USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 76 SER OG : rot -113:sc= 0.0426 USER MOD Set 1.2: A 80 CYS SG : rot -91:sc= 0.73 USER MOD Set 1.3: A 82 THR OG1 : rot 136:sc= 0.861 USER MOD Single : A 19 THR OG1 : rot -37:sc= 0.0588 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.498 X(o=0.5,f=0.68) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 38 MET CE :methyl 155:sc= 0 (180deg=-0.127) USER MOD Single : A 41 THR OG1 : rot -66:sc= 2.01 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot -171:sc= 0.493 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -34:sc= 0.0802 USER MOD Single : A 70 ASN : amide:sc= -0.05 K(o=-0.05,f=-1.8!) USER MOD Single : A 73 SER OG : rot 43:sc= 1.06 USER MOD Single : A 81 GLN : amide:sc= 0.774 K(o=0.77,f=-3.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.01) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 105 MET CE :methyl 165:sc= -0.118 (180deg=-0.607) USER MOD Single : A 140 HIS : no HD1:sc=-0.00999 X(o=-0.01,f=-0.27) USER MOD Single : A 143 CYS SG : rot 180:sc=-0.00819 USER MOD Single : A 145 ASN : amide:sc= 1.41 K(o=1.4,f=-5.9!) USER MOD Single : A 147 ASN : amide:sc= 0.121 K(o=0.12,f=-2) USER MOD Single : A 148 TYR OH : rot 165:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 6.885 0.222 -11.813 1.00 0.00 N ATOM 234 CA THR A 19 6.307 1.561 -11.546 1.00 0.00 C ATOM 235 C THR A 19 4.826 1.534 -11.172 1.00 0.00 C ATOM 236 O THR A 19 4.336 2.491 -10.569 1.00 0.00 O ATOM 237 CB THR A 19 6.529 2.520 -12.721 1.00 0.00 C ATOM 238 OG1 THR A 19 5.912 2.001 -13.879 1.00 0.00 O ATOM 239 CG2 THR A 19 8.013 2.739 -13.024 1.00 0.00 C ATOM 0 HA THR A 19 6.847 1.928 -10.673 1.00 0.00 H new ATOM 0 HB THR A 19 6.093 3.478 -12.437 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.006 1.026 -13.891 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.115 3.426 -13.864 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.505 3.162 -12.148 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.477 1.786 -13.276 1.00 0.00 H new ATOM 247 N LYS A 20 4.135 0.429 -11.459 1.00 0.00 N ATOM 248 CA LYS A 20 2.777 0.124 -11.001 1.00 0.00 C ATOM 249 C LYS A 20 2.802 -0.983 -9.934 1.00 0.00 C ATOM 250 O LYS A 20 3.542 -1.958 -10.055 1.00 0.00 O ATOM 251 CB LYS A 20 1.903 -0.275 -12.204 1.00 0.00 C ATOM 252 CG LYS A 20 1.568 0.945 -13.077 1.00 0.00 C ATOM 253 CD LYS A 20 0.813 0.586 -14.364 1.00 0.00 C ATOM 254 CE LYS A 20 1.723 -0.140 -15.365 1.00 0.00 C ATOM 255 NZ LYS A 20 1.090 -0.244 -16.707 1.00 0.00 N ATOM 0 H LYS A 20 4.524 -0.311 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 20 2.345 1.012 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.424 -1.022 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.981 -0.736 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.967 1.644 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.492 1.460 -13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.041 -0.046 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.418 1.493 -14.821 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.670 0.393 -15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.951 -1.138 -14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.733 -0.740 -17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.199 -0.774 -16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.895 0.709 -17.074 1.00 0.00 H new ATOM 269 N PHE A 21 1.976 -0.854 -8.897 1.00 0.00 N ATOM 270 CA PHE A 21 1.962 -1.735 -7.730 1.00 0.00 C ATOM 271 C PHE A 21 0.520 -2.035 -7.319 1.00 0.00 C ATOM 272 O PHE A 21 -0.282 -1.126 -7.111 1.00 0.00 O ATOM 273 CB PHE A 21 2.738 -1.070 -6.580 1.00 0.00 C ATOM 274 CG PHE A 21 4.216 -0.844 -6.846 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.153 -1.833 -6.498 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.661 0.365 -7.421 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.526 -1.615 -6.705 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.033 0.578 -7.638 1.00 0.00 C ATOM 279 CZ PHE A 21 6.967 -0.408 -7.273 1.00 0.00 C ATOM 0 H PHE A 21 1.278 -0.112 -8.844 1.00 0.00 H new ATOM 0 HA PHE A 21 2.446 -2.680 -7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.274 -0.109 -6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.636 -1.688 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.816 -2.765 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.947 1.127 -7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.242 -2.375 -6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.371 1.501 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.022 -0.238 -7.429 1.00 0.00 H new ATOM 289 N LYS A 22 0.183 -3.319 -7.187 1.00 0.00 N ATOM 290 CA LYS A 22 -1.132 -3.749 -6.702 1.00 0.00 C ATOM 291 C LYS A 22 -1.301 -3.350 -5.226 1.00 0.00 C ATOM 292 O LYS A 22 -0.397 -3.562 -4.415 1.00 0.00 O ATOM 293 CB LYS A 22 -1.301 -5.268 -6.885 1.00 0.00 C ATOM 294 CG LYS A 22 -0.947 -5.819 -8.274 1.00 0.00 C ATOM 295 CD LYS A 22 -1.739 -5.205 -9.439 1.00 0.00 C ATOM 296 CE LYS A 22 -1.303 -5.782 -10.797 1.00 0.00 C ATOM 297 NZ LYS A 22 -1.645 -7.221 -10.956 1.00 0.00 N ATOM 0 H LYS A 22 0.812 -4.090 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.907 -3.252 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.681 -5.775 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.336 -5.528 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.116 -5.657 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.109 -6.897 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.803 -5.389 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.600 -4.124 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.776 -5.212 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.226 -5.656 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.388 -7.535 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.120 -7.782 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.666 -7.353 -10.810 1.00 0.00 H new ATOM 311 N VAL A 23 -2.450 -2.774 -4.883 1.00 0.00 N ATOM 312 CA VAL A 23 -2.741 -2.220 -3.545 1.00 0.00 C ATOM 313 C VAL A 23 -4.186 -2.485 -3.124 1.00 0.00 C ATOM 314 O VAL A 23 -5.063 -2.682 -3.966 1.00 0.00 O ATOM 315 CB VAL A 23 -2.432 -0.704 -3.442 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.923 -0.417 -3.453 1.00 0.00 C ATOM 317 CG2 VAL A 23 -3.144 0.156 -4.497 1.00 0.00 C ATOM 0 H VAL A 23 -3.228 -2.673 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.073 -2.742 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.839 -0.410 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.756 0.658 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.451 -0.916 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.489 -0.788 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.875 1.203 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.841 -0.165 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.223 0.042 -4.392 1.00 0.00 H new ATOM 327 N THR A 24 -4.431 -2.455 -1.810 1.00 0.00 N ATOM 328 CA THR A 24 -5.765 -2.568 -1.208 1.00 0.00 C ATOM 329 C THR A 24 -5.866 -1.542 -0.091 1.00 0.00 C ATOM 330 O THR A 24 -5.079 -1.585 0.849 1.00 0.00 O ATOM 331 CB THR A 24 -6.001 -3.990 -0.677 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.667 -4.951 -1.657 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.463 -4.213 -0.297 1.00 0.00 C ATOM 0 H THR A 24 -3.689 -2.349 -1.118 1.00 0.00 H new ATOM 0 HA THR A 24 -6.534 -2.374 -1.956 1.00 0.00 H new ATOM 0 HB THR A 24 -5.369 -4.101 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.822 -5.850 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.591 -5.230 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.749 -3.504 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.094 -4.065 -1.174 1.00 0.00 H new ATOM 341 N ASN A 25 -6.801 -0.600 -0.202 1.00 0.00 N ATOM 342 CA ASN A 25 -7.006 0.437 0.814 1.00 0.00 C ATOM 343 C ASN A 25 -7.551 -0.182 2.115 1.00 0.00 C ATOM 344 O ASN A 25 -8.392 -1.085 2.057 1.00 0.00 O ATOM 345 CB ASN A 25 -7.944 1.516 0.249 1.00 0.00 C ATOM 346 CG ASN A 25 -8.093 2.710 1.189 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.154 2.960 1.741 1.00 0.00 O ATOM 348 ND2 ASN A 25 -7.043 3.477 1.416 1.00 0.00 N ATOM 0 H ASN A 25 -7.438 -0.532 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.055 0.907 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.561 1.859 -0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.925 1.079 0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.120 4.273 2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.154 3.274 0.958 1.00 0.00 H new ATOM 355 N VAL A 26 -7.075 0.288 3.274 1.00 0.00 N ATOM 356 CA VAL A 26 -7.442 -0.277 4.587 1.00 0.00 C ATOM 357 C VAL A 26 -7.871 0.784 5.604 1.00 0.00 C ATOM 358 O VAL A 26 -7.459 1.942 5.525 1.00 0.00 O ATOM 359 CB VAL A 26 -6.330 -1.159 5.199 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.097 -2.437 4.385 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.989 -0.432 5.386 1.00 0.00 C ATOM 0 H VAL A 26 -6.424 1.071 3.333 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.304 -0.910 4.373 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.705 -1.417 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.307 -3.026 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.016 -3.022 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.801 -2.173 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.261 -1.117 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.627 -0.082 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.127 0.420 6.052 1.00 0.00 H new ATOM 371 N ASP A 27 -8.694 0.359 6.566 1.00 0.00 N ATOM 372 CA ASP A 27 -9.098 1.152 7.731 1.00 0.00 C ATOM 373 C ASP A 27 -8.044 1.134 8.864 1.00 0.00 C ATOM 374 O ASP A 27 -6.944 0.595 8.720 1.00 0.00 O ATOM 375 CB ASP A 27 -10.490 0.690 8.209 1.00 0.00 C ATOM 376 CG ASP A 27 -10.513 -0.617 9.026 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.527 -1.393 8.987 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.528 -0.855 9.715 1.00 0.00 O ATOM 0 H ASP A 27 -9.110 -0.572 6.556 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.165 2.197 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.929 1.484 8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.131 0.563 7.336 1.00 0.00 H new ATOM 383 N ASP A 28 -8.391 1.708 10.020 1.00 0.00 N ATOM 384 CA ASP A 28 -7.524 1.812 11.202 1.00 0.00 C ATOM 385 C ASP A 28 -7.240 0.475 11.918 1.00 0.00 C ATOM 386 O ASP A 28 -6.334 0.395 12.749 1.00 0.00 O ATOM 387 CB ASP A 28 -8.136 2.833 12.168 1.00 0.00 C ATOM 388 CG ASP A 28 -9.446 2.359 12.820 1.00 0.00 C ATOM 389 OD1 ASP A 28 -10.478 2.293 12.110 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.445 2.093 14.045 1.00 0.00 O ATOM 0 H ASP A 28 -9.310 2.126 10.165 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.546 2.141 10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.412 3.059 12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.324 3.762 11.630 1.00 0.00 H new ATOM 395 N GLU A 29 -7.985 -0.571 11.559 1.00 0.00 N ATOM 396 CA GLU A 29 -7.807 -1.959 12.008 1.00 0.00 C ATOM 397 C GLU A 29 -7.115 -2.847 10.947 1.00 0.00 C ATOM 398 O GLU A 29 -6.876 -4.033 11.195 1.00 0.00 O ATOM 399 CB GLU A 29 -9.175 -2.550 12.403 1.00 0.00 C ATOM 400 CG GLU A 29 -9.740 -1.983 13.712 1.00 0.00 C ATOM 401 CD GLU A 29 -8.997 -2.530 14.943 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.287 -3.674 15.368 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.134 -1.819 15.512 1.00 0.00 O ATOM 0 H GLU A 29 -8.769 -0.472 10.915 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.146 -1.944 12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.887 -2.362 11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.079 -3.632 12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.667 -0.896 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.799 -2.231 13.788 1.00 0.00 H new ATOM 410 N GLY A 30 -6.780 -2.300 9.770 1.00 0.00 N ATOM 411 