USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=24 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= 0.726 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.461 X(o=0.27,f=0.68) USER MOD Set 2.1: A 120 ASN : amide:sc= 1.08 K(o=1.9,f=0.038) USER MOD Set 2.2: A 124 GLN : amide:sc= 0.832 K(o=1.9,f=1.1) USER MOD Set 3.1: A 44 THR OG1 : rot -159:sc= 0.805 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 145:sc= 0.912 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0903 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 2.44 (180deg=2.25) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 20 TYR OH : rot 15:sc= -0.0155 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 48:sc= 1.27 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 68:sc= 0.0357 USER MOD Single : A 57 TYR OH : rot 167:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.858 K(o=0.86,f=-0.5) 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 30: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 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.767 K(o=0.77,f=-2.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -84:sc= 0.932 USER MOD Single : A 128 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -12.279 9.101 6.436 1.00 0.00 N ATOM 187 CA SER A 9 -13.150 7.931 6.518 1.00 0.00 C ATOM 188 C SER A 9 -12.384 6.645 6.224 1.00 0.00 C ATOM 189 O SER A 9 -11.727 6.535 5.185 1.00 0.00 O ATOM 190 CB SER A 9 -14.317 8.095 5.547 1.00 0.00 C ATOM 191 OG SER A 9 -15.344 7.170 5.867 1.00 0.00 O ATOM 0 HA SER A 9 -13.534 7.856 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.703 9.113 5.598 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.976 7.934 4.524 1.00 0.00 H new ATOM 0 HG SER A 9 -16.091 7.281 5.242 1.00 0.00 H new ATOM 197 N VAL A 10 -12.438 5.676 7.138 1.00 0.00 N ATOM 198 CA VAL A 10 -11.730 4.394 7.004 1.00 0.00 C ATOM 199 C VAL A 10 -12.391 3.502 5.936 1.00 0.00 C ATOM 200 O VAL A 10 -13.610 3.531 5.753 1.00 0.00 O ATOM 201 CB VAL A 10 -11.588 3.715 8.381 1.00 0.00 C ATOM 202 CG1 VAL A 10 -12.910 3.177 8.943 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.559 2.584 8.364 1.00 0.00 C ATOM 0 H VAL A 10 -12.977 5.755 8.000 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.717 4.577 6.644 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.244 4.512 9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.731 2.713 9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.617 3.998 9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.322 2.436 8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.494 2.136 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.864 1.826 7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.585 2.983 8.081 1.00 0.00 H new ATOM 213 N LEU A 11 -11.584 2.712 5.222 1.00 0.00 N ATOM 214 CA LEU A 11 -11.983 1.934 4.037 1.00 0.00 C ATOM 215 C LEU A 11 -11.560 0.460 4.131 1.00 0.00 C ATOM 216 O LEU A 11 -12.310 -0.427 3.721 1.00 0.00 O ATOM 217 CB LEU A 11 -11.373 2.572 2.770 1.00 0.00 C ATOM 218 CG LEU A 11 -11.891 3.969 2.383 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.177 4.426 1.109 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.395 3.988 2.106 1.00 0.00 C ATOM 0 H LEU A 11 -10.599 2.590 5.458 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.072 1.955 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.293 2.635 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.550 1.899 1.931 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.691 4.629 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.536 5.415 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.103 4.468 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.383 3.721 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.703 4.999 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.622 3.310 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.933 3.669 2.999 1.00 0.00 H new ATOM 232 N CYS A 12 -10.379 0.198 4.696 1.00 0.00 N ATOM 233 CA CYS A 12 -9.873 -1.141 4.998 1.00 0.00 C ATOM 234 C CYS A 12 -8.968 -1.089 6.230 1.00 0.00 C ATOM 235 O CYS A 12 -8.158 -0.173 6.371 1.00 0.00 O ATOM 236 CB CYS A 12 -9.109 -1.684 3.782 1.00 0.00 C ATOM 237 SG CYS A 12 -8.678 -3.430 4.034 1.00 0.00 S ATOM 0 H CYS A 12 -9.728 0.936 4.964 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.707 -1.809 5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.719 -1.579 2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.204 -1.099 3.622 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.035 -3.873 2.995 1.00 0.00 H new ATOM 243 N VAL A 13 -9.085 -2.085 7.103 1.00 0.00 N ATOM 244 CA VAL A 13 -8.155 -2.343 8.212 1.00 0.00 C ATOM 245 C VAL A 13 -7.838 -3.840 8.254 1.00 0.00 C ATOM 246 O VAL A 13 -8.757 -4.663 8.282 1.00 0.00 O ATOM 247 CB VAL A 13 -8.722 -1.846 9.560 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.744 -2.082 10.720 1.00 0.00 C ATOM 249 CG2 VAL A 13 -9.030 -0.342 9.520 1.00 0.00 C ATOM 0 H VAL A 13 -9.850 -2.758 7.062 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.234 -1.785 8.043 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.635 -2.419 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.185 -1.717 11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.538 -3.149 10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.814 -1.548 10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.427 -0.026 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.116 0.211 9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.766 -0.142 8.741 1.00 0.00 H new ATOM 259 N LYS A 14 -6.546 -4.194 8.265 1.00 0.00 N ATOM 260 CA LYS A 14 -6.047 -5.579 8.385 1.00 0.00 C ATOM 261 C LYS A 14 -4.957 -5.677 9.466 1.00 0.00 C ATOM 262 O LYS A 14 -4.077 -4.814 9.501 1.00 0.00 O ATOM 263 CB LYS A 14 -5.522 -6.120 7.035 1.00 0.00 C ATOM 264 CG LYS A 14 -6.552 -6.142 5.892 1.00 0.00 C ATOM 265 CD LYS A 14 -7.640 -7.202 6.098 1.00 0.00 C ATOM 266 CE LYS A 14 -8.609 -7.207 4.918 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.557 -8.341 5.017 1.00 0.00 N ATOM 0 H LYS A 14 -5.794 -3.509 8.189 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.890 -6.201 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.672 -5.513 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.151 -7.133 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.018 -5.160 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.039 -6.332 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.183 -8.186 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.183 -7.000 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.161 -6.268 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.051 -7.275 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.297 -8.239 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.047 -9.234 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.994 -8.347 5.961 1.00 0.00 H new ATOM 281 N PRO A 15 -4.968 -6.712 10.327 1.00 0.00 N ATOM 282 CA PRO A 15 -4.037 -6.833 11.455 1.00 0.00 C ATOM 283 C PRO A 15 -2.618 -7.287 11.079 1.00 0.00 C ATOM 284 O PRO A 15 -1.716 -7.204 11.911 1.00 0.00 O ATOM 285 CB PRO A 15 -4.674 -7.868 12.382 1.00 0.00 C ATOM 286 CG PRO A 15 -5.455 -8.764 11.424 1.00 0.00 C ATOM 287 CD PRO A 15 -5.957 -7.782 10.373 1.00 0.00 C ATOM 0 HA PRO A 15 -3.896 -5.850 11.904 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.921 -8.430 12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.328 -7.400 13.118 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.822 -9.536 10.986 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.277 -9.273 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.056 -8.266 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.941 -7.394 10.638 1.00 0.00 H new ATOM 295 N ASP A 16 -2.419 -7.805 9.864 1.00 0.00 N ATOM 296 CA ASP A 16 -1.159 -8.408 9.424 1.00 0.00 C ATOM 297 C ASP A 16 -0.767 -7.920 8.024 1.00 0.00 C ATOM 298 O ASP A 16 -1.381 -8.288 7.019 1.00 0.00 O ATOM 299 CB ASP A 16 -1.292 -9.936 9.472 1.00 0.00 C ATOM 300 CG ASP A 16 0.017 -10.637 9.071 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.009 -11.496 8.158 1.00 0.00 O ATOM 302 OD2 ASP A 16 1.070 -10.345 9.685 1.00 0.00 O ATOM 0 H ASP A 16 -3.143 -7.817 9.146 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.359 -8.100 10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.576 -10.245 10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.093 -10.252 8.804 1.00 0.00 H new ATOM 307 N VAL A 17 0.273 -7.089 7.972 1.00 0.00 N ATOM 308 CA VAL A 17 0.932 -6.634 6.741 1.00 0.00 C ATOM 309 C VAL A 17 2.438 -6.462 6.979 1.00 0.00 C ATOM 310 O VAL A 17 2.869 -6.068 8.068 1.00 0.00 O ATOM 311 CB VAL A 17 0.252 -5.363 6.183 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.510 -4.101 7.015 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.663 -5.073 4.737 1.00 0.00 C ATOM 0 H VAL A 17 0.697 -6.698 8.813 1.00 0.00 H new ATOM 0 HA VAL A 17 0.819 -7.396 5.970 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.812 -5.594 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.001 -3.253 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.133 -4.249 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.581 -3.902 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.159 -4.171 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.742 -4.928 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.380 -5.913 4.103 1.00 0.00 H new ATOM 323 N SER A 18 3.241 -6.776 5.963 1.00 0.00 N ATOM 324 CA SER A 18 4.711 -6.746 6.024 1.00 0.00 C ATOM 325 C SER A 18 5.291 -5.833 4.948 1.00 0.00 C ATOM 326 O SER A 18 4.831 -5.883 3.808 1.00 0.00 O ATOM 327 CB SER A 18 5.288 -8.154 5.845 1.00 0.00 C ATOM 328 OG SER A 18 4.780 -9.060 6.811 1.00 0.00 O ATOM 0 H SER A 18 2.885 -7.065 5.052 1.00 0.00 H new ATOM 0 HA SER A 18 4.986 -6.359 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.052 -8.519 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.375 -8.114 5.921 1.00 0.00 H new ATOM 0 HG SER A 18 5.169 -9.947 6.664 1.00 0.00 H new ATOM 334 N VAL A 19 6.301 -5.026 5.294 1.00 0.00 N ATOM 335 CA VAL A 19 7.006 -4.104 4.384 1.00 0.00 C ATOM 336 C VAL A 19 8.349 -4.672 3.947 1.00 0.00 C ATOM 337 O VAL A 19 9.165 -5.077 4.775 1.00 0.00 O ATOM 338 CB VAL A 19 7.194 -2.707 5.010 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.076 -1.777 4.157 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.847 -2.001 5.183 1.00 0.00 C ATOM 0 H VAL A 19 6.665 -4.993 6.246 1.00 0.00 H new ATOM 0 HA VAL A 19 6.375 -3.993 3.502 1.00 0.00 H new ATOM 0 HB VAL A 19 7.680 -2.888 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.170 -0.810 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.064 -2.221 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.619 -1.641 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.006 -1.018 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.368 -1.888 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.207 -2.594 5.836 1.00 0.00 H new ATOM 350 N TYR A 20 8.611 -4.602 2.646 1.00 0.00 N ATOM 351 CA TYR A 20 9.903 -4.902 2.035 1.00 0.00 C ATOM 352 C TYR A 20 10.259 -3.790 1.043 1.00 0.00 C ATOM 353 O TYR A 20 9.521 -3.518 0.095 1.00 0.00 O ATOM 354 CB TYR A 20 9.909 -6.294 1.370 1.00 0.00 C ATOM 355 CG TYR A 20 8.729 -7.201 1.678 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.751 -8.042 2.806 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.604 -7.187 0.834 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.659 -8.887 3.081 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.508 -8.027 1.105 1.00 0.00 C ATOM 360 CZ TYR A 20 6.538 -8.888 2.223 1.00 0.00 C ATOM 361 OH TYR A 20 5.498 -9.733 2.461 1.00 0.00 O ATOM 0 H TYR A 20 7.905 -4.325 1.963 1.00 0.00 H new ATOM 0 HA TYR A 20 10.666 -4.936 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.959 -6.155 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.822 -6.810 1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.608 -8.039 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.581 -6.531 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.679 -9.533 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.644 -8.013 0.457 1.00 0.00 H new ATOM 0 HH TYR A 20 5.568 -10.090 3.371 1.00 0.00 H new ATOM 371 N ARG A 21 11.402 -3.135 1.261 1.00 0.00 N ATOM 372 CA ARG A 21 11.943 -2.129 0.329 1.00 0.00 C ATOM 373 C ARG A 21 12.351 -2.801 -0.989 1.00 0.00 C ATOM 374 O ARG A 21 13.022 -3.835 -0.986 1.00 0.00 O ATOM 375 CB ARG A 21 13.103 -1.342 0.961 1.00 0.00 C ATOM 376 CG ARG A 21 12.679 -0.637 2.260 1.00 0.00 C ATOM 377 CD ARG A 21 13.769 0.314 2.764 1.00 0.00 C ATOM 378 NE ARG A 21 13.475 0.757 4.137 1.00 0.00 N ATOM 379 CZ ARG A 21 14.011 1.751 4.814 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.668 1.894 6.058 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.868 2.585 4.297 1.00 0.00 N ATOM 0 H ARG A 21 11.982 -3.283 2.087 1.00 0.00 H new ATOM 0 HA ARG A 21 11.162 -1.401 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.930 -2.020 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.469 -0.602 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.759 -0.079 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.462 -1.382 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.737 -0.186 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.839 1.179 2.104 