USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 155:sc= 1.29 USER MOD Set 1.2: A 126 HIS : no HE2:sc= 1.04 K(o=2.3,f=-1.3) USER MOD Set 2.1: A 9 SER OG : rot 0:sc= 1.05 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 148:sc= 1.18 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0289 USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 2.44 (180deg=2.34) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.57) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00904 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.946 K(o=0.95,f=-0.67) USER MOD Single : A 76 GLN : amide:sc= 0.165 X(o=0.16,f=-0.16) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -110:sc= 0.793 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.359 USER MOD Single : A 97 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 103 SER OG : rot 80:sc= 0.656 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6) USER MOD Single : A 122 SER OG : rot -88:sc= 1.11 USER MOD Single : A 124 GLN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 174:sc= 1.91 (180deg=1.86) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.650 8.929 6.883 1.00 0.00 N ATOM 187 CA SER A 9 -12.677 7.954 6.479 1.00 0.00 C ATOM 188 C SER A 9 -12.032 6.630 6.075 1.00 0.00 C ATOM 189 O SER A 9 -11.362 6.554 5.049 1.00 0.00 O ATOM 190 CB SER A 9 -13.522 8.523 5.340 1.00 0.00 C ATOM 191 OG SER A 9 -14.424 9.489 5.858 1.00 0.00 O ATOM 0 HA SER A 9 -13.332 7.761 7.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.878 8.978 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.073 7.722 4.847 1.00 0.00 H new ATOM 0 HG SER A 9 -14.299 9.567 6.827 1.00 0.00 H new ATOM 197 N VAL A 10 -12.205 5.588 6.892 1.00 0.00 N ATOM 198 CA VAL A 10 -11.601 4.254 6.692 1.00 0.00 C ATOM 199 C VAL A 10 -12.203 3.530 5.479 1.00 0.00 C ATOM 200 O VAL A 10 -13.404 3.625 5.217 1.00 0.00 O ATOM 201 CB VAL A 10 -11.724 3.411 7.980 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.137 2.005 7.824 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.975 4.077 9.145 1.00 0.00 C ATOM 0 H VAL A 10 -12.781 5.642 7.732 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.542 4.392 6.476 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.793 3.342 8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.251 1.457 8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.663 1.477 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.079 2.078 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.077 3.464 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.920 4.175 8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.397 5.065 9.331 1.00 0.00 H new ATOM 213 N LEU A 11 -11.357 2.791 4.750 1.00 0.00 N ATOM 214 CA LEU A 11 -11.687 2.075 3.508 1.00 0.00 C ATOM 215 C LEU A 11 -11.332 0.579 3.588 1.00 0.00 C ATOM 216 O LEU A 11 -12.122 -0.261 3.156 1.00 0.00 O ATOM 217 CB LEU A 11 -10.964 2.752 2.325 1.00 0.00 C ATOM 218 CG LEU A 11 -11.376 4.208 2.032 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.546 4.752 0.869 1.00 0.00 C ATOM 220 CD2 LEU A 11 -12.855 4.331 1.657 1.00 0.00 C ATOM 0 H LEU A 11 -10.381 2.670 5.020 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.765 2.129 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.892 2.730 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.139 2.157 1.428 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.201 4.777 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.839 5.782 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.488 4.721 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.718 4.142 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.095 5.376 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.054 3.739 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.470 3.966 2.479 1.00 0.00 H new ATOM 232 N CYS A 12 -10.179 0.239 4.177 1.00 0.00 N ATOM 233 CA CYS A 12 -9.774 -1.138 4.481 1.00 0.00 C ATOM 234 C CYS A 12 -8.813 -1.168 5.673 1.00 0.00 C ATOM 235 O CYS A 12 -7.857 -0.392 5.721 1.00 0.00 O ATOM 236 CB CYS A 12 -9.103 -1.766 3.254 1.00 0.00 C ATOM 237 SG CYS A 12 -8.765 -3.527 3.542 1.00 0.00 S ATOM 0 H CYS A 12 -9.486 0.931 4.462 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.664 -1.712 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.747 -1.652 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.172 -1.243 3.034 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.199 -4.038 2.489 1.00 0.00 H new ATOM 243 N VAL A 13 -9.036 -2.092 6.607 1.00 0.00 N ATOM 244 CA VAL A 13 -8.121 -2.398 7.716 1.00 0.00 C ATOM 245 C VAL A 13 -7.847 -3.899 7.743 1.00 0.00 C ATOM 246 O VAL A 13 -8.782 -4.701 7.770 1.00 0.00 O ATOM 247 CB VAL A 13 -8.681 -1.892 9.062 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.844 -2.337 10.271 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.719 -0.360 9.080 1.00 0.00 C ATOM 0 H VAL A 13 -9.879 -2.666 6.617 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.178 -1.874 7.557 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.678 -2.324 9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.291 -1.948 11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.817 -3.426 10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.829 -1.953 10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.116 -0.017 10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.710 0.031 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.358 -0.002 8.272 1.00 0.00 H new ATOM 259 N LYS A 14 -6.561 -4.273 7.755 1.00 0.00 N ATOM 260 CA LYS A 14 -6.088 -5.665 7.895 1.00 0.00 C ATOM 261 C LYS A 14 -5.051 -5.785 9.026 1.00 0.00 C ATOM 262 O LYS A 14 -4.135 -4.959 9.069 1.00 0.00 O ATOM 263 CB LYS A 14 -5.518 -6.206 6.566 1.00 0.00 C ATOM 264 CG LYS A 14 -6.527 -6.256 5.404 1.00 0.00 C ATOM 265 CD LYS A 14 -7.645 -7.282 5.629 1.00 0.00 C ATOM 266 CE LYS A 14 -8.580 -7.320 4.421 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.605 -8.381 4.574 1.00 0.00 N ATOM 0 H LYS A 14 -5.798 -3.602 7.666 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.950 -6.278 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.674 -5.584 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.130 -7.210 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.968 -5.268 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.999 -6.497 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.214 -8.269 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.209 -7.025 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.068 -6.352 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.001 -7.497 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.325 -8.278 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.153 -9.314 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.056 -8.296 5.507 1.00 0.00 H new ATOM 281 N PRO A 15 -5.140 -6.800 9.914 1.00 0.00 N ATOM 282 CA PRO A 15 -4.178 -6.996 11.007 1.00 0.00 C ATOM 283 C PRO A 15 -2.744 -7.283 10.543 1.00 0.00 C ATOM 284 O PRO A 15 -1.800 -7.005 11.281 1.00 0.00 O ATOM 285 CB PRO A 15 -4.699 -8.188 11.818 1.00 0.00 C ATOM 286 CG PRO A 15 -6.190 -8.221 11.506 1.00 0.00 C ATOM 287 CD PRO A 15 -6.244 -7.744 10.060 1.00 0.00 C ATOM 0 HA PRO A 15 -4.111 -6.072 11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.209 -9.116 11.524 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.517 -8.056 12.885 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.604 -9.223 11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.756 -7.567 12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.139 -8.580 9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.199 -7.267 9.841 1.00 0.00 H new ATOM 295 N ASP A 16 -2.584 -7.845 9.340 1.00 0.00 N ATOM 296 CA ASP A 16 -1.297 -8.193 8.731 1.00 0.00 C ATOM 297 C ASP A 16 -0.952 -7.329 7.507 1.00 0.00 C ATOM 298 O ASP A 16 -1.732 -7.213 6.559 1.00 0.00 O ATOM 299 CB ASP A 16 -1.250 -9.691 8.380 1.00 0.00 C ATOM 300 CG ASP A 16 -2.182 -10.096 7.220 1.00 0.00 C ATOM 301 OD1 ASP A 16 -3.420 -10.109 7.423 1.00 0.00 O ATOM 302 OD2 ASP A 16 -1.668 -10.450 6.130 1.00 0.00 O ATOM 0 H ASP A 16 -3.377 -8.078 8.742 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.532 -7.980 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.226 -9.960 8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.517 -10.269 9.265 1.00 0.00 H new ATOM 307 N VAL A 17 0.259 -6.769 7.517 1.00 0.00 N ATOM 308 CA VAL A 17 1.002 -6.283 6.348 1.00 0.00 C ATOM 309 C VAL A 17 2.498 -6.244 6.691 1.00 0.00 C ATOM 310 O VAL A 17 2.884 -5.907 7.817 1.00 0.00 O ATOM 311 CB VAL A 17 0.472 -4.920 5.850 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.731 -3.756 6.807 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.050 -4.548 4.484 1.00 0.00 C ATOM 0 H VAL A 17 0.777 -6.634 8.385 1.00 0.00 H new ATOM 0 HA VAL A 17 0.853 -6.971 5.516 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.606 -5.068 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.327 -2.838 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.247 -3.956 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.804 -3.643 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.652 -3.583 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.136 -4.487 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.775 -5.308 3.753 1.00 0.00 H new ATOM 323 N SER A 18 3.344 -6.591 5.723 1.00 0.00 N ATOM 324 CA SER A 18 4.809 -6.638 5.876 1.00 0.00 C ATOM 325 C SER A 18 5.485 -5.765 4.821 1.00 0.00 C ATOM 326 O SER A 18 5.098 -5.834 3.657 1.00 0.00 O ATOM 327 CB SER A 18 5.316 -8.080 5.754 1.00 0.00 C ATOM 328 OG SER A 18 4.738 -8.905 6.754 1.00 0.00 O ATOM 0 H SER A 18 3.031 -6.854 4.789 1.00 0.00 H new ATOM 0 HA SER A 18 5.059 -6.257 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.073 -8.473 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.402 -8.097 5.845 1.00 0.00 H new ATOM 0 HG SER A 18 5.074 -9.821 6.657 1.00 0.00 H new ATOM 334 N VAL A 19 6.476 -4.956 5.213 1.00 0.00 N ATOM 335 CA VAL A 19 7.198 -4.018 4.330 1.00 0.00 C ATOM 336 C VAL A 19 8.572 -4.547 3.949 1.00 0.00 C ATOM 337 O VAL A 19 9.350 -4.964 4.806 1.00 0.00 O ATOM 338 CB VAL A 19 7.334 -2.614 4.950 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.190 -1.663 4.093 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.965 -1.951 5.110 1.00 0.00 C ATOM 0 H VAL A 19 6.810 -4.931 6.176 1.00 0.00 H new ATOM 0 HA VAL A 19 6.593 -3.932 3.428 1.00 0.00 H new ATOM 0 HB VAL A 19 7.817 -2.772 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.250 -0.690 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.193 -2.076 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.734 -1.549 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.089 -0.961 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.490 -1.857 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.339 -2.561 5.761 1.00 0.00 H new ATOM 350 N TYR A 20 8.901 -4.436 2.667 1.00 0.00 N ATOM 351 CA TYR A 20 10.216 -4.739 2.111 1.00 0.00 C ATOM 352 C TYR A 20 10.559 -3.699 1.040 1.00 0.00 C ATOM 353 O TYR A 20 9.853 -3.557 0.038 1.00 0.00 O ATOM 354 CB TYR A 20 10.279 -6.186 1.572 1.00 0.00 C ATOM 355 CG TYR A 20 9.006 -7.005 1.718 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.967 -6.860 0.779 1.00 0.00 C ATOM 357 CD2 TYR A 20 8.840 -7.860 2.825 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.770 -7.584 0.934 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.645 -8.584 2.985 1.00 0.00 C ATOM 360 CZ TYR A 20 6.611 -8.453 2.036 1.00 0.00 C ATOM 361 OH TYR A 20 5.472 -9.178 2.188 1.00 0.00 O ATOM 0 H TYR A 20 8.236 -4.121 1.960 1.00 0.00 H new ATOM 0 HA TYR A 20 10.967 -4.680 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.545 -6.148 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 20 11.086 -6.710 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.089 -6.192 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.632 -7.960 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.975 -7.475 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.520 -9.240 3.834 1.00 0.00 H new ATOM 0 HH TYR A 20 5.536 -9.722 3.001 1.00 0.00 H new ATOM 371 N ARG A 21 11.644 -2.953 1.255 1.00 0.00 N ATOM 372 CA ARG A 21 12.163 -1.960 0.299 1.00 0.00 C ATOM 373 C ARG A 21 12.606 -2.643 -1.003 1.00 0.00 C ATOM 374 O ARG A 21 13.344 -3.631 -0.975 1.00 0.00 O ATOM 375 CB ARG A 21 13.296 -1.158 0.961 1.00 0.00 C ATOM 376 CG ARG A 21 13.700 0.070 0.131 1.00 0.00 C ATOM 377 CD ARG A 21 14.828 0.844 0.823 1.00 0.00 C ATOM 378 NE ARG A 21 15.211 2.046 0.052 1.00 0.00 N ATOM 379 CZ ARG A 21 14.761 3.279 0.210 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.213 4.243 -0.541 1.00 0.00 N ATOM 381 NH2 ARG A 21 13.861 3.589 1.101 1.00 0.00 N ATOM 0 H ARG A 21 12.198 -3.019 2.109 1.00 0.00 H new ATOM 0 HA ARG A 21 11.374 -1.259 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.979 -0.836 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.164 -1.803 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.024 -0.246 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.837 0.721 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.509 1.138 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.696 0.195 0.943 1.00 0.00 H new ATOM 0 HE ARG A 21 15.901 1.908 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.916 