USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot -47:sc= 1.17 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -1.62! K(o=-0.45!,f=0.46) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -131:sc= 0.0507 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.738 K(o=0.79,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.365 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 2.52 (180deg=2.46) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0.621 (180deg=0.0825) USER MOD Single : A 40 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.44) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 73:sc= 0.627 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.9 (180deg=1.46) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.181 X(o=0.18,f=-0.15) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -110:sc= 0.721 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 103 SER OG : rot -32:sc= 0.651 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0757 K(o=-0.076,f=-1.2) USER MOD Single : A 122 SER OG : rot -86:sc= 1.09 USER MOD Single : A 124 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 177:sc= 1.92 (180deg=1.92) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.314 9.214 6.865 1.00 0.00 N ATOM 187 CA SER A 9 -12.396 8.339 6.424 1.00 0.00 C ATOM 188 C SER A 9 -11.871 6.936 6.069 1.00 0.00 C ATOM 189 O SER A 9 -11.277 6.732 5.012 1.00 0.00 O ATOM 190 CB SER A 9 -13.090 9.045 5.246 1.00 0.00 C ATOM 191 OG SER A 9 -13.981 10.038 5.730 1.00 0.00 O ATOM 0 HA SER A 9 -13.121 8.170 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.344 9.501 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.636 8.317 4.646 1.00 0.00 H new ATOM 0 HG SER A 9 -14.417 10.483 4.974 1.00 0.00 H new ATOM 197 N VAL A 10 -12.043 5.960 6.968 1.00 0.00 N ATOM 198 CA VAL A 10 -11.500 4.587 6.839 1.00 0.00 C ATOM 199 C VAL A 10 -12.139 3.823 5.665 1.00 0.00 C ATOM 200 O VAL A 10 -13.333 3.972 5.394 1.00 0.00 O ATOM 201 CB VAL A 10 -11.646 3.812 8.168 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.081 2.387 8.093 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.897 4.517 9.309 1.00 0.00 C ATOM 0 H VAL A 10 -12.574 6.098 7.828 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.437 4.674 6.615 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.719 3.776 8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.212 1.893 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.609 1.826 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.020 2.429 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.019 3.948 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.838 4.585 9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.303 5.519 9.446 1.00 0.00 H new ATOM 213 N LEU A 11 -11.341 2.990 4.985 1.00 0.00 N ATOM 214 CA LEU A 11 -11.716 2.229 3.783 1.00 0.00 C ATOM 215 C LEU A 11 -11.444 0.723 3.937 1.00 0.00 C ATOM 216 O LEU A 11 -12.298 -0.091 3.584 1.00 0.00 O ATOM 217 CB LEU A 11 -10.955 2.784 2.559 1.00 0.00 C ATOM 218 CG LEU A 11 -11.289 4.225 2.133 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.463 4.581 0.895 1.00 0.00 C ATOM 220 CD2 LEU A 11 -12.766 4.407 1.780 1.00 0.00 C ATOM 0 H LEU A 11 -10.376 2.820 5.268 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.790 2.348 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.887 2.730 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.147 2.126 1.712 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.057 4.873 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.693 5.601 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.402 4.504 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.706 3.893 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.945 5.441 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.027 3.745 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.380 4.164 2.647 1.00 0.00 H new ATOM 232 N CYS A 12 -10.282 0.349 4.484 1.00 0.00 N ATOM 233 CA CYS A 12 -9.912 -1.039 4.782 1.00 0.00 C ATOM 234 C CYS A 12 -8.898 -1.101 5.926 1.00 0.00 C ATOM 235 O CYS A 12 -7.921 -0.353 5.938 1.00 0.00 O ATOM 236 CB CYS A 12 -9.322 -1.692 3.526 1.00 0.00 C ATOM 237 SG CYS A 12 -9.035 -3.464 3.790 1.00 0.00 S ATOM 0 H CYS A 12 -9.556 1.019 4.738 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.807 -1.579 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.001 -1.551 2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.384 -1.203 3.264 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.538 -3.989 2.709 1.00 0.00 H new ATOM 243 N VAL A 13 -9.106 -2.027 6.860 1.00 0.00 N ATOM 244 CA VAL A 13 -8.168 -2.342 7.945 1.00 0.00 C ATOM 245 C VAL A 13 -7.886 -3.847 7.955 1.00 0.00 C ATOM 246 O VAL A 13 -8.819 -4.650 8.019 1.00 0.00 O ATOM 247 CB VAL A 13 -8.703 -1.834 9.300 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.782 -2.198 10.473 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.857 -0.306 9.293 1.00 0.00 C ATOM 0 H VAL A 13 -9.952 -2.596 6.887 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.224 -1.825 7.773 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.668 -2.323 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.207 -1.816 11.401 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.685 -3.282 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.799 -1.755 10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.236 0.026 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.888 0.156 9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.557 -0.014 8.510 1.00 0.00 H new ATOM 259 N LYS A 14 -6.601 -4.226 7.901 1.00 0.00 N ATOM 260 CA LYS A 14 -6.116 -5.620 7.982 1.00 0.00 C ATOM 261 C LYS A 14 -5.008 -5.747 9.045 1.00 0.00 C ATOM 262 O LYS A 14 -4.090 -4.924 9.045 1.00 0.00 O ATOM 263 CB LYS A 14 -5.623 -6.135 6.611 1.00 0.00 C ATOM 264 CG LYS A 14 -6.668 -6.129 5.481 1.00 0.00 C ATOM 265 CD LYS A 14 -7.789 -7.155 5.691 1.00 0.00 C ATOM 266 CE LYS A 14 -8.750 -7.149 4.502 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.799 -8.185 4.661 1.00 0.00 N ATOM 0 H LYS A 14 -5.842 -3.552 7.796 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.958 -6.245 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.774 -5.527 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.256 -7.154 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.105 -5.133 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.170 -6.333 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.361 -8.150 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.333 -6.925 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.215 -6.167 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.195 -7.327 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.458 -8.138 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.356 -9.126 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.319 -8.019 5.546 1.00 0.00 H new ATOM 281 N PRO A 15 -5.043 -6.757 9.935 1.00 0.00 N ATOM 282 CA PRO A 15 -4.126 -6.854 11.079 1.00 0.00 C ATOM 283 C PRO A 15 -2.716 -7.373 10.750 1.00 0.00 C ATOM 284 O PRO A 15 -1.830 -7.291 11.601 1.00 0.00 O ATOM 285 CB PRO A 15 -4.820 -7.796 12.062 1.00 0.00 C ATOM 286 CG PRO A 15 -5.631 -8.715 11.151 1.00 0.00 C ATOM 287 CD PRO A 15 -6.075 -7.782 10.032 1.00 0.00 C ATOM 0 HA PRO A 15 -3.944 -5.854 11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.101 -8.355 12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.459 -7.252 12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.030 -9.542 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.482 -9.153 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.179 -8.322 9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.046 -7.339 10.254 1.00 0.00 H new ATOM 295 N ASP A 16 -2.494 -7.918 9.551 1.00 0.00 N ATOM 296 CA ASP A 16 -1.213 -8.497 9.131 1.00 0.00 C ATOM 297 C ASP A 16 -0.780 -7.936 7.769 1.00 0.00 C ATOM 298 O ASP A 16 -1.325 -8.305 6.724 1.00 0.00 O ATOM 299 CB ASP A 16 -1.313 -10.030 9.095 1.00 0.00 C ATOM 300 CG ASP A 16 -1.363 -10.646 10.503 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.293 -10.757 11.148 1.00 0.00 O ATOM 302 OD2 ASP A 16 -2.459 -11.056 10.953 1.00 0.00 O ATOM 0 H ASP A 16 -3.213 -7.971 8.830 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.449 -8.220 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.206 -10.320 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.458 -10.435 8.554 1.00 0.00 H new ATOM 307 N VAL A 17 0.225 -7.057 7.787 1.00 0.00 N ATOM 308 CA VAL A 17 0.928 -6.561 6.593 1.00 0.00 C ATOM 309 C VAL A 17 2.427 -6.410 6.876 1.00 0.00 C ATOM 310 O VAL A 17 2.834 -6.006 7.972 1.00 0.00 O ATOM 311 CB VAL A 17 0.278 -5.267 6.051 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.499 -4.036 6.936 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.766 -4.927 4.639 1.00 0.00 C ATOM 0 H VAL A 17 0.585 -6.658 8.654 1.00 0.00 H new ATOM 0 HA VAL A 17 0.830 -7.299 5.797 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.788 -5.494 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.012 -3.172 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.075 -4.217 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.568 -3.842 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.284 -4.011 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.847 -4.785 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.515 -5.743 3.961 1.00 0.00 H new ATOM 323 N SER A 18 3.251 -6.740 5.882 1.00 0.00 N ATOM 324 CA SER A 18 4.717 -6.756 5.988 1.00 0.00 C ATOM 325 C SER A 18 5.346 -5.872 4.916 1.00 0.00 C ATOM 326 O SER A 18 4.999 -6.005 3.743 1.00 0.00 O ATOM 327 CB SER A 18 5.243 -8.189 5.844 1.00 0.00 C ATOM 328 OG SER A 18 4.671 -9.047 6.821 1.00 0.00 O ATOM 0 H SER A 18 2.914 -7.010 4.958 1.00 0.00 H new ATOM 0 HA SER A 18 4.990 -6.367 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.013 -8.565 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.328 -8.193 5.944 1.00 0.00 H new ATOM 0 HG SER A 18 5.022 -9.955 6.705 1.00 0.00 H new ATOM 334 N VAL A 19 6.266 -4.984 5.303 1.00 0.00 N ATOM 335 CA VAL A 19 6.982 -4.068 4.398 1.00 0.00 C ATOM 336 C VAL A 19 8.310 -4.652 3.959 1.00 0.00 C ATOM 337 O VAL A 19 9.098 -5.128 4.777 1.00 0.00 O ATOM 338 CB VAL A 19 7.198 -2.676 5.020 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.095 -1.754 4.173 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.860 -1.956 5.178 1.00 0.00 C ATOM 0 H VAL A 19 6.544 -4.876 6.279 1.00 0.00 H new ATOM 0 HA VAL A 19 6.345 -3.944 3.523 1.00 0.00 H new ATOM 0 HB VAL A 19 7.686 -2.863 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.202 -0.791 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.077 -2.212 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.641 -1.605 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.026 -0.973 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.391 -1.841 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.207 -2.539 5.827 1.00 0.00 H new ATOM 350 N TYR A 20 8.591 -4.510 2.668 1.00 0.00 N ATOM 351 CA TYR A 20 9.892 -4.770 2.076 1.00 0.00 C ATOM 352 C TYR A 20 10.295 -3.587 1.192 1.00 0.00 C ATOM 353 O TYR A 20 9.573 -3.202 0.268 1.00 0.00 O ATOM 354 CB TYR A 20 9.891 -6.086 1.279 1.00 0.00 C ATOM 355 CG TYR A 20 8.815 -7.095 1.639 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.012 -8.007 2.692 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.608 -7.106 0.917 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.006 -8.938 3.018 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.601 -8.033 1.240 1.00 0.00 C ATOM 360 CZ TYR A 20 6.797 -8.953 2.291 1.00 0.00 C ATOM 361 OH TYR A 20 5.827 -9.862 2.587 1.00 0.00 O ATOM 0 H TYR A 20 7.897 -4.202 1.987 1.00 0.00 H new ATOM 0 HA TYR A 20 10.626 -4.882 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.791 -5.844 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.863 -6.563 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.936 -7.993 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.454 -6.401 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.160 -9.640 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.676 -8.040 0.682 1.00 0.00 H new ATOM 0 HH TYR A 20 5.870 -10.088 3.540 1.00 0.00 H new ATOM 371 N ARG A 21 11.473 -3.026 1.442 1.00 0.00 N ATOM 372 CA ARG A 21 12.160 -2.134 0.497 1.00 0.00 C ATOM 373 C ARG A 21 12.484 -2.906 -0.787 1.00 0.00 C ATOM 374 O ARG A 21 13.000 -4.024 -0.736 1.00 0.00 O ATOM 375 CB ARG A 21 13.425 -1.546 1.140 1.00 0.00 C ATOM 376 CG ARG A 21 13.089 -0.549 2.261 1.00 0.00 C ATOM 377 CD ARG A 21 14.383 0.017 2.848 1.00 0.00 C ATOM 378 NE ARG A 21 14.120 1.052 3.868 1.00 0.00 N ATOM 379 CZ ARG A 21 14.257 0.953 5.181 1.00 0.00 C ATOM 380 NH1 ARG A 21 14.098 2.007 5.929 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.547 -0.163 5.788 1.00 0.00 N ATOM 0 H ARG A 21 11.987 -3.174 2.310 1.00 0.00 H new ATOM 0 HA ARG A 21 11.509 -1.299 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.036 -2.354 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.021 -1.046 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.471 0.259 1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.510 -1.044 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.964 -0.791 3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.989 0.442 2.048 1.00 0.00 H new ATOM 0 HE ARG