CA GLY A 30 -6.127 -3.027 8.672 1.00 0.00 C ATOM 412 C GLY A 30 -7.081 -3.889 7.837 1.00 0.00 C ATOM 413 O GLY A 30 -6.614 -4.767 7.111 1.00 0.00 O ATOM 0 H GLY A 30 -6.959 -1.320 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.636 -2.308 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.347 -3.665 9.087 1.00 0.00 H new ATOM 417 N VAL A 31 -8.395 -3.665 7.932 1.00 0.00 N ATOM 418 CA VAL A 31 -9.431 -4.421 7.206 1.00 0.00 C ATOM 419 C VAL A 31 -9.464 -3.958 5.751 1.00 0.00 C ATOM 420 O VAL A 31 -9.569 -2.764 5.478 1.00 0.00 O ATOM 421 CB VAL A 31 -10.833 -4.270 7.849 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.886 -5.122 7.115 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.812 -4.697 9.327 1.00 0.00 C ATOM 0 H VAL A 31 -8.782 -2.935 8.530 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.173 -5.479 7.258 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.100 -3.216 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.857 -4.992 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.949 -4.806 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.598 -6.173 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.808 -4.581 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.505 -5.740 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.107 -4.073 9.876 1.00 0.00 H new ATOM 433 N GLU A 32 -9.361 -4.915 4.829 1.00 0.00 N ATOM 434 CA GLU A 32 -9.290 -4.702 3.380 1.00 0.00 C ATOM 435 C GLU A 32 -10.643 -4.239 2.818 1.00 0.00 C ATOM 436 O GLU A 32 -11.636 -4.972 2.864 1.00 0.00 O ATOM 437 CB GLU A 32 -8.799 -6.002 2.724 1.00 0.00 C ATOM 438 CG GLU A 32 -7.299 -6.227 2.991 1.00 0.00 C ATOM 439 CD GLU A 32 -6.864 -7.684 2.768 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.195 -8.278 1.715 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.166 -8.234 3.655 1.00 0.00 O ATOM 0 H GLU A 32 -9.323 -5.903 5.080 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.584 -3.903 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.371 -6.846 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.978 -5.961 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.717 -5.576 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.070 -5.938 4.017 1.00 0.00 H new ATOM 448 N LEU A 33 -10.677 -3.005 2.295 1.00 0.00 N ATOM 449 CA LEU A 33 -11.903 -2.315 1.869 1.00 0.00 C ATOM 450 C LEU A 33 -12.164 -2.468 0.365 1.00 0.00 C ATOM 451 O LEU A 33 -13.244 -2.905 -0.038 1.00 0.00 O ATOM 452 CB LEU A 33 -11.808 -0.820 2.240 1.00 0.00 C ATOM 453 CG LEU A 33 -11.539 -0.521 3.727 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.442 0.994 3.920 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.616 -1.111 4.645 1.00 0.00 C ATOM 0 H LEU A 33 -9.835 -2.447 2.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.742 -2.777 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.014 -0.366 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.739 -0.332 1.952 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.598 -0.996 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.252 1.216 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.627 1.387 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.379 1.460 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.380 -0.873 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.586 -0.687 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.648 -2.193 4.520 1.00 0.00 H new ATOM 467 N GLY A 34 -11.172 -2.106 -0.454 1.00 0.00 N ATOM 468 CA GLY A 34 -11.235 -2.171 -1.920 1.00 0.00 C ATOM 469 C GLY A 34 -9.862 -2.185 -2.585 1.00 0.00 C ATOM 470 O GLY A 34 -8.924 -1.543 -2.111 1.00 0.00 O ATOM 0 H GLY A 34 -10.280 -1.751 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.782 -3.067 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.801 -1.316 -2.290 1.00 0.00 H new ATOM 474 N SER A 35 -9.745 -2.916 -3.690 1.00 0.00 N ATOM 475 CA SER A 35 -8.507 -3.081 -4.463 1.00 0.00 C ATOM 476 C SER A 35 -8.308 -1.991 -5.536 1.00 0.00 C ATOM 477 O SER A 35 -9.265 -1.413 -6.062 1.00 0.00 O ATOM 478 CB SER A 35 -8.478 -4.489 -5.083 1.00 0.00 C ATOM 479 OG SER A 35 -9.653 -4.783 -5.836 1.00 0.00 O ATOM 0 H SER A 35 -10.532 -3.428 -4.089 1.00 0.00 H new ATOM 0 HA SER A 35 -7.670 -2.965 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.605 -4.579 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.365 -5.228 -4.290 1.00 0.00 H new ATOM 0 HG SER A 35 -9.585 -5.686 -6.210 1.00 0.00 H new ATOM 485 N GLY A 36 -7.041 -1.714 -5.866 1.00 0.00 N ATOM 486 CA GLY A 36 -6.604 -0.708 -6.836 1.00 0.00 C ATOM 487 C GLY A 36 -5.156 -0.908 -7.283 1.00 0.00 C ATOM 488 O GLY A 36 -4.473 -1.834 -6.829 1.00 0.00 O ATOM 0 H GLY A 36 -6.257 -2.210 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.257 -0.743 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.711 0.284 -6.397 1.00 0.00 H new ATOM 492 N VAL A 37 -4.684 -0.029 -8.168 1.00 0.00 N ATOM 493 CA VAL A 37 -3.297 -0.038 -8.674 1.00 0.00 C ATOM 494 C VAL A 37 -2.655 1.329 -8.447 1.00 0.00 C ATOM 495 O VAL A 37 -3.056 2.328 -9.040 1.00 0.00 O ATOM 496 CB VAL A 37 -3.215 -0.450 -10.163 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.752 -0.508 -10.645 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.858 -1.828 -10.402 1.00 0.00 C ATOM 0 H VAL A 37 -5.254 0.720 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.743 -0.792 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.759 0.308 -10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.726 -0.800 -11.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.292 0.473 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.202 -1.238 -10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.783 -2.086 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.339 -2.580 -9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.908 -1.795 -10.110 1.00 0.00 H new ATOM 508 N MET A 38 -1.633 1.353 -7.593 1.00 0.00 N ATOM 509 CA MET A 38 -0.802 2.521 -7.308 1.00 0.00 C ATOM 510 C MET A 38 0.214 2.698 -8.438 1.00 0.00 C ATOM 511 O MET A 38 0.820 1.727 -8.882 1.00 0.00 O ATOM 512 CB MET A 38 -0.105 2.300 -5.957 1.00 0.00 C ATOM 513 CG MET A 38 0.555 3.569 -5.405 1.00 0.00 C ATOM 514 SD MET A 38 -0.586 4.843 -4.801 1.00 0.00 S ATOM 515 CE MET A 38 -1.217 4.044 -3.304 1.00 0.00 C ATOM 0 H MET A 38 -1.351 0.529 -7.061 1.00 0.00 H new ATOM 0 HA MET A 38 -1.404 3.428 -7.249 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.834 1.933 -5.235 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.652 1.523 -6.068 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.221 3.286 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.177 4.004 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.557 4.805 -2.601 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.050 3.391 -3.564 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.424 3.454 -2.844 1.00 0.00 H new ATOM 525 N GLU A 39 0.410 3.926 -8.900 1.00 0.00 N ATOM 526 CA GLU A 39 1.301 4.268 -10.012 1.00 0.00 C ATOM 527 C GLU A 39 2.129 5.516 -9.674 1.00 0.00 C ATOM 528 O GLU A 39 1.586 6.594 -9.419 1.00 0.00 O ATOM 529 CB GLU A 39 0.452 4.462 -11.279 1.00 0.00 C ATOM 530 CG GLU A 39 1.284 4.818 -12.518 1.00 0.00 C ATOM 531 CD GLU A 39 0.383 5.048 -13.739 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.361 4.119 -14.129 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.411 6.158 -14.318 1.00 0.00 O ATOM 0 H GLU A 39 -0.059 4.740 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 39 2.011 3.461 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.108 3.548 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.278 5.251 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.871 5.715 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.990 4.015 -12.729 1.00 0.00 H new ATOM 540 N LEU A 40 3.458 5.377 -9.700 1.00 0.00 N ATOM 541 CA LEU A 40 4.399 6.466 -9.415 1.00 0.00 C ATOM 542 C LEU A 40 5.046 6.926 -10.729 1.00 0.00 C ATOM 543 O LEU A 40 5.782 6.164 -11.366 1.00 0.00 O ATOM 544 CB LEU A 40 5.444 6.014 -8.369 1.00 0.00 C ATOM 545 CG LEU A 40 4.982 6.129 -6.899 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.933 5.079 -6.504 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.181 5.981 -5.953 1.00 0.00 C ATOM 0 H LEU A 40 3.917 4.494 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 40 3.871 7.316 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.714 4.977 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.348 6.609 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 40 4.524 7.114 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.654 5.218 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.050 5.192 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.349 4.081 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.842 6.064 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.646 5.007 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.907 6.767 -6.161 1.00 0.00 H new ATOM 559 N THR A 41 4.761 8.172 -11.133 1.00 0.00 N ATOM 560 CA THR A 41 5.300 8.816 -12.350 1.00 0.00 C ATOM 561 C THR A 41 6.432 9.777 -11.989 1.00 0.00 C ATOM 562 O THR A 41 6.727 9.971 -10.813 1.00 0.00 O ATOM 563 CB THR A 41 4.196 9.540 -13.140 1.00 0.00 C ATOM 564 OG1 THR A 41 3.847 10.730 -12.476 1.00 0.00 O ATOM 565 CG2 THR A 41 2.938 8.696 -13.339 1.00 0.00 C ATOM 0 H THR A 41 4.132 8.781 -10.610 1.00 0.00 H new ATOM 0 HA THR A 41 5.702 8.033 -12.993 1.00 0.00 H new ATOM 0 HB THR A 41 4.605 9.745 -14.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.423 10.514 -11.619 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.202 9.268 -13.903 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.191 7.789 -13.888 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.522 8.428 -12.368 1.00 0.00 H new ATOM 573 N GLN A 42 7.032 10.433 -12.983 1.00 0.00 N ATOM 574 CA GLN A 42 7.987 11.530 -12.767 1.00 0.00 C ATOM 575 C GLN A 42 7.303 12.903 -12.582 1.00 0.00 C ATOM 576 O GLN A 42 7.989 13.919 -12.477 1.00 0.00 O ATOM 577 CB GLN A 42 9.020 11.556 -13.908 1.00 0.00 C ATOM 578 CG GLN A 42 9.922 10.311 -13.919 1.00 0.00 C ATOM 579 CD GLN A 42 11.021 10.414 -14.981 1.00 0.00 C ATOM 580 OE1 GLN A 42 10.838 10.075 -16.145 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.203 10.888 -14.633 1.00 0.00 N ATOM 0 H GLN A 42 6.871 10.220 -13.967 1.00 0.00 H new ATOM 0 HA GLN A 42 8.502 11.335 -11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.499 11.631 -14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.639 12.448 -13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.377 10.183 -12.937 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.316 9.425 -14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.374 11.175 -13.669 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.945 10.967 -15.328 1.00 0.00 H new ATOM 590 N SER A 43 5.965 12.965 -12.524 1.00 0.00 N ATOM 591 CA SER A 43 5.199 14.217 -12.368 1.00 0.00 C ATOM 592 C SER A 43 4.366 14.255 -11.073 1.00 0.00 C ATOM 593 O SER A 43 4.439 15.237 -10.331 1.00 0.00 O ATOM 594 CB SER A 43 4.291 14.426 -13.588 1.00 0.00 C ATOM 595 OG SER A 43 5.044 14.626 -14.781 1.00 0.00 O ATOM 0 H SER A 43 5.373 12.137 -12.585 1.00 0.00 H new ATOM 0 HA SER A 43 5.923 15.029 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.641 13.560 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.645 15.287 -13.417 1.00 0.00 H new ATOM 0 HG SER A 43 4.433 14.754 -15.536 1.00 0.00 H new ATOM 601 N GLU A 44 3.621 13.190 -10.759 1.00 0.00 N ATOM 602 CA GLU A 44 2.841 13.049 -9.528 1.00 0.00 C ATOM 603 C GLU A 44 2.583 11.576 -9.159 1.00 0.00 C ATOM 604 O GLU A 44 2.785 10.663 -9.969 1.00 0.00 O ATOM 605 CB GLU A 44 1.518 13.834 -9.633 1.00 0.00 C ATOM 606 CG GLU A 44 0.569 13.376 -10.751 1.00 0.00 C ATOM 607 CD GLU A 44 0.902 13.957 -12.135 1.00 0.00 C ATOM 608 OE1 GLU A 44 0.952 15.202 -12.280 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.060 13.175 -13.100 1.00 0.00 O ATOM 0 H GLU A 44 3.543 12.379 