4.047 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.864 5.193 -0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.476 2.867 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.542 4.554 1.189 1.00 0.00 H new ATOM 395 N ILE A 22 12.152 -2.114 -2.140 1.00 0.00 N ATOM 396 CA ILE A 22 12.356 -2.700 -3.477 1.00 0.00 C ATOM 397 C ILE A 22 13.552 -2.076 -4.223 1.00 0.00 C ATOM 398 O ILE A 22 13.872 -0.904 -3.990 1.00 0.00 O ATOM 399 CB ILE A 22 11.065 -2.604 -4.328 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.743 -1.151 -4.749 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.881 -3.257 -3.595 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.479 -1.042 -5.600 1.00 0.00 C ATOM 0 H ILE A 22 11.619 -1.245 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 22 12.594 -3.752 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 22 11.242 -3.158 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.627 -0.537 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.586 -0.745 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.984 -3.179 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.103 -4.308 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.715 -2.748 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.307 0.002 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.601 -1.630 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.626 -1.419 -5.035 1.00 0.00 H new ATOM 532 N TYR A 31 8.538 -5.972 -11.244 1.00 0.00 N ATOM 533 CA TYR A 31 8.276 -6.321 -9.847 1.00 0.00 C ATOM 534 C TYR A 31 7.534 -7.666 -9.816 1.00 0.00 C ATOM 535 O TYR A 31 6.401 -7.741 -10.281 1.00 0.00 O ATOM 536 CB TYR A 31 7.427 -5.225 -9.184 1.00 0.00 C ATOM 537 CG TYR A 31 7.986 -3.812 -9.085 1.00 0.00 C ATOM 538 CD1 TYR A 31 7.106 -2.788 -8.674 1.00 0.00 C ATOM 539 CD2 TYR A 31 9.328 -3.492 -9.397 1.00 0.00 C ATOM 540 CE1 TYR A 31 7.550 -1.457 -8.595 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.770 -2.160 -9.306 1.00 0.00 C ATOM 542 CZ TYR A 31 8.884 -1.132 -8.929 1.00 0.00 C ATOM 543 OH TYR A 31 9.332 0.152 -8.876 1.00 0.00 O ATOM 0 HA TYR A 31 9.213 -6.404 -9.297 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.483 -5.167 -9.726 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.194 -5.557 -8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.085 -3.029 -8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.012 -4.269 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.870 -0.680 -8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.800 -1.923 -9.528 1.00 0.00 H new ATOM 0 HH TYR A 31 10.276 0.180 -9.139 1.00 0.00 H new ATOM 553 N ARG A 32 8.132 -8.736 -9.274 1.00 0.00 N ATOM 554 CA ARG A 32 7.552 -10.108 -9.259 1.00 0.00 C ATOM 555 C ARG A 32 7.338 -10.693 -7.868 1.00 0.00 C ATOM 556 O ARG A 32 7.251 -11.907 -7.724 1.00 0.00 O ATOM 557 CB ARG A 32 8.281 -11.080 -10.217 1.00 0.00 C ATOM 558 CG ARG A 32 9.774 -11.334 -9.963 1.00 0.00 C ATOM 559 CD ARG A 32 10.641 -10.319 -10.711 1.00 0.00 C ATOM 560 NE ARG A 32 12.075 -10.620 -10.581 1.00 0.00 N ATOM 561 CZ ARG A 32 12.844 -11.381 -11.333 1.00 0.00 C ATOM 562 NH1 ARG A 32 14.114 -11.411 -11.067 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.391 -12.093 -12.326 1.00 0.00 N ATOM 0 H ARG A 32 9.046 -8.684 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 32 6.545 -9.981 -9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.765 -12.039 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.172 -10.698 -11.232 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.979 -11.275 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.034 -12.343 -10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.365 -10.314 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.444 -9.319 -10.325 1.00 0.00 H new ATOM 0 HE ARG A 32 12.543 -10.174 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.487 -10.856 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.739 -11.989 -11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.397 -12.078 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.031 -12.666 -12.877 1.00 0.00 H new ATOM 577 N ALA A 33 7.262 -9.826 -6.862 1.00 0.00 N ATOM 578 CA ALA A 33 7.295 -10.111 -5.424 1.00 0.00 C ATOM 579 C ALA A 33 8.552 -10.871 -4.940 1.00 0.00 C ATOM 580 O ALA A 33 9.238 -10.412 -4.029 1.00 0.00 O ATOM 581 CB ALA A 33 5.977 -10.790 -5.051 1.00 0.00 C ATOM 0 H ALA A 33 7.168 -8.826 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 33 7.386 -9.168 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.973 -11.015 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.146 -10.125 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.872 -11.715 -5.617 1.00 0.00 H new ATOM 587 N SER A 34 8.918 -11.981 -5.587 1.00 0.00 N ATOM 588 CA SER A 34 10.058 -12.853 -5.259 1.00 0.00 C ATOM 589 C SER A 34 11.437 -12.184 -5.389 1.00 0.00 C ATOM 590 O SER A 34 12.434 -12.712 -4.895 1.00 0.00 O ATOM 591 CB SER A 34 10.025 -14.103 -6.149 1.00 0.00 C ATOM 592 OG SER A 34 8.802 -14.803 -5.979 1.00 0.00 O ATOM 0 H SER A 34 8.401 -12.317 -6.399 1.00 0.00 H new ATOM 0 HA SER A 34 9.938 -13.106 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.144 -13.816 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.862 -14.756 -5.900 1.00 0.00 H new ATOM 0 HG SER A 34 8.796 -15.596 -6.555 1.00 0.00 H new ATOM 598 N ASP A 35 11.508 -11.017 -6.039 1.00 0.00 N ATOM 599 CA ASP A 35 12.711 -10.177 -6.121 1.00 0.00 C ATOM 600 C ASP A 35 13.003 -9.432 -4.800 1.00 0.00 C ATOM 601 O ASP A 35 14.143 -9.045 -4.532 1.00 0.00 O ATOM 602 CB ASP A 35 12.503 -9.166 -7.257 1.00 0.00 C ATOM 603 CG ASP A 35 13.806 -8.812 -7.977 1.00 0.00 C ATOM 604 OD1 ASP A 35 14.529 -7.880 -7.573 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.041 -9.389 -9.063 1.00 0.00 O ATOM 0 H ASP A 35 10.711 -10.619 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 35 13.572 -10.818 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.794 -9.575 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.058 -8.257 -6.852 1.00 0.00 H new ATOM 610 N TRP A 36 11.970 -9.221 -3.978 1.00 0.00 N ATOM 611 CA TRP A 36 12.001 -8.451 -2.742 1.00 0.00 C ATOM 612 C TRP A 36 12.394 -9.329 -1.540 1.00 0.00 C ATOM 613 O TRP A 36 12.382 -10.562 -1.596 1.00 0.00 O ATOM 614 CB TRP A 36 10.620 -7.805 -2.511 1.00 0.00 C ATOM 615 CG TRP A 36 9.913 -7.113 -3.649 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.449 -6.646 -4.805 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.494 -6.762 -3.708 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.461 -6.051 -5.574 1.00 0.00 N ATOM 619 CE2 TRP A 36 8.256 -6.039 -4.914 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.387 -6.959 -2.852 1.00 0.00 C ATOM 621 CZ2 TRP A 36 7.011 -5.481 -5.222 1.00 0.00 C ATOM 622 CZ3 TRP A 36 6.123 -6.420 -3.161 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.941 -5.668 -4.333 1.00 0.00 C ATOM 0 H TRP A 36 11.045 -9.605 -4.172 1.00 0.00 H new ATOM 0 HA TRP A 36 12.758 -7.673 -2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.954 -8.585 -2.142 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.733 -7.076 -1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.489 -6.726 -5.084 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.609 -5.671 -6.509 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.512 -7.533 -1.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.875 -4.914 -6.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.290 -6.586 -2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.977 -5.233 -4.551 1.00 0.00 H new ATOM 634 N LYS A 37 12.684 -8.681 -0.408 1.00 0.00 N ATOM 635 CA LYS A 37 13.021 -9.308 0.884 1.00 0.00 C ATOM 636 C LYS A 37 11.793 -9.852 1.639 1.00 0.00 C ATOM 637 O LYS A 37 11.573 -9.529 2.804 1.00 0.00 O ATOM 638 CB LYS A 37 13.868 -8.339 1.723 1.00 0.00 C ATOM 639 CG LYS A 37 15.264 -8.108 1.125 1.00 0.00 C ATOM 640 CD LYS A 37 16.282 -7.800 2.235 1.00 0.00 C ATOM 641 CE LYS A 37 16.981 -9.051 2.787 1.00 0.00 C ATOM 642 NZ LYS A 37 18.040 -9.567 1.878 1.00 0.00 N ATOM 0 H LYS A 37 12.692 -7.662 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 37 13.620 -10.196 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.349 -7.384 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.970 -8.733 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.579 -8.992 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.230 -7.281 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.035 -7.114 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.774 -7.287 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.422 -8.818 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.239 -9.832 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.478 -10.411 2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.619 -9.817 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.764 -8.834 1.738 1.00 0.00 H new ATOM 656 N LEU A 38 10.996 -10.696 0.979 1.00 0.00 N ATOM 657 CA LEU A 38 9.708 -11.208 1.484 1.00 0.00 C ATOM 658 C LEU A 38 9.805 -11.909 2.854 1.00 0.00 C ATOM 659 O LEU A 38 8.924 -11.754 3.699 1.00 0.00 O ATOM 660 CB LEU A 38 9.106 -12.194 0.467 1.00 0.00 C ATOM 661 CG LEU A 38 8.768 -11.626 -0.922 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.025 -12.700 -1.719 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.896 -10.373 -0.852 1.00 0.00 C ATOM 0 H LEU A 38 11.230 -11.055 0.053 1.00 0.00 H new ATOM 0 HA LEU A 38 9.071 -10.334 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.806 -13.020 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.195 -12.612 0.895 1.00 0.00 H new ATOM 0 HG LEU A 38 9.705 -11.344 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.777 -12.313 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.659 -13.581 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.108 -12.972 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.689 -10.017 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.957 -10.611 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.419 -9.597 -0.293 1.00 0.00 H new ATOM 675 N ASP A 39 10.883 -12.663 3.082 1.00 0.00 N ATOM 676 CA ASP A 39 11.142 -13.392 4.336 1.00 0.00 C ATOM 677 C ASP A 39 11.871 -12.532 5.397 1.00 0.00 C ATOM 678 O ASP A 39 12.116 -12.985 6.517 1.00 0.00 O ATOM 679 CB ASP A 39 11.924 -14.669 3.987 1.00 0.00 C ATOM 680 CG ASP A 39 12.027 -15.661 5.161 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.164 -16.029 5.546 1.00 0.00 O ATOM 682 OD2 ASP A 39 10.973 -16.119 5.665 1.00 0.00 O ATOM 0 H ASP A 39 11.619 -12.790 2.388 1.00 0.00 H new ATOM 0 HA ASP A 39 10.191 -13.652 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.441 -15.163 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.928 -14.395 3.663 1.00 0.00 H new ATOM 687 N GLN A 40 12.243 -11.296 5.041 1.00 0.00 N ATOM 688 CA GLN A 40 13.166 -10.418 5.776 1.00 0.00 C ATOM 689 C GLN A 40 12.643 -8.968 5.835 1.00 0.00 C ATOM 690 O GLN A 40 13.274 -8.069 5.263 1.00 0.00 O ATOM 691 CB GLN A 40 14.533 -10.488 5.067 1.00 0.00 C ATOM 692 CG GLN A 40 15.270 -11.792 5.337 1.00 0.00 C ATOM 693 CD GLN A 40 16.260 -12.130 4.227 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.461 -11.915 4.327 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.790 -12.623 3.097 1.00 0.00 N ATOM 0 H GLN A 40 11.891 -10.858 4.190 1.00 0.00 H new ATOM 0 HA GLN A 40 13.256 -10.752 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.387 -10.374 3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.151 -9.652 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.801 -11.718 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.548 -12.602 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.792 -12.808 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.425 -12.819 2.323 1.00 0.00 H new ATOM 704 N PRO A 41 11.492 -8.694 6.482 1.00 0.00 N ATOM 705 CA PRO A 41 10.877 -7.382 6.355 1.00 0.00 C ATOM 706 C PRO A 41 11.685 -6.270 7.036 1.00 0.00 C ATOM 707 O PRO A 41 12.308 -6.475 8.082 1.00 0.00 O ATOM 708 CB PRO A 41 9.455 -7.494 6.929 1.00 0.00 C ATOM 709 CG PRO A 41 9.188 -9.000 6.917 1.00 0.00 C ATOM 710 CD PRO A 41 10.574 -9.588 7.174 1.00 0.00 C ATOM 0 HA PRO A 41 10.848 -7.092 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.394 -7.083 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.731 -6.952 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.475 -9.291 7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.778 -9.331 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.793 -9.632 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.649 -10.606 6.791 1.00 0.00 H new ATOM 718 N ASP A 42 11.620 -5.064 6.475 1.00 0.00 N ATOM 719 CA ASP A 42 12.121 -3.839 7.108 1.00 0.00 C ATOM 720 C ASP A 42 11.255 -3.438 8.318 1.00 0.00 C ATOM 721 O ASP A 42 11.760 -2.874 9.291 1.00 0.00 O ATOM 722 CB ASP A 42 12.139 -2.711 6.066 1.00 0.00 C ATOM 723 CG ASP A 42 13.217 -2.930 4.994 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.855 -3.235 3.833 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.421 -2.771 5.308 1.00 0.00 O ATOM 0 H ASP A 42 11.212 -4.905 5.554 1.00 0.00 H new ATOM 0 HA ASP A 42 13.131 -4.020 7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.162 -2.644 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.315 -1.759 6.567 1.00 0.00 H new ATOM 730 N TRP A 43 9.955 -3.755 8.263 1.00 0.00 N ATOM 731 CA TRP A 43 8.952 -3.525 9.309 1.00 0.00 C ATOM 732 C TRP A 43 7.719 -4.421 9.078 1.00 0.00 C ATOM 733 O TRP A 43 7.435 -4.813 7.941 1.00 0.00 O ATOM 734 CB TRP A 43 8.572 -2.034 9.289 1.00 0.00 C ATOM 735 CG TRP A 43 7.396 -1.623 10.118 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.428 -1.114 11.372 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.991 -1.639 9.731 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.143 -0.798 11.774 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.219 -1.073 10.786 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.302 -2.081 8.584 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.830 -0.903 10.683 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.912 -1.900 8.468 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.174 -1.313 9.511 1.00 0.00 C ATOM 0 H TRP A 43 9.553 -4.204 7.440 1.00 0.00 H new ATOM 0 HA TRP A 43 9.358 -3.783 10.287 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.437 -1.459 9.619 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.375 -1.748 8.256 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.319 -0.976 11.966 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.907 -0.410 12.687 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.847 -2.564 7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.272 -0.462 11.