1.00 0.00 H new ATOM 0 HE ARG A 21 12.760 0.222 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.003 1.247 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.064 2.653 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.154 2.484 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.253 3.339 4.866 1.00 0.00 H new ATOM 395 N ILE A 22 11.909 -2.229 -2.108 1.00 0.00 N ATOM 396 CA ILE A 22 11.981 -2.854 -3.440 1.00 0.00 C ATOM 397 C ILE A 22 13.288 -2.527 -4.196 1.00 0.00 C ATOM 398 O ILE A 22 13.851 -1.445 -4.002 1.00 0.00 O ATOM 399 CB ILE A 22 10.730 -2.509 -4.286 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.605 -0.997 -4.581 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.467 -3.066 -3.609 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.367 -0.645 -5.409 1.00 0.00 C ATOM 0 H ILE A 22 11.483 -1.303 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 22 11.994 -3.931 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 22 10.846 -2.989 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.571 -0.451 -3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.496 -0.662 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.592 -2.819 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.550 -4.149 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.361 -2.626 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.338 0.431 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.410 -1.165 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.470 -0.950 -4.870 1.00 0.00 H new ATOM 532 N TYR A 31 7.441 -5.144 -11.295 1.00 0.00 N ATOM 533 CA TYR A 31 7.590 -5.768 -9.988 1.00 0.00 C ATOM 534 C TYR A 31 6.958 -7.163 -9.988 1.00 0.00 C ATOM 535 O TYR A 31 5.834 -7.322 -10.446 1.00 0.00 O ATOM 536 CB TYR A 31 6.905 -4.883 -8.950 1.00 0.00 C ATOM 537 CG TYR A 31 7.321 -3.424 -8.933 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.372 -2.446 -8.572 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.644 -3.042 -9.240 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.754 -1.098 -8.468 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.042 -1.708 -9.056 1.00 0.00 C ATOM 542 CZ TYR A 31 8.096 -0.724 -8.696 1.00 0.00 C ATOM 543 OH TYR A 31 8.479 0.579 -8.593 1.00 0.00 O ATOM 0 HA TYR A 31 8.648 -5.875 -9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.829 -4.930 -9.116 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.094 -5.304 -7.963 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.350 -2.733 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.347 -3.772 -9.614 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.020 -0.347 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.078 -1.433 -9.191 1.00 0.00 H new ATOM 0 HH TYR A 31 9.438 0.654 -8.782 1.00 0.00 H new ATOM 553 N ARG A 32 7.640 -8.170 -9.443 1.00 0.00 N ATOM 554 CA ARG A 32 7.224 -9.592 -9.517 1.00 0.00 C ATOM 555 C ARG A 32 7.134 -10.300 -8.172 1.00 0.00 C ATOM 556 O ARG A 32 7.116 -11.526 -8.134 1.00 0.00 O ATOM 557 CB ARG A 32 8.044 -10.374 -10.569 1.00 0.00 C ATOM 558 CG ARG A 32 9.574 -10.272 -10.453 1.00 0.00 C ATOM 559 CD ARG A 32 10.127 -9.037 -11.178 1.00 0.00 C ATOM 560 NE ARG A 32 11.595 -8.980 -11.099 1.00 0.00 N ATOM 561 CZ ARG A 32 12.371 -7.972 -11.450 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.654 -8.030 -11.245 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.900 -6.883 -11.987 1.00 0.00 N ATOM 0 H ARG A 32 8.510 -8.031 -8.929 1.00 0.00 H new ATOM 0 HA ARG A 32 6.191 -9.575 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.766 -11.426 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.752 -10.025 -11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.855 -10.230 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.029 -11.170 -10.869 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.818 -9.058 -12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.702 -8.135 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 32 12.064 -9.809 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.064 -8.857 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.250 -7.248 -11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.898 -6.787 -12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.533 -6.126 -12.244 1.00 0.00 H new ATOM 577 N ALA A 33 7.054 -9.526 -7.092 1.00 0.00 N ATOM 578 CA ALA A 33 7.084 -9.930 -5.683 1.00 0.00 C ATOM 579 C ALA A 33 8.336 -10.724 -5.242 1.00 0.00 C ATOM 580 O ALA A 33 8.991 -10.353 -4.272 1.00 0.00 O ATOM 581 CB ALA A 33 5.765 -10.644 -5.386 1.00 0.00 C ATOM 0 H ALA A 33 6.958 -8.515 -7.185 1.00 0.00 H new ATOM 0 HA ALA A 33 7.178 -9.033 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.750 -10.961 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.933 -9.964 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.670 -11.517 -6.032 1.00 0.00 H new ATOM 587 N SER A 34 8.720 -11.771 -5.974 1.00 0.00 N ATOM 588 CA SER A 34 9.832 -12.680 -5.664 1.00 0.00 C ATOM 589 C SER A 34 11.221 -12.025 -5.694 1.00 0.00 C ATOM 590 O SER A 34 12.167 -12.569 -5.122 1.00 0.00 O ATOM 591 CB SER A 34 9.818 -13.869 -6.632 1.00 0.00 C ATOM 592 OG SER A 34 8.591 -14.576 -6.532 1.00 0.00 O ATOM 0 H SER A 34 8.244 -12.023 -6.840 1.00 0.00 H new ATOM 0 HA SER A 34 9.667 -13.002 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.959 -13.516 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.649 -14.538 -6.408 1.00 0.00 H new ATOM 0 HG SER A 34 8.597 -15.331 -7.157 1.00 0.00 H new ATOM 598 N ASP A 35 11.356 -10.854 -6.326 1.00 0.00 N ATOM 599 CA ASP A 35 12.588 -10.050 -6.296 1.00 0.00 C ATOM 600 C ASP A 35 12.700 -9.146 -5.049 1.00 0.00 C ATOM 601 O ASP A 35 13.756 -8.555 -4.812 1.00 0.00 O ATOM 602 CB ASP A 35 12.709 -9.242 -7.596 1.00 0.00 C ATOM 603 CG ASP A 35 13.295 -10.080 -8.741 1.00 0.00 C ATOM 604 OD1 ASP A 35 12.586 -10.952 -9.289 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.426 -9.786 -9.194 1.00 0.00 O ATOM 0 H ASP A 35 10.609 -10.432 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 35 13.427 -10.742 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.726 -8.871 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.341 -8.371 -7.424 1.00 0.00 H new ATOM 610 N TRP A 36 11.643 -9.036 -4.236 1.00 0.00 N ATOM 611 CA TRP A 36 11.639 -8.312 -2.970 1.00 0.00 C ATOM 612 C TRP A 36 12.065 -9.233 -1.815 1.00 0.00 C ATOM 613 O TRP A 36 12.113 -10.461 -1.941 1.00 0.00 O ATOM 614 CB TRP A 36 10.242 -7.735 -2.699 1.00 0.00 C ATOM 615 CG TRP A 36 9.499 -7.009 -3.790 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.984 -6.557 -4.975 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.093 -6.617 -3.772 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.987 -5.894 -5.670 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.820 -5.852 -4.944 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.023 -6.815 -2.873 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.579 -5.250 -5.173 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.764 -6.228 -3.099 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.547 -5.440 -4.242 1.00 0.00 C ATOM 0 H TRP A 36 10.742 -9.463 -4.452 1.00 0.00 H new ATOM 0 HA TRP A 36 12.355 -7.493 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.610 -8.560 -2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.333 -7.048 -1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.997 -6.694 -5.324 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.103 -5.490 -6.599 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.173 -7.428 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.417 -4.647 -6.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.963 -6.384 -2.392 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.584 -4.980 -4.404 1.00 0.00 H new ATOM 634 N LYS A 37 12.323 -8.642 -0.647 1.00 0.00 N ATOM 635 CA LYS A 37 12.740 -9.350 0.578 1.00 0.00 C ATOM 636 C LYS A 37 11.569 -9.977 1.350 1.00 0.00 C ATOM 637 O LYS A 37 11.389 -9.716 2.538 1.00 0.00 O ATOM 638 CB LYS A 37 13.600 -8.436 1.463 1.00 0.00 C ATOM 639 CG LYS A 37 14.850 -7.895 0.759 1.00 0.00 C ATOM 640 CD LYS A 37 15.995 -7.611 1.745 1.00 0.00 C ATOM 641 CE LYS A 37 15.546 -6.879 3.019 1.00 0.00 C ATOM 642 NZ LYS A 37 16.706 -6.496 3.867 1.00 0.00 N ATOM 0 H LYS A 37 12.248 -7.633 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 37 13.354 -10.194 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.993 -7.597 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.905 -8.988 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.185 -8.616 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.597 -6.979 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.464 -8.554 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.756 -7.014 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.983 -5.986 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.873 -7.519 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.366 -6.004 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.229 -7.350 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.335 -5.865 3.330 1.00 0.00 H new ATOM 656 N LEU A 38 10.777 -10.817 0.682 1.00 0.00 N ATOM 657 CA LEU A 38 9.522 -11.388 1.203 1.00 0.00 C ATOM 658 C LEU A 38 9.655 -12.126 2.550 1.00 0.00 C ATOM 659 O LEU A 38 8.721 -12.129 3.353 1.00 0.00 O ATOM 660 CB LEU A 38 8.957 -12.367 0.163 1.00 0.00 C ATOM 661 CG LEU A 38 8.612 -11.757 -1.208 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.912 -12.820 -2.059 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.700 -10.535 -1.097 1.00 0.00 C ATOM 0 H LEU A 38 10.992 -11.131 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 38 8.860 -10.541 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.682 -13.167 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.057 -12.825 0.573 1.00 0.00 H new ATOM 0 HG LEU A 38 9.545 -11.429 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.662 -12.400 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.575 -13.675 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.999 -13.143 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.490 -10.146 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.765 -10.821 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.194 -9.765 -0.504 1.00 0.00 H new ATOM 675 N ASP A 39 10.811 -12.743 2.804 1.00 0.00 N ATOM 676 CA ASP A 39 11.098 -13.493 4.038 1.00 0.00 C ATOM 677 C ASP A 39 11.724 -12.617 5.147 1.00 0.00 C ATOM 678 O ASP A 39 11.901 -13.068 6.280 1.00 0.00 O ATOM 679 CB ASP A 39 12.003 -14.680 3.664 1.00 0.00 C ATOM 680 CG ASP A 39 12.197 -15.682 4.816 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.196 -16.285 5.273 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.360 -15.911 5.233 1.00 0.00 O ATOM 0 H ASP A 39 11.592 -12.738 2.148 1.00 0.00 H new ATOM 0 HA ASP A 39 10.161 -13.851 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.574 -15.200 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.977 -14.302 3.352 1.00 0.00 H new ATOM 687 N GLN A 40 12.094 -11.372 4.817 1.00 0.00 N ATOM 688 CA GLN A 40 12.986 -10.506 5.604 1.00 0.00 C ATOM 689 C GLN A 40 12.457 -9.063 5.663 1.00 0.00 C ATOM 690 O GLN A 40 13.031 -8.175 5.017 1.00 0.00 O ATOM 691 CB GLN A 40 14.386 -10.542 4.963 1.00 0.00 C ATOM 692 CG GLN A 40 15.079 -11.889 5.128 1.00 0.00 C ATOM 693 CD GLN A 40 16.116 -12.134 4.035 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.315 -11.974 4.222 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.691 -12.510 2.843 1.00 0.00 N ATOM 0 H GLN A 40 11.768 -10.922 3.962 1.00 0.00 H new ATOM 0 HA GLN A 40 13.032 -10.873 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.300 -10.311 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.005 -9.764 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.563 -11.931 6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.335 -12.685 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.694 -12.646 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.360 -12.664 2.088 1.00 0.00 H new ATOM 704 N PRO A 41 11.360 -8.792 6.397 1.00 0.00 N ATOM 705 CA PRO A 41 10.740 -7.482 6.326 1.00 0.00 C ATOM 706 C PRO A 41 11.599 -6.376 6.953 1.00 0.00 C ATOM 707 O PRO A 41 12.296 -6.591 7.948 1.00 0.00 O ATOM 708 CB PRO A 41 9.365 -7.596 7.003 1.00 0.00 C ATOM 709 CG PRO A 41 9.094 -9.100 6.999 1.00 0.00 C ATOM 710 CD PRO A 41 10.492 -9.702 7.130 1.00 0.00 C ATOM 0 HA PRO A 41 10.633 -7.184 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.381 -7.193 8.016 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.600 -7.048 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.448 -9.396 7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.602 -9.419 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.793 -9.780 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.530 -10.708 6.712 1.00 0.00 H new ATOM 718 N ASP A 42 11.495 -5.165 6.408 1.00 0.00 N ATOM 719 CA ASP A 42 12.029 -3.950 7.035 1.00 0.00 C ATOM 720 C ASP A 42 11.185 -3.535 8.258 1.00 0.00 C ATOM 721 O ASP A 42 11.705 -2.968 9.222 1.00 0.00 O ATOM 722 CB ASP A 42 12.069 -2.836 5.980 1.00 0.00 C ATOM 723 CG ASP A 42 12.755 -1.561 6.492 1.00 0.00 C ATOM 724 OD1 ASP A 42 13.914 -1.635 6.960 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.166 -0.462 6.350 1.00 0.00 O ATOM 0 H ASP A 42 11.036 -4.995 5.513 1.00 0.00 H new ATOM 0 HA ASP A 42 13.038 -4.140 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.595 -3.197 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.051 -2.597 5.671 1.00 0.00 H new ATOM 730 N TRP A 43 9.887 -3.859 8.226 1.00 0.00 N ATOM 731 CA TRP A 43 8.907 -3.642 9.294 1.00 0.00 C ATOM 732 C TRP A 43 7.691 -4.570 9.111 1.00 0.00 C ATOM 733 O TRP A 43 7.365 -4.960 7.986 1.00 0.00 O ATOM 734 CB TRP A 43 8.485 -2.165 9.261 1.00 0.00 C ATOM 735 CG TRP A 43 7.336 -1.770 10.133 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.414 -1.279 11.391 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.918 -1.777 9.793 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.146 -0.954 11.839 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.191 -1.197 10.872 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.181 -2.204 8.669 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.807 -0.985 10.809 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.791 -1.985 8.595 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.104 -1.376 9.658 1.00 0.00 C ATOM 0 H TRP A 43 9.470 -4.304 7.408 1.00 0.00 H new ATOM 0 HA TRP A 43 9.348 -3.877 10.263 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.347 -1.560 9.541 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.235 -1.907 8.232 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.325 -1.159 11.958 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.942 -0.582 12.767 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.687 -2.704 7.