USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 22 THR OG1 : rot -77:sc= 0.462 USER MOD Set 1.2: A 23 ASN : amide:sc= -1.02! C(o=-0.56!,f=-2.1!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.119 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.202 USER MOD Single : A 16 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.31) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 27 TYR OH : rot 151:sc= 1.23 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.383 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -150:sc= -0.238 (180deg=-2.36!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -54:sc= 0.255 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -63:sc= 0.604 USER MOD Single : A 65 GLN : amide:sc= -0.0295 K(o=-0.03,f=-0.73) USER MOD Single : A 66 ASN : amide:sc=-0.00988 X(o=-0.0099,f=-0.39) USER MOD Single : A 67 CYS SG : rot 90:sc= 0.327 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.814 USER MOD Single : A 72 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.078) USER MOD Single : A 73 ASN : amide:sc= -1.89 K(o=-1.9,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= -0.0561 (180deg=-1) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.773) USER MOD Single : A 84 SER OG : rot 180:sc=-0.00696 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.064 11.621 1.848 1.00 0.00 N ATOM 185 CA SER A 10 -0.807 10.581 0.858 1.00 0.00 C ATOM 186 C SER A 10 -0.794 9.202 1.509 1.00 0.00 C ATOM 187 O SER A 10 -1.436 8.268 1.028 1.00 0.00 O ATOM 188 CB SER A 10 0.527 10.838 0.153 1.00 0.00 C ATOM 189 OG SER A 10 1.607 10.779 1.069 1.00 0.00 O ATOM 0 HA SER A 10 -1.610 10.608 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.674 10.100 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.506 11.816 -0.327 1.00 0.00 H new ATOM 0 HG SER A 10 2.448 10.945 0.594 1.00 0.00 H new ATOM 195 N THR A 11 -0.056 9.080 2.609 1.00 0.00 N ATOM 196 CA THR A 11 0.043 7.816 3.327 1.00 0.00 C ATOM 197 C THR A 11 -1.338 7.257 3.648 1.00 0.00 C ATOM 198 O THR A 11 -2.252 8.000 4.007 1.00 0.00 O ATOM 199 CB THR A 11 0.838 7.975 4.637 1.00 0.00 C ATOM 200 OG1 THR A 11 2.135 8.513 4.361 1.00 0.00 O ATOM 201 CG2 THR A 11 0.978 6.638 5.350 1.00 0.00 C ATOM 0 H THR A 11 0.482 9.842 3.021 1.00 0.00 H new ATOM 0 HA THR A 11 0.570 7.121 2.673 1.00 0.00 H new ATOM 0 HB THR A 11 0.293 8.660 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.633 8.612 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.543 6.775 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.011 6.246 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.503 5.934 4.704 1.00 0.00 H new ATOM 209 N VAL A 12 -1.484 5.942 3.518 1.00 0.00 N ATOM 210 CA VAL A 12 -2.754 5.282 3.796 1.00 0.00 C ATOM 211 C VAL A 12 -2.604 4.246 4.904 1.00 0.00 C ATOM 212 O VAL A 12 -1.936 3.227 4.729 1.00 0.00 O ATOM 213 CB VAL A 12 -3.317 4.595 2.538 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.608 3.859 2.864 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.539 5.612 1.430 1.00 0.00 C ATOM 0 H VAL A 12 -0.738 5.313 3.222 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.449 6.057 4.119 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.588 3.864 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.991 3.380 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.413 3.101 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.346 4.568 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.937 5.109 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.248 6.368 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.592 6.089 1.179 1.00 0.00 H new ATOM 225 N TYR A 13 -3.230 4.513 6.045 1.00 0.00 N ATOM 226 CA TYR A 13 -3.164 3.604 7.184 1.00 0.00 C ATOM 227 C TYR A 13 -3.918 2.310 6.892 1.00 0.00 C ATOM 228 O TYR A 13 -5.142 2.250 7.011 1.00 0.00 O ATOM 229 CB TYR A 13 -3.742 4.274 8.431 1.00 0.00 C ATOM 230 CG TYR A 13 -3.287 3.638 9.726 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.388 2.267 9.922 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.756 4.410 10.752 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.974 1.682 11.103 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.338 3.834 11.936 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.450 2.469 12.107 1.00 0.00 C ATOM 236 OH TYR A 13 -2.035 1.891 13.285 1.00 0.00 O ATOM 0 H TYR A 13 -3.789 5.351 6.206 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.117 3.361 7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.457 5.326 8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.830 4.238 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.797 1.647 9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.669 5.479 10.622 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.060 0.614 11.239 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.926 4.448 12.723 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.690 2.584 13.886 1.00 0.00 H new ATOM 246 N VAL A 14 -3.177 1.275 6.509 1.00 0.00 N ATOM 247 CA