A 21 13.793 1.953 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.869 2.905 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.203 1.935 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.680 -1.018 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.641 -0.182 6.804 1.00 0.00 H new ATOM 395 N ILE A 22 12.150 -2.315 -1.933 1.00 0.00 N ATOM 396 CA ILE A 22 12.207 -2.971 -3.252 1.00 0.00 C ATOM 397 C ILE A 22 13.516 -2.664 -4.009 1.00 0.00 C ATOM 398 O ILE A 22 14.074 -1.573 -3.842 1.00 0.00 O ATOM 399 CB ILE A 22 10.958 -2.639 -4.106 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.820 -1.131 -4.416 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.690 -3.194 -3.435 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.613 -0.807 -5.301 1.00 0.00 C ATOM 0 H ILE A 22 11.825 -1.349 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 22 12.203 -4.045 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 22 11.089 -3.130 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.734 -0.580 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.728 -0.783 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.820 -2.953 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.775 -4.276 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.575 -2.746 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.572 0.267 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.708 -1.332 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.699 -1.126 -4.800 1.00 0.00 H new ATOM 532 N TYR A 31 7.822 -5.395 -11.141 1.00 0.00 N ATOM 533 CA TYR A 31 7.898 -5.967 -9.803 1.00 0.00 C ATOM 534 C TYR A 31 7.242 -7.350 -9.784 1.00 0.00 C ATOM 535 O TYR A 31 6.126 -7.496 -10.264 1.00 0.00 O ATOM 536 CB TYR A 31 7.180 -5.030 -8.831 1.00 0.00 C ATOM 537 CG TYR A 31 7.637 -3.583 -8.825 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.712 -2.572 -8.498 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.979 -3.245 -9.103 1.00 0.00 C ATOM 540 CE1 TYR A 31 7.133 -1.234 -8.400 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.410 -1.917 -8.950 1.00 0.00 C ATOM 542 CZ TYR A 31 8.487 -0.901 -8.618 1.00 0.00 C ATOM 543 OH TYR A 31 8.908 0.390 -8.520 1.00 0.00 O ATOM 0 HA TYR A 31 8.941 -6.079 -9.506 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.115 -5.051 -9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.296 -5.429 -7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.677 -2.825 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.672 -4.005 -9.432 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.419 -0.460 -8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.453 -1.672 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 31 9.870 0.435 -8.701 1.00 0.00 H new ATOM 553 N ARG A 32 7.889 -8.362 -9.205 1.00 0.00 N ATOM 554 CA ARG A 32 7.441 -9.774 -9.259 1.00 0.00 C ATOM 555 C ARG A 32 7.283 -10.449 -7.903 1.00 0.00 C ATOM 556 O ARG A 32 7.231 -11.672 -7.836 1.00 0.00 O ATOM 557 CB ARG A 32 8.279 -10.606 -10.259 1.00 0.00 C ATOM 558 CG ARG A 32 9.809 -10.550 -10.099 1.00 0.00 C ATOM 559 CD ARG A 32 10.416 -9.329 -10.809 1.00 0.00 C ATOM 560 NE ARG A 32 11.885 -9.323 -10.749 1.00 0.00 N ATOM 561 CZ ARG A 32 12.696 -8.414 -11.253 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.975 -8.566 -11.098 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.270 -7.357 -11.884 1.00 0.00 N ATOM 0 H ARG A 32 8.751 -8.233 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 32 6.422 -9.735 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.967 -11.647 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.031 -10.275 -11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.062 -10.517 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.250 -11.461 -10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.097 -9.322 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.032 -8.417 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 32 12.324 -10.106 -10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.335 -9.377 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.621 -7.875 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.269 -7.205 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.938 -6.682 -12.256 1.00 0.00 H new ATOM 577 N ALA A 33 7.188 -9.648 -6.843 1.00 0.00 N ATOM 578 CA ALA A 33 7.170 -10.022 -5.425 1.00 0.00 C ATOM 579 C ALA A 33 8.394 -10.831 -4.932 1.00 0.00 C ATOM 580 O ALA A 33 9.025 -10.454 -3.949 1.00 0.00 O ATOM 581 CB ALA A 33 5.830 -10.704 -5.150 1.00 0.00 C ATOM 0 H ALA A 33 7.116 -8.637 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 33 7.264 -9.114 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.780 -10.998 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.017 -10.013 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.736 -11.589 -5.779 1.00 0.00 H new ATOM 587 N SER A 34 8.784 -11.898 -5.632 1.00 0.00 N ATOM 588 CA SER A 34 9.877 -12.812 -5.272 1.00 0.00 C ATOM 589 C SER A 34 11.277 -12.183 -5.312 1.00 0.00 C ATOM 590 O SER A 34 12.213 -12.740 -4.736 1.00 0.00 O ATOM 591 CB SER A 34 9.850 -14.042 -6.187 1.00 0.00 C ATOM 592 OG SER A 34 8.605 -14.718 -6.079 1.00 0.00 O ATOM 0 H SER A 34 8.328 -12.163 -6.505 1.00 0.00 H new ATOM 0 HA SER A 34 9.697 -13.087 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.016 -13.737 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.662 -14.719 -5.920 1.00 0.00 H new ATOM 0 HG SER A 34 8.605 -15.499 -6.671 1.00 0.00 H new ATOM 598 N ASP A 35 11.435 -11.021 -5.957 1.00 0.00 N ATOM 599 CA ASP A 35 12.679 -10.234 -5.924 1.00 0.00 C ATOM 600 C ASP A 35 12.791 -9.314 -4.688 1.00 0.00 C ATOM 601 O ASP A 35 13.843 -8.713 -4.456 1.00 0.00 O ATOM 602 CB ASP A 35 12.839 -9.451 -7.241 1.00 0.00 C ATOM 603 CG ASP A 35 14.051 -9.946 -8.045 1.00 0.00 C ATOM 604 OD1 ASP A 35 15.207 -9.706 -7.629 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.846 -10.551 -9.126 1.00 0.00 O ATOM 0 H ASP A 35 10.700 -10.595 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 35 13.506 -10.938 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.935 -9.557 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.954 -8.389 -7.023 1.00 0.00 H new ATOM 610 N TRP A 36 11.728 -9.193 -3.884 1.00 0.00 N ATOM 611 CA TRP A 36 11.702 -8.431 -2.639 1.00 0.00 C ATOM 612 C TRP A 36 12.154 -9.306 -1.453 1.00 0.00 C ATOM 613 O TRP A 36 12.308 -10.526 -1.563 1.00 0.00 O ATOM 614 CB TRP A 36 10.287 -7.872 -2.415 1.00 0.00 C ATOM 615 CG TRP A 36 9.589 -7.137 -3.532 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.115 -6.694 -4.702 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.190 -6.718 -3.555 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.148 -6.019 -5.430 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.962 -5.955 -4.738 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.095 -6.888 -2.680 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.738 -5.334 -5.004 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.856 -6.273 -2.939 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.680 -5.496 -4.095 1.00 0.00 C ATOM 0 H TRP A 36 10.835 -9.639 -4.093 1.00 0.00 H new ATOM 0 HA TRP A 36 12.401 -7.598 -2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.649 -8.707 -2.126 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.335 -7.197 -1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.136 -6.845 -5.019 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.297 -5.622 -6.358 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.210 -7.500 -1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.608 -4.738 -5.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.037 -6.399 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.729 -5.022 -4.286 1.00 0.00 H new ATOM 634 N LYS A 37 12.341 -8.684 -0.286 1.00 0.00 N ATOM 635 CA LYS A 37 12.827 -9.326 0.954 1.00 0.00 C ATOM 636 C LYS A 37 11.749 -10.106 1.719 1.00 0.00 C ATOM 637 O LYS A 37 11.546 -9.901 2.915 1.00 0.00 O ATOM 638 CB LYS A 37 13.521 -8.290 1.844 1.00 0.00 C ATOM 639 CG LYS A 37 14.825 -7.764 1.237 1.00 0.00 C ATOM 640 CD LYS A 37 15.640 -6.955 2.250 1.00 0.00 C ATOM 641 CE LYS A 37 14.791 -5.885 2.944 1.00 0.00 C ATOM 642 NZ LYS A 37 15.613 -4.977 3.784 1.00 0.00 N ATOM 0 H LYS A 37 12.155 -7.688 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 37 13.552 -10.082 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.843 -7.454 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.732 -8.736 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.422 -8.602 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.598 -7.140 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.059 -7.628 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.480 -6.479 1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.260 -5.301 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.036 -6.368 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.083 -4.102 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.837 -5.445 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.496 -4.747 3.285 1.00 0.00 H new ATOM 656 N LEU A 38 11.078 -11.036 1.046 1.00 0.00 N ATOM 657 CA LEU A 38 9.928 -11.784 1.585 1.00 0.00 C ATOM 658 C LEU A 38 10.232 -12.628 2.840 1.00 0.00 C ATOM 659 O LEU A 38 9.306 -13.022 3.549 1.00 0.00 O ATOM 660 CB LEU A 38 9.333 -12.685 0.490 1.00 0.00 C ATOM 661 CG LEU A 38 8.923 -11.966 -0.806 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.218 -12.971 -1.721 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.987 -10.784 -0.561 1.00 0.00 C ATOM 0 H LEU A 38 11.317 -11.302 0.091 1.00 0.00 H new ATOM 0 HA LEU A 38 9.213 -11.026 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.062 -13.456 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.458 -13.192 0.896 1.00 0.00 H new ATOM 0 HG LEU A 38 9.831 -11.572 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.921 -12.475 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.897 -13.792 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.333 -13.362 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.733 -10.317 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.077 -11.135 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.482 -10.055 0.080 1.00 0.00 H new ATOM 675 N ASP A 39 11.511 -12.891 3.130 1.00 0.00 N ATOM 676 CA ASP A 39 11.961 -13.654 4.306 1.00 0.00 C ATOM 677 C ASP A 39 12.577 -12.759 5.406 1.00 0.00 C ATOM 678 O ASP A 39 12.890 -13.238 6.498 1.00 0.00 O ATOM 679 CB ASP A 39 12.906 -14.772 3.835 1.00 0.00 C ATOM 680 CG ASP A 39 13.173 -15.835 4.919 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.198 -16.421 5.450 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.358 -16.143 5.199 1.00 0.00 O ATOM 0 H ASP A 39 12.282 -12.573 2.542 1.00 0.00 H new ATOM 0 HA ASP A 39 11.095 -14.107 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.477 -15.256 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.854 -14.332 3.525 1.00 0.00 H new ATOM 687 N GLN A 40 12.719 -11.451 5.142 1.00 0.00 N ATOM 688 CA GLN A 40 13.210 -10.454 6.106 1.00 0.00 C ATOM 689 C GLN A 40 12.575 -9.060 5.874 1.00 0.00 C ATOM 690 O GLN A 40 13.204 -8.190 5.261 1.00 0.00 O ATOM 691 CB GLN A 40 14.759 -10.421 6.156 1.00 0.00 C ATOM 692 CG GLN A 40 15.548 -10.373 4.834 1.00 0.00 C ATOM 693 CD GLN A 40 15.590 -11.698 4.070 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.848 -12.763 4.614 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.367 -11.688 2.772 1.00 0.00 N ATOM 0 H GLN A 40 12.491 -11.048 4.233 1.00 0.00 H new ATOM 0 HA GLN A 40 12.882 -10.766 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.051 -9.552 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.089 -11.303 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.108 -9.611 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.570 -10.059 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.150 -10.811 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.411 -12.557 2.240 1.00 0.00 H new ATOM 704 N PRO A 41 11.341 -8.818 6.371 1.00 0.00 N ATOM 705 CA PRO A 41 10.693 -7.506 6.316 1.00 0.00 C ATOM 706 C PRO A 41 11.541 -6.395 6.947 1.00 0.00 C ATOM 707 O PRO A 41 12.206 -6.593 7.967 1.00 0.00 O ATOM 708 CB PRO A 41 9.352 -7.646 7.054 1.00 0.00 C ATOM 709 CG PRO A 41 9.058 -9.142 6.964 1.00 0.00 C ATOM 710 CD PRO A 41 10.446 -9.779 7.002 1.00 0.00 C ATOM 0 HA PRO A 41 10.555 -7.212 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.425 -7.312 8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.569 -7.053 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.438 -9.480 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.526 -9.392 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.754 -9.985 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.455 -10.730 6.469 1.00 0.00 H new ATOM 718 N ASP A 42 11.457 -5.195 6.377 1.00 0.00 N ATOM 719 CA ASP A 42 11.988 -3.968 6.977 1.00 0.00 C ATOM 720 C ASP A 42 11.138 -3.522 8.182 1.00 0.00 C ATOM 721 O ASP A 42 11.660 -2.927 9.129 1.00 0.00 O ATOM 722 CB ASP A 42 12.030 -2.870 5.907 1.00 0.00 C ATOM 723 CG ASP A 42 13.053 -3.190 4.818 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.235 -2.795 4.947 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.692 -3.847 3.820 1.00 0.00 O ATOM 0 H ASP A 42 11.012 -5.043 5.472 1.00 0.00 H new ATOM 0 HA ASP A 42 12.996 -4.159 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.043 -2.759 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.278 -1.916 6.372 1.00 0.00 H new ATOM 730 N TRP A 43 9.838 -3.840 8.156 1.00 0.00 N ATOM 731 CA TRP A 43 8.867 -3.595 9.232 1.00 0.00 C ATOM 732 C TRP A 43 7.638 -4.511 9.083 1.00 0.00 C ATOM 733 O TRP A 43 7.305 -4.934 7.974 1.00 0.00 O ATOM 734 CB TRP A 43 8.464 -2.110 9.189 1.00 0.00 C ATOM 735 CG TRP A 43 7.314 -1.689 10.052 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.390 -1.147 11.289 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.897 -1.708 9.713 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.121 -0.805 11.722 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.166 -1.085 10.767 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.163 -2.179 8.605 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.781 -0.873 10.688 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.777 -1.959 8.515 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.084 -1.306 9.550 1.00 0.00 C ATOM 0 H TRP A 43 9.414 -4.296 7.348 1.00 0.00 H new ATOM 0 HA TRP A 43 9.317 -3.824 10.198 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.333 -1.515 9.470 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.224 -1.855 8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.301 -1.003 11.852 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.917 -0.397 12.634 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.671 -2.715 7.