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.406 -2.215 7.568 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.107 -1.178 9.411 1.00 0.00 H new ATOM 754 N THR A 44 6.960 -4.718 10.137 1.00 0.00 N ATOM 755 CA THR A 44 5.655 -5.404 10.073 1.00 0.00 C ATOM 756 C THR A 44 4.611 -4.735 10.970 1.00 0.00 C ATOM 757 O THR A 44 4.932 -4.200 12.037 1.00 0.00 O ATOM 758 CB THR A 44 5.747 -6.895 10.446 1.00 0.00 C ATOM 759 OG1 THR A 44 6.316 -7.075 11.728 1.00 0.00 O ATOM 760 CG2 THR A 44 6.593 -7.684 9.452 1.00 0.00 C ATOM 0 H THR A 44 7.239 -4.484 11.090 1.00 0.00 H new ATOM 0 HA THR A 44 5.342 -5.325 9.032 1.00 0.00 H new ATOM 0 HB THR A 44 4.722 -7.265 10.432 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.359 -8.032 11.936 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.630 -8.730 9.755 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.151 -7.610 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.604 -7.277 9.431 1.00 0.00 H new ATOM 768 N GLY A 45 3.345 -4.783 10.551 1.00 0.00 N ATOM 769 CA GLY A 45 2.232 -4.191 11.295 1.00 0.00 C ATOM 770 C GLY A 45 0.875 -4.349 10.615 1.00 0.00 C ATOM 771 O GLY A 45 0.585 -5.396 10.038 1.00 0.00 O ATOM 0 H GLY A 45 3.062 -5.236 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.186 -4.647 12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.431 -3.130 11.443 1.00 0.00 H new ATOM 775 N ARG A 46 0.040 -3.310 10.719 1.00 0.00 N ATOM 776 CA ARG A 46 -1.354 -3.259 10.251 1.00 0.00 C ATOM 777 C ARG A 46 -1.497 -2.391 9.002 1.00 0.00 C ATOM 778 O ARG A 46 -0.855 -1.343 8.893 1.00 0.00 O ATOM 779 CB ARG A 46 -2.283 -2.705 11.348 1.00 0.00 C ATOM 780 CG ARG A 46 -2.037 -3.259 12.762 1.00 0.00 C ATOM 781 CD ARG A 46 -3.141 -2.841 13.748 1.00 0.00 C ATOM 782 NE ARG A 46 -3.335 -1.374 13.830 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.890 -0.706 14.827 1.00 0.00 C ATOM 784 NH1 ARG A 46 -4.124 0.570 14.729 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.246 -1.287 15.940 1.00 0.00 N ATOM 0 H ARG A 46 0.331 -2.435 11.154 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.641 -4.282 10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.176 -1.621 11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.315 -2.916 11.068 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.982 -4.347 12.720 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.073 -2.905 13.127 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.080 -3.308 13.449 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.896 -3.223 14.739 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.007 -0.824 13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.879 1.069 13.874 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.553 1.071 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.099 -2.289 16.062 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.672 -0.739 16.688 1.00 0.00 H new ATOM 799 N LEU A 47 -2.403 -2.783 8.110 1.00 0.00 N ATOM 800 CA LEU A 47 -2.925 -1.920 7.049 1.00 0.00 C ATOM 801 C LEU A 47 -4.047 -1.037 7.611 1.00 0.00 C ATOM 802 O LEU A 47 -4.933 -1.548 8.300 1.00 0.00 O ATOM 803 CB LEU A 47 -3.475 -2.797 5.908 1.00 0.00 C ATOM 804 CG LEU A 47 -4.076 -1.999 4.733 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.976 -1.389 3.867 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.977 -2.898 3.895 1.00 0.00 C ATOM 0 H LEU A 47 -2.802 -3.722 8.102 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.127 -1.284 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.671 -3.429 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.240 -3.461 6.311 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.673 -1.184 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.427 -0.832 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.368 -0.716 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.347 -2.183 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.396 -2.324 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.395 -3.731 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.786 -3.283 4.516 1.00 0.00 H new ATOM 818 N ARG A 48 -4.077 0.243 7.228 1.00 0.00 N ATOM 819 CA ARG A 48 -5.251 1.118 7.379 1.00 0.00 C ATOM 820 C ARG A 48 -5.355 2.116 6.221 1.00 0.00 C ATOM 821 O ARG A 48 -4.821 3.223 6.261 1.00 0.00 O ATOM 822 CB ARG A 48 -5.226 1.767 8.776 1.00 0.00 C ATOM 823 CG ARG A 48 -6.428 2.695 9.024 1.00 0.00 C ATOM 824 CD ARG A 48 -6.771 2.781 10.518 1.00 0.00 C ATOM 825 NE ARG A 48 -7.663 3.917 10.806 1.00 0.00 N ATOM 826 CZ ARG A 48 -7.302 5.188 10.855 1.00 0.00 C ATOM 827 NH1 ARG A 48 -8.187 6.133 10.939 1.00 0.00 N ATOM 828 NH2 ARG A 48 -6.070 5.593 10.806 1.00 0.00 N ATOM 0 H ARG A 48 -3.278 0.710 6.799 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.167 0.531 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.214 0.985 9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.304 2.336 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.205 3.691 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.293 2.328 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.248 1.854 10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.853 2.883 11.097 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.645 3.705 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.180 5.901 10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.890 7.108 10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.313 4.914 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.859 6.590 10.849 1.00 0.00 H new ATOM 842 N ILE A 49 -6.073 1.711 5.174 1.00 0.00 N ATOM 843 CA ILE A 49 -6.455 2.591 4.066 1.00 0.00 C ATOM 844 C ILE A 49 -7.558 3.530 4.557 1.00 0.00 C ATOM 845 O ILE A 49 -8.568 3.089 5.112 1.00 0.00 O ATOM 846 CB ILE A 49 -6.897 1.816 2.804 1.00 0.00 C ATOM 847 CG1 ILE A 49 -5.911 0.681 2.472 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.034 2.785 1.611 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.247 -0.058 1.177 1.00 0.00 C ATOM 0 H ILE A 49 -6.410 0.754 5.068 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.579 3.163 3.760 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.867 1.362 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.906 1.095 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.900 -0.033 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.346 2.231 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.779 3.546 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.074 3.264 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.512 -0.844 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.240 -0.501 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.230 0.643 0.343 1.00 0.00 H new ATOM 861 N THR A 50 -7.353 4.823 4.344 1.00 0.00 N ATOM 862 CA THR A 50 -8.217 5.934 4.761 1.00 0.00 C ATOM 863 C THR A 50 -8.400 6.938 3.613 1.00 0.00 C ATOM 864 O THR A 50 -7.813 6.768 2.547 1.00 0.00 O ATOM 865 CB THR A 50 -7.639 6.615 6.020 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.231 6.654 6.050 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.094 5.924 7.300 1.00 0.00 C ATOM 0 H THR A 50 -6.527 5.151 3.844 1.00 0.00 H new ATOM 0 HA THR A 50 -9.202 5.540 5.013 1.00 0.00 H new ATOM 0 HB THR A 50 -8.023 7.634 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.933 7.099 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.665 6.435 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.182 5.956 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.762 4.886 7.291 1.00 0.00 H new ATOM 875 N SER A 51 -9.223 7.977 3.780 1.00 0.00 N ATOM 876 CA SER A 51 -9.384 9.071 2.816 1.00 0.00 C ATOM 877 C SER A 51 -9.903 10.325 3.494 1.00 0.00 C ATOM 878 O SER A 51 -10.692 10.248 4.442 1.00 0.00 O ATOM 879 CB SER A 51 -10.342 8.653 1.694 1.00 0.00 C ATOM 880 OG SER A 51 -10.518 9.696 0.745 1.00 0.00 O ATOM 0 H SER A 51 -9.809 8.084 4.608 1.00 0.00 H new ATOM 0 HA SER A 51 -8.405 9.290 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.953 7.766 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.307 8.381 2.121 1.00 0.00 H new ATOM 0 HG SER A 51 -10.777 9.312 -0.119 1.00 0.00 H new ATOM 886 N LYS A 52 -9.508 11.484 2.965 1.00 0.00 N ATOM 887 CA LYS A 52 -10.270 12.721 3.085 1.00 0.00 C ATOM 888 C LYS A 52 -10.055 13.669 1.896 1.00 0.00 C ATOM 889 O LYS A 52 -8.926 13.940 1.494 1.00 0.00 O ATOM 890 CB LYS A 52 -9.943 13.377 4.427 1.00 0.00 C ATOM 891 CG LYS A 52 -10.999 14.391 4.875 1.00 0.00 C ATOM 892 CD LYS A 52 -12.459 13.907 4.919 1.00 0.00 C ATOM 893 CE LYS A 52 -12.668 12.654 5.776 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.106 12.286 5.829 1.00 0.00 N ATOM 0 H LYS A 52 -8.642 11.588 2.437 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.333 12.481 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.845 12.603 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.977 13.876 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.729 14.744 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.947 15.251 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.087 14.710 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.795 13.701 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.091 11.826 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.296 12.832 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.197 11.253 5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.549 12.736 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.580 12.611 4.962 1.00 0.00 H new ATOM 908 N GLY A 53 -11.156 14.185 1.347 1.00 0.00 N ATOM 909 CA GLY A 53 -11.164 15.280 0.360 1.00 0.00 C ATOM 910 C GLY A 53 -10.641 14.884 -1.026 1.00 0.00 C ATOM 911 O GLY A 53 -9.740 15.537 -1.559 1.00 0.00 O ATOM 0 H GLY A 53 -12.091 13.849 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.183 15.654 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.559 16.102 0.742 1.00 0.00 H new ATOM 915 N LYS A 54 -11.177 13.789 -1.587 1.00 0.00 N ATOM 916 CA LYS A 54 -10.768 13.167 -2.870 1.00 0.00 C ATOM 917 C LYS A 54 -9.297 12.725 -2.890 1.00 0.00 C ATOM 918 O LYS A 54 -8.697 12.572 -3.954 1.00 0.00 O ATOM 919 CB LYS A 54 -11.156 14.045 -4.080 1.00 0.00 C ATOM 920 CG LYS A 54 -12.659 14.355 -4.174 1.00 0.00 C ATOM 921 CD LYS A 54 -12.931 15.296 -5.357 1.00 0.00 C ATOM 922 CE LYS A 54 -14.419 15.650 -5.415 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.712 16.611 -6.511 1.00 0.00 N ATOM 0 H LYS A 54 -11.944 13.284 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.337 12.242 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.605 14.984 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.841 13.543 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.222 13.430 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.002 14.815 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.337 16.204 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.626 14.820 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.004 14.742 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.729 16.079 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.729 16.828 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.173 17.487 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.439 16.191 -7.423 1.00 0.00 H new ATOM 937 N THR A 55 -8.730 12.491 -1.707 1.00 0.00 N ATOM 938 CA THR A 55 -7.369 11.994 -1.508 1.00 0.00 C ATOM 939 C THR A 55 -7.413 10.824 -0.533 1.00 0.00 C ATOM 940 O THR A 55 -7.707 11.006 0.650 1.00 0.00 O ATOM 941 CB THR A 55 -6.445 13.097 -0.973 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.516 14.265 -1.768 1.00 0.00 O ATOM 943 CG2 THR A 55 -4.992 12.636 -0.999 1.00 0.00 C ATOM 0 H THR A 55 -9.224 12.648 -0.829 1.00 0.00 H new ATOM 0 HA THR A 55 -6.967 11.667 -2.467 1.00 0.00 H new ATOM 0 HB THR A 55 -6.775 13.311 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.918 14.948 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.351 13.430 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.881 