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 44 3.436 13.473 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.994 13.759 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.751 14.888 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.593 12.288 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.450 13.658 -10.486 1.00 0.00 H new ATOM 616 N LEU A 45 2.089 11.340 -7.940 1.00 0.00 N ATOM 617 CA LEU A 45 1.603 10.032 -7.505 1.00 0.00 C ATOM 618 C LEU A 45 0.180 9.840 -8.061 1.00 0.00 C ATOM 619 O LEU A 45 -0.651 10.741 -7.941 1.00 0.00 O ATOM 620 CB LEU A 45 1.627 9.973 -5.956 1.00 0.00 C ATOM 621 CG LEU A 45 2.034 8.620 -5.335 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.749 8.623 -3.828 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.340 7.427 -5.985 1.00 0.00 C ATOM 0 H LEU A 45 2.016 12.061 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 45 2.236 9.227 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.315 10.737 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.635 10.236 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 45 3.103 8.506 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.040 7.663 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.319 9.420 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.685 8.787 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.670 6.507 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.261 7.529 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.593 7.392 -7.045 1.00 0.00 H new ATOM 635 N VAL A 46 -0.105 8.689 -8.669 1.00 0.00 N ATOM 636 CA VAL A 46 -1.401 8.342 -9.278 1.00 0.00 C ATOM 637 C VAL A 46 -1.922 7.037 -8.657 1.00 0.00 C ATOM 638 O VAL A 46 -1.141 6.166 -8.279 1.00 0.00 O ATOM 639 CB VAL A 46 -1.261 8.233 -10.819 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.571 7.804 -11.506 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.800 9.566 -11.439 1.00 0.00 C ATOM 0 H VAL A 46 0.582 7.940 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.127 9.130 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.509 7.463 -10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.414 7.744 -12.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.877 6.828 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.350 8.536 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.712 9.454 -12.520 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.529 10.344 -11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.168 9.845 -11.024 1.00 0.00 H new ATOM 651 N LEU A 47 -3.244 6.892 -8.539 1.00 0.00 N ATOM 652 CA LEU A 47 -3.892 5.692 -8.011 1.00 0.00 C ATOM 653 C LEU A 47 -5.188 5.419 -8.780 1.00 0.00 C ATOM 654 O LEU A 47 -6.131 6.214 -8.750 1.00 0.00 O ATOM 655 CB LEU A 47 -4.115 5.860 -6.495 1.00 0.00 C ATOM 656 CG LEU A 47 -4.148 4.545 -5.688 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.616 4.845 -4.264 1.00 0.00 C ATOM 658 CD2 LEU A 47 -5.029 3.442 -6.277 1.00 0.00 C ATOM 0 H LEU A 47 -3.905 7.619 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.255 4.819 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.323 6.494 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.056 6.388 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.129 4.158 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.642 3.920 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.926 5.546 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.614 5.282 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.985 2.560 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.059 3.793 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.672 3.185 -7.274 1.00 0.00 H new ATOM 670 N HIS A 48 -5.221 4.280 -9.468 1.00 0.00 N ATOM 671 CA HIS A 48 -6.382 3.755 -10.187 1.00 0.00 C ATOM 672 C HIS A 48 -7.316 2.978 -9.232 1.00 0.00 C ATOM 673 O HIS A 48 -6.885 1.997 -8.610 1.00 0.00 O ATOM 674 CB HIS A 48 -5.871 2.862 -11.328 1.00 0.00 C ATOM 675 CG HIS A 48 -4.912 3.547 -12.268 1.00 0.00 C ATOM 676 ND1 HIS A 48 -5.279 4.343 -13.355 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.550 3.459 -12.220 1.00 0.00 C ATOM 678 CE1 HIS A 48 -4.124 4.705 -13.941 1.00 0.00 C ATOM 679 NE2 HIS A 48 -3.071 4.183 -13.287 1.00 0.00 N ATOM 0 H HIS A 48 -4.406 3.671 -9.544 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.971 4.574 -10.601 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.380 1.989 -10.899 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.725 2.498 -11.900 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.963 2.925 -11.487 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.052 5.331 -14.818 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.090 4.303 -13.538 1.00 0.00 H new ATOM 687 N LEU A 49 -8.577 3.417 -9.129 1.00 0.00 N ATOM 688 CA LEU A 49 -9.624 2.881 -8.239 1.00 0.00 C ATOM 689 C LEU A 49 -10.846 2.389 -9.038 1.00 0.00 C ATOM 690 O LEU A 49 -10.977 2.666 -10.231 1.00 0.00 O ATOM 691 CB LEU A 49 -10.055 3.983 -7.242 1.00 0.00 C ATOM 692 CG LEU A 49 -8.972 4.462 -6.255 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.533 5.620 -5.418 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.508 3.340 -5.313 1.00 0.00 C ATOM 0 H LEU A 49 -8.916 4.197 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.215 2.027 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.406 4.844 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.904 3.613 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.109 4.785 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.772 5.964 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.818 6.441 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.408 5.279 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.745 3.725 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.357 2.977 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.092 2.521 -5.900 1.00 0.00 H new ATOM 786 N ALA A 54 -9.566 7.815 -11.246 1.00 0.00 N ATOM 787 CA ALA A 54 -8.161 7.789 -10.828 1.00 0.00 C ATOM 788 C ALA A 54 -7.776 9.055 -10.026 1.00 0.00 C ATOM 789 O ALA A 54 -8.081 10.179 -10.433 1.00 0.00 O ATOM 790 CB ALA A 54 -7.270 7.587 -12.060 1.00 0.00 C ATOM 0 HA ALA A 54 -8.008 6.950 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.224 7.567 -11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.525 6.643 -12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.427 8.407 -12.761 1.00 0.00 H new ATOM 796 N VAL A 55 -7.108 8.865 -8.885 1.00 0.00 N ATOM 797 CA VAL A 55 -6.791 9.918 -7.899 1.00 0.00 C ATOM 798 C VAL A 55 -5.323 10.328 -8.018 1.00 0.00 C ATOM 799 O VAL A 55 -4.451 9.469 -8.120 1.00 0.00 O ATOM 800 CB VAL A 55 -7.103 9.456 -6.455 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.748 10.536 -5.420 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.595 9.120 -6.297 1.00 0.00 C ATOM 0 H VAL A 55 -6.759 7.948 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.422 10.780 -8.116 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.494 8.570 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.982 10.172 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.684 10.765 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.326 11.438 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.789 8.798 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.193 10.004 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.863 8.319 -6.986 1.00 0.00 H new ATOM 812 N ARG A 56 -5.064 11.641 -7.999 1.00 0.00 N ATOM 813 CA ARG A 56 -3.736 12.241 -8.155 1.00 0.00 C ATOM 814 C ARG A 56 -3.313 12.998 -6.887 1.00 0.00 C ATOM 815 O ARG A 56 -4.110 13.753 -6.322 1.00 0.00 O ATOM 816 CB ARG A 56 -3.773 13.227 -9.334 1.00 0.00 C ATOM 817 CG ARG A 56 -4.202 12.585 -10.669 1.00 0.00 C ATOM 818 CD ARG A 56 -4.517 13.656 -11.717 1.00 0.00 C ATOM 819 NE ARG A 56 -5.689 14.467 -11.331 1.00 0.00 N ATOM 820 CZ ARG A 56 -6.023 15.663 -11.799 1.00 0.00 C ATOM 821 NH1 ARG A 56 -5.358 16.251 -12.772 1.00 0.00 N ATOM 822 NH2 ARG A 56 -7.052 16.286 -11.271 1.00 0.00 N ATOM 0 H ARG A 56 -5.798 12.337 -7.870 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.015 11.444 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.460 14.039 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.785 13.670 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.408 11.935 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.079 11.958 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.651 14.305 -11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.704 13.180 -12.679 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.309 14.064 -10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.554 15.786 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.647 17.171 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.579 15.850 -10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.324 17.206 -11.617 1.00 0.00 H new ATOM 836 N TRP A 57 -2.041 12.870 -6.501 1.00 0.00 N ATOM 837 CA TRP A 57 -1.400 13.672 -5.452 1.00 0.00 C ATOM 838 C TRP A 57 -0.023 14.175 -5.935 1.00 0.00 C ATOM 839 O TRP A 57 0.871 13.347 -6.140 1.00 0.00 O ATOM 840 CB TRP A 57 -1.249 12.843 -4.165 1.00 0.00 C ATOM 841 CG TRP A 57 -2.516 12.363 -3.528 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.369 13.114 -2.797 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.073 11.013 -3.518 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.407 12.329 -2.335 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.254 11.015 -2.716 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.685 9.781 -4.088 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.994 9.849 -2.465 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.428 8.610 -3.853 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.575 8.637 -3.041 1.00 0.00 C ATOM 0 H TRP A 57 -1.410 12.187 -6.920 1.00 0.00 H new ATOM 0 HA TRP A 57 -2.029 14.535 -5.235 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.629 11.975 -4.389 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.706 13.442 -3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.256 14.170 -2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.189 12.679 -1.781 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.805 9.737 -4.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.873 9.882 -1.