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.257 -0.382 11.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.239 -2.295 7.641 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.020 -1.139 9.469 1.00 0.00 H new ATOM 754 N THR A 44 6.935 -4.791 10.186 1.00 0.00 N ATOM 755 CA THR A 44 5.638 -5.496 10.200 1.00 0.00 C ATOM 756 C THR A 44 4.619 -4.799 11.098 1.00 0.00 C ATOM 757 O THR A 44 4.952 -4.305 12.182 1.00 0.00 O ATOM 758 CB THR A 44 5.760 -6.964 10.642 1.00 0.00 C ATOM 759 OG1 THR A 44 6.444 -7.078 11.876 1.00 0.00 O ATOM 760 CG2 THR A 44 6.494 -7.809 9.609 1.00 0.00 C ATOM 0 H THR A 44 7.255 -4.530 11.118 1.00 0.00 H new ATOM 0 HA THR A 44 5.292 -5.472 9.167 1.00 0.00 H new ATOM 0 HB THR A 44 4.740 -7.332 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.504 -8.022 12.131 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.558 -8.839 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.951 -7.781 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.499 -7.412 9.462 1.00 0.00 H new ATOM 768 N GLY A 45 3.356 -4.792 10.666 1.00 0.00 N ATOM 769 CA GLY A 45 2.265 -4.128 11.378 1.00 0.00 C ATOM 770 C GLY A 45 0.888 -4.366 10.772 1.00 0.00 C ATOM 771 O GLY A 45 0.614 -5.434 10.219 1.00 0.00 O ATOM 0 H GLY A 45 3.061 -5.251 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.259 -4.472 12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.460 -3.056 11.400 1.00 0.00 H new ATOM 775 N ARG A 46 0.017 -3.363 10.909 1.00 0.00 N ATOM 776 CA ARG A 46 -1.369 -3.360 10.428 1.00 0.00 C ATOM 777 C ARG A 46 -1.540 -2.380 9.268 1.00 0.00 C ATOM 778 O ARG A 46 -0.945 -1.300 9.247 1.00 0.00 O ATOM 779 CB ARG A 46 -2.350 -3.026 11.567 1.00 0.00 C ATOM 780 CG ARG A 46 -2.163 -3.858 12.848 1.00 0.00 C ATOM 781 CD ARG A 46 -3.356 -3.634 13.789 1.00 0.00 C ATOM 782 NE ARG A 46 -3.195 -4.325 15.084 1.00 0.00 N ATOM 783 CZ ARG A 46 -4.015 -4.256 16.119 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.680 -4.783 17.259 1.00 0.00 N ATOM 785 NH2 ARG A 46 -5.174 -3.661 16.048 1.00 0.00 N ATOM 0 H ARG A 46 0.268 -2.493 11.378 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.598 -4.363 10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.246 -1.970 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.368 -3.169 11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.079 -4.915 12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.236 -3.573 13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.480 -2.565 13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.267 -3.985 13.305 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.369 -4.914 15.191 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.780 -5.253 17.359 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.317 -4.726 18.054 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.473 -3.230 15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.781 -3.627 16.867 1.00 0.00 H new ATOM 799 N LEU A 47 -2.395 -2.754 8.324 1.00 0.00 N ATOM 800 CA LEU A 47 -2.891 -1.896 7.252 1.00 0.00 C ATOM 801 C LEU A 47 -4.055 -1.050 7.776 1.00 0.00 C ATOM 802 O LEU A 47 -4.967 -1.593 8.404 1.00 0.00 O ATOM 803 CB LEU A 47 -3.369 -2.805 6.108 1.00 0.00 C ATOM 804 CG LEU A 47 -3.959 -2.066 4.894 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.868 -1.400 4.055 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.723 -3.068 4.037 1.00 0.00 C ATOM 0 H LEU A 47 -2.777 -3.699 8.281 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.109 -1.226 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.529 -3.413 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.122 -3.490 6.498 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.624 -1.281 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.323 -0.888 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.328 -0.678 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.175 -2.158 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.147 -2.558 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.044 -3.851 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.525 -3.513 4.625 1.00 0.00 H new ATOM 818 N ARG A 48 -4.076 0.240 7.439 1.00 0.00 N ATOM 819 CA ARG A 48 -5.233 1.128 7.612 1.00 0.00 C ATOM 820 C ARG A 48 -5.336 2.087 6.427 1.00 0.00 C ATOM 821 O ARG A 48 -4.813 3.201 6.433 1.00 0.00 O ATOM 822 CB ARG A 48 -5.147 1.813 8.989 1.00 0.00 C ATOM 823 CG ARG A 48 -6.287 2.813 9.243 1.00 0.00 C ATOM 824 CD ARG A 48 -6.468 3.079 10.743 1.00 0.00 C ATOM 825 NE ARG A 48 -7.337 4.247 10.984 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.968 5.516 10.944 1.00 0.00 C ATOM 827 NH1 ARG A 48 -7.839 6.471 11.051 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.742 5.914 10.784 1.00 0.00 N ATOM 0 H ARG A 48 -3.270 0.711 7.028 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.167 0.565 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.162 1.051 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.192 2.333 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.074 3.750 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.216 2.424 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.899 2.199 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.495 3.247 11.204 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.315 4.057 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.828 6.249 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.535 7.444 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.993 5.229 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.528 6.911 10.763 1.00 0.00 H new ATOM 842 N ILE A 49 -6.036 1.637 5.387 1.00 0.00 N ATOM 843 CA ILE A 49 -6.423 2.492 4.266 1.00 0.00 C ATOM 844 C ILE A 49 -7.487 3.465 4.773 1.00 0.00 C ATOM 845 O ILE A 49 -8.537 3.064 5.281 1.00 0.00 O ATOM 846 CB ILE A 49 -6.917 1.705 3.034 1.00 0.00 C ATOM 847 CG1 ILE A 49 -5.988 0.519 2.712 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.026 2.653 1.825 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.408 -0.243 1.457 1.00 0.00 C ATOM 0 H ILE A 49 -6.351 0.671 5.298 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.542 3.029 3.914 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.901 1.294 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.970 0.886 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.975 -0.166 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.375 2.096 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.732 3.452 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.048 3.084 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.715 -1.066 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.415 -0.638 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.394 0.431 0.600 1.00 0.00 H new ATOM 861 N THR A 50 -7.186 4.744 4.633 1.00 0.00 N ATOM 862 CA THR A 50 -8.011 5.901 4.973 1.00 0.00 C ATOM 863 C THR A 50 -8.223 6.762 3.727 1.00 0.00 C ATOM 864 O THR A 50 -7.777 6.435 2.628 1.00 0.00 O ATOM 865 CB THR A 50 -7.386 6.699 6.139 1.00 0.00 C ATOM 866 OG1 THR A 50 -5.978 6.645 6.175 1.00 0.00 O ATOM 867 CG2 THR A 50 -7.897 6.182 7.477 1.00 0.00 C ATOM 0 H THR A 50 -6.286 5.028 4.247 1.00 0.00 H new ATOM 0 HA THR A 50 -8.988 5.563 5.317 1.00 0.00 H new ATOM 0 HB THR A 50 -7.685 7.733 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.650 7.171 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.445 6.757 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.981 6.288 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.631 5.131 7.586 1.00 0.00 H new ATOM 875 N SER A 51 -8.954 7.857 3.874 1.00 0.00 N ATOM 876 CA SER A 51 -9.257 8.847 2.853 1.00 0.00 C ATOM 877 C SER A 51 -9.706 10.126 3.540 1.00 0.00 C ATOM 878 O SER A 51 -9.900 10.144 4.755 1.00 0.00 O ATOM 879 CB SER A 51 -10.353 8.327 1.921 1.00 0.00 C ATOM 880 OG SER A 51 -11.558 8.042 2.604 1.00 0.00 O ATOM 0 H SER A 51 -9.380 8.092 4.771 1.00 0.00 H new ATOM 0 HA SER A 51 -8.370 9.045 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.546 9.067 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.001 7.425 1.421 1.00 0.00 H new ATOM 0 HG SER A 51 -11.362 7.521 3.411 1.00 0.00 H new ATOM 886 N LYS A 52 -9.858 11.209 2.787 1.00 0.00 N ATOM 887 CA LYS A 52 -10.547 12.409 3.261 1.00 0.00 C ATOM 888 C LYS A 52 -11.417 12.995 2.133 1.00 0.00 C ATOM 889 O LYS A 52 -12.426 12.390 1.774 1.00 0.00 O ATOM 890 CB LYS A 52 -9.570 13.398 3.921 1.00 0.00 C ATOM 891 CG LYS A 52 -8.795 12.948 5.177 1.00 0.00 C ATOM 892 CD LYS A 52 -7.727 13.981 5.552 1.00 0.00 C ATOM 893 CE LYS A 52 -6.784 13.388 6.601 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.814 14.395 7.107 1.00 0.00 N ATOM 0 H LYS A 52 -9.509 11.283 1.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.238 12.150 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.838 13.691 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.133 14.293 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.487 12.814 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.325 11.982 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.163 14.274 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.200 14.882 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.368 12.996 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.242 12.547 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.193 13.954 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.239 14.751 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.330 15.186 7.543 1.00 0.00 H new ATOM 908 N GLY A 53 -11.024 14.128 1.542 1.00 0.00 N ATOM 909 CA GLY A 53 -11.719 14.782 0.420 1.00 0.00 C ATOM 910 C GLY A 53 -11.083 14.458 -0.936 1.00 0.00 C ATOM 911 O GLY A 53 -10.002 14.965 -1.244 1.00 0.00 O ATOM 0 H GLY A 53 -10.189 14.633 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.763 14.469 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.711 15.861 0.572 1.00 0.00 H new ATOM 915 N LYS A 54 -11.743 13.605 -1.737 1.00 0.00 N ATOM 916 CA LYS A 54 -11.329 13.156 -3.093 1.00 0.00 C ATOM 917 C LYS A 54 -9.888 12.621 -3.160 1.00 0.00 C ATOM 918 O LYS A 54 -9.216 12.710 -4.187 1.00 0.00 O ATOM 919 CB LYS A 54 -11.624 14.242 -4.149 1.00 0.00 C ATOM 920 CG LYS A 54 -13.117 14.587 -4.247 1.00 0.00 C ATOM 921 CD LYS A 54 -13.365 15.660 -5.313 1.00 0.00 C ATOM 922 CE LYS A 54 -14.854 16.023 -5.342 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.142 17.079 -6.346 1.00 0.00 N ATOM 0 H LYS A 54 -12.626 13.184 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.944 12.289 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.063 15.143 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.270 13.902 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.686 13.690 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.476 14.940 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.769 16.546 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.050 15.295 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.441 15.134 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.165 16.365 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.159 17.298 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.601 17.936 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.869 16.743 -7.291 1.00 0.00 H new ATOM 937 N THR A 55 -9.422 12.075 -2.038 1.00 0.00 N ATOM 938 CA THR A 55 -8.045 11.639 -1.796 1.00 0.00 C ATOM 939 C THR A 55 -8.073 10.443 -0.849 1.00 0.00 C ATOM 940 O THR A 55 -8.732 10.510 0.193 1.00 0.00 O ATOM 941 CB THR A 55 -7.226 12.777 -1.153 1.00 0.00 C ATOM 942 OG1 THR A 55 -7.314 13.978 -1.892 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.743 12.435 -1.077 1.00 0.00 C ATOM 0 H THR A 55 -10.025 11.916 -1.231 1.00 0.00 H new ATOM 0 HA THR A 55 -7.581 11.366 -2.743 1.00 0.00 H new ATOM 0 HB THR A 55 -7.651 12.903 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.202 14.374 