11.748 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.704 12.399 -2.023 1.00 0.00 H new ATOM 951 N ALA A 56 -7.126 9.622 -1.031 1.00 0.00 N ATOM 952 CA ALA A 56 -6.969 8.438 -0.197 1.00 0.00 C ATOM 953 C ALA A 56 -5.567 8.405 0.425 1.00 0.00 C ATOM 954 O ALA A 56 -4.637 9.038 -0.072 1.00 0.00 O ATOM 955 CB ALA A 56 -7.292 7.177 -0.999 1.00 0.00 C ATOM 0 H ALA A 56 -6.996 9.445 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.679 8.478 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.170 6.300 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.321 7.226 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.616 7.104 -1.851 1.00 0.00 H new ATOM 961 N TYR A 57 -5.416 7.652 1.507 1.00 0.00 N ATOM 962 CA TYR A 57 -4.202 7.536 2.300 1.00 0.00 C ATOM 963 C TYR A 57 -3.999 6.059 2.671 1.00 0.00 C ATOM 964 O TYR A 57 -4.719 5.529 3.518 1.00 0.00 O ATOM 965 CB TYR A 57 -4.343 8.421 3.558 1.00 0.00 C ATOM 966 CG TYR A 57 -4.696 9.889 3.341 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.770 10.738 2.704 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.920 10.422 3.813 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.066 12.102 2.518 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.214 11.787 3.636 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.290 12.631 2.983 1.00 0.00 C ATOM 972 OH TYR A 57 -5.575 13.953 2.829 1.00 0.00 O ATOM 0 H TYR A 57 -6.176 7.078 1.872 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.331 7.875 1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.108 7.980 4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.404 8.377 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.828 10.341 2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.631 9.779 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.356 12.745 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.148 12.189 4.000 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.459 14.143 3.206 1.00 0.00 H new ATOM 982 N ILE A 58 -3.029 5.366 2.066 1.00 0.00 N ATOM 983 CA ILE A 58 -2.601 4.048 2.565 1.00 0.00 C ATOM 984 C ILE A 58 -1.698 4.313 3.768 1.00 0.00 C ATOM 985 O ILE A 58 -0.517 4.618 3.589 1.00 0.00 O ATOM 986 CB ILE A 58 -1.915 3.175 1.481 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.858 2.721 0.343 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.339 1.891 2.112 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.163 3.792 -0.704 1.00 0.00 C ATOM 0 H ILE A 58 -2.528 5.688 1.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.469 3.457 2.857 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.142 3.817 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.413 1.861 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.797 2.384 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.861 1.289 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.604 2.157 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.145 1.318 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.831 3.381 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.641 4.646 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.235 4.114 -1.176 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.255 4.250 4.984 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.482 4.369 6.231 1.00 0.00 C ATOM 1003 C LYS A 59 -1.114 2.994 6.796 1.00 0.00 C ATOM 1004 O LYS A 59 -1.923 2.065 6.792 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.213 5.270 7.244 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.574 6.625 6.609 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.782 7.749 7.630 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.099 9.052 6.885 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.185 10.210 7.809 1.00 0.00 N ATOM 0 H LYS A 59 -3.255 4.115 5.133 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.535 4.860 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.119 4.773 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.581 5.430 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.782 6.915 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.483 6.509 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.597 7.495 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.887 7.873 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.328 9.240 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.042 8.944 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.401 11.071 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.938 10.042 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.277 10.329 8.302 1.00 0.00 H new ATOM 1023 N LEU A 60 0.123 2.869 7.269 1.00 0.00 N ATOM 1024 CA LEU A 60 0.685 1.677 7.912 1.00 0.00 C ATOM 1025 C LEU A 60 0.912 1.939 9.406 1.00 0.00 C ATOM 1026 O LEU A 60 1.512 2.949 9.773 1.00 0.00 O ATOM 1027 CB LEU A 60 1.987 1.287 7.188 1.00 0.00 C ATOM 1028 CG LEU A 60 1.820 0.140 6.179 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.758 0.390 5.106 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.148 -0.087 5.462 1.00 0.00 C ATOM 0 H LEU A 60 0.797 3.633 7.213 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.012 0.842 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.377 2.161 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.731 0.999 7.930 1.00 0.00 H new ATOM 0 HG LEU A 60 1.497 -0.723 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.707 -0.469 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.212 0.538 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.021 1.280 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.039 -0.900 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.439 0.824 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.915 -0.348 6.191 1.00 0.00 H new ATOM 1042 N GLU A 61 0.431 1.042 10.269 1.00 0.00 N ATOM 1043 CA GLU A 61 0.311 1.287 11.716 1.00 0.00 C ATOM 1044 C GLU A 61 0.851 0.133 12.576 1.00 0.00 C ATOM 1045 O GLU A 61 0.781 -1.030 12.179 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.157 1.546 12.075 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.735 2.816 11.431 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.203 3.062 11.825 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.809 2.210 12.525 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.765 4.104 11.410 1.00 0.00 O ATOM 0 H GLU A 61 0.110 0.116 9.986 1.00 0.00 H new ATOM 0 HA GLU A 61 0.924 2.161 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.754 0.688 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.249 1.624 13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.134 3.676 11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.662 2.735 10.346 1.00 0.00 H new ATOM 1057 N ASP A 62 1.366 0.421 13.776 1.00 0.00 N ATOM 1058 CA ASP A 62 1.889 -0.600 14.686 1.00 0.00 C ATOM 1059 C ASP A 62 0.798 -1.550 15.205 1.00 0.00 C ATOM 1060 O ASP A 62 -0.312 -1.141 15.550 1.00 0.00 O ATOM 1061 CB ASP A 62 2.606 0.046 15.868 1.00 0.00 C ATOM 1062 CG ASP A 62 3.181 -1.010 16.814 1.00 0.00 C ATOM 1063 OD1 ASP A 62 2.581 -1.193 17.894 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.130 -1.734 16.434 1.00 0.00 O ATOM 0 H ASP A 62 1.431 1.370 14.143 1.00 0.00 H new ATOM 0 HA ASP A 62 2.595 -1.194 14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.409 0.686 15.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.911 0.685 16.412 1.00 0.00 H new ATOM 1069 N LYS A 63 1.164 -2.825 15.338 1.00 0.00 N ATOM 1070 CA LYS A 63 0.285 -3.919 15.774 1.00 0.00 C ATOM 1071 C LYS A 63 -0.055 -3.985 17.272 1.00 0.00 C ATOM 1072 O LYS A 63 -0.881 -4.813 17.657 1.00 0.00 O ATOM 1073 CB LYS A 63 0.777 -5.271 15.196 1.00 0.00 C ATOM 1074 CG LYS A 63 2.303 -5.444 15.052 1.00 0.00 C ATOM 1075 CD LYS A 63 3.127 -5.216 16.330 1.00 0.00 C ATOM 1076 CE LYS A 63 4.621 -5.144 15.980 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.347 -4.217 16.886 1.00 0.00 N ATOM 0 H LYS A 63 2.114 -3.139 15.139 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.689 -3.680 15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.402 -6.071 15.834 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.324 -5.407 14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.502 -6.452 14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.657 -4.754 14.286 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.813 -4.292 16.816 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.949 -6.025 17.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.060 -6.139 16.048 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.739 -4.813 14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.372 -4.329 16.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.074 -3.237 16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.104 -4.435 17.873 1.00 0.00 H new ATOM 1091 N VAL A 64 0.513 -3.111 18.105 1.00 0.00 N ATOM 1092 CA VAL A 64 0.184 -2.987 19.539 1.00 0.00 C ATOM 1093 C VAL A 64 -0.394 -1.610 19.873 1.00 0.00 C ATOM 1094 O VAL A 64 -1.409 -1.531 20.568 1.00 0.00 O ATOM 1095 CB VAL A 64 1.414 -3.286 20.425 1.00 0.00 C ATOM 1096 CG1 VAL A 64 1.053 -3.300 21.917 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.041 -4.648 20.097 1.00 0.00 C ATOM 0 H VAL A 64 1.231 -2.453 17.802 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.583 -3.731 19.754 1.00 0.00 H new ATOM 0 HB VAL A 64 2.123 -2.485 20.215 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.945 -3.514 22.505 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.654 -2.327 22.204 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.303 -4.069 22.103 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.902 -4.817 20.743 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.305 -5.436 20.259 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.361 -4.660 19.055 1.00 0.00 H new ATOM 1107 N SER A 65 0.213 -0.534 19.362 1.00 0.00 N ATOM 1108 CA SER A 65 -0.094 0.849 19.768 1.00 0.00 C ATOM 1109 C SER A 65 -0.656 1.728 18.642 1.00 0.00 C ATOM 1110 O SER A 65 -1.041 2.872 18.892 1.00 0.00 O ATOM 1111 CB SER A 65 1.150 1.485 20.402 1.00 0.00 C ATOM 1112 OG SER A 65 1.461 0.839 21.629 1.00 0.00 O ATOM 0 H SER A 65 0.939 -0.595 18.648 1.00 0.00 H new ATOM 0 HA SER A 65 -0.898 0.789 20.502 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.995 1.408 19.718 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.976 2.547 20.576 1.00 0.00 H new ATOM 0 HG SER A 65 2.257 1.252 22.023 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.725 1.220 17.406 1.00 0.00 N ATOM 1119 CA GLY A 66 -1.308 1.933 16.257 1.00 0.00 C ATOM 1120 C GLY A 66 -0.437 3.075 15.716 1.00 0.00 C ATOM 1121 O GLY A 66 -0.918 3.928 14.970 1.00 0.00 O ATOM 0 H GLY A 66 -0.374 0.292 17.170 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.489 1.218 15.454 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.277 2.337 16.549 1.00 0.00 H new ATOM 1125 N GLU A 67 0.839 3.106 16.106 1.00 0.00 N ATOM 1126 CA GLU A 67 1.820 4.135 15.754 1.00 0.00 C ATOM 1127 C GLU A 67 2.043 4.197 14.238 1.00 0.00 C ATOM 1128 O GLU A 67 2.269 3.163 13.608 1.00 0.00 O ATOM 1129 CB GLU A 67 3.162 3.829 16.437 1.00 0.00 C ATOM 1130 CG GLU A 67 3.044 3.648 17.952 1.00 0.00 C ATOM 1131 CD GLU A 67 4.431 3.650 18.622 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.088 2.582 18.673 1.00 0.00 O ATOM 1133 OE2 GLU A 67 4.872 4.720 19.109 1.00 0.00 O ATOM 0 H GLU A 67 1.235 2.381 16.704 1.00 0.00 H new ATOM 0 HA GLU A 67 1.431 5.095 16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.585 2.923 16.002 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.861 4.639 16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.434 4.449 18.