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.114 7.679 -4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.132 7.730 -2.860 1.00 0.00 H new ATOM 860 N PRO A 58 0.180 15.498 -6.125 1.00 0.00 N ATOM 861 CA PRO A 58 1.490 16.044 -6.467 1.00 0.00 C ATOM 862 C PRO A 58 2.463 15.813 -5.318 1.00 0.00 C ATOM 863 O PRO A 58 2.134 16.051 -4.156 1.00 0.00 O ATOM 864 CB PRO A 58 1.285 17.535 -6.740 1.00 0.00 C ATOM 865 CG PRO A 58 -0.015 17.879 -6.019 1.00 0.00 C ATOM 866 CD PRO A 58 -0.802 16.570 -6.008 1.00 0.00 C ATOM 0 HA PRO A 58 1.915 15.557 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.118 18.126 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.212 17.737 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.175 18.237 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.561 18.666 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.378 16.471 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.513 16.537 -6.834 1.00 0.00 H new ATOM 874 N TYR A 59 3.673 15.359 -5.652 1.00 0.00 N ATOM 875 CA TYR A 59 4.691 14.994 -4.660 1.00 0.00 C ATOM 876 C TYR A 59 5.035 16.150 -3.716 1.00 0.00 C ATOM 877 O TYR A 59 5.164 15.950 -2.510 1.00 0.00 O ATOM 878 CB TYR A 59 5.943 14.486 -5.387 1.00 0.00 C ATOM 879 CG TYR A 59 5.732 13.208 -6.174 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.177 12.083 -5.538 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.108 13.126 -7.529 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.004 10.882 -6.243 1.00 0.00 C ATOM 883 CE2 TYR A 59 5.959 11.915 -8.233 1.00 0.00 C ATOM 884 CZ TYR A 59 5.409 10.784 -7.586 1.00 0.00 C ATOM 885 OH TYR A 59 5.268 9.596 -8.231 1.00 0.00 O ATOM 0 H TYR A 59 3.976 15.233 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 59 4.283 14.202 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.295 15.263 -6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.733 14.321 -4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.882 12.144 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.512 13.994 -8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.558 10.030 -5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.265 11.850 -9.267 1.00 0.00 H new ATOM 0 HH TYR A 59 5.724 9.638 -9.098 1.00 0.00 H new ATOM 895 N LEU A 60 5.076 17.378 -4.237 1.00 0.00 N ATOM 896 CA LEU A 60 5.351 18.590 -3.462 1.00 0.00 C ATOM 897 C LEU A 60 4.266 18.936 -2.423 1.00 0.00 C ATOM 898 O LEU A 60 4.558 19.670 -1.477 1.00 0.00 O ATOM 899 CB LEU A 60 5.712 19.718 -4.445 1.00 0.00 C ATOM 900 CG LEU A 60 4.526 20.273 -5.258 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.975 21.514 -4.554 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.969 20.639 -6.680 1.00 0.00 C ATOM 0 H LEU A 60 4.916 17.561 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 60 6.212 18.420 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.165 20.536 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.468 19.348 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 60 3.752 19.508 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.135 21.913 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.639 21.245 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.757 22.270 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.117 21.029 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.750 21.398 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.355 19.751 -7.181 1.00 0.00 H new ATOM 914 N CYS A 61 3.055 18.367 -2.537 1.00 0.00 N ATOM 915 CA CYS A 61 1.999 18.462 -1.510 1.00 0.00 C ATOM 916 C CYS A 61 1.959 17.273 -0.521 1.00 0.00 C ATOM 917 O CYS A 61 1.117 17.263 0.382 1.00 0.00 O ATOM 918 CB CYS A 61 0.645 18.693 -2.196 1.00 0.00 C ATOM 919 SG CYS A 61 0.674 20.287 -3.074 1.00 0.00 S ATOM 0 H CYS A 61 2.776 17.822 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 61 2.240 19.318 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.437 17.884 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.155 18.688 -1.456 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.472 20.482 -3.657 1.00 0.00 H new ATOM 925 N LEU A 62 2.857 16.286 -0.647 1.00 0.00 N ATOM 926 CA LEU A 62 3.053 15.234 0.357 1.00 0.00 C ATOM 927 C LEU A 62 3.996 15.754 1.446 1.00 0.00 C ATOM 928 O LEU A 62 5.175 16.003 1.181 1.00 0.00 O ATOM 929 CB LEU A 62 3.625 13.951 -0.283 1.00 0.00 C ATOM 930 CG LEU A 62 2.766 13.308 -1.388 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.492 12.063 -1.918 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.374 12.913 -0.879 1.00 0.00 C ATOM 0 H LEU A 62 3.472 16.196 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 62 2.088 14.979 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.605 14.183 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.780 13.214 0.505 1.00 0.00 H new ATOM 0 HG LEU A 62 2.627 14.042 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.893 11.599 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.461 12.352 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.638 11.353 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.803 12.464 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.474 12.194 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.854 13.800 -0.517 1.00 0.00 H new ATOM 944 N ARG A 63 3.496 15.903 2.678 1.00 0.00 N ATOM 945 CA ARG A 63 4.325 16.350 3.807 1.00 0.00 C ATOM 946 C ARG A 63 5.280 15.242 4.274 1.00 0.00 C ATOM 947 O ARG A 63 6.432 15.530 4.606 1.00 0.00 O ATOM 948 CB ARG A 63 3.445 16.835 4.974 1.00 0.00 C ATOM 949 CG ARG A 63 2.681 18.128 4.626 1.00 0.00 C ATOM 950 CD ARG A 63 1.692 18.558 5.718 1.00 0.00 C ATOM 951 NE ARG A 63 2.358 18.894 6.992 1.00 0.00 N ATOM 952 CZ ARG A 63 1.751 19.051 8.164 1.00 0.00 C ATOM 953 NH1 ARG A 63 0.451 18.884 8.302 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.449 19.383 9.229 1.00 0.00 N ATOM 0 H ARG A 63 2.522 15.721 2.920 1.00 0.00 H new ATOM 0 HA ARG A 63 4.930 17.188 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.733 16.054 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.069 17.008 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.398 18.932 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.140 17.982 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.126 19.422 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.975 17.755 5.889 1.00 0.00 H new ATOM 0 HE ARG A 63 3.370 19.016 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.119 18.627 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.014 19.012 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.457 19.520 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.982 19.503 10.128 1.00 0.00 H new ATOM 968 N ARG A 64 4.815 13.984 4.279 1.00 0.00 N ATOM 969 CA ARG A 64 5.509 12.840 4.890 1.00 0.00 C ATOM 970 C ARG A 64 4.908 11.483 4.491 1.00 0.00 C ATOM 971 O ARG A 64 3.740 11.397 4.107 1.00 0.00 O ATOM 972 CB ARG A 64 5.587 13.026 6.418 1.00 0.00 C ATOM 973 CG ARG A 64 4.233 13.213 7.126 1.00 0.00 C ATOM 974 CD ARG A 64 4.448 13.512 8.614 1.00 0.00 C ATOM 975 NE ARG A 64 3.211 13.334 9.395 1.00 0.00 N ATOM 976 CZ ARG A 64 3.134 13.273 10.720 1.00 0.00 C ATOM 977 NH1 ARG A 64 4.190 13.446 11.489 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.977 13.033 11.298 1.00 0.00 N ATOM 0 H ARG A 64 3.926 13.728 3.849 1.00 0.00 H new ATOM 0 HA ARG A 64 6.525 12.821 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.087 12.158 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.213 13.893 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.681 14.029 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.628 12.313 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.224 12.855 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.807 14.535 8.731 1.00 0.00 H new ATOM 0 HE ARG A 64 2.339 13.250 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.101 13.633 11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.096 13.393 12.503 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.142 12.894 10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.915 12.986 12.315 1.00 0.00 H new ATOM 992 N TYR A 65 5.708 10.420 4.584 1.00 0.00 N ATOM 993 CA TYR A 65 5.430 9.081 4.040 1.00 0.00 C ATOM 994 C TYR A 65 6.280 7.986 4.716 1.00 0.00 C ATOM 995 O TYR A 65 7.393 8.252 5.165 1.00 0.00 O ATOM 996 CB TYR A 65 5.630 9.102 2.515 1.00 0.00 C ATOM 997 CG TYR A 65 6.950 9.691 2.043 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.103 8.886 1.984 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.021 11.043 1.650 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.325 9.423 1.539 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.242 11.591 1.213 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.399 10.783 1.157 1.00 0.00 C ATOM 1003 OH TYR A 65 10.576 11.326 0.735 1.00 0.00 O ATOM 0 H TYR A 65 6.608 10.466 5.061 1.00 0.00 H new ATOM 0 HA TYR A 65 4.393 8.827 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.551 8.081 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.816 9.670 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.049 7.849 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.136 11.661 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.205 8.798 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.294 12.629 0.921 1.00 0.00 H new ATOM 0 HH TYR A 65 10.439 12.271 0.513 1.00 0.00 H new ATOM 1013 N GLY A 66 5.749 6.762 4.820 1.00 0.00 N ATOM 1014 CA GLY A 66 6.314 5.649 5.597 1.00 0.00 C ATOM 1015 C GLY A 66 5.828 4.272 5.137 1.00 0.00 C ATOM 1016 O GLY A 66 4.926 4.152 4.305 1.00 0.00 O ATOM 0 H GLY A 66 4.881 6.509 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.401 5.683 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.057 5.783 6.648 1.00 0.00 H new ATOM 1020 N TYR A 67 6.423 3.215 5.690 1.00 0.00 N ATOM 1021 CA TYR A 67 6.240 1.836 5.219 1.00 0.00 C ATOM 1022 C TYR A 67 6.534 0.763 6.294 1.00 0.00 C ATOM 1023 O TYR A 67 7.661 0.579 6.756 1.00 0.00 O ATOM 1024 CB TYR A 67 7.081 1.630 3.946 1.00 0.00 C ATOM 1025 CG TYR A 67 8.550 1.305 4.178 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.415 2.235 4.792 1.00 0.00 C ATOM 1027 CD2 TYR A 67 9.018 0.010 3.884 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.745 1.881 5.086 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.347 -0.350 4.174 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.219 0.589 4.769 1.00 0.00 C ATOM 1031 OH TYR A 67 12.508 0.251 5.058 1.00 0.00 O ATOM 0 H TYR A 67 7.054 3.290 6.488 1.00 0.00 H new ATOM 0 HA TYR A 67 5.184 1.699 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.636 0.823 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.018 2.533 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.055 3.223 5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.353 -0.712 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.403 2.598 5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.700 -1.344 3.942 1.00 0.00 H new ATOM 0 HH TYR A 67 12.675 -0.673 4.778 1.00 0.00 H new ATOM 1041 N ASP A 68 5.519 0.002 6.689 1.00 0.00 N ATOM 1042 CA ASP A 68 5.699 -1.179 7.545 1.00 0.00 C ATOM 1043 C ASP A 68 6.021 -2.435 6.694 1.00 0.00 C ATOM 1044 O ASP A 68 6.247 -2.345 5.486 1.00 0.00 O ATOM 1045 CB ASP A 68 4.477 -1.344 8.468 1.00 0.00 C ATOM 1046 CG ASP A 68 4.878 -1.938 9.828 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.075 -3.174 9.900 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.019 -1.164 10.804 1.00 0.00 O ATOM 0 H ASP A 68 4.549 0.180 6.429 1.00 0.00 H new ATOM 0 HA ASP A 68 6.564 -1.041 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.999 -0.376 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.742 -1.991 7.989 1.00 0.00 H new ATOM 1053 N SER A 69 6.054 -3.622 7.302 1.00 0.00 N ATOM 1054 CA SER A 69 6.549 -4.859 6.666 1.00 0.00 C ATOM 1055 C SER A 69 5.655 -5.412 5.528 1.00 0.00 C ATOM 1056 O SER A 69 6.074 -6.306 4.793 1.00 0.00 O ATOM 1057 CB SER A 69 6.769 -5.922 7.755 1.00 0.00 C ATOM 1058 OG SER A 69 7.601 -6.983 7.305 1.00 0.00 O ATOM 0 H SER A 69 5.736 -3.760 8.261 1.00 0.00 H new ATOM 0 HA SER A 69 7.487 -4.603 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.219 -5.455 8.631 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.806 -6.325 8.068 1.00 0.00 H new ATOM 0 HG SER A 69 7.436 -7.147 6.353 1.00 0.00 H new ATOM 1064 N ASN A 70 4.438 -4.876 5.364 1.00 0.00 N ATOM 1065 CA ASN A 70 3.457 -5.229 4.320 1.00 0.00 C ATOM 1066 C ASN A 70 2.382 -4.131 4.111 1.00 0.00 C ATOM 1067 O ASN A 70 1.256 -4.402 3.675 1.00 0.00 O ATOM 1068 CB ASN A 70 2.855 -6.622 4.606 1.00 0.00 C ATOM 1069 CG ASN A 70 2.145 -6.750 5.955 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.696 -5.782 6.560 1.00 0.00 O ATOM 1071 ND2 ASN A 70 2.031 -7.960 6.475 1.00 0.00 N ATOM 0 H ASN A 70 4.090 -4.147 5.986 1.00 0.00 H new ATOM 0 HA ASN A 70 3.983 -5.286 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.147 -6.866 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.653 -7.363 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.571 -8.086 7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.403 -8.767 5.975 1.00 0.00 H new ATOM 1078 N LEU A 71 2.723 -2.881 4.445 1.00 0.00 N ATOM 1079 CA LEU A 71 1.808 -1.738 4.521 1.00 0.00 C ATOM 1080 C LEU A 71 2.542 -0.450 4.124 1.00 0.00 C ATOM 1081 O LEU A 71 3.616 -0.166 4.646 1.00 0.00 O ATOM 1082 CB LEU A 71 1.271 -1.654 5.967 1.00 0.00 C ATOM 1083 CG LEU A 71 0.078 -0.697 6.161 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.231 -1.343 5.686 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.063 -0.315 7.642 1.00 0.00 C ATOM 0 H LEU A 71 3.683 -2.629 4.679 1.00 0.00 H new ATOM 0 HA LEU A 71 0.974 -1.864 