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.202 13.262 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.607 11.535 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.357 12.262 -2.082 1.00 0.00 H new ATOM 951 N ALA A 56 -7.363 9.369 -1.188 1.00 0.00 N ATOM 952 CA ALA A 56 -7.135 8.207 -0.330 1.00 0.00 C ATOM 953 C ALA A 56 -5.738 8.265 0.314 1.00 0.00 C ATOM 954 O ALA A 56 -4.845 8.950 -0.181 1.00 0.00 O ATOM 955 CB ALA A 56 -7.371 6.921 -1.131 1.00 0.00 C ATOM 0 H ALA A 56 -6.915 9.280 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.848 8.215 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.200 6.056 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.397 6.904 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.683 6.887 -1.976 1.00 0.00 H new ATOM 961 N TYR A 57 -5.541 7.537 1.410 1.00 0.00 N ATOM 962 CA TYR A 57 -4.283 7.442 2.154 1.00 0.00 C ATOM 963 C TYR A 57 -4.037 5.985 2.576 1.00 0.00 C ATOM 964 O TYR A 57 -4.743 5.459 3.434 1.00 0.00 O ATOM 965 CB TYR A 57 -4.332 8.367 3.387 1.00 0.00 C ATOM 966 CG TYR A 57 -4.687 9.818 3.105 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.998 10.284 3.335 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.712 10.702 2.609 1.00 0.00 C ATOM 969 CE1 TYR A 57 -6.352 11.605 3.013 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.053 12.036 2.314 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.377 12.489 2.499 1.00 0.00 C ATOM 972 OH TYR A 57 -5.696 13.775 2.192 1.00 0.00 O ATOM 0 H TYR A 57 -6.283 6.973 1.823 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.459 7.762 1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.059 7.964 4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.360 8.338 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.735 9.620 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.700 10.357 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.367 11.944 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.299 12.715 1.945 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.901 14.237 1.852 1.00 0.00 H new ATOM 982 N ILE A 58 -3.028 5.312 2.019 1.00 0.00 N ATOM 983 CA ILE A 58 -2.600 3.995 2.522 1.00 0.00 C ATOM 984 C ILE A 58 -1.687 4.252 3.719 1.00 0.00 C ATOM 985 O ILE A 58 -0.512 4.575 3.535 1.00 0.00 O ATOM 986 CB ILE A 58 -1.937 3.116 1.431 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.890 2.703 0.284 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.393 1.815 2.055 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.240 3.823 -0.699 1.00 0.00 C ATOM 0 H ILE A 58 -2.490 5.652 1.222 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.467 3.411 2.830 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.147 3.738 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.434 1.883 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.813 2.319 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.930 1.205 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.652 2.059 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.213 1.260 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.912 3.437 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.729 4.637 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.328 4.193 -1.168 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.232 4.155 4.938 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.459 4.288 6.180 1.00 0.00 C ATOM 1003 C LYS A 59 -1.128 2.927 6.792 1.00 0.00 C ATOM 1004 O LYS A 59 -1.944 2.004 6.794 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.150 5.244 7.169 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.422 6.609 6.515 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.645 7.722 7.544 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.815 9.060 6.816 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.754 10.206 7.756 1.00 0.00 N ATOM 0 H LYS A 59 -3.225 3.981 5.092 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.500 4.743 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.088 4.806 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.523 5.377 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.581 6.875 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.300 6.532 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.529 7.506 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.799 7.773 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.035 9.166 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.770 9.070 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.559 10.841 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.794 9.855 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.865 10.727 7.611 1.00 0.00 H new ATOM 1023 N LEU A 60 0.094 2.814 7.302 1.00 0.00 N ATOM 1024 CA LEU A 60 0.650 1.641 7.977 1.00 0.00 C ATOM 1025 C LEU A 60 0.909 1.966 9.452 1.00 0.00 C ATOM 1026 O LEU A 60 1.566 2.962 9.760 1.00 0.00 O ATOM 1027 CB LEU A 60 1.941 1.223 7.254 1.00 0.00 C ATOM 1028 CG LEU A 60 1.757 0.090 6.234 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.716 0.366 5.148 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.090 -0.151 5.537 1.00 0.00 C ATOM 0 H LEU A 60 0.764 3.582 7.254 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.054 0.810 7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.355 2.092 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.675 0.911 7.997 1.00 0.00 H new ATOM 0 HG LEU A 60 1.402 -0.769 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.656 -0.490 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.257 0.532 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.006 1.252 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.979 -0.953 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.405 0.760 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.841 -0.433 6.275 1.00 0.00 H new ATOM 1042 N GLU A 61 0.401 1.136 10.363 1.00 0.00 N ATOM 1043 CA GLU A 61 0.381 1.414 11.808 1.00 0.00 C ATOM 1044 C GLU A 61 0.841 0.203 12.637 1.00 0.00 C ATOM 1045 O GLU A 61 0.608 -0.943 12.249 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.021 1.885 12.234 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.355 3.288 11.692 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.803 3.732 11.987 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.372 4.489 11.163 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.381 3.347 13.032 1.00 0.00 O ATOM 0 H GLU A 61 -0.015 0.237 10.119 1.00 0.00 H new ATOM 0 HA GLU A 61 1.095 2.214 12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.765 1.173 11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.084 1.894 13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.666 4.011 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.192 3.301 10.614 1.00 0.00 H new ATOM 1057 N ASP A 62 1.509 0.421 13.777 1.00 0.00 N ATOM 1058 CA ASP A 62 2.038 -0.674 14.593 1.00 0.00 C ATOM 1059 C ASP A 62 0.927 -1.533 15.212 1.00 0.00 C ATOM 1060 O ASP A 62 -0.106 -1.033 15.663 1.00 0.00 O ATOM 1061 CB ASP A 62 2.980 -0.172 15.684 1.00 0.00 C ATOM 1062 CG ASP A 62 3.544 -1.360 16.468 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.313 -2.162 15.886 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.076 -1.568 17.608 1.00 0.00 O ATOM 0 H ASP A 62 1.695 1.350 14.154 1.00 0.00 H new ATOM 0 HA ASP A 62 2.608 -1.304 13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.793 0.401 15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.447 0.500 16.357 1.00 0.00 H new ATOM 1069 N LYS A 63 1.180 -2.840 15.291 1.00 0.00 N ATOM 1070 CA LYS A 63 0.210 -3.846 15.724 1.00 0.00 C ATOM 1071 C LYS A 63 0.041 -4.011 17.235 1.00 0.00 C ATOM 1072 O LYS A 63 -0.846 -4.759 17.650 1.00 0.00 O ATOM 1073 CB LYS A 63 0.430 -5.179 14.969 1.00 0.00 C ATOM 1074 CG LYS A 63 1.698 -5.956 15.362 1.00 0.00 C ATOM 1075 CD LYS A 63 2.994 -5.475 14.679 1.00 0.00 C ATOM 1076 CE LYS A 63 4.256 -5.631 15.533 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.306 -4.680 15.079 1.00 0.00 N ATOM 0 H LYS A 63 2.088 -3.238 15.050 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.765 -3.451 15.437 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.436 -5.820 15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.469 -4.970 13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.827 -5.888 16.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.549 -7.009 15.124 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.128 -6.030 13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.880 -4.425 14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.019 -5.449 16.581 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.627 -6.654 15.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.234 -4.997 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.317 -4.645 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.102 -3.732 15.455 1.00 0.00 H new ATOM 1091 N VAL A 64 0.827 -3.295 18.040 1.00 0.00 N ATOM 1092 CA VAL A 64 0.703 -3.236 19.505 1.00 0.00 C ATOM 1093 C VAL A 64 0.342 -1.825 19.979 1.00 0.00 C ATOM 1094 O VAL A 64 -0.529 -1.680 20.840 1.00 0.00 O ATOM 1095 CB VAL A 64 2.005 -3.715 20.182 1.00 0.00 C ATOM 1096 CG1 VAL A 64 1.859 -3.800 21.708 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.436 -5.103 19.685 1.00 0.00 C ATOM 0 H VAL A 64 1.592 -2.721 17.684 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.108 -3.905 19.795 1.00 0.00 H new ATOM 0 HB VAL A 64 2.758 -2.973 19.917 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.798 -4.141 22.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.610 -2.816 22.105 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.065 -4.504 21.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.356 -5.400 20.188 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.652 -5.828 19.905 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.606 -5.068 18.609 1.00 0.00 H new ATOM 1107 N SER A 65 0.967 -0.790 19.406 1.00 0.00 N ATOM 1108 CA SER A 65 0.880 0.594 19.905 1.00 0.00 C ATOM 1109 C SER A 65 0.211 1.579 18.935 1.00 0.00 C ATOM 1110 O SER A 65 -0.028 2.731 19.301 1.00 0.00 O ATOM 1111 CB SER A 65 2.277 1.077 20.311 1.00 0.00 C ATOM 1112 OG SER A 65 2.737 0.359 21.447 1.00 0.00 O ATOM 0 H SER A 65 1.553 -0.886 18.576 1.00 0.00 H new ATOM 0 HA SER A 65 0.222 0.573 20.773 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.971 0.942 19.482 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.250 2.144 20.533 1.00 0.00 H new ATOM 0 HG SER A 65 3.631 0.676 21.695 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.110 1.151 17.707 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.825 1.971 16.712 1.00 0.00 C ATOM 1120 C GLY A 66 0.027 3.083 16.085 1.00 0.00 C ATOM 1121 O GLY A 66 -0.501 4.036 15.513 1.00 0.00 O ATOM 0 H GLY A 66 0.121 0.216 17.370 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.194 1.320 15.919 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.697 2.421 17.187 1.00 0.00 H new ATOM 1125 N GLU A 67 1.350 2.983 16.221 1.00 0.00 N ATOM 1126 CA GLU A 67 2.329 3.985 15.789 1.00 0.00 C ATOM 1127 C GLU A 67 2.357 4.110 14.262 1.00 0.00 C ATOM 1128 O GLU A 67 2.549 3.106 13.576 1.00 0.00 O ATOM 1129 CB GLU A 67 3.728 3.586 16.281 1.00 0.00 C ATOM 1130 CG GLU A 67 3.787 3.373 17.792 1.00 0.00 C ATOM 1131 CD GLU A 67 5.242 3.255 18.285 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.812 2.138 18.252 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.825 4.281 18.714 1.00 0.00 O ATOM 0 H GLU A 67 1.788 2.169 16.653 1.00 0.00 H new ATOM 0 HA GLU A 67 2.038 4.945 16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.037 2.670 15.777 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.441 4.361 16.000 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.296 4.204 18.298 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.237 2.470 18.056 1.00 0.00 H new ATOM 1140 N LEU A 68 2.204 5.320 13.718 1.00 0.00 N ATOM 1141 CA LEU A 68 2.239 5.551 12.269 1.00 0.00 C ATOM 1142 C LEU A 68 3.657 5.307 11.720 1.00 0.00 C ATOM 1143 O LEU A 68 4.579 6.086 11.977 1.00 0.00 O ATOM 1144 CB LEU A 68 1.716 6.970 11.964 1.00 0.00 C ATOM 1145 CG LEU A 68 1.670 7.333 10.464 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.685 6.467 9.680 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.240 8.790 10.294 1.00 0.00 C ATOM 0 H LEU A 68 2.053 6.166 14.267 1.00 0.00 H new ATOM 0 HA LEU A 68 1.585 4.843 11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.713 7.070 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.347 7.694 12.480 1.00 0.00 H new ATOM 0 HG LEU A 68 2.674 7.163 10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.693 6.765 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.976 5.420 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.318 6.598 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.210 9.039 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.250 8.930 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.953 9.441 10.799 1.00 0.00 H new ATOM 1159 N PHE A 69 3.825 4.229 10.952 1.00 0.00 N ATOM 1160 CA PHE A 69 5.078 3.873 10.284 1.00 0.00 C ATOM 1161 C PHE A 69 5.275 4.699 9.006 1.00 0.00 C ATOM 1162 O PHE A 69 6.316 5.337 8.830 1.00 0.00 O ATOM 1163 CB PHE A 69 5.084 2.363 9.989 1.00 0.00 C ATOM 1164 CG PHE A 69 6.196 1.920 9.055 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.529 1.889 