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.533 2.710 18.170 1.00 0.00 H new ATOM 1140 N LEU A 68 2.007 5.394 13.647 1.00 0.00 N ATOM 1141 CA LEU A 68 2.166 5.570 12.201 1.00 0.00 C ATOM 1142 C LEU A 68 3.612 5.265 11.759 1.00 0.00 C ATOM 1143 O LEU A 68 4.547 5.981 12.128 1.00 0.00 O ATOM 1144 CB LEU A 68 1.722 6.995 11.815 1.00 0.00 C ATOM 1145 CG LEU A 68 1.722 7.268 10.298 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.647 6.457 9.573 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.442 8.746 10.032 1.00 0.00 C ATOM 0 H LEU A 68 1.867 6.267 14.156 1.00 0.00 H new ATOM 0 HA LEU A 68 1.531 4.858 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.719 7.169 12.204 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.381 7.713 12.302 1.00 0.00 H new ATOM 0 HG LEU A 68 2.705 6.980 9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.681 6.679 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.827 5.393 9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.335 6.720 9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.444 8.929 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.468 9.012 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.214 9.353 10.505 1.00 0.00 H new ATOM 1159 N PHE A 69 3.786 4.227 10.940 1.00 0.00 N ATOM 1160 CA PHE A 69 5.060 3.877 10.304 1.00 0.00 C ATOM 1161 C PHE A 69 5.306 4.732 9.053 1.00 0.00 C ATOM 1162 O PHE A 69 6.342 5.392 8.940 1.00 0.00 O ATOM 1163 CB PHE A 69 5.067 2.375 9.975 1.00 0.00 C ATOM 1164 CG PHE A 69 6.200 1.942 9.060 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.518 1.876 9.550 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.947 1.652 7.704 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.576 1.523 8.693 1.00 0.00 C ATOM 1168 CE2 PHE A 69 7.008 1.319 6.843 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.322 1.247 7.338 1.00 0.00 C ATOM 0 H PHE A 69 3.028 3.590 10.694 1.00 0.00 H new ATOM 0 HA PHE A 69 5.877 4.087 10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.131 1.811 10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.118 2.113 9.508 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.718 2.097 10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.936 1.686 7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.584 1.464 9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.813 1.118 5.800 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.135 0.980 6.679 1.00 0.00 H new ATOM 1179 N ALA A 70 4.339 4.738 8.129 1.00 0.00 N ATOM 1180 CA ALA A 70 4.391 5.468 6.864 1.00 0.00 C ATOM 1181 C ALA A 70 2.977 5.724 6.310 1.00 0.00 C ATOM 1182 O ALA A 70 2.023 5.035 6.683 1.00 0.00 O ATOM 1183 CB ALA A 70 5.230 4.653 5.869 1.00 0.00 C ATOM 0 H ALA A 70 3.471 4.216 8.248 1.00 0.00 H new ATOM 0 HA ALA A 70 4.851 6.443 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.281 5.182 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.237 4.521 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.769 3.677 5.718 1.00 0.00 H new ATOM 1189 N GLN A 71 2.845 6.692 5.397 1.00 0.00 N ATOM 1190 CA GLN A 71 1.591 6.984 4.694 1.00 0.00 C ATOM 1191 C GLN A 71 1.814 7.359 3.223 1.00 0.00 C ATOM 1192 O GLN A 71 2.719 8.132 2.911 1.00 0.00 O ATOM 1193 CB GLN A 71 0.786 8.053 5.454 1.00 0.00 C ATOM 1194 CG GLN A 71 1.446 9.442 5.576 1.00 0.00 C ATOM 1195 CD GLN A 71 0.900 10.463 4.578 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.300 10.644 4.422 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.747 11.191 3.886 1.00 0.00 N ATOM 0 H GLN A 71 3.615 7.302 5.122 1.00 0.00 H new ATOM 0 HA GLN A 71 1.000 6.068 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.177 8.173 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.583 7.680 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.298 9.819 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.521 9.340 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.751 11.054 4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.401 11.893 3.232 1.00 0.00 H new ATOM 1206 N ALA A 72 0.980 6.830 2.323 1.00 0.00 N ATOM 1207 CA ALA A 72 1.004 7.109 0.885 1.00 0.00 C ATOM 1208 C ALA A 72 -0.313 7.776 0.423 1.00 0.00 C ATOM 1209 O ALA A 72 -1.331 7.085 0.302 1.00 0.00 O ATOM 1210 CB ALA A 72 1.302 5.800 0.137 1.00 0.00 C ATOM 0 H ALA A 72 0.245 6.173 2.585 1.00 0.00 H new ATOM 0 HA ALA A 72 1.793 7.825 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.323 5.991 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.269 5.411 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.525 5.069 0.360 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.320 9.102 0.174 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.446 9.820 -0.425 1.00 0.00 C ATOM 1218 C PRO A 73 -1.681 9.433 -1.890 1.00 0.00 C ATOM 1219 O PRO A 73 -0.728 9.292 -2.657 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.125 11.315 -0.312 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.065 11.376 0.783 1.00 0.00 C ATOM 1222 CD PRO A 73 0.686 10.062 0.600 1.00 0.00 C ATOM 0 HA PRO A 73 -2.365 9.562 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.751 11.716 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.009 11.895 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.592 12.237 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.512 11.452 1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.476 10.161 -0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.161 9.748 1.529 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.947 9.323 -2.291 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.392 8.924 -3.635 1.00 0.00 C ATOM 1232 C VAL A 74 -4.516 9.854 -4.097 1.00 0.00 C ATOM 1233 O VAL A 74 -5.513 9.996 -3.391 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.906 7.464 -3.651 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.951 6.920 -5.081 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.092 6.486 -2.798 1.00 0.00 C ATOM 0 H VAL A 74 -3.728 9.517 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.537 8.996 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.902 7.524 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.315 5.893 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.620 7.535 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.950 6.945 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.527 5.489 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.063 6.460 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.106 6.812 -1.758 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.400 10.473 -5.274 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.440 11.385 -5.804 1.00 0.00 C ATOM 1248 C GLU A 75 -6.497 10.665 -6.664 1.00 0.00 C ATOM 1249 O GLU A 75 -7.625 11.142 -6.801 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.781 12.520 -6.602 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.919 13.434 -5.719 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.352 14.611 -6.537 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.002 15.684 -6.600 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.248 14.476 -7.119 1.00 0.00 O ATOM 0 H GLU A 75 -3.593 10.364 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.971 11.795 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.162 12.093 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.554 13.114 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.516 13.815 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.101 12.860 -5.284 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.135 9.515 -7.242 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.008 8.586 -7.969 1.00 0.00 C ATOM 1263 C GLN A 76 -6.346 7.204 -8.079 1.00 0.00 C ATOM 1264 O GLN A 76 -5.117 7.118 -8.170 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.374 9.131 -9.369 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.274 9.123 -10.449 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.063 10.001 -10.136 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.005 11.177 -10.473 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.046 9.467 -9.491 1.00 0.00 N ATOM 0 H GLN A 76 -5.169 9.188 -7.214 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.934 8.485 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.218 8.552 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.720 10.158 -9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.934 8.098 -10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.709 9.451 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.081 8.489 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.224 10.032 -9.278 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.141 6.135 -8.128 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.677 4.757 -8.308 1.00 0.00 C ATOM 1280 C TYR A 77 -7.305 4.105 -9.561 1.00 0.00 C ATOM 1281 O TYR A 77 -8.531 4.176 -9.711 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.991 3.942 -7.051 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.450 2.531 -7.118 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.314 1.461 -7.412 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.076 2.303 -6.941 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -6.805 0.155 -7.534 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.558 1.004 -7.100 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.419 -0.074 -7.396 1.00 0.00 C ATOM 1289 OH TYR A 77 -4.900 -1.319 -7.570 1.00 0.00 O ATOM 0 H TYR A 77 -8.155 6.205 -8.041 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.598 4.773 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.570 4.447 -6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.071 3.906 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.370 1.642 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.419 3.121 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.473 -0.670 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.497 0.832 -6.995 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.929 -1.290 -7.438 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.522 3.440 -10.437 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.056 3.361 -10.437 1.00 0.00 C ATOM 1301 C PRO A 78 -4.365 4.726 -10.622 1.00 0.00 C ATOM 1302 O PRO A 78 -4.880 5.612 -11.307 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.685 2.390 -11.566 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.946 1.543 -11.731 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.051 2.561 -11.469 1.00 0.00 C ATOM 0 HA PRO A 78 -4.706 3.013 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.433 2.919 -12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.822 1.779 -11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.019 1.110 -12.729 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.977 0.716 -11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.296 3.118 -12.373 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.967 2.072 -11.138 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.195 4.891 -9.999 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.399 6.125 -10.031 1.00 0.00 C ATOM 1315 C GLY A 79 -0.950 5.944 -9.560 1.00 0.00 C ATOM 1316 O GLY A 79 -0.494 4.828 -9.317 1.00 0.00 O ATOM 0 H GLY A 79 -2.763 4.153 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.394 6.516 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.883 6.874 -9.405 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.218 7.055 -9.418 1.00 0.00 N ATOM 1321 CA ILE A 80 1.236 7.068 -9.148 1.00 0.00 C ATOM 1322 C ILE A 80 1.632 6.405 -7.819 1.00 0.00 C ATOM 1323 O ILE A 80 2.683 5.773 -7.721 1.00 0.00 O ATOM 1324 CB ILE A 80 1.764 8.523 -9.232 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.284 8.657 -8.986 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.055 9.484 -8.256 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.158 7.885 -9.975 1.00 0.00 C ATOM 0 H ILE A 80 -0.620 7.990 -9.488 1.00 0.00 H new ATOM 0 HA ILE A 80 1.708 6.457 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 80 1.541 8.802 -10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.554 9.712 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.508 8.311 -7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.471 10.486 -8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.012 9.508 -8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.204 9.139 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.209 8.036 -9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.921 6.823 -9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.968 8.245 -10.986 1.00 0.00 H new ATOM 1339 N ALA A 81 0.799 6.535 -6.787 1.00 0.00 N ATOM 1340 CA ALA A 81 1.144 6.163 -5.416 1.00 0.00 C ATOM 1341 C ALA A 81 0.812 4.714 -5.041 1.00 0.00 C ATOM 1342 O ALA A 81 1.013 4.343 -3.885 1.00 0.00 O ATOM 1343 CB ALA A 81 0.520 7.199 -4.480 1.00 0.00 C ATOM 0 H ALA A 81 -0.146 6.906 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 81 2.229 6.180 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.761 6.948 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.916 8.187 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.562 7.202 -4.610 1.00 0.00 H new ATOM 1349 N VAL A 82 0.338 3.897 -5.988 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.048 2.493 -5.760 1.00 0.00 C ATOM 1351 C VAL A 82 0.192 1.656 -7.025 1.00 0.00 C ATOM 1352 O VAL A 82 -0.299 1.979 -8.105 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.527 2.368 -5.341 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.835 0.937 -4.876 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.988 3.319 -4.228 1.00 0.00 C ATOM 0 H VAL A 82 0.208 4.196 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 82 0.574 2.118 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.073 2.644 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.883 0.867 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.638 0.239 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.203 0.688 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.042 3.145 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.400 3.138 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.849 4.351 -4.550 1.00 0.00 H new ATOM 1365 N GLU A 83 0.933 0.561 -6.884 1.00 0.00 N ATOM 1366 CA GLU A 83 1.424 -0.313 -7.957 1.00 0.00 C ATOM 1367 C GLU A 83 1.327 -1.802 -7.571 1.00 0.00 C ATOM 1368 O GLU A 83 1.273 -2.155 -6.394 1.00 0.00 O ATOM 1369 CB GLU A 83 2.878 0.083 -8.293 1.00 0.00 C ATOM 1370 CG GLU A 83 2.923 1.130 -9.414 1.00 0.00 C ATOM 1371 CD GLU A 83 4.306 1.772 -9.637 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.363 2.847 -10.283 1.00 0.00 O ATOM 1373 OE2 GLU A 83 5.340 1.196 -9.225 1.00 0.00 O ATOM 0 H GLU A 83 1.227 0.236 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 83 0.796 -0.181 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.365 0.479 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.438 -0.802 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.600 