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.287 -0.526 11.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.248 -2.289 7.712 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.039 -1.209 9.590 1.00 0.00 H new ATOM 754 N THR A 44 6.989 -4.893 10.202 1.00 0.00 N ATOM 755 CA THR A 44 5.668 -5.551 10.177 1.00 0.00 C ATOM 756 C THR A 44 4.678 -4.868 11.117 1.00 0.00 C ATOM 757 O THR A 44 5.053 -4.344 12.169 1.00 0.00 O ATOM 758 CB THR A 44 5.729 -7.046 10.525 1.00 0.00 C ATOM 759 OG1 THR A 44 6.290 -7.278 11.801 1.00 0.00 O ATOM 760 CG2 THR A 44 6.534 -7.853 9.519 1.00 0.00 C ATOM 0 H THR A 44 7.324 -4.703 11.146 1.00 0.00 H new ATOM 0 HA THR A 44 5.325 -5.455 9.147 1.00 0.00 H new ATOM 0 HB THR A 44 4.689 -7.372 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.616 -8.201 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.542 -8.902 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.081 -7.760 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.557 -7.477 9.486 1.00 0.00 H new ATOM 768 N GLY A 45 3.395 -4.909 10.759 1.00 0.00 N ATOM 769 CA GLY A 45 2.327 -4.291 11.545 1.00 0.00 C ATOM 770 C GLY A 45 0.950 -4.428 10.903 1.00 0.00 C ATOM 771 O GLY A 45 0.610 -5.486 10.370 1.00 0.00 O ATOM 0 H GLY A 45 3.066 -5.373 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.305 -4.745 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.552 -3.234 11.683 1.00 0.00 H new ATOM 775 N ARG A 46 0.156 -3.357 10.983 1.00 0.00 N ATOM 776 CA ARG A 46 -1.253 -3.292 10.573 1.00 0.00 C ATOM 777 C ARG A 46 -1.453 -2.357 9.378 1.00 0.00 C ATOM 778 O ARG A 46 -0.828 -1.298 9.287 1.00 0.00 O ATOM 779 CB ARG A 46 -2.119 -2.833 11.759 1.00 0.00 C ATOM 780 CG ARG A 46 -1.954 -3.710 13.014 1.00 0.00 C ATOM 781 CD ARG A 46 -2.908 -3.302 14.144 1.00 0.00 C ATOM 782 NE ARG A 46 -2.517 -2.011 14.739 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.007 -0.814 14.486 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.455 0.222 15.027 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.003 -0.573 13.687 1.00 0.00 N ATOM 0 H ARG A 46 0.492 -2.468 11.353 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.560 -4.291 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.863 -1.803 12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.166 -2.837 11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.132 -4.753 12.751 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.926 -3.642 13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.924 -3.233 13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.912 -4.073 14.915 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.772 -2.049 15.435 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.649 0.108 15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.825 1.154 14.839 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.465 -1.342 13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.323 0.385 13.545 1.00 0.00 H new ATOM 799 N LEU A 47 -2.375 -2.734 8.495 1.00 0.00 N ATOM 800 CA LEU A 47 -2.899 -1.884 7.427 1.00 0.00 C ATOM 801 C LEU A 47 -4.018 -0.988 7.967 1.00 0.00 C ATOM 802 O LEU A 47 -4.915 -1.467 8.664 1.00 0.00 O ATOM 803 CB LEU A 47 -3.454 -2.769 6.293 1.00 0.00 C ATOM 804 CG LEU A 47 -4.117 -1.995 5.131 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.084 -1.261 4.278 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.921 -2.948 4.255 1.00 0.00 C ATOM 0 H LEU A 47 -2.790 -3.666 8.503 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.094 -1.257 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.640 -3.373 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.185 -3.459 6.715 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.782 -1.251 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.589 -0.729 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.540 -0.548 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.384 -1.981 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.383 -2.391 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.259 -3.710 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.697 -3.426 4.854 1.00 0.00 H new ATOM 818 N ARG A 48 -4.034 0.263 7.511 1.00 0.00 N ATOM 819 CA ARG A 48 -5.207 1.141 7.475 1.00 0.00 C ATOM 820 C ARG A 48 -5.284 1.806 6.098 1.00 0.00 C ATOM 821 O ARG A 48 -4.278 2.256 5.556 1.00 0.00 O ATOM 822 CB ARG A 48 -5.133 2.127 8.660 1.00 0.00 C ATOM 823 CG ARG A 48 -5.725 3.528 8.430 1.00 0.00 C ATOM 824 CD ARG A 48 -5.424 4.365 9.675 1.00 0.00 C ATOM 825 NE ARG A 48 -5.767 5.789 9.521 1.00 0.00 N ATOM 826 CZ ARG A 48 -5.719 6.668 10.509 1.00 0.00 C ATOM 827 NH1 ARG A 48 -6.087 7.903 10.338 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.287 6.357 11.698 1.00 0.00 N ATOM 0 H ARG A 48 -3.197 0.713 7.141 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.138 0.588 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.645 1.676 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.087 2.242 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.288 3.988 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.800 3.467 8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.976 3.956 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.364 4.278 9.914 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.058 6.116 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.422 8.214 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.041 8.561 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.970 5.407 11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.265 7.063 12.434 1.00 0.00 H new ATOM 842 N ILE A 49 -6.486 1.894 5.546 1.00 0.00 N ATOM 843 CA ILE A 49 -6.821 2.733 4.395 1.00 0.00 C ATOM 844 C ILE A 49 -7.907 3.703 4.843 1.00 0.00 C ATOM 845 O ILE A 49 -8.872 3.313 5.499 1.00 0.00 O ATOM 846 CB ILE A 49 -7.233 1.915 3.151 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.189 0.819 2.844 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.420 2.860 1.948 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.477 0.038 1.559 1.00 0.00 C ATOM 0 H ILE A 49 -7.285 1.366 5.897 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.937 3.282 4.071 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.181 1.415 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.204 1.279 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.150 0.122 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.711 2.280 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.198 3.589 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.484 3.380 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.702 -0.714 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.447 -0.452 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.487 0.723 0.711 1.00 0.00 H new ATOM 861 N THR A 50 -7.719 4.966 4.498 1.00 0.00 N ATOM 862 CA THR A 50 -8.447 6.137 4.997 1.00 0.00 C ATOM 863 C THR A 50 -8.698 7.113 3.835 1.00 0.00 C ATOM 864 O THR A 50 -8.090 6.958 2.777 1.00 0.00 O ATOM 865 CB THR A 50 -7.685 6.762 6.184 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.390 6.248 6.446 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.445 6.472 7.472 1.00 0.00 C ATOM 0 H THR A 50 -7.007 5.226 3.816 1.00 0.00 H new ATOM 0 HA THR A 50 -9.426 5.852 5.383 1.00 0.00 H new ATOM 0 HB THR A 50 -7.598 7.810 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.882 6.199 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.912 6.911 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.444 6.903 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.523 5.394 7.613 1.00 0.00 H new ATOM 875 N SER A 51 -9.620 8.076 3.942 1.00 0.00 N ATOM 876 CA SER A 51 -10.053 8.883 2.786 1.00 0.00 C ATOM 877 C SER A 51 -10.720 10.197 3.165 1.00 0.00 C ATOM 878 O SER A 51 -11.594 10.258 4.029 1.00 0.00 O ATOM 879 CB SER A 51 -10.979 8.067 1.877 1.00 0.00 C ATOM 880 OG SER A 51 -12.155 7.650 2.548 1.00 0.00 O ATOM 0 H SER A 51 -10.084 8.319 4.817 1.00 0.00 H new ATOM 0 HA SER A 51 -9.141 9.146 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.251 8.665 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.444 7.192 1.507 1.00 0.00 H new ATOM 0 HG SER A 51 -11.917 7.272 3.420 1.00 0.00 H new ATOM 886 N LYS A 52 -10.284 11.270 2.508 1.00 0.00 N ATOM 887 CA LYS A 52 -10.873 12.598 2.574 1.00 0.00 C ATOM 888 C LYS A 52 -10.482 13.526 1.426 1.00 0.00 C ATOM 889 O LYS A 52 -9.331 13.609 1.021 1.00 0.00 O ATOM 890 CB LYS A 52 -10.705 13.254 3.935 1.00 0.00 C ATOM 891 CG LYS A 52 -9.454 13.057 4.744 1.00 0.00 C ATOM 892 CD LYS A 52 -8.503 14.239 4.738 1.00 0.00 C ATOM 893 CE LYS A 52 -7.459 13.711 5.698 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.384 14.687 5.991 1.00 0.00 N ATOM 0 H LYS A 52 -9.474 11.231 1.889 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.940 12.424 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.823 14.328 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.539 12.923 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.734 12.839 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.927 12.182 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.097 14.447 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.972 15.158 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.945 13.426 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.015 12.807 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.703 14.264 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.897 14.942 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.797 15.541 6.417 1.00 0.00 H new ATOM 908 N GLY A 53 -11.483 14.238 0.929 1.00 0.00 N ATOM 909 CA GLY A 53 -11.359 15.326 -0.059 1.00 0.00 C ATOM 910 C GLY A 53 -10.862 14.869 -1.435 1.00 0.00 C ATOM 911 O GLY A 53 -9.907 15.437 -1.968 1.00 0.00 O ATOM 0 H GLY A 53 -12.450 14.074 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.330 15.807 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.675 16.080 0.331 1.00 0.00 H new ATOM 915 N LYS A 54 -11.475 13.807 -1.983 1.00 0.00 N ATOM 916 CA LYS A 54 -11.084 13.129 -3.244 1.00 0.00 C ATOM 917 C LYS A 54 -9.624 12.645 -3.238 1.00 0.00 C ATOM 918 O LYS A 54 -8.966 12.568 -4.273 1.00 0.00 O ATOM 919 CB LYS A 54 -11.456 13.977 -4.477 1.00 0.00 C ATOM 920 CG LYS A 54 -12.966 14.257 -4.558 1.00 0.00 C ATOM 921 CD LYS A 54 -13.372 15.067 -5.797 1.00 0.00 C ATOM 922 CE LYS A 54 -12.765 16.477 -5.799 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.229 17.271 -6.968 1.00 0.00 N ATOM 0 H LYS A 54 -12.290 13.375 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.672 12.214 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.915 14.922 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.136 13.460 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.504 13.309 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.276 14.797 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.055 14.536 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.459 15.142 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.037 16.992 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.677 16.406 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.799 18.218 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.948 16.792 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.265 17.360 -6.938 1.00 0.00 H new ATOM 937 N THR A 55 -9.142 12.305 -2.045 1.00 0.00 N ATOM 938 CA THR A 55 -7.805 11.786 -1.756 1.00 0.00 C ATOM 939 C THR A 55 -7.949 10.587 -0.817 1.00 0.00 C ATOM 940 O THR A 55 -8.687 10.653 0.170 1.00 0.00 O ATOM 941 CB THR A 55 -6.923 12.877 -1.119 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.935 14.062 -1.894 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.461 12.458 -1.018 1.00 0.00 C ATOM 0 H THR A 55 -9.709 12.389 -1.201 1.00 0.00 H new ATOM 0 HA THR A 55 -7.319 11.475 -2.681 1.00 0.00 H new ATOM 0 HB THR A 55 -7.343 13.039 