9.511 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.911 1.594 7.715 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.570 1.539 8.631 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.956 1.271 6.831 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.284 1.235 7.289 1.00 0.00 C ATOM 0 H PHE A 69 3.074 3.562 10.773 1.00 0.00 H new ATOM 0 HA PHE A 69 5.916 4.104 10.942 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.176 1.820 10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.125 2.085 9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.752 2.135 10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.889 1.592 7.366 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.589 1.504 8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.737 1.050 5.797 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.083 0.974 6.611 1.00 0.00 H new ATOM 1179 N ALA A 70 4.264 4.708 8.130 1.00 0.00 N ATOM 1180 CA ALA A 70 4.281 5.423 6.856 1.00 0.00 C ATOM 1181 C ALA A 70 2.859 5.699 6.329 1.00 0.00 C ATOM 1182 O ALA A 70 1.893 5.051 6.740 1.00 0.00 O ATOM 1183 CB ALA A 70 5.084 4.599 5.841 1.00 0.00 C ATOM 0 H ALA A 70 3.392 4.205 8.294 1.00 0.00 H new ATOM 0 HA ALA A 70 4.752 6.394 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.105 5.121 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.103 4.466 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.615 3.624 5.712 1.00 0.00 H new ATOM 1189 N GLN A 71 2.745 6.644 5.394 1.00 0.00 N ATOM 1190 CA GLN A 71 1.491 7.035 4.740 1.00 0.00 C ATOM 1191 C GLN A 71 1.708 7.364 3.252 1.00 0.00 C ATOM 1192 O GLN A 71 2.626 8.109 2.921 1.00 0.00 O ATOM 1193 CB GLN A 71 0.861 8.229 5.483 1.00 0.00 C ATOM 1194 CG GLN A 71 1.851 9.362 5.813 1.00 0.00 C ATOM 1195 CD GLN A 71 1.177 10.725 5.917 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.150 10.903 6.563 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.730 11.728 5.269 1.00 0.00 N ATOM 0 H GLN A 71 3.548 7.177 5.059 1.00 0.00 H new ATOM 0 HA GLN A 71 0.804 6.190 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.052 8.634 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.414 7.871 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.352 9.137 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.621 9.401 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.584 11.579 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.304 12.654 5.304 1.00 0.00 H new ATOM 1206 N ALA A 72 0.859 6.853 2.357 1.00 0.00 N ATOM 1207 CA ALA A 72 0.888 7.140 0.917 1.00 0.00 C ATOM 1208 C ALA A 72 -0.426 7.801 0.441 1.00 0.00 C ATOM 1209 O ALA A 72 -1.427 7.097 0.273 1.00 0.00 O ATOM 1210 CB ALA A 72 1.202 5.842 0.160 1.00 0.00 C ATOM 0 H ALA A 72 0.111 6.211 2.619 1.00 0.00 H new ATOM 0 HA ALA A 72 1.674 7.865 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.226 6.042 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.171 5.460 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.432 5.101 0.373 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.448 9.133 0.229 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.570 9.853 -0.381 1.00 0.00 C ATOM 1218 C PRO A 73 -1.787 9.478 -1.852 1.00 0.00 C ATOM 1219 O PRO A 73 -0.825 9.346 -2.611 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.240 11.347 -0.260 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.184 11.410 0.840 1.00 0.00 C ATOM 1222 CD PRO A 73 0.557 10.088 0.667 1.00 0.00 C ATOM 0 HA PRO A 73 -2.496 9.591 0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.860 11.748 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.123 11.930 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.480 12.266 0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.634 11.496 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.357 10.180 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.018 9.771 1.603 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.050 9.370 -2.270 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.478 8.978 -3.623 1.00 0.00 C ATOM 1232 C VAL A 74 -4.629 9.880 -4.081 1.00 0.00 C ATOM 1233 O VAL A 74 -5.658 9.942 -3.413 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.954 7.504 -3.663 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.932 6.977 -5.099 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.152 6.536 -2.788 1.00 0.00 C ATOM 0 H VAL A 74 -3.839 9.560 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.620 9.086 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.964 7.534 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.269 5.940 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.595 7.581 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.917 7.033 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.563 5.531 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.110 6.534 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.211 6.853 -1.747 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.498 10.561 -5.222 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.552 11.469 -5.731 1.00 0.00 C ATOM 1248 C GLU A 75 -6.585 10.762 -6.632 1.00 0.00 C ATOM 1249 O GLU A 75 -7.705 11.244 -6.793 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.908 12.650 -6.475 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.077 13.547 -5.546 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.523 14.764 -6.310 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.193 15.826 -6.343 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.406 14.673 -6.879 1.00 0.00 O ATOM 0 H GLU A 75 -3.673 10.506 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.103 11.832 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.270 12.269 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.688 13.246 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.693 13.885 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.253 12.973 -5.121 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.214 9.614 -7.210 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.087 8.677 -7.927 1.00 0.00 C ATOM 1263 C GLN A 76 -6.431 7.289 -8.003 1.00 0.00 C ATOM 1264 O GLN A 76 -5.210 7.197 -8.155 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.452 9.202 -9.335 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.355 9.183 -10.418 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.144 10.066 -10.115 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.088 11.238 -10.464 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.127 9.540 -9.465 1.00 0.00 N ATOM 0 H GLN A 76 -5.245 9.296 -7.189 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.019 8.588 -7.368 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.295 8.616 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.800 10.230 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.014 8.156 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.792 9.501 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.161 8.565 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.305 10.108 -9.258 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.226 6.220 -7.938 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.770 4.833 -8.066 1.00 0.00 C ATOM 1280 C TYR A 77 -7.395 4.157 -9.309 1.00 0.00 C ATOM 1281 O TYR A 77 -8.621 4.221 -9.462 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.096 4.062 -6.780 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.627 2.623 -6.821 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.554 1.583 -7.021 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.254 2.335 -6.721 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.109 0.251 -7.118 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.803 1.009 -6.858 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.730 -0.039 -7.049 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.297 -1.321 -7.184 1.00 0.00 O ATOM 0 H TYR A 77 -8.232 6.296 -7.791 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.689 4.825 -8.208 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.632 4.566 -5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.173 4.083 -6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.608 1.807 -7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.547 3.131 -6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.823 -0.549 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.746 0.792 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.320 -1.346 -7.113 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.605 3.498 -10.185 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.140 3.415 -10.167 1.00 0.00 C ATOM 1301 C PRO A 78 -4.457 4.770 -10.443 1.00 0.00 C ATOM 1302 O PRO A 78 -4.979 5.614 -11.176 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.779 2.368 -11.226 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.922 2.481 -12.233 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.125 2.779 -11.340 1.00 0.00 C ATOM 0 HA PRO A 78 -4.781 3.133 -9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.814 2.578 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.717 1.367 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.747 3.277 -12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.056 1.559 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.865 3.378 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.621 1.858 -11.034 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.280 4.969 -9.845 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.476 6.195 -9.955 1.00 0.00 C ATOM 1315 C GLY A 79 -1.015 6.022 -9.519 1.00 0.00 C ATOM 1316 O GLY A 79 -0.540 4.906 -9.314 1.00 0.00 O ATOM 0 H GLY A 79 -2.845 4.262 -9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.498 6.541 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.936 6.975 -9.348 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.293 7.137 -9.361 1.00 0.00 N ATOM 1321 CA ILE A 80 1.164 7.161 -9.104 1.00 0.00 C ATOM 1322 C ILE A 80 1.575 6.515 -7.772 1.00 0.00 C ATOM 1323 O ILE A 80 2.647 5.919 -7.668 1.00 0.00 O ATOM 1324 CB ILE A 80 1.678 8.621 -9.208 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.197 8.787 -8.974 1.00 0.00 C ATOM 1326 CG2 ILE A 80 0.961 9.585 -8.239 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.079 7.989 -9.939 1.00 0.00 C ATOM 0 H ILE A 80 -0.706 8.068 -9.408 1.00 0.00 H new ATOM 0 HA ILE A 80 1.636 6.545 -9.869 1.00 0.00 H new ATOM 0 HB ILE A 80 1.450 8.877 -10.243 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.451 9.844 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.430 8.483 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.365 10.590 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.107 9.594 -8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.117 9.252 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.128 8.165 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.858 6.926 -9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.880 8.307 -10.962 1.00 0.00 H new ATOM 1339 N ALA A 81 0.731 6.615 -6.746 1.00 0.00 N ATOM 1340 CA ALA A 81 1.069 6.239 -5.375 1.00 0.00 C ATOM 1341 C ALA A 81 0.739 4.786 -5.007 1.00 0.00 C ATOM 1342 O ALA A 81 0.919 4.419 -3.848 1.00 0.00 O ATOM 1343 CB ALA A 81 0.440 7.273 -4.441 1.00 0.00 C ATOM 0 H ALA A 81 -0.222 6.965 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 81 2.153 6.255 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.675 7.020 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.838 8.261 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.641 7.276 -4.577 1.00 0.00 H new ATOM 1349 N VAL A 82 0.289 3.964 -5.962 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.079 2.553 -5.743 1.00 0.00 C ATOM 1351 C VAL A 82 0.174 1.718 -7.008 1.00 0.00 C ATOM 1352 O VAL A 82 -0.272 2.079 -8.096 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.560 2.401 -5.334 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.854 0.960 -4.891 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.036 3.329 -4.209 1.00 0.00 C ATOM 0 H VAL A 82 0.167 4.263 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 82 0.549 2.190 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.105 2.681 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.903 0.874 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.643 0.276 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.225 0.706 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.089 3.139 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.449 3.141 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.908 4.367 -4.515 1.00 0.00 H new ATOM 1365 N GLU A 83 0.843 0.575 -6.866 1.00 0.00 N ATOM 1366 CA GLU A 83 1.161 -0.374 -7.945 1.00 0.00 C ATOM 1367 C GLU A 83 1.026 -1.841 -7.511 1.00 0.00 C ATOM 1368 O GLU A 83 1.100 -2.171 -6.328 1.00 0.00 O ATOM 1369 CB GLU A 83 2.585 -0.130 -8.482 1.00 0.00 C ATOM 1370 CG GLU A 83 2.646 1.077 -9.421 1.00 0.00 C ATOM 1371 CD GLU A 83 3.967 1.104 -10.202 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.124 0.316 -11.162 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.868 1.917 -9.889 1.00 0.00 O ATOM 0 H GLU A 83 1.195 0.267 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 83 0.429 -0.194 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.266 0.027 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.930 -1.018 