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.973 -2.652 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.082 -1.338 6.623 1.00 0.00 H new ATOM 0 HG LEU A 71 0.270 0.196 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.056 -0.646 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.151 -1.591 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.417 -2.252 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.909 0.361 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.228 -1.214 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.848 0.180 7.979 1.00 0.00 H new ATOM 1097 N PHE A 72 1.960 0.336 3.222 1.00 0.00 N ATOM 1098 CA PHE A 72 2.474 1.626 2.763 1.00 0.00 C ATOM 1099 C PHE A 72 1.497 2.736 3.168 1.00 0.00 C ATOM 1100 O PHE A 72 0.287 2.593 2.987 1.00 0.00 O ATOM 1101 CB PHE A 72 2.651 1.559 1.238 1.00 0.00 C ATOM 1102 CG PHE A 72 2.984 2.885 0.586 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.194 3.541 0.890 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.072 3.475 -0.310 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.479 4.791 0.314 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.366 4.718 -0.896 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.561 5.382 -0.574 1.00 0.00 C ATOM 0 H PHE A 72 1.081 0.082 2.772 1.00 0.00 H new ATOM 0 HA PHE A 72 3.438 1.849 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.443 0.846 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.734 1.171 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.902 3.083 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.146 2.972 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.402 5.298 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.673 5.163 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.776 6.347 -1.008 1.00 0.00 H new ATOM 1117 N SER A 73 1.997 3.847 3.712 1.00 0.00 N ATOM 1118 CA SER A 73 1.143 4.954 4.160 1.00 0.00 C ATOM 1119 C SER A 73 1.808 6.330 3.999 1.00 0.00 C ATOM 1120 O SER A 73 3.032 6.465 4.069 1.00 0.00 O ATOM 1121 CB SER A 73 0.697 4.688 5.607 1.00 0.00 C ATOM 1122 OG SER A 73 -0.153 5.699 6.120 1.00 0.00 O ATOM 0 H SER A 73 2.994 4.006 3.854 1.00 0.00 H new ATOM 0 HA SER A 73 0.265 4.992 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.180 3.729 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.578 4.605 6.243 1.00 0.00 H new ATOM 0 HG SER A 73 -0.808 5.954 5.437 1.00 0.00 H new ATOM 1128 N PHE A 74 0.996 7.362 3.755 1.00 0.00 N ATOM 1129 CA PHE A 74 1.457 8.728 3.481 1.00 0.00 C ATOM 1130 C PHE A 74 0.418 9.792 3.846 1.00 0.00 C ATOM 1131 O PHE A 74 -0.784 9.530 3.859 1.00 0.00 O ATOM 1132 CB PHE A 74 1.886 8.858 2.009 1.00 0.00 C ATOM 1133 CG PHE A 74 0.776 8.623 0.996 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.053 9.685 0.581 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.572 7.335 0.470 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.073 9.458 -0.361 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.439 7.110 -0.478 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.264 8.170 -0.890 1.00 0.00 C ATOM 0 H PHE A 74 -0.020 7.271 3.742 1.00 0.00 H new ATOM 0 HA PHE A 74 2.319 8.911 4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.296 9.856 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.691 8.148 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.095 10.675 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.195 6.516 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.708 10.272 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.582 6.122 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.046 7.995 -1.614 1.00 0.00 H new ATOM 1148 N GLU A 75 0.900 11.007 4.114 1.00 0.00 N ATOM 1149 CA GLU A 75 0.094 12.190 4.403 1.00 0.00 C ATOM 1150 C GLU A 75 0.125 13.131 3.191 1.00 0.00 C ATOM 1151 O GLU A 75 1.196 13.463 2.671 1.00 0.00 O ATOM 1152 CB GLU A 75 0.616 12.862 5.689 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.407 13.771 6.402 1.00 0.00 C ATOM 1154 CD GLU A 75 -0.484 15.227 5.908 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.197 15.596 4.928 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -1.200 16.027 6.557 1.00 0.00 O ATOM 0 H GLU A 75 1.902 11.199 4.136 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.947 11.917 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.938 12.086 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.497 13.454 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.395 13.322 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.172 13.782 7.466 1.00 0.00 H new ATOM 1163 N SER A 76 -1.054 13.555 2.736 1.00 0.00 N ATOM 1164 CA SER A 76 -1.198 14.623 1.742 1.00 0.00 C ATOM 1165 C SER A 76 -1.853 15.853 2.387 1.00 0.00 C ATOM 1166 O SER A 76 -2.847 15.732 3.116 1.00 0.00 O ATOM 1167 CB SER A 76 -2.005 14.140 0.532 1.00 0.00 C ATOM 1168 OG SER A 76 -1.859 15.053 -0.548 1.00 0.00 O ATOM 0 H SER A 76 -1.943 13.165 3.048 1.00 0.00 H new ATOM 0 HA SER A 76 -0.207 14.904 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.665 13.150 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.057 14.047 0.800 1.00 0.00 H new ATOM 0 HG SER A 76 -2.719 15.488 -0.727 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.280 17.037 2.133 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.706 18.300 2.738 1.00 0.00 C ATOM 1176 C GLY A 77 -3.029 18.820 2.179 1.00 0.00 C ATOM 1177 O GLY A 77 -3.583 18.290 1.215 1.00 0.00 O ATOM 0 H GLY A 77 -0.495 17.143 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.802 18.165 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.932 19.051 2.579 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.534 19.905 2.777 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.827 20.514 2.416 1.00 0.00 C ATOM 1183 C ARG A 78 -4.940 21.015 0.959 1.00 0.00 C ATOM 1184 O ARG A 78 -6.055 21.170 0.460 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.222 21.581 3.457 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.212 22.728 3.641 1.00 0.00 C ATOM 1187 CD ARG A 78 -4.588 23.586 4.856 1.00 0.00 C ATOM 1188 NE ARG A 78 -3.559 24.607 5.134 1.00 0.00 N ATOM 1189 CZ ARG A 78 -2.621 24.566 6.077 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -2.483 23.539 6.892 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -1.796 25.582 6.215 1.00 0.00 N ATOM 0 H ARG A 78 -3.054 20.393 3.534 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.560 19.708 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.183 22.008 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.368 21.090 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.210 22.320 3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.189 23.347 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.547 24.073 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.714 22.947 5.730 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.568 25.435 4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.108 22.737 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.751 23.546 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.878 26.393 5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.074 25.559 6.935 1.00 0.00 H new ATOM 1205 N ARG A 79 -3.816 21.194 0.246 1.00 0.00 N ATOM 1206 CA ARG A 79 -3.756 21.463 -1.196 1.00 0.00 C ATOM 1207 C ARG A 79 -3.764 20.160 -2.026 1.00 0.00 C ATOM 1208 O ARG A 79 -2.747 19.783 -2.611 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.518 22.324 -1.518 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.483 23.696 -0.827 1.00 0.00 C ATOM 1211 CD ARG A 79 -1.826 23.704 0.561 1.00 0.00 C ATOM 1212 NE ARG A 79 -1.581 25.085 1.022 1.00 0.00 N ATOM 1213 CZ ARG A 79 -0.450 25.776 0.912 1.00 0.00 C ATOM 1214 NH1 ARG A 79 0.633 25.273 0.352 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -0.391 27.009 1.365 1.00 0.00 N ATOM 0 H ARG A 79 -2.892 21.153 0.676 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.652 22.017 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.624 21.768 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.470 22.476 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.950 24.397 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.504 24.065 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.468 23.187 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.884 23.156 0.525 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.363 25.560 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.622 24.322 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.481 25.835 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.211 27.433 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.475 27.542 1.282 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.909 19.473 -2.106 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.095 18.281 -2.961 1.00 0.00 C ATOM 1231 C CYS A 80 -6.571 17.969 -3.289 1.00 0.00 C ATOM 1232 O CYS A 80 -7.494 18.555 -2.718 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.363 17.066 -2.349 1.00 0.00 C ATOM 1234 SG CYS A 80 -5.215 16.499 -0.857 1.00 0.00 S ATOM 0 H CYS A 80 -5.744 19.726 -1.577 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.644 18.512 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.316 16.257 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.335 17.337 -2.107 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.717 17.101 0.182 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.781 17.027 -4.216 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.093 16.616 -4.736 1.00 0.00 C ATOM 1242 C GLN A 81 -8.962 15.884 -3.688 1.00 0.00 C ATOM 1243 O GLN A 81 -10.192 15.927 -3.777 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.836 15.742 -5.982 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.091 15.416 -6.809 1.00 0.00 C ATOM 1246 CD GLN A 81 -8.761 14.549 -8.029 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -8.032 14.939 -8.934 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.268 13.336 -8.109 1.00 0.00 N ATOM 0 H GLN A 81 -6.012 16.509 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.672 17.502 -4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.117 16.251 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.374 14.807 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.816 14.898 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.560 16.343 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.877 12.988 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.051 12.744 -8.911 1.00 0.00 H new ATOM 1257 N THR A 82 -8.341 15.248 -2.683 1.00 0.00 N ATOM 1258 CA THR A 82 -9.007 14.435 -1.645 1.00 0.00 C ATOM 1259 C THR A 82 -9.171 15.147 -0.303 1.00 0.00 C ATOM 1260 O THR A 82 -9.849 14.617 0.580 1.00 0.00 O ATOM 1261 CB THR A 82 -8.231 13.129 -1.429 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.875 13.426 -1.171 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.298 12.219 -2.653 1.00 0.00 C ATOM 0 H THR A 82 -7.329 15.284 -2.563 1.00 0.00 H new ATOM 0 HA THR A 82 -10.012 14.240 -2.019 1.00 0.00 H new ATOM 0 HB THR A 82 -8.687 12.612 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.556 12.876 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.736 11.306 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.338 11.968 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.868 12.733 -3.513 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.553 16.320 -0.131 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.434 17.018 1.154 1.00 0.00 C ATOM 1273 C GLY A 83 -7.362 16.406 2.067 1.00 0.00 C ATOM 1274 O GLY A 83 -6.850 15.312 1.816 1.00 0.00 O ATOM 0 H GLY A 83 -8.111 16.823 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.195 18.066 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.396 16.995 1.665 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.022 17.129 3.137 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.964 16.755 4.083 1.00 0.00 C ATOM 1280 C GLN A 84 -6.262 15.420 