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.826 14.469 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.883 13.262 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.381 11.561 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.072 12.251 -2.015 1.00 0.00 H new ATOM 951 N ALA A 56 -7.264 9.487 -1.121 1.00 0.00 N ATOM 952 CA ALA A 56 -7.148 8.325 -0.242 1.00 0.00 C ATOM 953 C ALA A 56 -5.788 8.323 0.466 1.00 0.00 C ATOM 954 O ALA A 56 -4.832 8.955 0.022 1.00 0.00 O ATOM 955 CB ALA A 56 -7.419 7.035 -1.021 1.00 0.00 C ATOM 0 H ALA A 56 -6.764 9.376 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.907 8.384 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.328 6.180 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.426 7.066 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.695 6.940 -1.831 1.00 0.00 H new ATOM 961 N TYR A 57 -5.718 7.616 1.585 1.00 0.00 N ATOM 962 CA TYR A 57 -4.660 7.705 2.580 1.00 0.00 C ATOM 963 C TYR A 57 -4.366 6.296 3.119 1.00 0.00 C ATOM 964 O TYR A 57 -5.017 5.848 4.065 1.00 0.00 O ATOM 965 CB TYR A 57 -5.138 8.670 3.691 1.00 0.00 C ATOM 966 CG TYR A 57 -5.392 10.110 3.259 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.285 10.910 2.911 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.694 10.668 3.221 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.466 12.252 2.528 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.879 11.996 2.789 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.765 12.798 2.463 1.00 0.00 C ATOM 972 OH TYR A 57 -5.943 14.104 2.129 1.00 0.00 O ATOM 0 H TYR A 57 -6.432 6.932 1.835 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.733 8.094 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.058 8.272 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.392 8.676 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.290 10.490 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.545 10.075 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.610 12.864 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.877 12.401 2.707 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.889 14.265 1.929 1.00 0.00 H new ATOM 982 N ILE A 58 -3.412 5.572 2.524 1.00 0.00 N ATOM 983 CA ILE A 58 -2.938 4.293 3.081 1.00 0.00 C ATOM 984 C ILE A 58 -1.979 4.622 4.227 1.00 0.00 C ATOM 985 O ILE A 58 -0.889 5.137 3.977 1.00 0.00 O ATOM 986 CB ILE A 58 -2.269 3.374 2.024 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.209 2.940 0.875 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.759 2.090 2.708 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.318 3.950 -0.269 1.00 0.00 C ATOM 0 H ILE A 58 -2.951 5.847 1.657 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.794 3.722 3.441 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.464 3.967 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.856 1.990 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.204 2.763 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.289 1.444 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.030 2.351 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.597 1.565 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.997 3.565 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.702 4.895 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.333 4.110 -0.708 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.370 4.343 5.473 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.530 4.550 6.663 1.00 0.00 C ATOM 1003 C LYS A 59 -1.152 3.212 7.303 1.00 0.00 C ATOM 1004 O LYS A 59 -2.013 2.381 7.577 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.226 5.523 7.633 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.572 6.851 6.934 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.881 7.989 7.912 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.169 9.279 7.137 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.753 10.325 8.012 1.00 0.00 N ATOM 0 H LYS A 59 -3.291 3.962 5.690 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.588 5.015 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.136 5.065 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.577 5.716 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.739 7.146 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.433 6.697 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.740 7.726 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.038 8.140 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.246 9.650 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.855 9.066 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.935 11.183 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.647 9.980 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.088 10.546 8.780 1.00 0.00 H new ATOM 1023 N LEU A 60 0.137 2.991 7.538 1.00 0.00 N ATOM 1024 CA LEU A 60 0.671 1.788 8.186 1.00 0.00 C ATOM 1025 C LEU A 60 0.899 2.053 9.677 1.00 0.00 C ATOM 1026 O LEU A 60 1.520 3.052 10.041 1.00 0.00 O ATOM 1027 CB LEU A 60 1.952 1.341 7.456 1.00 0.00 C ATOM 1028 CG LEU A 60 1.718 0.236 6.411 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.655 0.576 5.363 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.024 -0.034 5.668 1.00 0.00 C ATOM 0 H LEU A 60 0.863 3.659 7.278 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.046 0.970 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.399 2.205 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.673 0.985 8.192 1.00 0.00 H new ATOM 0 HG LEU A 60 1.363 -0.630 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.553 -0.255 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.300 0.754 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.954 1.472 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.865 -0.816 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.354 0.877 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.786 -0.356 6.377 1.00 0.00 H new ATOM 1042 N GLU A 61 0.405 1.166 10.539 1.00 0.00 N ATOM 1043 CA GLU A 61 0.378 1.366 11.996 1.00 0.00 C ATOM 1044 C GLU A 61 0.948 0.173 12.771 1.00 0.00 C ATOM 1045 O GLU A 61 0.834 -0.979 12.348 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.049 1.624 12.495 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.786 2.835 11.908 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.153 3.063 12.596 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.622 2.189 13.368 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.771 4.128 12.359 1.00 0.00 O ATOM 0 H GLU A 61 0.006 0.274 10.246 1.00 0.00 H new ATOM 0 HA GLU A 61 1.008 2.236 12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.645 0.734 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.013 1.742 13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.169 3.726 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.937 2.686 10.839 1.00 0.00 H new ATOM 1057 N ASP A 62 1.542 0.426 13.936 1.00 0.00 N ATOM 1058 CA ASP A 62 2.149 -0.601 14.770 1.00 0.00 C ATOM 1059 C ASP A 62 1.097 -1.470 15.479 1.00 0.00 C ATOM 1060 O ASP A 62 0.034 -0.998 15.902 1.00 0.00 O ATOM 1061 CB ASP A 62 3.084 0.083 15.767 1.00 0.00 C ATOM 1062 CG ASP A 62 4.056 -0.916 16.393 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.655 -1.537 17.399 1.00 0.00 O ATOM 1064 OD2 ASP A 62 5.176 -1.100 15.864 1.00 0.00 O ATOM 0 H ASP A 62 1.614 1.364 14.329 1.00 0.00 H new ATOM 0 HA ASP A 62 2.719 -1.285 14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.644 0.871 15.262 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.496 0.561 16.550 1.00 0.00 H new ATOM 1069 N LYS A 63 1.420 -2.755 15.629 1.00 0.00 N ATOM 1070 CA LYS A 63 0.581 -3.798 16.246 1.00 0.00 C ATOM 1071 C LYS A 63 0.668 -3.885 17.773 1.00 0.00 C ATOM 1072 O LYS A 63 -0.115 -4.616 18.382 1.00 0.00 O ATOM 1073 CB LYS A 63 0.860 -5.155 15.561 1.00 0.00 C ATOM 1074 CG LYS A 63 2.366 -5.450 15.426 1.00 0.00 C ATOM 1075 CD LYS A 63 2.649 -6.850 14.877 1.00 0.00 C ATOM 1076 CE LYS A 63 4.109 -6.903 14.408 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.457 -8.217 13.811 1.00 0.00 N ATOM 0 H LYS A 63 2.317 -3.121 15.310 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.455 -3.506 16.073 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.387 -5.952 16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.402 -5.160 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.819 -4.708 14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.841 -5.344 16.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.471 -7.602 15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.977 -7.075 14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.283 -6.115 13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.768 -6.703 15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.131 -8.077 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.888 -8.825 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.596 -8.672 13.446 1.00 0.00 H new ATOM 1091 N VAL A 64 1.573 -3.128 18.388 1.00 0.00 N ATOM 1092 CA VAL A 64 1.779 -3.065 19.841 1.00 0.00 C ATOM 1093 C VAL A 64 1.626 -1.637 20.370 1.00 0.00 C ATOM 1094 O VAL A 64 0.954 -1.435 21.383 1.00 0.00 O ATOM 1095 CB VAL A 64 3.166 -3.641 20.197 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.486 -3.535 21.694 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.276 -5.122 19.805 1.00 0.00 C ATOM 0 H VAL A 64 2.208 -2.518 17.874 1.00 0.00 H new ATOM 0 HA VAL A 64 1.010 -3.669 20.323 1.00 0.00 H new ATOM 0 HB VAL A 64 3.879 -3.040 19.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.473 -3.955 21.886 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.473 -2.488 21.996 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.740 -4.087 22.266 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.265 -5.496 20.070 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.517 -5.696 20.336 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.124 -5.226 18.731 1.00 0.00 H new ATOM 1107 N SER A 65 2.200 -0.642 19.685 1.00 0.00 N ATOM 1108 CA SER A 65 2.219 0.752 20.160 1.00 0.00 C ATOM 1109 C SER A 65 1.082 1.605 19.586 1.00 0.00 C ATOM 1110 O SER A 65 0.737 2.640 20.156 1.00 0.00 O ATOM 1111 CB SER A 65 3.570 1.401 19.837 1.00 0.00 C ATOM 1112 OG SER A 65 4.621 0.732 20.517 1.00 0.00 O ATOM 0 H SER A 65 2.665 -0.777 18.787 1.00 0.00 H new ATOM 0 HA SER A 65 2.069 0.712 21.239 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.747 1.369 18.762 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.553 2.452 20.126 1.00 0.00 H new ATOM 0 HG SER A 65 5.476 1.158 20.298 1.00 0.00 H new ATOM 1118 N GLY A 66 0.503 1.189 18.453 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.554 1.927 17.745 1.00 0.00 C ATOM 1120 C GLY A 66 -0.043 3.140 16.954 1.00 0.00 C ATOM 1121 O GLY A 66 -0.839 3.925 16.437 1.00 0.00 O ATOM 0 H GLY A 66 0.759 0.315 17.993 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.062 1.247 17.061 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.296 2.264 18.469 1.00 0.00 H new ATOM 1125 N GLU A 67 1.278 3.309 16.873 1.00 0.00 N ATOM 1126 CA GLU A 67 1.950 4.458 16.267 1.00 0.00 C ATOM 1127 C GLU A 67 2.064 4.338 14.737 1.00 0.00 C ATOM 1128 O GLU A 67 2.055 3.235 14.189 1.00 0.00 O ATOM 1129 CB GLU A 67 3.310 4.668 16.956 1.00 0.00 C ATOM 1130 CG GLU A 67 4.382 3.629 16.601 1.00 0.00 C ATOM 1131 CD GLU A 67 5.698 3.928 17.347 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.556 4.666 16.806 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.883 3.427 18.483 1.00 0.00 O ATOM 0 H GLU A 67 1.934 2.621 17.243 1.00 0.00 H new ATOM 0 HA GLU A 67 1.341 5.347 16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.684 5.658 16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.159 4.659 18.035 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.029 2.631 16.861 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.559 3.634 15.525 1.00 0.00 H new ATOM 1140 N LEU A 68 2.188 5.471 14.041 1.00 0.00 N ATOM 1141 CA LEU A 68 2.343 5.516 12.584 1.00 0.00 C ATOM 1142 C LEU A 68 3.764 5.089 12.162 1.00 0.00 C ATOM 1143 O LEU A 68 4.753 5.660 12.627 1.00 0.00 O ATOM 1144 CB LEU A 68 2.006 6.938 12.091 1.00 0.00 C ATOM 1145 CG LEU A 68 1.955 7.080 10.556 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.684 6.462 9.973 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.974 8.554 10.156 1.00 0.00 C ATOM 0 H LEU A 68 2.184 6.393 14.477 1.00 0.00 H new ATOM 0 HA LEU A 68 1.655 4.808 12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.042 7.235 12.504 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.749 7.632 12.484 1.00 0.00 H new ATOM 0 HG LEU A 68 2.829 6.559 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.685 6.582 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.649 5.401 10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.189 6.962 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.938 8.637 9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.110 9.059 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.888 9.019 10.525 1.00 0.00 H new ATOM 1159 N PHE A 69 3.862 4.134 11.235 1.00 0.00 N ATOM 1160 CA PHE A 69 5.109 3.768 10.552 1.00 0.00 C ATOM 1161 C PHE A 69 5.353 4.663 9.327 1.00 0.00 C ATOM 1162 O PHE A 69 6.388 5.328 9.236 1.00 0.00 O ATOM 1163 CB PHE A 69 5.069 2.280 10.169 1.00 0.00 C ATOM 1164 CG PHE A 69 6.190 1.848 