VAL A 14 -3.773 -0.020 6.202 1.00 0.00 C ATOM 248 C VAL A 14 -3.339 -1.078 7.210 1.00 0.00 C ATOM 249 O VAL A 14 -2.147 -1.275 7.444 1.00 0.00 O ATOM 250 CB VAL A 14 -3.393 -0.490 4.785 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.317 -1.609 4.328 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.432 0.676 3.809 1.00 0.00 C ATOM 0 H VAL A 14 -2.163 1.308 6.404 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.854 0.108 6.257 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.375 -0.879 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.034 -1.928 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.234 -2.452 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.346 -1.250 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.161 0.326 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.437 1.097 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.726 1.442 4.129 1.00 0.00 H new ATOM 262 N SER A 15 -4.315 -1.756 7.804 1.00 0.00 N ATOM 263 CA SER A 15 -4.035 -2.793 8.791 1.00 0.00 C ATOM 264 C SER A 15 -4.605 -4.136 8.344 1.00 0.00 C ATOM 265 O SER A 15 -5.342 -4.214 7.363 1.00 0.00 O ATOM 266 CB SER A 15 -4.619 -2.405 10.150 1.00 0.00 C ATOM 267 OG SER A 15 -3.785 -1.473 10.817 1.00 0.00 O ATOM 0 H SER A 15 -5.307 -1.606 7.619 1.00 0.00 H new ATOM 0 HA SER A 15 -2.953 -2.889 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.612 -1.976 10.014 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.738 -3.296 10.766 1.00 0.00 H new ATOM 0 HG SER A 15 -4.182 -1.240 11.682 1.00 0.00 H new ATOM 273 N ASN A 16 -4.257 -5.191 9.074 1.00 0.00 N ATOM 274 CA ASN A 16 -4.733 -6.532 8.753 1.00 0.00 C ATOM 275 C ASN A 16 -4.206 -6.986 7.396 1.00 0.00 C ATOM 276 O ASN A 16 -4.874 -7.730 6.676 1.00 0.00 O ATOM 277 CB ASN A 16 -6.262 -6.567 8.758 1.00 0.00 C ATOM 278 CG ASN A 16 -6.829 -6.927 10.118 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.892 -6.089 11.017 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.243 -8.179 10.273 1.00 0.00 N ATOM 0 H ASN A 16 -3.648 -5.143 9.891 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.358 -7.216 9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.646 -5.593 8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.608 -7.291 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.633 -8.480 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.171 -8.839 9.499 1.00 0.00 H new ATOM 287 N LEU A 17 -3.005 -6.535 7.052 1.00 0.00 N ATOM 288 CA LEU A 17 -2.387 -6.895 5.781 1.00 0.00 C ATOM 289 C LEU A 17 -1.613 -8.204 5.903 1.00 0.00 C ATOM 290 O LEU A 17 -0.978 -8.486 6.919 1.00 0.00 O ATOM 291 CB LEU A 17 -1.453 -5.779 5.311 1.00 0.00 C ATOM 292 CG LEU A 17 -2.131 -4.515 4.780 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.153 -3.350 4.767 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.693 -4.757 3.387 1.00 0.00 C ATOM 0 H LEU A 17 -2.439 -5.919 7.636 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.180 -7.030 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.807 -5.499 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.808 -6.178 4.528 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.957 -4.262 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.653 -2.459 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.798 -3.162 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.306 -3.593 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.172 -3.847 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.884 -5.035 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.426 -5.562 3.425 1.00 0.00 H new ATOM 306 N PRO A 18 -1.664 -9.023 4.842 1.00 0.00 N ATOM 307 CA PRO A 18 -0.971 -10.314 4.804 1.00 0.00 C ATOM 308 C PRO A 18 0.544 -10.158 4.734 1.00 0.00 C ATOM 309 O PRO A 18 1.141 -10.271 3.663 1.00 0.00 O ATOM 310 CB PRO A 18 -1.501 -10.965 3.524 1.00 0.00 C ATOM 311 CG PRO A 18 -1.912 -9.822 2.661 1.00 0.00 C ATOM 312 CD PRO A 18 -2.401 -8.751 3.596 1.00 0.00 C ATOM 0 HA PRO A 18 -1.155 -10.901 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.734 -11.570 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.343 -11.625 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.074 -9.464 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.696 -10.121 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.187 -7.754 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.479 -8.810 3.746 1.00 0.00 H new ATOM 320 N PHE A 19 1.161 -9.897 5.882 1.00 0.00 N ATOM 321 CA PHE A 19 2.607 -9.724 5.950 1.00 0.00 C ATOM 322 C PHE A 19 3.317 -10.709 5.026 1.00 0.00 C ATOM 323 O PHE A 19 4.403 -10.429 4.518 1.00 0.00 O ATOM 324 CB PHE A 19 3.098 -9.912 7.387 1.00 0.00 C ATOM 325 CG PHE A 19 2.413 -11.035 8.112 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.837 -12.344 7.949 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.344 -10.782 8.957 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.209 -13.379 8.615 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.712 -11.813 9.626 1.00 