4.788 1.00 0.00 C ATOM 1281 O GLN A 84 -7.361 15.224 5.317 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.794 17.887 5.110 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.548 17.721 5.993 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.387 18.902 6.952 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -3.874 19.959 6.601 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -4.836 18.785 8.186 1.00 0.00 N ATOM 0 H GLN A 84 -7.482 18.007 3.376 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.037 16.613 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.734 18.840 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.679 17.928 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.624 16.795 6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.662 17.637 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.265 17.912 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.754 19.568 8.835 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.276 14.515 4.832 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.387 13.234 5.538 1.00 0.00 C ATOM 1297 C GLY A 85 -4.206 12.286 5.342 1.00 0.00 C ATOM 1298 O GLY A 85 -3.357 12.489 4.470 1.00 0.00 O ATOM 0 H GLY A 85 -4.374 14.653 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.502 13.432 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.296 12.731 5.207 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.180 11.228 6.157 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.258 10.087 6.037 1.00 0.00 C ATOM 1304 C ILE A 86 -4.002 8.931 5.357 1.00 0.00 C ATOM 1305 O ILE A 86 -5.082 8.542 5.802 1.00 0.00 O ATOM 1306 CB ILE A 86 -2.689 9.681 7.422 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -1.877 10.839 8.043 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -1.811 8.416 7.311 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -1.418 10.594 9.486 1.00 0.00 C ATOM 0 H ILE A 86 -4.820 11.136 6.946 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.400 10.364 5.425 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.533 9.458 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.000 11.024 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.482 11.745 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.425 8.153 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.409 7.591 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.978 8.609 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.856 11.458 9.841 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.289 10.441 10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.783 9.709 9.520 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.420 8.378 4.295 1.00 0.00 N ATOM 1322 CA PHE A 87 -3.945 7.248 3.527 1.00 0.00 C ATOM 1323 C PHE A 87 -3.055 6.017 3.738 1.00 0.00 C ATOM 1324 O PHE A 87 -1.848 6.156 3.948 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.012 7.640 2.043 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.894 8.841 1.757 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.280 8.669 1.585 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.334 10.133 1.684 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.104 9.782 1.339 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.161 11.247 1.455 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.546 11.072 1.286 1.00 0.00 C ATOM 0 H PHE A 87 -2.531 8.719 3.929 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.949 6.996 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.003 7.851 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.379 6.789 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.712 7.681 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.269 10.267 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.165 9.646 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.732 12.237 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.181 11.928 1.115 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.631 4.811 3.683 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.911 3.563 3.947 1.00 0.00 C ATOM 1343 C ALA A 88 -3.414 2.389 3.103 1.00 0.00 C ATOM 1344 O ALA A 88 -4.623 2.154 2.962 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.980 3.245 5.444 1.00 0.00 C ATOM 0 H ALA A 88 -4.615 4.674 3.453 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.872 3.710 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.445 2.317 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.522 4.056 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.022 3.135 5.745 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.448 1.644 2.565 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.659 0.562 1.610 1.00 0.00 C ATOM 1353 C PHE A 89 -1.801 -0.656 1.953 1.00 0.00 C ATOM 1354 O PHE A 89 -0.624 -0.542 2.288 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.369 1.044 0.181 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.091 2.318 -0.214 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.527 3.573 0.089 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.348 2.250 -0.842 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.230 4.752 -0.212 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.047 3.432 -1.144 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.489 4.683 -0.829 1.00 0.00 C ATOM 0 H PHE A 89 -1.463 1.784 2.792 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.704 0.259 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.296 1.203 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.644 0.254 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.553 3.629 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.776 1.290 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.801 5.713 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.015 3.379 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.028 5.590 -1.061 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.406 -1.838 1.860 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.809 -3.124 2.205 1.00 0.00 C ATOM 1373 C LYS A 90 -1.243 -3.789 0.943 1.00 0.00 C ATOM 1374 O LYS A 90 -1.960 -3.961 -0.049 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.908 -3.939 2.897 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.386 -5.151 3.675 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.587 -5.863 4.308 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.140 -6.996 5.231 1.00 0.00 C ATOM 1379 NZ LYS A 90 -4.317 -7.753 5.734 1.00 0.00 N ATOM 0 H LYS A 90 -3.366 -1.928 1.528 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.962 -3.031 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.453 -3.288 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.620 -4.281 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.849 -5.828 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.682 -4.835 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.182 -5.145 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.230 -6.263 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.471 -7.668 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.577 -6.588 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.011 -8.690 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.754 -7.233 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.010 -7.866 4.967 1.00 0.00 H new ATOM 1393 N CYS A 91 0.049 -4.123 0.970 1.00 0.00 N ATOM 1394 CA CYS A 91 0.833 -4.572 -0.184 1.00 0.00 C ATOM 1395 C CYS A 91 2.223 -5.067 0.254 1.00 0.00 C ATOM 1396 O CYS A 91 2.905 -4.408 1.037 1.00 0.00 O ATOM 1397 CB CYS A 91 0.935 -3.434 -1.226 1.00 0.00 C ATOM 1398 SG CYS A 91 1.592 -1.905 -0.489 1.00 0.00 S ATOM 0 H CYS A 91 0.599 -4.087 1.828 1.00 0.00 H new ATOM 0 HA CYS A 91 0.325 -5.416 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.579 -3.749 -2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -0.050 -3.240 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 91 1.662 -0.980 -1.399 1.00 0.00 H new ATOM 1404 N SER A 92 2.675 -6.205 -0.271 1.00 0.00 N ATOM 1405 CA SER A 92 3.999 -6.765 0.062 1.00 0.00 C ATOM 1406 C SER A 92 5.146 -5.833 -0.373 1.00 0.00 C ATOM 1407 O SER A 92 6.084 -5.585 0.387 1.00 0.00 O ATOM 1408 CB SER A 92 4.138 -8.150 -0.590 1.00 0.00 C ATOM 1409 OG SER A 92 5.331 -8.803 -0.183 1.00 0.00 O ATOM 0 H SER A 92 2.143 -6.767 -0.936 1.00 0.00 H new ATOM 0 HA SER A 92 4.071 -6.862 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.278 -8.765 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.133 -8.044 -1.675 1.00 0.00 H new ATOM 0 HG SER A 92 5.387 -9.681 -0.615 1.00 0.00 H new ATOM 1415 N ARG A 93 5.030 -5.217 -1.559 1.00 0.00 N ATOM 1416 CA ARG A 93 6.076 -4.374 -2.166 1.00 0.00 C ATOM 1417 C ARG A 93 6.096 -2.925 -1.632 1.00 0.00 C ATOM 1418 O ARG A 93 6.692 -2.049 -2.258 1.00 0.00 O ATOM 1419 CB ARG A 93 6.000 -4.441 -3.706 1.00 0.00 C ATOM 1420 CG ARG A 93 5.942 -5.891 -4.226 1.00 0.00 C ATOM 1421 CD ARG A 93 6.193 -6.000 -5.736 1.00 0.00 C ATOM 1422 NE ARG A 93 7.630 -5.928 -6.051 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.477 -6.932 -6.233 1.00 0.00 C ATOM 1424 NH1 ARG A 93 8.119 -8.197 -6.163 1.00 0.00 N ATOM 1425 NH2 ARG A 93 9.729 -6.635 -6.487 1.00 0.00 N ATOM 0 H ARG A 93 4.192 -5.291 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 93 7.035 -4.789 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.118 -3.899 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.868 -3.939 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.683 -6.490 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.965 -6.315 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.785 -6.940 -6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.666 -5.198 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 93 8.022 -4.991 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.150 -8.442 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.811 -8.932 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.021 -5.659 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.410 -7.380 -6.633 1.00 0.00 H new ATOM 1439 N ALA A 94 5.485 -2.663 -0.467 1.00 0.00 N ATOM 1440 CA ALA A 94 5.455 -1.358 0.215 1.00 0.00 C ATOM 1441 C ALA A 94 6.840 -0.688 0.331 1.00 0.00 C ATOM 1442 O ALA A 94 6.954 0.528 0.182 1.00 0.00 O ATOM 1443 CB ALA A 94 4.850 -1.575 1.611 1.00 0.00 C ATOM 0 H ALA A 94 4.977 -3.383 0.048 1.00 0.00 H new ATOM 0 HA ALA A 94 4.852 -0.676 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.814 -0.625 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.841 -1.974 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.466 -2.280 2.169 1.00 0.00 H new ATOM 1449 N GLU A 95 7.887 -1.494 0.536 1.00 0.00 N ATOM 1450 CA GLU A 95 9.287 -1.063 0.575 1.00 0.00 C ATOM 1451 C GLU A 95 9.745 -0.417 -0.740 1.00 0.00 C ATOM 1452 O GLU A 95 10.331 0.665 -0.718 1.00 0.00 O ATOM 1453 CB GLU A 95 10.151 -2.282 0.944 1.00 0.00 C ATOM 1454 CG GLU A 95 11.641 -1.968 1.136 1.00 0.00 C ATOM 1455 CD GLU A 95 12.514 -2.623 0.052 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.677 -2.034 -1.039 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.043 -3.732 0.300 1.00 0.00 O ATOM 0 H GLU A 95 7.779 -2.497 0.684 1.00 0.00 H new ATOM 0 HA GLU A 95 9.399 -0.284 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.764 -2.722 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.049 -3.035 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.789 -0.888 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.961 -2.316 2.118 1.00 0.00 H new ATOM 1464 N GLU A 96 9.436 -1.024 -1.889 1.00 0.00 N ATOM 1465 CA GLU A 96 9.807 -0.463 -3.192 1.00 0.00 C ATOM 1466 C GLU A 96 9.016 0.809 -3.519 1.00 0.00 C ATOM 1467 O GLU A 96 9.570 1.719 -4.132 1.00 0.00 O ATOM 1468 CB GLU A 96 9.603 -1.476 -4.326 1.00 0.00 C ATOM 1469 CG GLU A 96 10.587 -2.646 -4.261 1.00 0.00 C ATOM 1470 CD GLU A 96 10.605 -3.414 -5.587 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.531 -3.892 -6.021 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.687 -3.566 -6.197 1.00 0.00 O ATOM 0 H GLU A 96 8.928 -1.907 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 96 10.865 -0.213 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.584 -1.861 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.712 -0.968 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.587 -2.274 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.307 -3.318 -3.450 1.00 0.00 H new ATOM 1479 N ILE A 97 7.753 0.910 -3.084 1.00 0.00 N ATOM 1480 CA ILE A 97 6.948 2.134 -3.254 1.00 0.00 C ATOM 1481 C ILE A 97 7.587 3.294 -2.478 1.00 0.00 C ATOM 1482 O ILE A 97 7.805 4.365 -3.045 1.00 0.00 O ATOM 1483 CB ILE A 97 5.465 1.920 -2.850 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.821 0.725 -3.592 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.666 3.203 -3.152 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.405 0.375 -3.112 1.00 0.00 C ATOM 0 H ILE A 97 7.261 0.154 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 97 6.940 2.389 -4.314 1.00 0.00 H new ATOM 0 HB ILE A 97 5.441 1.695 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.786 0.950 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.460 -0.150 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.623 3.057 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.083 4.034 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.726 3.427 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.026 -0.473 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.433 0.116 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.749 1.233 -3.258 1.00 0.00 H new ATOM 1498 N PHE A 98 7.952 3.071 -1.211 1.00 0.00 N ATOM 1499 CA PHE A 98 8.624 4.050 -0.356 1.00 0.00 C ATOM 1500 C PHE A 98 9.998 4.477 -0.901 1.00 0.00 C ATOM 1501 O PHE A 98 10.322 5.666 -0.874 1.00 0.00 O ATOM 1502 CB PHE A 98 8.722 3.428 1.041 1.00 0.00 C ATOM 1503 CG PHE A 98 9.543 4.205 2.047 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.948 5.222 2.815 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.898 3.877 2.248 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.708 5.910 3.779 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.653 4.558 3.220 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.059 5.577 3.984 1.00 0.00 C ATOM 0 H PHE A 98 7.783 2.181 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 98 8.047 4.974 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.714 3.308 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.148 2.429 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.909 5.475 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.358 3.101 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.253 6.696 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.689 4.298 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.639 6.104 4.727 1.00 0.00 H new ATOM 1518 N ASN A 99 10.792 3.540 -1.433 1.00 0.00 N ATOM 1519 CA ASN A 99 12.082 3.846 -2.061 1.00 0.00 C ATOM 1520 C ASN A 99 11.921 4.637 -3.371 1.00 0.00 C ATOM 1521 O ASN A 99 12.588 5.657 -3.552 1.00 0.00 O ATOM 1522 CB ASN A 99 12.882 2.559 -2.300 1.00 0.00 C ATOM 1523 CG ASN A 99 13.624 2.117 -1.045 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.727 2.568 -0.761 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.044 1.231 -0.262 1.00 0.00 N ATOM 0 H ASN A 99 10.557 2.547 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 99 12.634 4.483 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.208 1.766 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.596 2.719 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.513 0.916 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.125 0.860 -0.505 1.00 0.00 H new ATOM 1532 N LEU A 100 11.006 4.227 -4.258 1.00 0.00 N ATOM 1533 CA LEU A 100 10.729 4.934 -5.510 1.00 0.00 C ATOM 1534 C LEU A 100 10.203 6.352 -5.246 1.00 0.00 C ATOM 1535 O LEU A 100 10.659 7.294 -5.889 1.00 0.00 O ATOM 1536 CB LEU A 100 9.762 4.077 -6.349 1.00 0.00 C ATOM 1537 CG LEU A 100 9.355 4.687 -7.705 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.561 4.983 -8.611 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.404 3.724 -8.429 1.00 0.00 C ATOM 0 H LEU A 100 10.436 3.392 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 100 11.649 5.070 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.224 3.106 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.860 3.897 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 100 8.864 5.638 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.213 5.411 -9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.225 5.690 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.101 4.058 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.114 4.152 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.907 2.771 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.515 3.564 -7.819 1.00 0.00 H new ATOM 1551 N LEU A 101 9.321 6.532 -4.259 1.00 0.00 N ATOM 1552 CA LEU A 101 8.792 7.840 -3.870 1.00 0.00 C ATOM 1553 C LEU A 101 9.890 8.836 -3.463 1.00 0.00 C ATOM 1554 O LEU A 101 9.867 9.982 -3.913 1.00 0.00 O ATOM 1555 CB LEU A 101 7.768 7.632 -2.741 1.00 0.00 C ATOM 1556 CG LEU A 101 6.981 8.897 -2.358 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.096 9.378 -3.517 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.107 8.583 -1.140 1.00 0.00 C ATOM 0 H LEU A 101 8.950 5.763 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 101 8.307 8.290 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.063 6.858 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.289 7.261 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 101 7.689 9.693 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.554 10.273 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.720 9.607 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.385 8.595 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.543 9.472 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.415 7.778 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.740 8.275 -0.308 1.00 0.00 H new ATOM 1570 N GLN A 102 10.867 8.417 -2.649 1.00 0.00 N ATOM 1571 CA GLN A 102 11.977 9.292 -2.256 1.00 0.00 C ATOM 1572 C GLN A 102 13.028 9.470 -3.361 1.00 0.00 C ATOM 1573 O GLN A 102 13.634 10.536 -3.459 1.00 0.00 O ATOM 1574 CB GLN A 102 12.614 8.828 -0.942 1.00 0.00 C ATOM 1575 CG GLN A 102 13.301 7.462 -0.978 1.00 0.00 C ATOM 1576 CD GLN A 102 13.927 7.124 0.371 1.00 0.00 C ATOM 1577 OE1 GLN A 102 15.078 7.432 0.655 1.00 0.00 O ATOM 1578 NE2 GLN A 102 13.190 6.503 1.268 1.00 0.00 N ATOM 0 H GLN A 102 10.911 7.479 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 102 11.544 10.279 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.347 9.573 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.840 8.804 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.576 6.694 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.071 7.459 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.230 6.240 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.579 6.285 2.185 1.00 0.00 H new ATOM 1587 N ASP A 103 13.210 8.481 -4.240 1.00 0.00 N ATOM 1588 CA ASP A 103 14.061 8.619 -5.428 1.00 0.00 C ATOM 1589 C ASP A 103 13.506 9.656 -6.416 1.00 0.00 C ATOM 1590 O ASP A 103 14.273 10.422 -7.003 1.00 0.00 O ATOM 1591 CB ASP A 103 14.270 7.258 -6.117 1.00 0.00 C ATOM 1592 CG ASP A 103 15.421 6.443 -5.502 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.461 7.048 -5.145 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.305 5.197 -5.437 1.00 0.00 O ATOM 0 H ASP A 103 12.773 7.564 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 103 15.031 8.984 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.348 6.680 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.472 7.420 -7.176 1.00 0.00 H new ATOM 1599 N LEU A 104 12.177 9.740 -6.539 1.00 0.00 N ATOM 1600 CA LEU A 104 11.477 10.759 -7.326 1.00 0.00 C ATOM 1601 C LEU A 104 11.474 12.137 -6.642 1.00 0.00 C ATOM 1602 O LEU A 104 11.392 13.153 -7.335 1.00 0.00 O ATOM 1603 CB LEU A 104 10.051 10.259 -7.619 1.00 0.00 C ATOM 1604 CG LEU A 104 10.009 9.021 -8.541 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.622 8.379 -8.463 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.348 9.371 -9.997 1.00 0.00 C ATOM 0 H LEU A 104 11.543 9.084 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 104 12.012 10.907 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.559 10.017 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.480 11.065 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 104 10.767 8.318 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.589 7.505 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.419 8.076 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.869 9.099 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.306 8.469 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.628 10.098 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.351 9.795 -10.045 1.00 0.00 H new ATOM 1618 N MET A 105 11.633 12.194 -5.313 1.00 0.00 N ATOM 1619 CA MET A 105 11.874 13.447 -4.576 1.00 0.00 C ATOM 1620 C MET A 105 13.292 13.982 -4.816 1.00 0.00 C ATOM 1621 O MET A 105 13.448 15.174 -5.090 1.00 0.00 O ATOM 1622 CB MET A 105 11.636 13.270 -3.064 1.00 0.00 C ATOM 1623 CG MET A 105 10.157 13.243 -2.678 1.00 0.00 C ATOM 1624 SD MET A 105 9.423 14.894 -2.723 1.00 0.00 S ATOM 1625 CE MET A 105 7.887 14.587 -1.834 1.00 0.00 C ATOM 0 H MET A 105 11.598 11.369 -4.714 1.00 0.00 H new ATOM 0 HA MET A 105 11.159 14.175 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.106 12.342 -2.737 1.00 0.00 H new ATOM 0 HB3 MET A 105 12.128 14.082 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.616 12.586 -3.358 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.050 12.824 -1.677 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.441 15.537 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.195 14.046 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.094 13.992 -0.945 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.300 5.518 2.723 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.353 5.753 4.166 1.00 0.00 C ATOM 2021 C PHE A 136 -9.208 6.683 4.604 1.00 0.00 C ATOM 2022 O PHE A 136 -8.049 6.451 4.252 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.305 4.398 4.889 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.722 4.456 6.346 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.797 4.815 7.346 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.052 4.157 6.704 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.207 4.881 8.692 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.456 4.217 8.050 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.531 4.579 9.044 1.00 0.00 C ATOM 0 HA PHE A 136 -11.283 6.255 4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.953 3.696 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.291 4.002 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.774 5.039 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.765 3.880 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.499 5.165 9.456 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.476 3.985 8.319 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.839 4.625 10.078 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.537 7.721 5.385 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.570 8.655 5.982 1.00 0.00 C ATOM 2041 C ARG A 137 -8.300 8.259 7.439 1.00 0.00 C ATOM 2042 O ARG A 137 -9.229 8.178 8.246 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.093 10.103 5.936 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.026 10.796 4.566 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.014 10.252 3.526 1.00 0.00 C ATOM 2046 NE ARG A 137 -10.227 11.231 2.445 1.00 0.00 N ATOM 2047 CZ ARG A 137 -11.149 11.162 1.492 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.886 10.088 1.303 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -11.353 