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.809 1.042 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.542 1.996 -8.844 1.00 0.00 H new ATOM 1380 N THR A 84 0.864 -2.731 -8.490 1.00 0.00 N ATOM 1381 CA THR A 84 0.787 -4.197 -8.344 1.00 0.00 C ATOM 1382 C THR A 84 2.086 -4.862 -8.807 1.00 0.00 C ATOM 1383 O THR A 84 2.843 -4.302 -9.607 1.00 0.00 O ATOM 1384 CB THR A 84 -0.393 -4.749 -9.169 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.274 -4.417 -10.540 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.726 -4.162 -8.703 1.00 0.00 C ATOM 0 H THR A 84 0.777 -2.439 -9.463 1.00 0.00 H new ATOM 0 HA THR A 84 0.634 -4.424 -7.289 1.00 0.00 H new ATOM 0 HB THR A 84 -0.368 -5.829 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.037 -4.784 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.535 -4.573 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.889 -4.416 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.705 -3.078 -8.814 1.00 0.00 H new ATOM 1394 N VAL A 85 2.335 -6.089 -8.347 1.00 0.00 N ATOM 1395 CA VAL A 85 3.351 -6.985 -8.918 1.00 0.00 C ATOM 1396 C VAL A 85 2.788 -7.753 -10.131 1.00 0.00 C ATOM 1397 O VAL A 85 1.595 -7.671 -10.440 1.00 0.00 O ATOM 1398 CB VAL A 85 3.877 -7.956 -7.848 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.461 -7.186 -6.661 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.785 -8.902 -7.361 1.00 0.00 C ATOM 0 H VAL A 85 1.833 -6.497 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 85 4.186 -6.377 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 85 4.663 -8.553 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.828 -7.891 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.284 -6.559 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.687 -6.559 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.195 -9.573 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.969 -8.323 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.409 -9.487 -8.200 1.00 0.00 H new ATOM 1410 N THR A 86 3.627 -8.543 -10.798 1.00 0.00 N ATOM 1411 CA THR A 86 3.281 -9.367 -11.969 1.00 0.00 C ATOM 1412 C THR A 86 2.923 -10.810 -11.601 1.00 0.00 C ATOM 1413 O THR A 86 2.096 -11.431 -12.270 1.00 0.00 O ATOM 1414 CB THR A 86 4.450 -9.393 -12.967 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.586 -9.990 -12.378 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.864 -7.989 -13.402 1.00 0.00 C ATOM 0 H THR A 86 4.607 -8.635 -10.532 1.00 0.00 H new ATOM 0 HA THR A 86 2.400 -8.905 -12.415 1.00 0.00 H new ATOM 0 HB THR A 86 4.102 -9.960 -13.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.322 -10.001 -13.025 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.693 -8.056 -14.107 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.020 -7.493 -13.881 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.175 -7.415 -12.529 1.00 0.00 H new ATOM 1424 N ASP A 87 3.537 -11.351 -10.543 1.00 0.00 N ATOM 1425 CA ASP A 87 3.507 -12.786 -10.236 1.00 0.00 C ATOM 1426 C ASP A 87 2.371 -13.192 -9.284 1.00 0.00 C ATOM 1427 O ASP A 87 1.705 -14.202 -9.526 1.00 0.00 O ATOM 1428 CB ASP A 87 4.868 -13.205 -9.668 1.00 0.00 C ATOM 1429 CG ASP A 87 4.965 -14.732 -9.509 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.775 -15.242 -8.379 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.230 -15.427 -10.520 1.00 0.00 O ATOM 0 H ASP A 87 4.073 -10.802 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 87 3.305 -13.312 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.662 -12.855 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.023 -12.727 -8.701 1.00 0.00 H new ATOM 1436 N SER A 88 2.140 -12.416 -8.214 1.00 0.00 N ATOM 1437 CA SER A 88 1.162 -12.781 -7.164 1.00 0.00 C ATOM 1438 C SER A 88 0.377 -11.595 -6.590 1.00 0.00 C ATOM 1439 O SER A 88 0.950 -10.685 -5.999 1.00 0.00 O ATOM 1440 CB SER A 88 1.877 -13.548 -6.047 1.00 0.00 C ATOM 1441 OG SER A 88 0.937 -13.984 -5.080 1.00 0.00 O ATOM 0 H SER A 88 2.616 -11.529 -8.048 1.00 0.00 H new ATOM 0 HA SER A 88 0.414 -13.412 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.406 -14.405 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.625 -12.909 -5.577 1.00 0.00 H new ATOM 0 HG SER A 88 1.402 -14.475 -4.370 1.00 0.00 H new ATOM 1447 N SER A 89 -0.956 -11.610 -6.709 1.00 0.00 N ATOM 1448 CA SER A 89 -1.824 -10.452 -6.407 1.00 0.00 C ATOM 1449 C SER A 89 -1.904 -10.051 -4.920 1.00 0.00 C ATOM 1450 O SER A 89 -2.549 -9.053 -4.597 1.00 0.00 O ATOM 1451 CB SER A 89 -3.248 -10.670 -6.945 1.00 0.00 C ATOM 1452 OG SER A 89 -3.270 -11.457 -8.131 1.00 0.00 O ATOM 0 H SER A 89 -1.473 -12.432 -7.020 1.00 0.00 H new ATOM 0 HA SER A 89 -1.336 -9.622 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.851 -11.157 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.708 -9.703 -7.146 1.00 0.00 H new ATOM 0 HG SER A 89 -3.521 -10.894 -8.893 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.249 -10.791 -4.010 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.125 -10.477 -2.573 1.00 0.00 C ATOM 1460 C ARG A 90 0.068 -9.571 -2.226 1.00 0.00 C ATOM 1461 O ARG A 90 0.504 -9.545 -1.074 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.278 -11.742 -1.700 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.418 -12.934 -2.140 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.495 -14.105 -1.152 1.00 0.00 C ATOM 1465 NE ARG A 90 0.306 -13.856 0.064 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.368 -14.518 0.489 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.942 -14.148 1.594 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.872 -15.539 -0.145 1.00 0.00 N ATOM 0 H ARG A 90 -0.773 -11.657 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.973 -9.844 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.024 -11.489 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.325 -12.046 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.744 -13.270 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.619 -12.614 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.535 -14.276 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.142 -15.014 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 90 0.002 -13.077 0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.572 -13.357 2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.762 -14.649 1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.445 -15.862 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.694 -16.015 0.227 1.00 0.00 H new ATOM 1482 N TYR A 91 0.572 -8.808 -3.200 1.00 0.00 N ATOM 1483 CA TYR A 91 1.694 -7.888 -3.048 1.00 0.00 C ATOM 1484 C TYR A 91 1.462 -6.590 -3.840 1.00 0.00 C ATOM 1485 O TYR A 91 1.057 -6.626 -5.007 1.00 0.00 O ATOM 1486 CB TYR A 91 2.981 -8.583 -3.506 1.00 0.00 C ATOM 1487 CG TYR A 91 3.361 -9.810 -2.700 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.073 -9.657 -1.497 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.994 -11.096 -3.141 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.402 -10.785 -0.723 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.343 -12.230 -2.382 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.047 -12.077 -1.168 1.00 0.00 C ATOM 1493 OH TYR A 91 4.377 -13.175 -0.433 1.00 0.00 O ATOM 0 H TYR A 91 0.194 -8.817 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 91 1.786 -7.613 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.869 -8.872 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.801 -7.866 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.368 -8.672 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.444 -11.213 -4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.927 -10.662 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.072 -13.216 -2.729 1.00 0.00 H new ATOM 0 HH TYR A 91 4.054 -13.981 -0.887 1.00 0.00 H new ATOM 1503 N PHE A 92 1.750 -5.445 -3.215 1.00 0.00 N ATOM 1504 CA PHE A 92 1.618 -4.105 -3.800 1.00 0.00 C ATOM 1505 C PHE A 92 2.837 -3.236 -3.484 1.00 0.00 C ATOM 1506 O PHE A 92 3.564 -3.507 -2.534 1.00 0.00 O ATOM 1507 CB PHE A 92 0.354 -3.411 -3.269 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.929 -4.167 -3.534 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.489 -4.960 -2.520 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.555 -4.088 -4.789 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.674 -5.671 -2.753 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.731 -4.822 -5.032 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.289 -5.614 -4.016 1.00 0.00 C ATOM 0 H PHE A 92 2.093 -5.423 -2.255 1.00 0.00 H new ATOM 0 HA PHE A 92 1.545 -4.226 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.459 -3.263 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.279 -2.422 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.005 -5.022 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.135 -3.466 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.114 -6.262 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.205 -4.776 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.190 -6.179 -4.204 1.00 0.00 H new ATOM 1523 N VAL A 93 3.039 -2.162 -4.241 1.00 0.00 N ATOM 1524 CA VAL A 93 3.979 -1.077 -3.919 1.00 0.00 C ATOM 1525 C VAL A 93 3.188 0.206 -3.706 1.00 0.00 C ATOM 1526 O VAL A 93 2.231 0.447 -4.442 1.00 0.00 O ATOM 1527 CB VAL A 93 5.047 -0.908 -5.016 1.00 0.00 C ATOM 1528 CG1 VAL A 93 6.012 0.255 -4.766 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.880 -2.180 -5.137 1.00 0.00 C ATOM 0 H VAL A 93 2.544 -2.012 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 93 4.517 -1.326 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 93 4.493 -0.696 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.734 0.310 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.451 1.188 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.538 0.095 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.632 -2.050 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.373 -2.384 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.231 -3.017 -5.396 1.00 0.00 H new ATOM 1539 N ILE A 94 3.574 1.046 -2.743 1.00 0.00 N ATOM 1540 CA ILE A 94 2.966 2.368 -2.556 1.00 0.00 C ATOM 1541 C ILE A 94 4.013 3.473 -2.386 1.00 0.00 C ATOM 1542 O ILE A 94 5.092 3.242 -1.833 1.00 0.00 O ATOM 1543 CB ILE A 94 1.897 2.403 -1.440 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.411 2.128 -0.006 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.689 1.517 -1.777 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.625 0.659 0.390 1.00 0.00 C ATOM 0 H ILE A 94 4.313 0.832 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 94 2.432 2.574 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 94 1.579 3.445 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.357 2.654 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.704 2.569 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.038 1.570 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.229 1.866 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.018 0.485 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.986 0.608 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.681 0.119 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.360 0.206 -0.275 1.00 0.00 H new ATOM 1558 N ARG A 95 3.686 4.682 -2.864 1.00 0.00 N ATOM 1559 CA ARG A 95 4.563 5.866 -2.763 1.00 0.00 C ATOM 1560 C ARG A 95 4.298 6.637 -1.472 1.00 0.00 C ATOM 1561 O ARG A 95 3.520 7.595 -1.454 1.00 0.00 O ATOM 1562 CB ARG A 95 4.462 6.752 -4.017 1.00 0.00 C ATOM 1563 CG ARG A 95 5.658 7.713 -4.097 1.00 0.00 C ATOM 1564 CD ARG A 95 5.554 8.641 -5.312 1.00 0.00 C ATOM 1565 NE ARG A 95 6.745 9.507 -5.414 1.00 0.00 N ATOM 1566 CZ ARG A 95 7.142 10.211 -6.454 1.00 0.00 C ATOM 1567 NH1 ARG A 95 8.233 10.912 -6.362 1.00 0.00 N ATOM 1568 NH2 ARG A 95 6.485 10.242 -7.579 1.00 0.00 N ATOM 0 H ARG A 95 2.801 4.871 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 95 5.596 5.520 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.431 6.127 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.532 7.321 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.708 8.309 -3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.583 7.140 -4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.451 8.048 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.658 9.256 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 95 7.330 9.567 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.768 10.911 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.554 11.463 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.623 9.706 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.832 10.803 -8.357 1.00 0.00 H new ATOM 1582 N ILE A 96 4.932 6.217 -0.381 1.00 0.00 N ATOM 1583 CA ILE A 96 4.800 6.888 0.920 1.00 0.00 C ATOM 1584 C ILE A 96 5.467 8.270 0.898 1.00 0.00 C ATOM 1585 O ILE A 96 6.519 8.452 0.284 1.00 0.00 O ATOM 1586 CB ILE A 96 5.222 5.996 2.109 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.725 5.638 2.159 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.383 4.708 2.128 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.533 6.559 3.079 1.00 0.00 C ATOM 0 H ILE A 96 5.550 5.406 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 96 3.739 7.065 1.093 1.00 0.00 H new ATOM 0 HB ILE A 96 5.034 6.599 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.836 