9.236 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.921 1.554 7.884 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.515 1.788 9.709 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.972 1.222 7.010 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.563 1.435 8.839 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.292 1.155 7.488 1.00 0.00 C ATOM 0 H PHE A 69 3.061 3.581 10.930 1.00 0.00 H new ATOM 0 HA PHE A 69 5.946 3.927 11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.116 1.681 11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.112 2.064 9.694 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.905 1.584 7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.728 2.014 10.744 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.764 1.018 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.576 1.379 9.209 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.097 0.889 6.819 1.00 0.00 H new ATOM 1179 N ALA A 70 4.389 4.699 8.400 1.00 0.00 N ATOM 1180 CA ALA A 70 4.446 5.464 7.155 1.00 0.00 C ATOM 1181 C ALA A 70 3.033 5.754 6.614 1.00 0.00 C ATOM 1182 O ALA A 70 2.077 5.060 6.968 1.00 0.00 O ATOM 1183 CB ALA A 70 5.267 4.658 6.137 1.00 0.00 C ATOM 0 H ALA A 70 3.519 4.177 8.502 1.00 0.00 H new ATOM 0 HA ALA A 70 4.919 6.429 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.324 5.209 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.273 4.498 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.787 3.695 5.964 1.00 0.00 H new ATOM 1189 N GLN A 71 2.898 6.751 5.731 1.00 0.00 N ATOM 1190 CA GLN A 71 1.627 7.082 5.075 1.00 0.00 C ATOM 1191 C GLN A 71 1.794 7.454 3.596 1.00 0.00 C ATOM 1192 O GLN A 71 2.693 8.214 3.240 1.00 0.00 O ATOM 1193 CB GLN A 71 0.877 8.164 5.872 1.00 0.00 C ATOM 1194 CG GLN A 71 1.562 9.542 5.963 1.00 0.00 C ATOM 1195 CD GLN A 71 1.001 10.565 4.973 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.201 10.750 4.831 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.837 11.292 4.270 1.00 0.00 N ATOM 0 H GLN A 71 3.671 7.354 5.450 1.00 0.00 H new ATOM 0 HA GLN A 71 1.016 6.179 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.107 8.300 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.717 7.794 6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.451 9.929 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.630 9.421 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.843 11.155 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.481 11.994 3.621 1.00 0.00 H new ATOM 1206 N ALA A 72 0.916 6.928 2.741 1.00 0.00 N ATOM 1207 CA ALA A 72 0.881 7.149 1.296 1.00 0.00 C ATOM 1208 C ALA A 72 -0.451 7.813 0.877 1.00 0.00 C ATOM 1209 O ALA A 72 -1.473 7.124 0.775 1.00 0.00 O ATOM 1210 CB ALA A 72 1.119 5.804 0.591 1.00 0.00 C ATOM 0 H ALA A 72 0.172 6.304 3.055 1.00 0.00 H new ATOM 0 HA ALA A 72 1.670 7.839 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.096 5.950 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.091 5.407 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.338 5.099 0.878 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.466 9.141 0.644 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.598 9.837 0.040 1.00 0.00 C ATOM 1218 C PRO A 73 -1.680 9.565 -1.473 1.00 0.00 C ATOM 1219 O PRO A 73 -0.662 9.510 -2.170 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.391 11.318 0.364 1.00 0.00 C ATOM 1221 CG PRO A 73 0.127 11.449 0.439 1.00 0.00 C ATOM 1222 CD PRO A 73 0.569 10.099 1.006 1.00 0.00 C ATOM 0 HA PRO A 73 -2.551 9.488 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.813 11.962 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.866 11.595 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.564 11.636 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.428 12.274 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.534 9.802 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.687 10.152 2.088 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.907 9.413 -1.971 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.262 8.988 -3.338 1.00 0.00 C ATOM 1232 C VAL A 74 -4.367 9.903 -3.873 1.00 0.00 C ATOM 1233 O VAL A 74 -5.406 10.032 -3.231 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.778 7.527 -3.341 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.903 6.974 -4.767 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.915 6.557 -2.528 1.00 0.00 C ATOM 0 H VAL A 74 -3.734 9.592 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.373 9.050 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.757 7.588 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.268 5.947 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.603 7.587 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.927 6.994 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.344 5.556 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.904 6.541 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.882 6.883 -1.488 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.190 10.528 -5.040 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.194 11.465 -5.594 1.00 0.00 C ATOM 1248 C GLU A 75 -6.228 10.786 -6.513 1.00 0.00 C ATOM 1249 O GLU A 75 -7.325 11.306 -6.715 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.483 12.608 -6.338 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.652 13.492 -5.396 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.027 14.673 -6.162 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -3.667 15.749 -6.258 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -1.887 14.540 -6.671 1.00 0.00 O ATOM 0 H GLU A 75 -3.364 10.408 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.756 11.861 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.833 12.189 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.225 13.222 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.284 13.868 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.866 12.897 -4.932 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.883 9.621 -7.071 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.751 8.750 -7.872 1.00 0.00 C ATOM 1263 C GLN A 76 -6.166 7.331 -7.946 1.00 0.00 C ATOM 1264 O GLN A 76 -4.941 7.173 -7.943 1.00 0.00 O ATOM 1265 CB GLN A 76 -6.970 9.327 -9.289 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.794 9.251 -10.284 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.562 10.060 -9.878 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.403 11.224 -10.224 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.639 9.480 -9.138 1.00 0.00 N ATOM 0 H GLN A 76 -4.942 9.240 -6.971 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.723 8.699 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.820 8.809 -9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.254 10.374 -9.184 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.504 8.207 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.137 9.600 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.757 8.511 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.806 10.000 -8.861 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.019 6.314 -8.077 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.618 4.916 -8.246 1.00 0.00 C ATOM 1280 C TYR A 77 -7.348 4.259 -9.440 1.00 0.00 C ATOM 1281 O TYR A 77 -8.575 4.380 -9.519 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.883 4.147 -6.946 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.328 2.740 -6.948 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -4.939 2.542 -7.023 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.196 1.634 -6.916 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.419 1.238 -7.125 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.677 0.325 -6.968 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.286 0.124 -7.087 1.00 0.00 C ATOM 1289 OH TYR A 77 -4.787 -1.139 -7.171 1.00 0.00 O ATOM 0 H TYR A 77 -8.031 6.442 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.551 4.883 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.448 4.699 -6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.958 4.104 -6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.271 3.390 -7.002 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.263 1.788 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.355 1.089 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.343 -0.523 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.886 -1.161 -6.786 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.646 3.552 -10.353 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.186 3.422 -10.453 1.00 0.00 C ATOM 1301 C PRO A 78 -4.461 4.756 -10.703 1.00 0.00 C ATOM 1302 O PRO A 78 -4.985 5.632 -11.396 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.928 2.420 -11.586 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.223 1.612 -11.646 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.278 2.666 -11.318 1.00 0.00 C ATOM 0 HA PRO A 78 -4.781 3.077 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.725 2.925 -12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.068 1.785 -11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.382 1.170 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.226 0.795 -10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.582 3.210 -12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.176 2.208 -10.903 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.262 4.903 -10.136 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.422 6.105 -10.209 1.00 0.00 C ATOM 1315 C GLY A 79 -0.956 5.816 -9.852 1.00 0.00 C ATOM 1316 O GLY A 79 -0.500 4.678 -9.967 1.00 0.00 O ATOM 0 H GLY A 79 -2.830 4.158 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.473 6.520 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.816 6.862 -9.531 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.207 6.836 -9.410 1.00 0.00 N ATOM 1321 CA ILE A 80 1.233 6.700 -9.102 1.00 0.00 C ATOM 1322 C ILE A 80 1.510 6.101 -7.714 1.00 0.00 C ATOM 1323 O ILE A 80 2.409 5.276 -7.565 1.00 0.00 O ATOM 1324 CB ILE A 80 1.978 8.040 -9.316 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.496 7.840 -9.090 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.428 9.176 -8.431 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.381 9.003 -9.547 1.00 0.00 C ATOM 0 H ILE A 80 -0.575 7.775 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 80 1.631 5.975 -9.812 1.00 0.00 H new ATOM 0 HB ILE A 80 1.807 8.350 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.670 7.668 -8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.810 6.938 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.988 10.091 -8.624 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.375 9.340 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.531 8.902 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.426 8.766 -9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.245 9.165 -10.616 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.103 9.907 -9.005 1.00 0.00 H new ATOM 1339 N ALA A 81 0.742 6.481 -6.689 1.00 0.00 N ATOM 1340 CA ALA A 81 1.052 6.190 -5.283 1.00 0.00 C ATOM 1341 C ALA A 81 0.647 4.780 -4.823 1.00 0.00 C ATOM 1342 O ALA A 81 0.784 4.471 -3.641 1.00 0.00 O ATOM 1343 CB ALA A 81 0.467 7.319 -4.426 1.00 0.00 C ATOM 0 H ALA A 81 -0.124 7.006 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 81 2.135 6.168 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.683 7.127 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.913 8.269 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.612 7.365 -4.572 1.00 0.00 H new ATOM 1349 N VAL A 82 0.188 3.931 -5.747 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.222 2.537 -5.523 1.00 0.00 C ATOM 1351 C VAL A 82 -0.015 1.733 -6.819 1.00 0.00 C ATOM 1352 O VAL A 82 -0.513 2.126 -7.874 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.706 2.440 -5.111 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.077 1.003 -4.712 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.141 3.355 -3.960 1.00 0.00 C ATOM 0 H VAL A 82 0.086 4.210 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 82 0.387 2.134 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.232 2.772 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.128 0.965 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.906 0.335 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.461 0.689 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.201 3.204 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.562 3.118 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.970 4.395 -4.238 1.00 0.00 H new ATOM 1365 N GLU A 83 0.675 0.594 -6.746 1.00 0.00 N ATOM 1366 CA GLU A 83 0.902 -0.342 -7.864 1.00 0.00 C ATOM 1367 C GLU A 83 0.804 -1.817 -7.445 1.00 0.00 C ATOM 1368 O GLU A 83 0.991 -2.166 -6.282 1.00 0.00 O ATOM 1369 CB GLU A 83 2.274 -0.107 -8.527 1.00 0.00 C ATOM 1370 CG GLU A 83 2.251 1.070 -9.502 1.00 0.00 C ATOM 1371 CD GLU A 83 3.448 1.015 -10.464 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.562 1.465 -10.108 1.00 0.00 O ATOM 1373 OE2 GLU A 83 3.299 0.509 -11.600 1.00 0.00 O ATOM 0 H GLU A 83 1.110 0.280 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 83 0.104 -0.136 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.021 0.077 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.579 -1.009 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.322 1.056 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.270 2.007 -8.946 1.00 0.00 H new ATOM 1380 N THR A 84 0.553 -2.690 -8.420 1.00 0.00 N ATOM 1381 CA THR A 84 0.512 -4.157 -8.288 1.00 0.00 C ATOM 1382 C THR A 84 1.809 -4.806 -8.786 1.00 0.00 C ATOM 1383 O THR A 84 2.537 -4.229 -9.598 1.00 0.00 O ATOM 1384 CB THR A 84 -0.683 -4.728 -9.076 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.628 -4.363 -10.444 1.00 0.00 O ATOM 1386 CG2 THR A 84 -2.013 -4.193 -8.545 1.00 0.00 C ATOM 0 H THR A 84 0.362 -2.384 -9.374 1.00 0.00 H new ATOM 0 HA THR A 84 0.400 -4.388 -7.229 1.00 0.00 H new ATOM 0 HB THR A 84 -0.621 -5.810 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.399 -4.743 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.833 -4.617 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.126 -4.473 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.030 -3.107 -8.634 1.00 0.00 H new ATOM 1394 N VAL A 85 2.085 -6.036 -8.344 1.00 0.00 N ATOM 1395 CA VAL A 85 3.090 -6.919 -8.958 1.00 0.00 C ATOM 1396 C VAL A 85 2.493 -7.678 -10.160 1.00 0.00 C ATOM 1397 O VAL A 85 1.285 -7.629 -10.408 1.00 0.00 O ATOM 1398 CB VAL A 85 3.664 -7.901 -7.923 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.290 -7.140 -6.753 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.603 -8.869 -7.405 1.00 0.00 C ATOM 0 H VAL A 85 1.614 -6.454 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 85 3.907 -6.296 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 85 4.433 -8.487 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.691 -7.850 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.095 -6.504 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.531 -6.523 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.051 -9.545 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.798 -8.307 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.201 -9.447 -8.237 1.00 0.00 H new ATOM 1410 N THR A 86 3.325 -8.425 -10.884 1.00 0.00 N ATOM 1411 CA THR A 86 2.948 -9.219 -12.066 1.00 0.00 C ATOM 1412 C THR A 86 2.664 -10.688 -11.741 1.00 0.00 C ATOM 1413 O THR A 86 1.847 -11.321 -12.412 1.00 0.00 O ATOM 1414 CB THR A 86 4.062 -9.160 -13.123 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.251 -9.727 -12.617 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.387 -7.724 -13.524 1.00 0.00 C ATOM 0 H THR A 86 4.317 -8.501 -10.661 1.00 0.00 H new ATOM 0 HA THR A 86 2.027 -8.776 -12.445 1.00 0.00 H new ATOM 0 HB THR A 86 3.697 -9.713 -13.988 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.951 -9.684 -13.301 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.179 -7.726 -14.273 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.497 -7.252 -13.939 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.718 -7.167 -12.647 1.00 0.00 H new ATOM 1424 N ASP A 87 3.333 -11.241 -10.723 1.00 0.00 N ATOM 1425 CA ASP A 87 3.396 -12.692 -10.495 1.00 0.00 C ATOM 1426 C ASP A 87 2.361 -13.212 -9.485 1.00 0.00 C ATOM 1427 O ASP A 87 1.769 -14.271 -9.712 1.00 0.00 O ATOM 1428 CB ASP A 87 4.815 -13.068 -10.057 1.00 0.00 C ATOM 1429 CG ASP A 87 5.009 -14.593 -10.023 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.950 -15.192 -8.923 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.223 -15.198 -11.101 1.00 0.00 O ATOM 0 H ASP A 87 3.848 -10.695 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 87 3.144 -13.175 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.538 -12.623 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.014 -12.653 -9.069 1.00 0.00 H new ATOM 1436 N SER A 88 2.129 -12.479 -8.386 1.00 0.00 N ATOM 1437 CA SER A 88 1.251 -12.940 -7.289 1.00 0.00 C ATOM 1438 C SER A 88 0.321 -11.846 -6.748 1.00 0.00 C ATOM 1439 O SER A 88 0.771 -10.826 -6.232 1.00 0.00 O ATOM 1440 CB SER A 88 2.105 -13.535 -6.164 1.00 0.00 C ATOM 1441 OG SER A 88 1.281 -14.062 -5.138 1.00 0.00 O ATOM 0 H SER A 88 2.538 -11.558 -8.229 1.00 0.00 H new ATOM 0 HA SER A 88 0.596 -13.706 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.746 -14.321 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.761 -12.767 -5.753 1.00 0.00 H new ATOM 0 HG SER A 88 1.842 -14.439 -4.429 1.00 0.00 H new ATOM 1447 N SER A 89 -0.994 -12.067 -6.817 1.00 0.00 N ATOM 1448 CA SER A 89 -2.055 -11.062 -6.590 1.00 0.00 C ATOM 1449 C SER A 89 -2.285 -10.647 -5.118 1.00 0.00 C ATOM 1450 O SER A 89 -3.377 -10.208 -4.754 1.00 0.00 O ATOM 1451 CB SER A 89 -3.359 -11.549 -7.241 1.00 0.00 C ATOM 1452 OG SER A 89 -3.133 -11.961 -8.581 1.00 0.00 O ATOM 0 H SER A 89 -1.372 -12.987 -7.041 1.00 0.00 H new ATOM 0 HA SER A 89 -1.702 -10.145 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.770 -12.379 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.100 -10.750 -7.222 1.00 0.00 H new ATOM 0 HG SER A 89 -3.976 -12.269 -8.975 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.269 -10.793 -4.259 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.276 -10.499 -2.809 1.00 0.00 C ATOM 1460 C ARG A 90 -0.112 -9.596 -2.359 1.00 0.00 C ATOM 1461 O ARG A 90 0.263 -9.597 -1.186 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.464 -11.792 -1.987 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.566 -12.946 -2.456 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.637 -14.197 -1.573 1.00 0.00 C ATOM 1465 NE ARG A 90 0.141 -14.042 -0.329 1.00 0.00 N ATOM 1466 CZ ARG A 90 0.929 -14.935 0.243 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.593 -14.605 1.310 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.083 -16.146 -0.216 1.00 0.00 N ATOM 0 H ARG A 90 -0.362 -11.140 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.150 -9.883 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.255 -11.581 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.507 -12.104 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.845 -13.218 -3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.466 -12.597 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.678 -14.407 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.262 -15.055 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 90 0.061 -13.142 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.503 -13.666 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.205 -15.285 1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.582 -16.441 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.704 -16.798 0.263 1.00 0.00 H new ATOM 1482 N TYR A 91 0.438 -8.810 -3.290 1.00 0.00 N ATOM 1483 CA TYR A 91 1.570 -7.904 -3.082 1.00 0.00 C ATOM 1484 C TYR A 91 1.386 -6.587 -3.860 1.00 0.00 C ATOM 1485 O TYR A 91 0.944 -6.599 -5.013 1.00 0.00 O ATOM 1486 CB TYR A 91 2.861 -8.607 -3.523 1.00 0.00 C ATOM 1487 CG TYR A 91 3.199 -9.872 -2.755 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.851 -11.132 -3.276 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.853 -9.784 -1.514 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.166 -12.306 -2.565 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.137 -10.953 -0.782 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.806 -12.218 -1.309 1.00 0.00 C ATOM 1493 OH TYR A 91 4.108 -13.345 -0.607 1.00 0.00 O ATOM 0 H TYR A 91 0.091 -8.787 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 91 1.628 -7.653 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.779 -8.854 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.690 -7.907 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.340 -11.199 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.138 -8.819 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.919 -13.272 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.610 -10.880 0.186 1.00 0.00 H new ATOM 0 HH TYR A 91 4.547 -13.099 0.234 1.00 0.00 H new ATOM 1503 N PHE A 92 1.746 -5.456 -3.244 1.00 0.00 N ATOM 1504 CA PHE A 92 1.602 -4.108 -3.813 1.00 0.00 C ATOM 1505 C PHE A 92 2.807 -3.223 -3.494 1.00 0.00 C ATOM 1506 O PHE A 92 3.536 -3.483 -2.544 1.00 0.00 O ATOM 1507 CB PHE A 92 0.342 -3.422 -3.266 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.930 -4.206 -3.471 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.339 -5.107 -2.476 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.687 -4.061 -4.647 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.509 -5.857 -2.645 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.849 -4.834 -4.826 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.260 -5.732 -3.827 1.00 0.00 C ATOM 0 H PHE A 92 2.157 -5.451 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 92 1.528 -4.232 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.475 -3.241 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.236 -2.448 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.750 -5.222 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.378 -3.360 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.835 -6.532 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.426 -4.737 -5.734 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.151 -6.325 -3.967 1.00 0.00 H new ATOM 1523 N VAL A 93 2.982 -2.142 -4.247 1.00 0.00 N ATOM 1524 CA VAL A 93 3.890 -1.035 -3.915 1.00 0.00 C ATOM 1525 C VAL A 93 3.061 0.208 -3.631 1.00 0.00 C ATOM 1526 O VAL A 93 2.071 0.439 -4.323 1.00 0.00 O ATOM 1527 CB VAL A 93 4.909 -0.791 -5.042 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.796 0.437 -4.819 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.813 -2.016 -5.174 1.00 0.00 C ATOM 0 H VAL A 93 2.487 -2.002 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 93 4.467 -1.291 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 93 4.328 -0.610 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.488 0.543 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.172 1.328 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.360 0.315 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.537 -1.849 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.339 -2.183 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.208 -2.891 -5.411 1.00 0.00 H new ATOM 1539 N ILE A 94 3.458 1.030 -2.656 1.00 0.00 N ATOM 1540 CA ILE A 94 2.852 2.348 -2.437 1.00 0.00 C ATOM 1541 C ILE A 94 3.906 3.444 -2.261 1.00 0.00 C ATOM 1542 O ILE A 94 5.003 3.193 -1.752 1.00 0.00 O ATOM 1543 CB ILE A 94 1.804 2.367 -1.301 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.349 2.086 0.120 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.591 1.478 -1.612 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.561 0.612 0.502 1.00 0.00 C ATOM 0 H ILE A 94 4.204 0.803 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 94 2.300 2.570 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 94 1.480 3.408 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.301 2.605 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.662 2.528 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.116 1.525 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.107 1.829 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.920 0.448 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.945 0.552 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.612 0.080 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.277 0.158 -0.183 1.00 0.00 H new ATOM 1558 N ARG A 95 3.567 4.672 -2.675 1.00 0.00 N ATOM 1559 CA ARG A 95 4.431 5.855 -2.525 1.00 0.00 C ATOM 1560 C ARG A 95 4.166 6.545 -1.189 1.00 0.00 C ATOM 1561 O ARG A 95 3.349 7.464 -1.109 1.00 0.00 O ATOM 1562 CB ARG A 95 4.289 6.809 -3.724 1.00 0.00 C ATOM 1563 CG ARG A 95 5.430 7.835 -3.749 1.00 0.00 C ATOM 1564 CD ARG A 95 5.285 8.858 -4.883 1.00 0.00 C ATOM 1565 NE ARG A 95 4.266 9.890 -4.589 1.00 0.00 N ATOM 1566 CZ ARG A 95 4.018 10.967 -5.317 1.00 0.00 C ATOM 1567 NH1 ARG A 95 3.179 11.874 -4.907 1.00 0.00 N ATOM 1568 NH2 ARG A 95 4.604 11.176 -6.461 1.00 0.00 N ATOM 0 H ARG A 95 2.676 4.876 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 95 5.471 5.528 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.290 6.236 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.331 7.326 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.461 8.360 -2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.380 7.312 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.247 9.341 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.017 8.339 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 95 3.703 9.759 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.702 11.760 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.999 12.698 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.277 10.499 -6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.390 12.017 -6.997 1.00 0.00 H new ATOM 1582 N ILE A 96 4.850 6.115 -0.135 1.00 0.00 N ATOM 1583 CA ILE A 96 4.789 6.803 1.164 1.00 0.00 C ATOM 1584 C ILE A 96 5.497 8.163 1.085 1.00 0.00 C ATOM 1585 O ILE A 96 6.505 8.312 0.391 1.00 0.00 O ATOM 1586 CB ILE A 96 5.230 5.923 2.354 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.727 5.534 2.360 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.356 4.662 2.441 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.585 6.466 3.222 1.00 0.00 C ATOM 0 H ILE A 96 5.455 5.294 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 96 3.740 7.005 1.382 1.00 0.00 H new ATOM 0 HB ILE A 96 5.089 6.547 