12.195 0.706 1.00 0.00 N ATOM 0 H ARG A 137 -10.504 7.940 5.625 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.647 8.602 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.130 10.106 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.524 10.698 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.213 11.861 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.014 10.698 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.633 9.320 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.965 10.021 4.007 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.606 12.040 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.759 9.271 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.585 10.073 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.804 13.046 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.060 12.146 -0.027 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.032 8.038 7.788 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.575 7.746 9.151 1.00 0.00 C ATOM 2065 C LEU A 138 -6.308 9.041 9.935 1.00 0.00 C ATOM 2066 O LEU A 138 -5.845 10.039 9.376 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.293 6.891 9.097 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.442 5.492 8.472 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.071 4.816 8.421 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.381 4.595 9.284 1.00 0.00 C ATOM 0 H LEU A 138 -6.270 8.057 7.110 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.361 7.194 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.537 7.440 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.914 6.775 10.112 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.862 5.623 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.170 3.825 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.392 5.416 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.673 4.725 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.456 3.619 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.987 4.475 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.369 5.052 9.332 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.565 8.994 11.248 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.287 10.083 12.202 1.00 0.00 C ATOM 2084 C ARG A 139 -4.828 10.115 12.689 1.00 0.00 C ATOM 2085 O ARG A 139 -4.320 11.166 13.084 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.222 9.930 13.411 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.655 10.370 13.069 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.618 10.239 14.255 1.00 0.00 C ATOM 2089 NE ARG A 139 -9.906 8.832 14.592 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.750 8.406 15.527 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.432 9.238 16.288 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -10.927 7.114 15.700 1.00 0.00 N ATOM 0 H ARG A 139 -6.984 8.176 11.692 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.461 11.023 11.677 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.227 8.891 13.740 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -6.845 10.526 14.242 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -8.641 11.406 12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.026 9.769 12.238 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.190 10.738 15.124 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.551 10.752 14.021 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.411 8.118 14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.321 10.245 16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.071 8.875 16.995 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.419 6.447 15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.573 6.779 16.415 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.158 8.964 12.648 1.00 0.00 N ATOM 2107 CA HIS A 140 -2.756 8.744 13.034 1.00 0.00 C ATOM 2108 C HIS A 140 -1.950 8.015 11.935 1.00 0.00 C ATOM 2109 O HIS A 140 -2.522 7.445 11.002 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.734 7.960 14.357 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.200 6.530 14.225 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.404 5.457 13.820 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.469 6.082 14.446 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.215 4.386 13.810 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.461 4.729 14.183 1.00 0.00 N ATOM 0 H HIS A 140 -4.603 8.105 12.325 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.271 9.711 13.166 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -1.720 7.967 14.756 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.365 8.473 15.083 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.315 6.672 14.765 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.908 3.386 13.539 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.259 4.099 14.258 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.617 8.017 12.050 1.00 0.00 N ATOM 2124 CA PHE A 141 0.280 7.317 11.123 1.00 0.00 C ATOM 2125 C PHE A 141 0.431 5.838 11.560 1.00 0.00 C ATOM 2126 O PHE A 141 0.896 5.601 12.680 1.00 0.00 O ATOM 2127 CB PHE A 141 1.628 8.067 11.054 1.00 0.00 C ATOM 2128 CG PHE A 141 2.288 8.046 9.685 1.00 0.00 C ATOM 2129 CD1 PHE A 141 2.504 6.828 9.015 1.00 0.00 C ATOM 2130 CD2 PHE A 141 2.690 9.251 9.075 1.00 0.00 C ATOM 2131 CE1 PHE A 141 3.047 6.812 7.722 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.283 9.230 7.800 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.420 8.015 7.110 1.00 0.00 C ATOM 0 H PHE A 141 -0.126 8.509 12.796 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.136 7.307 10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.469 9.103 11.352 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.312 7.628 11.781 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.250 5.897 9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.543 10.191 9.587 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.177 5.875 7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.633 10.148 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.814 8.008 6.105 1.00 0.00 H new ATOM 2143 N PRO A 142 0.050 4.842 10.726 1.00 0.00 N ATOM 2144 CA PRO A 142 0.067 3.429 11.113 1.00 0.00 C ATOM 2145 C PRO A 142 1.479 2.816 11.102 1.00 0.00 C ATOM 2146 O PRO A 142 1.746 1.895 11.873 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.857 2.732 10.108 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.687 3.571 8.844 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.543 4.987 9.401 1.00 0.00 C ATOM 0 HA PRO A 142 -0.269 3.305 12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.566 1.694 9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.892 2.723 10.450 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.190 3.269 8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.547 3.482 8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.089 5.597 8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.512 5.483 9.460 1.00 0.00 H new ATOM 2157 N CYS A 143 2.390 3.334 10.268 1.00 0.00 N ATOM 2158 CA CYS A 143 3.798 2.934 10.204 1.00 0.00 C ATOM 2159 C CYS A 143 4.624 3.625 11.310 1.00 0.00 C ATOM 2160 O CYS A 143 4.461 4.825 11.555 1.00 0.00 O ATOM 2161 CB CYS A 143 4.350 3.282 8.807 1.00 0.00 C ATOM 2162 SG CYS A 143 3.306 2.578 7.491 1.00 0.00 S ATOM 0 H CYS A 143 2.158 4.067 9.598 1.00 0.00 H new ATOM 0 HA CYS A 143 3.875 1.859 10.370 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.402 4.365 8.693 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.367 2.902 8.710 1.00 0.00 H new ATOM 0 HG CYS A 143 3.800 2.893 6.330 1.00 0.00 H new ATOM 2168 N GLY A 144 5.538 2.885 11.954 1.00 0.00 N ATOM 2169 CA GLY A 144 6.445 3.421 12.989 1.00 0.00 C ATOM 2170 C GLY A 144 7.610 4.243 12.423 1.00 0.00 C ATOM 2171 O GLY A 144 8.151 5.108 13.112 1.00 0.00 O ATOM 0 H GLY A 144 5.673 1.890 11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 144 5.871 4.045 13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 144 6.846 2.592 13.572 1.00 0.00 H new ATOM 2175 N ASN A 145 7.972 4.000 11.160 1.00 0.00 N ATOM 2176 CA ASN A 145 8.903 4.807 10.366 1.00 0.00 C ATOM 2177 C ASN A 145 8.143 5.894 9.575 1.00 0.00 C ATOM 2178 O ASN A 145 7.045 5.652 9.073 1.00 0.00 O ATOM 2179 CB ASN A 145 9.710 3.896 9.415 1.00 0.00 C ATOM 2180 CG ASN A 145 8.856 2.851 8.726 1.00 0.00 C ATOM 2181 OD1 ASN A 145 7.987 3.197 7.951 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.041 1.570 8.980 1.00 0.00 N ATOM 0 H ASN A 145 7.608 3.201 10.641 1.00 0.00 H new ATOM 0 HA ASN A 145 9.598 5.309 11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 145 10.200 4.512 8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.498 3.398 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.454 0.870 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 145 9.771 1.279 9.631 1.00 0.00 H new ATOM 2189 N VAL A 146 8.741 7.082 9.439 1.00 0.00 N ATOM 2190 CA VAL A 146 8.256 8.191 8.613 1.00 0.00 C ATOM 2191 C VAL A 146 9.461 8.991 8.098 1.00 0.00 C ATOM 2192 O VAL A 146 10.376 9.308 8.858 1.00 0.00 O ATOM 2193 CB VAL A 146 7.282 9.113 9.390 1.00 0.00 C ATOM 2194 CG1 VAL A 146 6.880 10.306 8.526 1.00 0.00 C ATOM 2195 CG2 VAL A 146 5.997 8.413 9.848 1.00 0.00 C ATOM 0 H VAL A 146 9.612 7.306 9.921 1.00 0.00 H new ATOM 0 HA VAL A 146 7.696 7.778 7.774 1.00 0.00 H new ATOM 0 HB VAL A 146 7.829 9.426 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.196 10.945 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.769 10.875 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 146 6.388 9.950 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 146 5.367 9.123 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.459 8.035 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.250 7.583 10.507 1.00 0.00 H new ATOM 2205 N ASN A 147 9.431 9.323 6.809 1.00 0.00 N ATOM 2206 CA ASN A 147 10.372 10.190 6.101 1.00 0.00 C ATOM 2207 C ASN A 147 9.621 11.392 5.488 1.00 0.00 C ATOM 2208 O ASN A 147 8.416 11.325 5.237 1.00 0.00 O ATOM 2209 CB ASN A 147 11.097 9.341 5.038 1.00 0.00 C ATOM 2210 CG ASN A 147 12.277 10.044 4.369 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.830 11.014 4.872 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.710 9.558 3.218 1.00 0.00 N ATOM 0 H ASN A 147 8.701 8.971 6.190 1.00 0.00 H new ATOM 0 HA ASN A 147 11.117 10.603 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.453 8.423 5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.379 9.051 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.505 9.991 2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.249 8.750 2.800 1.00 0.00 H new ATOM 2219 N TYR A 148 10.323 12.505 5.268 1.00 0.00 N ATOM 2220 CA TYR A 148 9.767 13.784 4.808 1.00 0.00 C ATOM 2221 C TYR A 148 10.275 14.151 3.401 1.00 0.00 C ATOM 2222 O TYR A 148 11.389 13.783 3.013 1.00 0.00 O ATOM 2223 CB TYR A 148 10.105 14.881 5.833 1.00 0.00 C ATOM 2224 CG TYR A 148 9.341 14.774 7.145 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.719 13.825 8.118 1.00 0.00 C ATOM 2226 CD2 TYR A 148 8.242 15.620 7.394 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.984 13.695 9.312 1.00 0.00 C ATOM 2228 CE2 TYR A 148 7.505 15.501 8.589 1.00 0.00 C ATOM 2229 CZ TYR A 148 7.867 14.528 9.547 1.00 0.00 C ATOM 2230 OH TYR A 148 7.137 14.392 10.691 1.00 0.00 O ATOM 0 H TYR A 148 11.332 12.544 5.410 1.00 0.00 H new ATOM 0 HA TYR A 148 8.684 13.690 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.174 14.846 6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.901 15.854 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 148 10.578 13.194 7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 148 7.963 16.365 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 148 9.274 12.959 10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 148 6.664 16.153 8.772 1.00 0.00 H new ATOM 0 HH TYR A 148 6.563 15.178 10.808 1.00 0.00 H new