4.608 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.138 5.688 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.689 4.087 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.328 4.962 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.536 4.160 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.580 6.255 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.451 7.587 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.144 6.491 4.095 1.00 0.00 H new ATOM 1601 N GLN A 97 4.819 9.255 1.524 1.00 0.00 N ATOM 1602 CA GLN A 97 5.158 10.682 1.467 1.00 0.00 C ATOM 1603 C GLN A 97 5.012 11.352 2.838 1.00 0.00 C ATOM 1604 O GLN A 97 4.084 11.079 3.601 1.00 0.00 O ATOM 1605 CB GLN A 97 4.257 11.406 0.451 1.00 0.00 C ATOM 1606 CG GLN A 97 4.643 11.126 -1.010 1.00 0.00 C ATOM 1607 CD GLN A 97 3.474 11.303 -1.972 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.118 12.402 -2.375 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.834 10.225 -2.368 1.00 0.00 N ATOM 0 H GLN A 97 4.006 9.073 2.112 1.00 0.00 H new ATOM 0 HA GLN A 97 6.200 10.756 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.223 11.102 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.305 12.480 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.453 11.795 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.025 10.108 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.127 9.307 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.044 10.307 -3.008 1.00 0.00 H new ATOM 1682 N SER A 103 9.487 11.620 -0.712 1.00 0.00 N ATOM 1683 CA SER A 103 8.821 10.348 -1.003 1.00 0.00 C ATOM 1684 C SER A 103 9.750 9.135 -1.126 1.00 0.00 C ATOM 1685 O SER A 103 10.947 9.269 -1.394 1.00 0.00 O ATOM 1686 CB SER A 103 7.956 10.480 -2.263 1.00 0.00 C ATOM 1687 OG SER A 103 8.738 10.584 -3.443 1.00 0.00 O ATOM 0 HA SER A 103 8.203 10.145 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.297 9.615 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.318 11.360 -2.173 1.00 0.00 H new ATOM 0 HG SER A 103 9.575 11.052 -3.241 1.00 0.00 H new ATOM 1693 N ALA A 104 9.172 7.941 -0.958 1.00 0.00 N ATOM 1694 CA ALA A 104 9.791 6.647 -1.248 1.00 0.00 C ATOM 1695 C ALA A 104 8.751 5.639 -1.764 1.00 0.00 C ATOM 1696 O ALA A 104 7.593 5.668 -1.350 1.00 0.00 O ATOM 1697 CB ALA A 104 10.484 6.126 0.020 1.00 0.00 C ATOM 0 H ALA A 104 8.221 7.848 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 104 10.533 6.774 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.948 5.162 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.249 6.836 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.748 6.010 0.815 1.00 0.00 H new ATOM 1703 N PHE A 105 9.162 4.719 -2.638 1.00 0.00 N ATOM 1704 CA PHE A 105 8.354 3.561 -3.033 1.00 0.00 C ATOM 1705 C PHE A 105 8.706 2.358 -2.146 1.00 0.00 C ATOM 1706 O PHE A 105 9.850 1.896 -2.149 1.00 0.00 O ATOM 1707 CB PHE A 105 8.557 3.251 -4.523 1.00 0.00 C ATOM 1708 CG PHE A 105 7.847 4.198 -5.478 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.541 5.266 -6.078 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.495 3.979 -5.806 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.891 6.092 -7.016 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.850 4.791 -6.755 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.550 5.846 -7.364 1.00 0.00 C ATOM 0 H PHE A 105 10.073 4.756 -3.096 1.00 0.00 H new ATOM 0 HA PHE A 105 7.297 3.787 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.625 3.272 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.212 2.236 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.573 5.452 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.949 3.181 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.423 6.916 -7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.819 4.604 -7.015 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.059 6.467 -8.098 1.00 0.00 H new ATOM 1723 N ILE A 106 7.726 1.848 -1.394 1.00 0.00 N ATOM 1724 CA ILE A 106 7.869 0.663 -0.526 1.00 0.00 C ATOM 1725 C ILE A 106 6.934 -0.462 -0.970 1.00 0.00 C ATOM 1726 O ILE A 106 5.813 -0.199 -1.401 1.00 0.00 O ATOM 1727 CB ILE A 106 7.689 0.997 0.975 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.236 1.358 1.362 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.668 2.115 1.369 1.00 0.00 C ATOM 1730 CD1 ILE A 106 6.013 1.506 2.872 1.00 0.00 C ATOM 0 H ILE A 106 6.790 2.252 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 106 8.895 0.311 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 106 7.916 0.091 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.961 2.291 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.567 0.587 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.543 2.352 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.691 1.783 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.465 3.004 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.970 1.760 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.255 0.567 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.655 2.297 3.259 1.00 0.00 H new ATOM 1742 N GLY A 107 7.381 -1.712 -0.852 1.00 0.00 N ATOM 1743 CA GLY A 107 6.574 -2.899 -1.126 1.00 0.00 C ATOM 1744 C GLY A 107 5.855 -3.375 0.134 1.00 0.00 C ATOM 1745 O GLY A 107 6.415 -3.293 1.226 1.00 0.00 O ATOM 0 H GLY A 107 8.333 -1.931 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.843 -2.675 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.212 -3.696 -1.508 1.00 0.00 H new ATOM 1749 N ILE A 108 4.635 -3.888 -0.013 1.00 0.00 N ATOM 1750 CA ILE A 108 3.852 -4.534 1.044 1.00 0.00 C ATOM 1751 C ILE A 108 3.307 -5.892 0.594 1.00 0.00 C ATOM 1752 O ILE A 108 2.869 -6.050 -0.547 1.00 0.00 O ATOM 1753 CB ILE A 108 2.727 -3.634 1.605 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.708 -3.143 0.553 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.346 -2.464 2.380 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.464 -2.484 1.171 1.00 0.00 C ATOM 0 H ILE A 108 4.143 -3.865 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 108 4.545 -4.705 1.867 1.00 0.00 H new ATOM 0 HB ILE A 108 2.138 -4.257 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.197 -2.429 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.396 -3.987 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.553 -1.829 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.946 -2.850 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.979 -1.880 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.210 -2.162 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.047 -3.202 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.766 -1.620 1.763 1.00 0.00 H new ATOM 1768 N GLY A 109 3.324 -6.865 1.502 1.00 0.00 N ATOM 1769 CA GLY A 109 2.797 -8.219 1.313 1.00 0.00 C ATOM 1770 C GLY A 109 1.692 -8.576 2.307 1.00 0.00 C ATOM 1771 O GLY A 109 1.742 -8.188 3.478 1.00 0.00 O ATOM 0 H GLY A 109 3.722 -6.728 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.409 -8.313 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.612 -8.937 1.411 1.00 0.00 H new ATOM 1775 N PHE A 110 0.697 -9.322 1.823 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.504 -9.734 2.558 1.00 0.00 C ATOM 1777 C PHE A 110 -0.464 -11.221 2.929 1.00 0.00 C ATOM 1778 O PHE A 110 0.249 -12.016 2.313 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.748 -9.419 1.711 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.141 -7.956 1.678 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.355 -7.547 2.263 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.306 -7.003 1.063 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.731 -6.194 2.230 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.660 -5.646 1.076 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.875 -5.244 1.647 1.00 0.00 C ATOM 0 H PHE A 110 0.705 -9.672 0.865 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.545 -9.175 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.570 -9.756 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.588 -9.998 2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.997 -8.274 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.392 -7.318 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.676 -5.884 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.996 -4.911 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.154 -4.201 1.639 1.00 0.00 H new ATOM 1795 N THR A 111 -1.280 -11.619 3.907 1.00 0.00 N ATOM 1796 CA THR A 111 -1.383 -13.016 4.367 1.00 0.00 C ATOM 1797 C THR A 111 -2.120 -13.921 3.367 1.00 0.00 C ATOM 1798 O THR A 111 -1.830 -15.116 3.281 1.00 0.00 O ATOM 1799 CB THR A 111 -2.025 -13.056 5.767 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.881 -14.337 6.341 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.511 -12.687 5.795 1.00 0.00 C ATOM 0 H THR A 111 -1.895 -10.980 4.410 1.00 0.00 H new ATOM 0 HA THR A 111 -0.374 -13.422 4.433 1.00 0.00 H new ATOM 0 HB THR A 111 -1.491 -12.298 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.293 -14.345 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.880 -12.742 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.641 -11.673 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.071 -13.383 5.170 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.036 -13.359 2.567 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.847 -14.097 1.592 1.00 0.00 C ATOM 1811 C ASP A 112 -4.345 -13.192 0.450 1.00 0.00 C ATOM 1812 O ASP A 112 -4.563 -11.990 0.636 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.037 -14.756 2.312 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.781 -15.742 1.400 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.782 -15.337 0.768 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.337 -16.908 1.279 1.00 0.00 O ATOM 0 H ASP A 112 -3.237 -12.359 2.580 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.218 -14.864 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.680 -15.280 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.728 -13.985 2.653 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.568 -13.774 -0.736 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.068 -13.071 -1.929 1.00 0.00 C ATOM 1823 C ARG A 113 -6.471 -12.482 -1.745 1.00 0.00 C ATOM 1824 O ARG A 113 -6.739 -11.402 -2.266 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.993 -14.034 -3.126 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.232 -13.312 -4.457 1.00 0.00 C ATOM 1827 CD ARG A 113 -4.965 -14.251 -5.642 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.022 -13.525 -6.926 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.021 -13.444 -7.784 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.873 -12.713 -8.847 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.159 -14.056 -7.609 1.00 0.00 N ATOM 0 H ARG A 113 -4.403 -14.767 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.433 -12.204 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.015 -14.515 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.734 -14.824 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.259 -12.948 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.582 -12.440 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.985 -14.715 -5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.700 -15.056 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.176 -13.018 -7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.997 -12.215 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.633 -12.637 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.307 -14.629 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.901 -13.961 -8.303 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.340 -13.125 -0.966 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.674 -12.610 -0.633 1.00 0.00 C ATOM 1847 C GLY A 114 -8.644 -11.372 0.276 1.00 0.00 C ATOM 1848 O GLY A 114 -9.516 -10.509 0.172 1.00 0.00 O ATOM 0 H GLY A 114 -7.138 -14.030 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.199 -12.361 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.247 -13.397 -0.143 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.611 -11.235 1.113 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.397 -10.058 1.968 1.00 0.00 C ATOM 1854 C ASP A 115 -6.690 -8.925 1.212 1.00 0.00 C ATOM 1855 O ASP A 115 -7.017 -7.754 1.407 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.628 -10.457 3.236 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.524 -11.227 4.219 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.474 -10.612 4.755 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.276 -12.431 4.466 1.00 0.00 O ATOM 0 H ASP A 115 -6.889 -11.947 1.219 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.373 -9.673 2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.771 -11.073 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.237 -9.563 3.722 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.787 -9.262 0.286 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.228 -8.310 -0.671 1.00 0.00 C ATOM 1866 C ALA A 116 -6.278 -7.767 -1.655 1.00 0.00 C ATOM 1867 O ALA A 116 -6.207 -6.604 -2.048 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.104 -9.009 -1.420 1.00 0.00 C ATOM 0 H ALA A 116 -5.423 -10.209 0.181 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.855 -7.443 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.666 -8.321 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.338 -9.327 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.501 -9.880 -1.941 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.291 -8.561 -2.013 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.408 -8.077 -2.833 1.00 0.00 C ATOM 1876 C PHE A 117 -9.162 -6.909 -2.175 1.00 0.00 C ATOM 1877 O PHE A 117 -9.554 -5.967 -2.863 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.351 -9.231 -3.209 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.388 -9.472 -4.704 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.405 -8.898 -5.491 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -8.367 -10.221 -5.320 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -10.406 -9.079 -6.886 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.366 -10.399 -6.715 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.387 -9.830 -7.498 1.00 0.00 C ATOM 0 H PHE A 117 -7.362 -9.543 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.983 -7.678 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.029 -10.141 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.357 -9.007 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.186 -8.318 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.583 -10.660 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -11.189 -8.641 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.581 -10.973 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 117 -9.388 -9.970 -8.569 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.305 -6.903 -0.843 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.937 -5.789 -0.123 1.00 0.00 C ATOM 1896 C ASP A 118 -9.113 -4.488 -0.187 1.00 0.00 C ATOM 1897 O ASP A 118 -9.698 -3.405 -0.212 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.228 -6.188 1.334 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.397 -7.177 1.478 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.432 -7.025 0.786 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.300 -8.078 2.345 1.00 0.00 O ATOM 0 H ASP A 118 -8.989 -7.662 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.880 -5.578 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.332 -6.632 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.449 -5.290 1.911 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.779 -4.561 -0.294 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.919 -3.390 -0.519 1.00 0.00 C ATOM 1908 C PHE A 119 -7.256 -2.683 -1.843 1.00 0.00 C ATOM 1909 O PHE A 119 -7.505 -1.477 -1.851 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.443 -3.815 -0.426 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.426 -2.769 -0.839 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.090 -2.610 -2.197 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.786 -1.977 0.128 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.156 -1.634 -2.584 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.857 -1.001 -0.257 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.542 -0.823 -1.615 1.00 0.00 C ATOM 0 H PHE A 119 -7.263 -5.438 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.106 -2.651 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.234 -4.111 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.300 -4.699 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.551 -3.240 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.011 -2.121 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.910 -1.507 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.382 -0.384 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.831 -0.066 -1.912 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.336 -3.420 -2.956 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.598 -2.818 -4.271 1.00 0.00 C ATOM 1928 C ASN A 120 -9.087 -2.542 -4.554 1.00 0.00 C ATOM 1929 O ASN A 120 -9.402 -1.649 -5.347 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.916 -3.637 -5.384 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.406 -5.068 -5.540 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.753 -6.016 -5.138 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.544 -5.287 -6.160 1.00 0.00 N ATOM 0 H ASN A 120 -7.223 -4.434 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.148 -1.825 -4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.058 -3.118 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.844 -3.658 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.873 -6.242 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.099 -4.502 -6.501 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.016 -3.266 -3.922 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.461 -3.009 -4.056 1.00 0.00 C ATOM 1942 C VAL A 121 -11.891 -1.801 -3.218 1.00 0.00 C ATOM 1943 O VAL A 121 -12.627 -0.954 -3.719 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.288 -4.269 -3.725 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.794 -3.993 -3.617 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.110 -5.326 -4.824 1.00 0.00 C ATOM 0 H VAL A 121 -9.793 -4.046 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.661 -2.762 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.918 -4.615 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.318 -4.920 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.975 -3.264 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.161 -3.599 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.699 -6.210 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.447 -4.920 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.058 -5.600 -4.898 1.00 0.00 H new ATOM 1956 N SER A 122 -11.402 -1.653 -1.982 1.00 0.00 N ATOM 1957 CA SER A 122 -11.760 -0.501 -1.138 1.00 0.00 C ATOM 1958 C SER A 122 -11.249 0.835 -1.694 1.00 0.00 C ATOM 1959 O SER A 122 -11.928 1.855 -1.561 1.00 0.00 O ATOM 1960 CB SER A 122 -11.262 -0.701 0.292 1.00 0.00 C ATOM 1961 OG SER A 122 -9.852 -0.729 0.335 1.00 0.00 O ATOM 0 H SER A 122 -10.760 -2.312 -1.543 1.00 0.00 H new ATOM 0 HA SER A 122 -12.849 -0.449 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.633 0.104 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.661 -1.633 0.693 1.00 0.00 H new ATOM 0 HG SER A 122 -9.537 -1.640 0.159 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.102 0.827 -2.388 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.578 1.985 -3.116 1.00 0.00 C ATOM 1969 C LEU A 123 -10.443 2.338 -4.335 1.00 0.00 C ATOM 1970 O LEU A 123 -10.895 3.476 -4.449 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.113 1.727 -3.514 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.103 1.836 -2.357 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.728 1.356 -2.830 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.952 3.280 -1.867 1.00 0.00 C ATOM 0 H LEU A 123 -9.506 0.003 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.614 2.851 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.039 0.731 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.832 2.437 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.479 1.220 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.014 1.434 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.797 0.318 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.393 1.975 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.231 3.314 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.602 3.908 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.916 3.647 -1.515 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.737 1.387 -5.231 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.522 1.689 -6.442 1.00 0.00 C ATOM 1988 C GLN A 124 -12.985 2.062 -6.128 1.00 0.00 C ATOM 1989 O GLN A 124 -13.581 2.891 -6.817 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.386 0.548 -7.466 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.271 -0.674 -7.196 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.878 -1.856 -8.074 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.560 -2.226 -9.022 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.754 -2.487 -7.801 1.00 0.00 N ATOM 0 H GLN A 124 -10.449 0.412 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.104 2.586 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.623 0.938 -8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.345 0.225 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.191 -0.957 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.314 -0.416 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.179 -2.187 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.459 -3.276 -8.377 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.543 1.529 -5.035 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.880 1.853 -4.529 1.00 0.00 C ATOM 2005 C ASP A 125 -14.901 3.157 -3.703 1.00 0.00 C ATOM 2006 O ASP A 125 -15.967 3.608 -3.285 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.413 0.646 -3.735 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.871 0.807 -3.273 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.143 0.687 -2.055 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.760 1.051 -4.123 1.00 0.00 O ATOM 0 H ASP A 125 -13.060 0.838 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.542 2.045 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.333 -0.248 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.780 0.488 -2.862 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.756 3.819 -3.507 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.716 5.198 -3.010 1.00 0.00 C ATOM 2017 C HIS A 126 -13.718 6.242 -4.136 1.00 0.00 C ATOM 2018 O HIS A 126 -14.169 7.364 -3.915 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.518 5.383 -2.070 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.458 6.763 -1.458 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.429 7.691 -1.642 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -13.414 7.316 -0.656 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.795 8.783 -0.953 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.979 8.586 -0.347 1.00 0.00 N ATOM 0 H HIS A 126 -12.836 3.417 -3.687 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.635 5.369 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.569 4.640 -1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.597 5.196 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -14.331 6.850 -0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.218 9.694 -0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -13.470 9.260 0.240 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.287 5.877 -5.348 1.00 0.00 N ATOM 2033 CA PHE A 127 -13.164 6.800 -6.484 1.00 0.00 C ATOM 2034 C PHE A 127 -14.262 6.679 -7.555 1.00 0.00 C ATOM 2035 O PHE A 127 -14.298 7.516 -8.458 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.752 6.692 -7.080 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.661 7.230 -6.171 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.726 6.361 -5.580 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.579 8.613 -5.918 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.703 6.867 -4.760 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.559 9.120 -5.093 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.618 8.248 -4.520 1.00 0.00 C ATOM 0 H PHE A 127 -13.010 4.921 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.321 7.802 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.542 5.646 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.724 7.234 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.795 5.298 -5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.301 9.285 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.984 6.195 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.499 10.181 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.829 8.640 -3.895 1.00 0.00 H new ATOM 2052 N LYS A 128 -15.199 5.718 -7.465 1.00 0.00 N ATOM 2053 CA LYS A 128 -16.240 5.517 -8.502 1.00 0.00 C ATOM 2054 C LYS A 128 -17.083 6.765 -8.810 1.00 0.00 C ATOM 2055 O LYS A 128 -17.478 6.972 -9.956 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.124 4.283 -8.226 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.244 4.433 -7.176 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.748 4.247 -5.742 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.886 4.465 -4.736 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.712 3.614 -3.535 1.00 0.00 N ATOM 0 H LYS A 128 -15.261 5.064 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.676 5.319 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.583 3.980 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.474 3.467 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.695 5.420 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -19.027 3.703 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -17.338 3.244 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.939 4.948 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.917 5.514 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.841 4.239 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.468 3.820 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.757 2.612 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.788 3.812 -3.100 1.00 0.00 H new