0.662 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.204 1.917 -9.187 1.00 0.00 H new ATOM 1380 N THR A 84 1.315 -2.689 -8.565 1.00 0.00 N ATOM 1381 CA THR A 84 1.209 -4.157 -8.434 1.00 0.00 C ATOM 1382 C THR A 84 2.497 -4.853 -8.888 1.00 0.00 C ATOM 1383 O THR A 84 3.336 -4.274 -9.586 1.00 0.00 O ATOM 1384 CB THR A 84 0.029 -4.677 -9.277 1.00 0.00 C ATOM 1385 OG1 THR A 84 0.112 -4.203 -10.607 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.315 -4.219 -8.710 1.00 0.00 C ATOM 0 H THR A 84 1.382 -2.396 -9.540 1.00 0.00 H new ATOM 0 HA THR A 84 1.044 -4.385 -7.381 1.00 0.00 H new ATOM 0 HB THR A 84 0.090 -5.765 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.646 -4.547 -11.125 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.123 -4.605 -9.331 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.428 -4.595 -7.693 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.354 -3.130 -8.701 1.00 0.00 H new ATOM 1394 N VAL A 85 2.648 -6.121 -8.504 1.00 0.00 N ATOM 1395 CA VAL A 85 3.625 -7.060 -9.056 1.00 0.00 C ATOM 1396 C VAL A 85 3.019 -7.789 -10.268 1.00 0.00 C ATOM 1397 O VAL A 85 1.845 -7.614 -10.602 1.00 0.00 O ATOM 1398 CB VAL A 85 4.076 -8.060 -7.977 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.649 -7.326 -6.766 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.950 -8.981 -7.514 1.00 0.00 C ATOM 0 H VAL A 85 2.072 -6.538 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 85 4.504 -6.509 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 85 4.845 -8.678 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.962 -8.052 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.508 -6.730 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.887 -6.672 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.328 -9.664 -6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.140 -8.384 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.577 -9.554 -8.363 1.00 0.00 H new ATOM 1410 N THR A 86 3.805 -8.661 -10.896 1.00 0.00 N ATOM 1411 CA THR A 86 3.402 -9.464 -12.068 1.00 0.00 C ATOM 1412 C THR A 86 3.132 -10.945 -11.738 1.00 0.00 C ATOM 1413 O THR A 86 2.352 -11.602 -12.431 1.00 0.00 O ATOM 1414 CB THR A 86 4.431 -9.269 -13.194 1.00 0.00 C ATOM 1415 OG1 THR A 86 4.004 -9.869 -14.398 1.00 0.00 O ATOM 1416 CG2 THR A 86 5.802 -9.837 -12.835 1.00 0.00 C ATOM 0 H THR A 86 4.766 -8.839 -10.603 1.00 0.00 H new ATOM 0 HA THR A 86 2.436 -9.098 -12.415 1.00 0.00 H new ATOM 0 HB THR A 86 4.517 -8.191 -13.327 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.680 -9.725 -15.093 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.492 -9.674 -13.663 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.181 -9.337 -11.943 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.714 -10.906 -12.642 1.00 0.00 H new ATOM 1424 N ASP A 87 3.713 -11.481 -10.653 1.00 0.00 N ATOM 1425 CA ASP A 87 3.618 -12.911 -10.305 1.00 0.00 C ATOM 1426 C ASP A 87 2.401 -13.279 -9.433 1.00 0.00 C ATOM 1427 O ASP A 87 1.667 -14.206 -9.785 1.00 0.00 O ATOM 1428 CB ASP A 87 4.919 -13.359 -9.633 1.00 0.00 C ATOM 1429 CG ASP A 87 4.935 -14.878 -9.392 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.627 -15.319 -8.259 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.251 -15.635 -10.341 1.00 0.00 O ATOM 0 H ASP A 87 4.263 -10.935 -9.990 1.00 0.00 H new ATOM 0 HA ASP A 87 3.466 -13.446 -11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.767 -13.080 -10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.037 -12.838 -8.683 1.00 0.00 H new ATOM 1436 N SER A 88 2.173 -12.576 -8.312 1.00 0.00 N ATOM 1437 CA SER A 88 1.105 -12.922 -7.348 1.00 0.00 C ATOM 1438 C SER A 88 0.366 -11.701 -6.798 1.00 0.00 C ATOM 1439 O SER A 88 0.980 -10.762 -6.299 1.00 0.00 O ATOM 1440 CB SER A 88 1.681 -13.762 -6.203 1.00 0.00 C ATOM 1441 OG SER A 88 0.654 -14.094 -5.282 1.00 0.00 O ATOM 0 H SER A 88 2.718 -11.756 -8.045 1.00 0.00 H new ATOM 0 HA SER A 88 0.365 -13.505 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.133 -14.671 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.471 -13.208 -5.696 1.00 0.00 H new ATOM 0 HG SER A 88 1.029 -14.632 -4.554 1.00 0.00 H new ATOM 1447 N SER A 89 -0.970 -11.713 -6.837 1.00 0.00 N ATOM 1448 CA SER A 89 -1.806 -10.543 -6.512 1.00 0.00 C ATOM 1449 C SER A 89 -1.809 -10.138 -5.027 1.00 0.00 C ATOM 1450 O SER A 89 -2.433 -9.136 -4.681 1.00 0.00 O ATOM 1451 CB SER A 89 -3.254 -10.741 -6.985 1.00 0.00 C ATOM 1452 OG SER A 89 -3.342 -11.537 -8.161 1.00 0.00 O ATOM 0 H SER A 89 -1.510 -12.539 -7.096 1.00 0.00 H new ATOM 0 HA SER A 89 -1.336 -9.723 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.831 -11.211 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.706 -9.768 -7.175 1.00 0.00 H new ATOM 0 HG SER A 89 -3.617 -10.976 -8.916 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.125 -10.880 -4.137 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.021 -10.569 -2.701 1.00 0.00 C ATOM 1460 C ARG A 90 0.094 -9.573 -2.337 1.00 0.00 C ATOM 1461 O ARG A 90 0.439 -9.467 -1.161 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.104 -11.843 -1.836 1.00 0.00 C ATOM 1463 CG ARG A 90 0.202 -12.631 -1.728 1.00 0.00 C ATOM 1464 CD ARG A 90 0.039 -13.890 -0.868 1.00 0.00 C ATOM 1465 NE ARG A 90 1.349 -14.522 -0.627 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.602 -15.642 0.022 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.827 -16.073 0.093 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.674 -16.346 0.605 1.00 0.00 N ATOM 0 H ARG A 90 -0.621 -11.727 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.908 -9.993 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.428 -11.564 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.873 -12.496 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.539 -12.913 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.976 -11.995 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.427 -13.631 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.626 -14.595 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 90 2.159 -14.033 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.579 -15.546 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.035 -16.938 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.297 -16.037 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.919 -17.206 1.095 1.00 0.00 H new ATOM 1482 N TYR A 91 0.646 -8.842 -3.316 1.00 0.00 N ATOM 1483 CA TYR A 91 1.804 -7.967 -3.162 1.00 0.00 C ATOM 1484 C TYR A 91 1.619 -6.672 -3.967 1.00 0.00 C ATOM 1485 O TYR A 91 1.188 -6.703 -5.124 1.00 0.00 O ATOM 1486 CB TYR A 91 3.061 -8.714 -3.626 1.00 0.00 C ATOM 1487 CG TYR A 91 3.369 -9.998 -2.878 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.036 -9.940 -1.641 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.005 -11.247 -3.423 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.315 -11.126 -0.931 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.326 -12.436 -2.739 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.968 -12.376 -1.485 1.00 0.00 C ATOM 1493 OH TYR A 91 4.219 -13.528 -0.803 1.00 0.00 O ATOM 0 H TYR A 91 0.281 -8.848 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 91 1.910 -7.693 -2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.954 -8.947 -4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.916 -8.045 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.335 -8.985 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.480 -11.292 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.794 -11.077 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.080 -13.393 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 91 4.180 -13.353 0.160 1.00 0.00 H new ATOM 1503 N PHE A 92 1.971 -5.534 -3.365 1.00 0.00 N ATOM 1504 CA PHE A 92 1.847 -4.194 -3.948 1.00 0.00 C ATOM 1505 C PHE A 92 3.075 -3.341 -3.642 1.00 0.00 C ATOM 1506 O PHE A 92 3.853 -3.647 -2.744 1.00 0.00 O ATOM 1507 CB PHE A 92 0.598 -3.486 -3.398 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.691 -4.229 -3.654 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.346 -4.116 -4.892 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.218 -5.058 -2.652 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.518 -4.854 -5.133 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.404 -5.770 -2.881 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.045 -5.682 -4.129 1.00 0.00 C ATOM 0 H PHE A 92 2.365 -5.518 -2.424 1.00 0.00 H new ATOM 0 HA PHE A 92 1.760 -4.313 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.717 -3.344 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.529 -2.494 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.950 -3.464 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.710 -5.148 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.013 -4.784 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.825 -6.385 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.943 -6.252 -4.316 1.00 0.00 H new ATOM 1523 N VAL A 93 3.219 -2.230 -4.353 1.00 0.00 N ATOM 1524 CA VAL A 93 4.139 -1.139 -4.019 1.00 0.00 C ATOM 1525 C VAL A 93 3.327 0.131 -3.778 1.00 0.00 C ATOM 1526 O VAL A 93 2.363 0.374 -4.502 1.00 0.00 O ATOM 1527 CB VAL A 93 5.183 -0.960 -5.134 1.00 0.00 C ATOM 1528 CG1 VAL A 93 6.157 0.187 -4.856 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.994 -2.245 -5.320 1.00 0.00 C ATOM 0 H VAL A 93 2.685 -2.053 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 93 4.690 -1.373 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 93 4.622 -0.723 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.870 0.266 -5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.603 1.121 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.693 -0.008 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.728 -2.100 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.508 -2.489 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.325 -3.062 -5.590 1.00 0.00 H new ATOM 1539 N ILE A 94 3.698 0.962 -2.800 1.00 0.00 N ATOM 1540 CA ILE A 94 3.089 2.288 -2.609 1.00 0.00 C ATOM 1541 C ILE A 94 4.133 3.395 -2.452 1.00 0.00 C ATOM 1542 O ILE A 94 5.217 3.170 -1.907 1.00 0.00 O ATOM 1543 CB ILE A 94 2.034 2.339 -1.479 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.562 2.034 -0.058 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.797 1.493 -1.813 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.688 0.555 0.331 1.00 0.00 C ATOM 0 H ILE A 94 4.425 0.739 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 94 2.544 2.478 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 94 1.741 3.388 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.543 2.497 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.902 2.519 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.081 1.556 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.336 1.867 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.094 0.454 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.068 0.478 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.709 0.079 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.376 0.056 -0.352 1.00 0.00 H new ATOM 1558 N ARG A 95 3.793 4.604 -2.919 1.00 0.00 N ATOM 1559 CA ARG A 95 4.655 5.797 -2.813 1.00 0.00 C ATOM 1560 C ARG A 95 4.396 6.549 -1.507 1.00 0.00 C ATOM 1561 O ARG A 95 3.643 7.525 -1.482 1.00 0.00 O ATOM 1562 CB ARG A 95 4.516 6.700 -4.052 1.00 0.00 C ATOM 1563 CG ARG A 95 5.656 7.726 -4.124 1.00 0.00 C ATOM 1564 CD ARG A 95 5.453 8.702 -5.287 1.00 0.00 C ATOM 1565 NE ARG A 95 6.563 9.670 -5.363 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.692 10.674 -6.207 1.00 0.00 C ATOM 1567 NH1 ARG A 95 7.735 11.445 -6.119 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.811 10.936 -7.130 1.00 0.00 N ATOM 0 H ARG A 95 2.905 4.787 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 95 5.693 5.465 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.518 6.087 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.558 7.219 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.710 8.280 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.608 7.208 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.384 8.148 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.510 9.234 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 95 7.316 9.549 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.440 11.269 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.848 12.226 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.979 10.353 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.953 11.724 -7.761 1.00 0.00 H new ATOM 1582 N ILE A 96 5.010 6.098 -0.415 1.00 0.00 N ATOM 1583 CA ILE A 96 4.908 6.786 0.880 1.00 0.00 C ATOM 1584 C ILE A 96 5.618 8.145 0.839 1.00 0.00 C ATOM 1585 O ILE A 96 6.650 8.303 0.183 1.00 0.00 O ATOM 1586 CB ILE A 96 5.311 5.905 2.082 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.799 5.490 2.122 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.419 4.655 2.151 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.672 6.432 2.958 1.00 0.00 C ATOM 0 H ILE A 96 5.586 5.257 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 96 3.851 6.989 1.052 1.00 0.00 H new ATOM 0 HB ILE A 96 5.161 6.537 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.876 4.481 