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.830 4.513 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.104 5.545 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.680 4.052 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.314 4.950 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.454 4.087 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.625 6.141 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.510 7.485 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.232 6.436 4.253 1.00 0.00 H new ATOM 1601 N GLN A 97 4.931 9.175 1.742 1.00 0.00 N ATOM 1602 CA GLN A 97 5.325 10.584 1.634 1.00 0.00 C ATOM 1603 C GLN A 97 5.426 11.244 3.013 1.00 0.00 C ATOM 1604 O GLN A 97 4.667 10.929 3.932 1.00 0.00 O ATOM 1605 CB GLN A 97 4.325 11.339 0.736 1.00 0.00 C ATOM 1606 CG GLN A 97 4.509 11.025 -0.760 1.00 0.00 C ATOM 1607 CD GLN A 97 3.224 11.139 -1.574 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.838 12.195 -2.051 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.541 10.047 -1.835 1.00 0.00 N ATOM 0 H GLN A 97 4.156 9.033 2.389 1.00 0.00 H new ATOM 0 HA GLN A 97 6.315 10.630 1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.309 11.080 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.440 12.411 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.253 11.704 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.906 10.015 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.842 9.152 -1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.709 10.094 -2.424 1.00 0.00 H new ATOM 1682 N SER A 103 9.429 11.635 -0.721 1.00 0.00 N ATOM 1683 CA SER A 103 8.731 10.359 -0.934 1.00 0.00 C ATOM 1684 C SER A 103 9.660 9.147 -1.083 1.00 0.00 C ATOM 1685 O SER A 103 10.847 9.283 -1.395 1.00 0.00 O ATOM 1686 CB SER A 103 7.814 10.467 -2.161 1.00 0.00 C ATOM 1687 OG SER A 103 8.539 10.579 -3.374 1.00 0.00 O ATOM 0 HA SER A 103 8.149 10.180 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.169 9.589 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.164 11.335 -2.049 1.00 0.00 H new ATOM 0 HG SER A 103 7.912 10.643 -4.125 1.00 0.00 H new ATOM 1693 N ALA A 104 9.098 7.951 -0.880 1.00 0.00 N ATOM 1694 CA ALA A 104 9.720 6.658 -1.163 1.00 0.00 C ATOM 1695 C ALA A 104 8.675 5.640 -1.652 1.00 0.00 C ATOM 1696 O ALA A 104 7.533 5.640 -1.192 1.00 0.00 O ATOM 1697 CB ALA A 104 10.435 6.157 0.099 1.00 0.00 C ATOM 0 H ALA A 104 8.157 7.856 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 104 10.451 6.777 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.901 5.193 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.201 6.875 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.712 6.046 0.907 1.00 0.00 H new ATOM 1703 N PHE A 105 9.069 4.744 -2.557 1.00 0.00 N ATOM 1704 CA PHE A 105 8.251 3.604 -2.980 1.00 0.00 C ATOM 1705 C PHE A 105 8.606 2.370 -2.137 1.00 0.00 C ATOM 1706 O PHE A 105 9.739 1.885 -2.189 1.00 0.00 O ATOM 1707 CB PHE A 105 8.433 3.359 -4.484 1.00 0.00 C ATOM 1708 CG PHE A 105 7.744 4.381 -5.375 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.405 4.183 -5.759 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.437 5.514 -5.845 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.770 5.086 -6.626 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.798 6.429 -6.702 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.467 6.209 -7.102 1.00 0.00 C ATOM 0 H PHE A 105 9.975 4.789 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 105 7.195 3.819 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.499 3.355 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.051 2.367 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.861 3.329 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.462 5.681 -5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.747 4.918 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.330 7.301 -7.053 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.982 6.902 -7.774 1.00 0.00 H new ATOM 1723 N ILE A 106 7.642 1.865 -1.360 1.00 0.00 N ATOM 1724 CA ILE A 106 7.799 0.678 -0.496 1.00 0.00 C ATOM 1725 C ILE A 106 6.885 -0.459 -0.957 1.00 0.00 C ATOM 1726 O ILE A 106 5.763 -0.209 -1.394 1.00 0.00 O ATOM 1727 CB ILE A 106 7.611 1.005 1.005 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.150 1.324 1.401 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.555 2.152 1.403 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.923 1.442 2.915 1.00 0.00 C ATOM 0 H ILE A 106 6.709 2.275 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 106 8.829 0.338 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 106 7.866 0.102 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.852 2.258 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.499 0.544 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.422 2.382 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.588 1.852 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.325 3.036 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.874 1.667 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.188 0.501 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.546 2.242 3.315 1.00 0.00 H new ATOM 1742 N GLY A 107 7.351 -1.703 -0.847 1.00 0.00 N ATOM 1743 CA GLY A 107 6.560 -2.896 -1.142 1.00 0.00 C ATOM 1744 C GLY A 107 5.855 -3.406 0.112 1.00 0.00 C ATOM 1745 O GLY A 107 6.436 -3.369 1.198 1.00 0.00 O ATOM 0 H GLY A 107 8.303 -1.913 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.822 -2.667 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.207 -3.676 -1.543 1.00 0.00 H new ATOM 1749 N ILE A 108 4.625 -3.896 -0.031 1.00 0.00 N ATOM 1750 CA ILE A 108 3.856 -4.575 1.016 1.00 0.00 C ATOM 1751 C ILE A 108 3.303 -5.919 0.538 1.00 0.00 C ATOM 1752 O ILE A 108 2.958 -6.081 -0.635 1.00 0.00 O ATOM 1753 CB ILE A 108 2.734 -3.699 1.622 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.689 -3.218 0.588 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.350 -2.529 2.400 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.424 -2.624 1.226 1.00 0.00 C ATOM 0 H ILE A 108 4.115 -3.830 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 108 4.567 -4.766 1.820 1.00 0.00 H new ATOM 0 HB ILE A 108 2.172 -4.331 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.147 -2.469 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.406 -4.057 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.555 -1.916 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.978 -2.916 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.956 -1.923 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.265 -2.308 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.057 -3.378 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.695 -1.765 1.839 1.00 0.00 H new ATOM 1768 N GLY A 109 3.195 -6.875 1.459 1.00 0.00 N ATOM 1769 CA GLY A 109 2.635 -8.204 1.211 1.00 0.00 C ATOM 1770 C GLY A 109 1.576 -8.631 2.224 1.00 0.00 C ATOM 1771 O GLY A 109 1.645 -8.291 3.409 1.00 0.00 O ATOM 0 H GLY A 109 3.502 -6.744 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.197 -8.222 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.444 -8.935 1.217 1.00 0.00 H new ATOM 1775 N PHE A 110 0.607 -9.401 1.728 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.513 -9.980 2.472 1.00 0.00 C ATOM 1777 C PHE A 110 -0.360 -11.499 2.606 1.00 0.00 C ATOM 1778 O PHE A 110 0.360 -12.136 1.834 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.830 -9.614 1.767 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.170 -8.141 1.856 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.576 -7.216 0.974 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.045 -7.690 2.860 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.847 -5.845 1.112 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.332 -6.320 2.979 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.733 -5.399 2.102 1.00 0.00 C ATOM 0 H PHE A 110 0.581 -9.652 0.740 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.523 -9.569 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.764 -9.901 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.642 -10.194 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.914 -7.561 0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.497 -8.397 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.372 -5.133 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.012 -5.975 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.956 -4.346 2.191 1.00 0.00 H new ATOM 1795 N THR A 111 -1.070 -12.102 3.562 1.00 0.00 N ATOM 1796 CA THR A 111 -1.047 -13.558 3.805 1.00 0.00 C ATOM 1797 C THR A 111 -1.827 -14.351 2.745 1.00 0.00 C ATOM 1798 O THR A 111 -1.538 -15.523 2.499 1.00 0.00 O ATOM 1799 CB THR A 111 -1.550 -13.855 5.230 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.235 -15.180 5.602 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.055 -13.651 5.427 1.00 0.00 C ATOM 0 H THR A 111 -1.685 -11.595 4.198 1.00 0.00 H new ATOM 0 HA THR A 111 -0.014 -13.895 3.719 1.00 0.00 H new ATOM 0 HB THR A 111 -1.037 -13.130 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.560 -15.351 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.322 -13.883 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.313 -12.615 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.603 -14.310 4.754 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.794 -13.710 2.077 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.672 -14.327 1.080 1.00 0.00 C ATOM 1811 C ASP A 112 -4.265 -13.276 0.122 1.00 0.00 C ATOM 1812 O ASP A 112 -4.398 -12.100 0.483 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.795 -15.093 1.803 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.643 -15.918 0.825 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -5.164 -16.976 0.353 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.767 -15.480 0.487 1.00 0.00 O ATOM 0 H ASP A 112 -2.991 -12.720 2.221 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.084 -15.019 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.360 -15.753 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.435 -14.387 2.332 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.668 -13.697 -1.087 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.345 -12.827 -2.064 1.00 0.00 C ATOM 1823 C ARG A 113 -6.634 -12.213 -1.507 1.00 0.00 C ATOM 1824 O ARG A 113 -6.929 -11.069 -1.834 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.604 -13.596 -3.375 1.00 0.00 C ATOM 1826 CG ARG A 113 -6.132 -12.653 -4.470 1.00 0.00 C ATOM 1827 CD ARG A 113 -6.414 -13.358 -5.798 1.00 0.00 C ATOM 1828 NE ARG A 113 -6.981 -12.398 -6.766 1.00 0.00 N ATOM 1829 CZ ARG A 113 -7.336 -12.639 -8.014 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -7.871 -11.694 -8.733 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.174 -13.806 -8.572 1.00 0.00 N ATOM 0 H ARG A 113 -4.534 -14.653 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.678 -11.991 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.682 -14.070 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.326 -14.393 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.048 -12.178 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -5.404 -11.859 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.494 -13.787 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.109 -14.183 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.113 -11.443 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.016 -10.768 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.145 -11.880 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.760 -14.572 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.461 -13.953 -9.540 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.372 -12.909 -0.641 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.628 -12.417 -0.063 1.00 0.00 C ATOM 1847 C GLY A 114 -8.486 -11.113 0.737 1.00 0.00 C ATOM 1848 O GLY A 114 -9.401 -10.290 0.724 1.00 0.00 O ATOM 0 H GLY A 114 -7.113 -13.841 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.348 -12.260 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.041 -13.187 0.589 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.332 -10.879 1.372 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.048 -9.637 2.111 1.00 0.00 C ATOM 1854 C ASP A 115 -6.474 -8.537 1.202 1.00 0.00 C ATOM 1855 O ASP A 115 -6.861 -7.371 1.311 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.123 -9.943 3.295 1.00 0.00 C ATOM 1857 CG ASP A 115 -6.789 -10.888 4.306 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.254 -11.994 4.551 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.851 -10.514 4.862 1.00 0.00 O ATOM 0 H ASP A 115 -6.562 -11.548 1.390 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.989 -9.244 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.200 -10.393 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.848 -9.013 3.792 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.637 -8.906 0.228 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.201 -8.013 -0.847 1.00 0.00 C ATOM 1866 C ALA A 116 -6.367 -7.507 -1.725 1.00 0.00 C ATOM 1867 O ALA A 116 -6.340 -6.379 -2.227 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.185 -8.800 -1.666 1.00 0.00 C ATOM 0 H ALA A 116 -5.239 -9.843 0.164 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.764 -7.108 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.822 -8.182 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.348 -9.086 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.658 -9.696 -2.068 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.420 -8.313 -1.865 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.702 -7.959 -2.491 1.00 0.00 C ATOM 1876 C PHE A 117 -9.752 -7.404 -1.506 1.00 0.00 C ATOM 1877 O PHE A 117 -10.924 -7.266 -1.854 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.178 -9.084 -3.430 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.488 -9.025 -4.785 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.111 -9.300 -4.901 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.201 -8.586 -5.918 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -6.451 -9.111 -6.127 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.543 -8.413 -7.148 1.00 0.00 C ATOM 1884 CZ PHE A 117 -7.165 -8.667 -7.252 1.00 0.00 C ATOM 0 H PHE A 117 -7.405 -9.276 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.536 -7.095 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.983 -10.051 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.257 -9.009 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.560 -9.658 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.259 -8.381 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -5.392 -9.308 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.098 -8.084 -8.015 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.657 -8.521 -8.194 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.315 -6.960 -0.324 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.906 -5.795 0.348 1.00 0.00 C ATOM 1896 C ASP A 118 -9.054 -4.531 0.119 1.00 0.00 C ATOM 1897 O ASP A 118 -9.617 -3.479 -0.181 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.136 -6.074 1.840 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.342 -6.994 2.093 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.181 -8.004 2.819 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.467 -6.674 1.640 1.00 0.00 O ATOM 0 H ASP A 118 -8.548 -7.392 0.192 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.884 -5.607 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.241 -6.531 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.289 -5.130 2.363 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.714 -4.618 0.162 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.807 -3.478 -0.066 1.00 0.00 C ATOM 1908 C PHE A 119 -7.076 -2.750 -1.397 1.00 0.00 C ATOM 1909 O PHE A 119 -7.364 -1.553 -1.401 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.343 -3.953 0.035 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.307 -2.914 -0.370 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.916 -2.787 -1.717 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.751 -2.050 0.590 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.021 -1.775 -2.107 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.862 -1.031 0.202 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.501 -0.890 -1.148 1.00 0.00 C ATOM 0 H PHE A 119 -7.224 -5.491 0.358 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.000 -2.741 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.146 -4.262 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.218 -4.835 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.306 -3.472 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.008 -2.169 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.733 -1.678 -3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.457 -0.357 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.825 -0.103 -1.448 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.031 -3.460 -2.531 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.178 -2.817 -3.850 1.00 0.00 C ATOM 1928 C ASN A 120 -8.636 -2.527 -4.235 1.00 0.00 C ATOM 1929 O ASN A 120 -8.911 -1.631 -5.037 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.433 -3.608 -4.938 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.187 -4.784 -5.539 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -7.841 -4.673 -6.563 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.122 -5.948 -4.942 1.00 0.00 N ATOM 0 H ASN A 120 -6.895 -4.470 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.708 -1.837 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.169 -2.921 -5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.499 -3.978 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.615 -6.750 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.578 -6.052 -4.085 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.581 -3.279 -3.664 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.009 -3.154 -3.984 1.00 0.00 C ATOM 1942 C VAL A 121 -11.644 -1.995 -3.210 1.00 0.00 C ATOM 1943 O VAL A 121 -12.412 -1.224 -3.786 1.00 0.00 O ATOM 1944 CB VAL A 121 -11.734 -4.491 -3.746 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.242 -4.395 -4.006 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.173 -5.579 -4.675 1.00 0.00 C ATOM 0 H VAL A 121 -9.379 -3.994 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.114 -2.917 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.568 -4.743 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -13.705 -5.365 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.680 -3.653 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.415 -4.099 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -11.697 -6.518 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.315 -5.279 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.109 -5.713 -4.478 1.00 0.00 H new ATOM 1956 N SER A 122 -11.268 -1.798 -1.944 1.00 0.00 N ATOM 1957 CA SER A 122 -11.729 -0.658 -1.136 1.00 0.00 C ATOM 1958 C SER A 122 -11.250 0.694 -1.685 1.00 0.00 C ATOM 1959 O SER A 122 -11.985 1.679 -1.609 1.00 0.00 O ATOM 1960 CB SER A 122 -11.293 -0.827 0.321 1.00 0.00 C ATOM 1961 OG SER A 122 -9.887 -0.780 0.447 1.00 0.00 O ATOM 0 H SER A 122 -10.634 -2.423 -1.446 1.00 0.00 H new ATOM 0 HA SER A 122 -12.818 -0.652 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.741 -0.042 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.663 -1.778 0.705 1.00 0.00 H new ATOM 0 HG SER A 122 -9.512 -1.667 0.265 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.067 0.734 -2.313 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.562 1.896 -3.048 1.00 0.00 C ATOM 1969 C LEU A 123 -10.382 2.164 -4.321 1.00 0.00 C ATOM 1970 O LEU A 123 -10.942 3.250 -4.476 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.069 1.694 -3.375 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.113 1.850 -2.176 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.712 1.386 -2.577 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.012 3.306 -1.710 1.00 0.00 C ATOM 0 H LEU A 123 -9.424 -0.057 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.668 2.777 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.937 0.699 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.781 2.409 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.513 1.246 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.036 1.496 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.748 0.339 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.352 1.991 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.328 3.371 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.638 3.924 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.998 3.661 -1.408 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.497 1.186 -5.228 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.144 1.410 -6.532 1.00 0.00 C ATOM 1988 C GLN A 124 -12.655 1.684 -6.415 1.00 0.00 C ATOM 1989 O GLN A 124 -13.192 2.495 -7.169 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.815 0.260 -7.501 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.631 -1.020 -7.278 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.028 -2.215 -8.011 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.538 -2.697 -9.015 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -9.920 -2.734 -7.530 1.00 0.00 N ATOM 0 H GLN A 124 -10.153 0.236 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.728 2.325 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.978 0.605 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.756 0.019 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.682 -1.237 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.654 -0.863 -7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.491 -2.336 -6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.489 -3.534 -7.993 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.336 1.087 -5.431 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.766 1.301 -5.182 1.00 0.00 C ATOM 2005 C ASP A 125 -15.041 2.547 -4.314 1.00 0.00 C ATOM 2006 O ASP A 125 -16.196 2.928 -4.118 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.383 0.023 -4.593 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.921 0.071 -4.545 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.510 -0.306 -3.503 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.551 0.459 -5.560 1.00 0.00 O ATOM 0 H ASP A 125 -12.905 0.434 -4.777 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.251 1.510 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.069 -0.834 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.997 -0.130 -3.585 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.990 3.233 -3.844 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.094 4.600 -3.323 1.00 0.00 C ATOM 2017 C HIS A 126 -13.794 5.657 -4.393 1.00 0.00 C ATOM 2018 O HIS A 126 -14.414 6.719 -4.388 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.202 4.766 -2.088 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.430 6.082 -1.386 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.611 7.213 -1.476 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.493 6.367 -0.580 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.202 8.149 -0.714 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.329 7.669 -0.162 1.00 0.00 N ATOM 0 H HIS A 126 -13.044 2.854 -3.815 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.129 4.764 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.393 3.949 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.156 4.693 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.304 5.702 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -12.823 9.149 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -14.955 8.181 0.460 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.911 5.359 -5.352 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.510 6.287 -6.416 1.00 0.00 C ATOM 2034 C PHE A 127 -13.342 6.238 -7.706 1.00 0.00 C ATOM 2035 O PHE A 127 -13.173 7.135 -8.531 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.023 6.079 -6.732 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.065 6.773 -5.787 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.101 8.174 -5.648 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.074 6.033 -5.119 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.109 8.834 -4.903 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.069 6.691 -4.396 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.083 8.092 -4.297 1.00 0.00 C ATOM 0 H PHE A 127 -12.447 4.452 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.702 7.283 -6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.811 5.010 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.830 6.431 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.892 8.742 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.087 4.954 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.136 9.908 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.286 6.122 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.301 8.600 -3.752 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.243 5.263 -7.912 1.00 0.00 N ATOM 2053 CA LYS A 128 -14.940 5.073 -9.209 1.00 0.00 C ATOM 2054 C LYS A 128 -15.687 6.301 -9.760 1.00 0.00 C ATOM 2055 O LYS A 128 -15.847 6.422 -10.972 1.00 0.00 O ATOM 2056 CB LYS A 128 -15.829 3.813 -9.222 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.200 3.921 -8.534 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.084 4.019 -7.011 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.445 3.985 -6.313 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.080 2.642 -6.374 1.00 0.00 N ATOM 0 H LYS A 128 -14.511 4.587 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.120 4.923 -9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -15.992 3.524 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.275 3.002 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.725 4.798 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.803 3.051 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.471 3.196 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.568 4.943 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.323 4.279 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.106 4.718 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.826 2.578 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.496 2.497 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.362 1.910 -6.197 1.00 0.00 H new