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.186 5.456 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.715 4.043 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.378 4.957 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.531 4.077 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.704 6.081 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.624 7.438 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.309 6.448 3.986 1.00 0.00 H new ATOM 1601 N GLN A 97 5.028 9.140 1.502 1.00 0.00 N ATOM 1602 CA GLN A 97 5.407 10.557 1.441 1.00 0.00 C ATOM 1603 C GLN A 97 5.372 11.203 2.830 1.00 0.00 C ATOM 1604 O GLN A 97 4.577 10.828 3.694 1.00 0.00 O ATOM 1605 CB GLN A 97 4.463 11.308 0.481 1.00 0.00 C ATOM 1606 CG GLN A 97 4.783 11.036 -0.998 1.00 0.00 C ATOM 1607 CD GLN A 97 3.585 11.239 -1.920 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.187 12.352 -2.238 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.974 10.172 -2.387 1.00 0.00 N ATOM 0 H GLN A 97 4.237 8.976 2.125 1.00 0.00 H new ATOM 0 HA GLN A 97 6.429 10.622 1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.434 11.014 0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.533 12.379 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.592 11.694 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.144 10.013 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.301 9.242 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.173 10.275 -3.010 1.00 0.00 H new ATOM 1682 N SER A 103 9.637 11.494 -0.849 1.00 0.00 N ATOM 1683 CA SER A 103 8.958 10.222 -1.096 1.00 0.00 C ATOM 1684 C SER A 103 9.883 9.007 -1.233 1.00 0.00 C ATOM 1685 O SER A 103 11.074 9.141 -1.529 1.00 0.00 O ATOM 1686 CB SER A 103 8.057 10.340 -2.332 1.00 0.00 C ATOM 1687 OG SER A 103 8.803 10.422 -3.537 1.00 0.00 O ATOM 0 HA SER A 103 8.366 10.032 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.392 9.478 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.427 11.224 -2.236 1.00 0.00 H new ATOM 0 HG SER A 103 9.094 9.525 -3.803 1.00 0.00 H new ATOM 1693 N ALA A 104 9.311 7.814 -1.050 1.00 0.00 N ATOM 1694 CA ALA A 104 9.924 6.524 -1.365 1.00 0.00 C ATOM 1695 C ALA A 104 8.868 5.523 -1.867 1.00 0.00 C ATOM 1696 O ALA A 104 7.723 5.541 -1.414 1.00 0.00 O ATOM 1697 CB ALA A 104 10.643 5.990 -0.118 1.00 0.00 C ATOM 0 H ALA A 104 8.372 7.718 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 104 10.651 6.657 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.102 5.028 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.414 6.697 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.924 5.865 0.691 1.00 0.00 H new ATOM 1703 N PHE A 105 9.254 4.620 -2.771 1.00 0.00 N ATOM 1704 CA PHE A 105 8.432 3.474 -3.169 1.00 0.00 C ATOM 1705 C PHE A 105 8.786 2.266 -2.291 1.00 0.00 C ATOM 1706 O PHE A 105 9.915 1.771 -2.338 1.00 0.00 O ATOM 1707 CB PHE A 105 8.615 3.189 -4.666 1.00 0.00 C ATOM 1708 CG PHE A 105 7.871 4.150 -5.579 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.486 5.331 -6.037 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.556 3.852 -5.987 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.794 6.195 -6.908 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.866 4.706 -6.862 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.488 5.877 -7.327 1.00 0.00 C ATOM 0 H PHE A 105 10.153 4.663 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 105 7.376 3.695 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.678 3.228 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.279 2.173 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.489 5.575 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.073 2.957 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.266 7.102 -7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.862 4.464 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.964 6.533 -8.006 1.00 0.00 H new ATOM 1723 N ILE A 106 7.829 1.799 -1.484 1.00 0.00 N ATOM 1724 CA ILE A 106 7.990 0.642 -0.584 1.00 0.00 C ATOM 1725 C ILE A 106 7.113 -0.524 -1.039 1.00 0.00 C ATOM 1726 O ILE A 106 5.983 -0.312 -1.481 1.00 0.00 O ATOM 1727 CB ILE A 106 7.761 1.006 0.903 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.294 1.353 1.247 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.709 2.150 1.301 1.00 0.00 C ATOM 1730 CD1 ILE A 106 6.016 1.457 2.753 1.00 0.00 C ATOM 0 H ILE A 106 6.901 2.219 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 106 9.030 0.321 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 106 7.986 0.113 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.034 2.300 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.641 0.593 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.549 2.408 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.742 1.832 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.509 3.022 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.966 1.703 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.242 0.504 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.642 2.238 3.185 1.00 0.00 H new ATOM 1742 N GLY A 107 7.621 -1.751 -0.928 1.00 0.00 N ATOM 1743 CA GLY A 107 6.872 -2.967 -1.241 1.00 0.00 C ATOM 1744 C GLY A 107 6.126 -3.464 -0.007 1.00 0.00 C ATOM 1745 O GLY A 107 6.677 -3.430 1.094 1.00 0.00 O ATOM 0 H GLY A 107 8.575 -1.930 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.165 -2.769 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.553 -3.740 -1.598 1.00 0.00 H new ATOM 1749 N ILE A 108 4.892 -3.931 -0.187 1.00 0.00 N ATOM 1750 CA ILE A 108 4.081 -4.594 0.837 1.00 0.00 C ATOM 1751 C ILE A 108 3.505 -5.919 0.340 1.00 0.00 C ATOM 1752 O ILE A 108 3.290 -6.108 -0.857 1.00 0.00 O ATOM 1753 CB ILE A 108 2.965 -3.697 1.421 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.878 -3.276 0.405 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.589 -2.494 2.141 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.624 -2.667 1.059 1.00 0.00 C ATOM 0 H ILE A 108 4.410 -3.856 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 108 4.770 -4.803 1.655 1.00 0.00 H new ATOM 0 HB ILE A 108 2.421 -4.305 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.303 -2.552 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.585 -4.146 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.799 -1.865 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.229 -2.846 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.184 -1.915 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.094 -2.396 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.174 -3.397 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.904 -1.777 1.623 1.00 0.00 H new ATOM 1768 N GLY A 109 3.200 -6.827 1.265 1.00 0.00 N ATOM 1769 CA GLY A 109 2.425 -8.031 0.973 1.00 0.00 C ATOM 1770 C GLY A 109 1.562 -8.521 2.130 1.00 0.00 C ATOM 1771 O GLY A 109 1.714 -8.088 3.277 1.00 0.00 O ATOM 0 H GLY A 109 3.484 -6.748 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.783 -7.835 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.110 -8.828 0.684 1.00 0.00 H new ATOM 1775 N PHE A 110 0.650 -9.429 1.788 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.371 -9.999 2.671 1.00 0.00 C ATOM 1777 C PHE A 110 -0.174 -11.510 2.852 1.00 0.00 C ATOM 1778 O PHE A 110 0.488 -12.169 2.045 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.758 -9.698 2.082 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.115 -8.223 2.043 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -2.939 -7.680 3.045 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.611 -7.386 1.026 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.257 -6.311 3.030 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.930 -6.019 1.016 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.763 -5.484 2.007 1.00 0.00 C ATOM 0 H PHE A 110 0.599 -9.807 0.842 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.283 -9.544 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.804 -10.098 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.511 -10.226 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.328 -8.316 3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.978 -7.798 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -3.882 -5.894 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.532 -5.378 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.025 -4.437 1.985 1.00 0.00 H new ATOM 1795 N THR A 111 -0.795 -12.085 3.884 1.00 0.00 N ATOM 1796 CA THR A 111 -0.779 -13.534 4.135 1.00 0.00 C ATOM 1797 C THR A 111 -1.609 -14.316 3.108 1.00 0.00 C ATOM 1798 O THR A 111 -1.359 -15.500 2.872 1.00 0.00 O ATOM 1799 CB THR A 111 -1.242 -13.817 5.576 1.00 0.00 C ATOM 1800 OG1 THR A 111 -0.832 -15.108 5.978 1.00 0.00 O ATOM 1801 CG2 THR A 111 -2.754 -13.713 5.796 1.00 0.00 C ATOM 0 H THR A 111 -1.328 -11.558 4.576 1.00 0.00 H new ATOM 0 HA THR A 111 0.246 -13.885 4.020 1.00 0.00 H new ATOM 0 HB THR A 111 -0.774 -13.036 6.175 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.131 -15.275 6.896 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.986 -13.928 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.089 -12.705 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.265 -14.431 5.155 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.578 -13.662 2.452 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.522 -14.308 1.538 1.00 0.00 C ATOM 1811 C ASP A 112 -4.048 -13.348 0.459 1.00 0.00 C ATOM 1812 O ASP A 112 -4.238 -12.150 0.694 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.683 -14.918 2.342 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.544 -15.847 1.474 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.537 -15.367 0.881 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.203 -17.047 1.349 1.00 0.00 O ATOM 0 H ASP A 112 -2.727 -12.657 2.544 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.987 -15.099 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.286 -15.476 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.304 -14.120 2.748 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.319 -13.893 -0.733 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.830 -13.152 -1.895 1.00 0.00 C ATOM 1823 C ARG A 113 -6.210 -12.528 -1.653 1.00 0.00 C ATOM 1824 O ARG A 113 -6.464 -11.435 -2.148 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.827 -14.108 -3.100 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.062 -13.375 -4.426 1.00 0.00 C ATOM 1827 CD ARG A 113 -4.906 -14.346 -5.604 1.00 0.00 C ATOM 1828 NE ARG A 113 -4.990 -13.646 -6.902 1.00 0.00 N ATOM 1829 CZ ARG A 113 -5.937 -13.716 -7.818 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.801 -13.021 -8.908 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.007 -14.447 -7.683 1.00 0.00 N ATOM 0 H ARG A 113 -4.186 -14.886 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.178 -12.300 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.873 -14.633 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.601 -14.864 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.060 -12.937 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.353 -12.553 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.947 -14.859 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.682 -15.110 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.211 -13.025 -7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.975 -12.437 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.520 -13.059 -9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.143 -15.001 -6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.709 -14.465 -8.423 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.071 -13.158 -0.853 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.390 -12.626 -0.490 1.00 0.00 C ATOM 1847 C GLY A 114 -8.332 -11.382 0.409 1.00 0.00 C ATOM 1848 O GLY A 114 -9.219 -10.532 0.339 1.00 0.00 O ATOM 0 H GLY A 114 -6.871 -14.065 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.935 -12.379 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.958 -13.405 0.020 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.266 -11.228 1.203 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.043 -10.042 2.045 1.00 0.00 C ATOM 1854 C ASP A 115 -6.375 -8.906 1.258 1.00 0.00 C ATOM 1855 O ASP A 115 -6.747 -7.742 1.412 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.240 -10.424 3.296 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.091 -11.247 4.276 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.733 -12.409 4.579 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.127 -10.719 4.749 1.00 0.00 O ATOM 0 H ASP A 115 -6.527 -11.927 1.281 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.012 -9.664 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.360 -10.998 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.882 -9.521 3.791 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.468 -9.246 0.339 1.00 0.00 N ATOM 1865 CA ALA A 116 -4.931 -8.311 -0.645 1.00 0.00 C ATOM 1866 C ALA A 116 -5.985 -7.801 -1.645 1.00 0.00 C ATOM 1867 O ALA A 116 -5.927 -6.646 -2.064 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.820 -9.040 -1.380 1.00 0.00 C ATOM 0 H ALA A 116 -5.084 -10.188 0.259 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.570 -7.422 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.385 -8.379 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.049 -9.340 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.227 -9.925 -1.869 1.00 0.00 H new ATOM 1874 N PHE A 117 -6.984 -8.617 -1.996 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.107 -8.170 -2.826 1.00 0.00 C ATOM 1876 C PHE A 117 -8.875 -7.006 -2.177 1.00 0.00 C ATOM 1877 O PHE A 117 -9.244 -6.063 -2.873 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.030 -9.350 -3.174 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.803 -9.932 -4.562 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.501 -10.219 -5.023 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.903 -10.166 -5.412 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.302 -10.718 -6.323 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.704 -10.673 -6.709 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.403 -10.945 -7.166 1.00 0.00 C ATOM 0 H PHE A 117 -7.037 -9.596 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.698 -7.784 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.888 -10.138 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.066 -9.022 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.653 -10.055 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.904 -9.955 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.302 -10.927 -6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.551 -10.853 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.250 -11.328 -8.164 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.049 -6.998 -0.851 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.697 -5.876 -0.156 1.00 0.00 C ATOM 1896 C ASP A 118 -8.863 -4.579 -0.205 1.00 0.00 C ATOM 1897 O ASP A 118 -9.442 -3.495 -0.297 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.036 -6.265 1.290 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.199 -7.267 1.402 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.121 -8.163 2.277 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.214 -7.130 0.678 1.00 0.00 O ATOM 0 H ASP A 118 -8.751 -7.755 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.623 -5.662 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.151 -6.695 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.288 -5.365 1.850 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.526 -4.660 -0.233 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.646 -3.500 -0.458 1.00 0.00 C ATOM 1908 C PHE A 119 -6.944 -2.817 -1.806 1.00 0.00 C ATOM 1909 O PHE A 119 -7.182 -1.610 -1.847 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.171 -3.927 -0.330 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.149 -2.880 -0.734 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.533 -2.082 0.243 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.800 -2.707 -2.087 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.629 -1.077 -0.129 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.884 -1.710 -2.461 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.303 -0.887 -1.483 1.00 0.00 C ATOM 0 H PHE A 119 -7.020 -5.535 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 119 -6.846 -2.753 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.982 -4.213 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.014 -4.817 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.757 -2.243 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.239 -3.344 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.182 -0.448 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.626 -1.576 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.609 -0.111 -1.770 1.00 0.00 H new ATOM 1926 N ASN A 120 -6.990 -3.576 -2.907 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.189 -2.993 -4.244 1.00 0.00 C ATOM 1928 C ASN A 120 -8.658 -2.737 -4.631 1.00 0.00 C ATOM 1929 O ASN A 120 -8.927 -1.881 -5.480 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.432 -3.812 -5.307 1.00 0.00 C ATOM 1931 CG ASN A 120 -6.970 -5.213 -5.565 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.395 -6.208 -5.161 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.061 -5.353 -6.284 1.00 0.00 N ATOM 0 H ASN A 120 -6.893 -4.591 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.759 -1.992 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.447 -3.258 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.389 -3.893 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.415 -6.285 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.553 -4.529 -6.629 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.622 -3.451 -4.042 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.058 -3.229 -4.293 1.00 0.00 C ATOM 1942 C VAL A 121 -11.568 -2.012 -3.516 1.00 0.00 C ATOM 1943 O VAL A 121 -12.303 -1.202 -4.079 1.00 0.00 O ATOM 1944 CB VAL A 121 -11.884 -4.498 -3.997 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.399 -4.250 -4.009 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.605 -5.575 -5.054 1.00 0.00 C ATOM 0 H VAL A 121 -9.434 -4.201 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.187 -3.012 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.581 -4.815 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -13.922 -5.182 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.652 -3.509 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.700 -3.883 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.195 -6.464 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.876 -5.196 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.545 -5.830 -5.042 1.00 0.00 H new ATOM 1956 N SER A 122 -11.139 -1.818 -2.265 1.00 0.00 N ATOM 1957 CA SER A 122 -11.540 -0.642 -1.474 1.00 0.00 C ATOM 1958 C SER A 122 -11.048 0.683 -2.070 1.00 0.00 C ATOM 1959 O SER A 122 -11.729 1.699 -1.935 1.00 0.00 O ATOM 1960 CB SER A 122 -11.064 -0.764 -0.028 1.00 0.00 C ATOM 1961 OG SER A 122 -9.655 -0.787 0.038 1.00 0.00 O ATOM 0 H SER A 122 -10.514 -2.458 -1.775 1.00 0.00 H new ATOM 0 HA SER A 122 -12.630 -0.625 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.446 0.073 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.468 -1.674 0.416 1.00 0.00 H new ATOM 0 HG SER A 122 -9.339 -1.711 -0.047 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.918 0.674 -2.787 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.416 1.822 -3.547 1.00 0.00 C ATOM 1969 C LEU A 123 -10.260 2.091 -4.807 1.00 0.00 C ATOM 1970 O LEU A 123 -10.761 3.202 -4.984 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.929 1.604 -3.878 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.971 1.737 -2.677 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.572 1.272 -3.087 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.858 3.185 -2.185 1.00 0.00 C ATOM 0 H LEU A 123 -9.317 -0.147 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.506 2.718 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.810 0.611 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.633 2.323 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.377 1.123 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.894 1.366 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.613 0.230 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.210 1.888 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.173 3.229 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.480 3.815 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.840 3.542 -1.876 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.478 1.092 -5.669 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.206 1.308 -6.934 1.00 0.00 C ATOM 1988 C GLN A 124 -12.700 1.621 -6.729 1.00 0.00 C ATOM 1989 O GLN A 124 -13.276 2.411 -7.478 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.960 0.133 -7.896 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.785 -1.126 -7.601 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.255 -2.331 -8.371 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.848 -2.812 -9.328 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.106 -2.854 -7.994 1.00 0.00 N ATOM 0 H GLN A 124 -10.166 0.132 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.803 2.208 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.177 0.462 -8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.902 -0.128 -7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.761 -1.336 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.827 -0.951 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.604 -2.461 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.719 -3.652 -8.498 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.315 1.078 -5.672 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.697 1.369 -5.270 1.00 0.00 C ATOM 2005 C ASP A 125 -14.794 2.590 -4.329 1.00 0.00 C ATOM 2006 O ASP A 125 -15.888 2.976 -3.916 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.323 0.097 -4.669 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.827 0.233 -4.368 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.598 0.674 -5.256 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.255 -0.111 -3.240 1.00 0.00 O ATOM 0 H ASP A 125 -12.854 0.407 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.271 1.653 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.173 -0.733 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.798 -0.156 -3.748 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.676 3.255 -4.025 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.685 4.598 -3.438 1.00 0.00 C ATOM 2017 C HIS A 126 -13.623 5.690 -4.506 1.00 0.00 C ATOM 2018 O HIS A 126 -14.341 6.680 -4.400 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.549 4.739 -2.420 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.429 6.133 -1.866 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.400 6.785 -1.098 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.360 6.963 -2.037 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -12.883 7.989 -0.811 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.663 8.121 -1.360 1.00 0.00 N ATOM 0 H HIS A 126 -12.741 2.878 -4.179 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.633 4.730 -2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.714 4.040 -1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.608 4.459 -2.893 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -14.310 6.421 -0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -10.458 6.753 -2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.378 8.747 -0.221 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.824 5.511 -5.561 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.606 6.548 -6.578 1.00 0.00 C ATOM 2034 C PHE A 127 -13.590 6.538 -7.759 1.00 0.00 C ATOM 2035 O PHE A 127 -13.506 7.433 -8.604 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.145 6.508 -7.044 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.153 7.025 -6.019 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.230 6.153 -5.418 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.126 8.395 -5.699 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.242 6.650 -4.553 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.148 8.894 -4.822 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.196 8.024 -4.266 1.00 0.00 C ATOM 0 H PHE A 127 -12.311 4.647 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.817 7.499 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.885 5.481 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.049 7.098 -7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.281 5.094 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -10.858 9.064 -6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.521 5.979 -4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.128 9.945 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.426 8.413 -3.616 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.549 5.600 -7.833 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.451 5.484 -9.002 1.00 0.00 C ATOM 2054 C LYS A 128 -16.221 6.770 -9.344 1.00 0.00 C ATOM 2055 O LYS A 128 -16.460 7.042 -10.519 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.382 4.257 -8.924 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.615 4.364 -8.007 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.306 4.018 -6.550 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.565 4.169 -5.691 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.556 3.215 -4.555 1.00 0.00 N ATOM 0 H LYS A 128 -14.723 4.911 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.776 5.322 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.730 4.033 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.789 3.404 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.012 5.378 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.395 3.697 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.932 2.996 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.519 4.671 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.630 5.189 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.450 4.000 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.368 3.407 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.620 2.242 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.674 3.326 -4.016 1.00 0.00 H new