0.00 C ATOM 330 CZ PHE A 19 1.145 -13.114 9.453 1.00 0.00 C ATOM 0 H PHE A 19 0.682 -9.801 6.777 1.00 0.00 H new ATOM 0 HA PHE A 19 2.842 -8.711 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.172 -10.100 7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.943 -8.985 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.668 -12.558 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.001 -9.767 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.551 -14.395 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.119 -11.602 10.283 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.652 -13.922 9.973 1.00 0.00 H new ATOM 340 N SER A 20 2.695 -11.864 4.813 1.00 0.00 N ATOM 341 CA SER A 20 3.269 -12.894 3.953 1.00 0.00 C ATOM 342 C SER A 20 3.928 -12.271 2.726 1.00 0.00 C ATOM 343 O SER A 20 5.022 -12.670 2.325 1.00 0.00 O ATOM 344 CB SER A 20 2.187 -13.885 3.518 1.00 0.00 C ATOM 345 OG SER A 20 2.692 -14.803 2.564 1.00 0.00 O ATOM 0 H SER A 20 1.794 -12.111 5.223 1.00 0.00 H new ATOM 0 HA SER A 20 4.031 -13.426 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.815 -14.427 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.342 -13.343 3.094 1.00 0.00 H new ATOM 0 HG SER A 20 1.983 -15.427 2.303 1.00 0.00 H new ATOM 351 N LEU A 21 3.254 -11.292 2.133 1.00 0.00 N ATOM 352 CA LEU A 21 3.773 -10.613 0.951 1.00 0.00 C ATOM 353 C LEU A 21 4.993 -9.766 1.301 1.00 0.00 C ATOM 354 O LEU A 21 5.446 -9.752 2.446 1.00 0.00 O ATOM 355 CB LEU A 21 2.689 -9.732 0.327 1.00 0.00 C ATOM 356 CG LEU A 21 1.279 -10.322 0.300 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.320 -9.382 -0.413 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.285 -11.689 -0.370 1.00 0.00 C ATOM 0 H LEU A 21 2.347 -10.951 2.451 1.00 0.00 H new ATOM 0 HA LEU A 21 4.075 -11.372 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.656 -8.789 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.983 -9.498 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 21 0.938 -10.445 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.678 -9.819 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.293 -8.425 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.657 -9.227 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.273 -12.094 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.647 -11.591 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.939 -12.363 0.183 1.00 0.00 H new ATOM 370 N THR A 22 5.521 -9.059 0.306 1.00 0.00 N ATOM 371 CA THR A 22 6.688 -8.209 0.509 1.00 0.00 C ATOM 372 C THR A 22 6.436 -6.798 -0.011 1.00 0.00 C ATOM 373 O THR A 22 5.540 -6.577 -0.824 1.00 0.00 O ATOM 374 CB THR A 22 7.932 -8.787 -0.190 1.00 0.00 C ATOM 375 OG1 THR A 22 9.082 -7.993 0.121 1.00 0.00 O ATOM 376 CG2 THR A 22 7.734 -8.833 -1.698 1.00 0.00 C ATOM 0 H THR A 22 5.159 -9.058 -0.648 1.00 0.00 H new ATOM 0 HA THR A 22 6.869 -8.171 1.583 1.00 0.00 H new ATOM 0 HB THR A 22 8.084 -9.804 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.064 -7.170 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.626 -9.245 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.876 -9.462 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.558 -7.825 -2.073 1.00 0.00 H new ATOM 384 N ASN A 23 7.235 -5.847 0.462 1.00 0.00 N ATOM 385 CA ASN A 23 7.099 -4.456 0.044 1.00 0.00 C ATOM 386 C ASN A 23 6.660 -4.367 -1.414 1.00 0.00 C ATOM 387 O ASN A 23 5.683 -3.693 -1.739 1.00 0.00 O ATOM 388 CB ASN A 23 8.421 -3.712 0.237 1.00 0.00 C ATOM 389 CG ASN A 23 9.531 -4.271 -0.632 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.942 -5.421 -0.471 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.022 -3.458 -1.561 1.00 0.00 N ATOM 0 H ASN A 23 7.983 -6.014 1.135 1.00 0.00 H new ATOM 0 HA ASN A 23 6.334 -3.989 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.278 -2.657 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.718 -3.771 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.770 -3.779 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.651 -2.513 -1.659 1.00 0.00 H new ATOM 398 N ASN A 24 7.389 -5.053 -2.289 1.00 0.00 N ATOM 399 CA ASN A 24 7.075 -5.052 -3.713 1.00 0.00 C ATOM 400 C ASN A 24 5.609 -5.404 -3.947 1.00 0.00 C ATOM 401 O ASN A 24 4.883 -4.671 -4.620 1.00 0.00 O ATOM 402 CB ASN A 24 7.974 -6.042 -4.456 1.00 0.00 C ATOM 403 CG ASN A 24 8.108 -5.709 -5.929 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.395 -6.259 -6.769 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.025 -4.804 -6.250 1.00 0.00 N ATOM 0 H ASN A 24 8.201 -5.616 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 24 7.255 -4.049 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.962 -6.047 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.568 -7.048 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.161 -4.539 -7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.594 -4.374 -5.521 1.00 0.00 H new ATOM 412 N ASP A 25 5.180 -6.530 -3.388 1.00 0.00 N ATOM 413 CA ASP A 25 3.800 -6.979 -3.534 1.00 0.00 C ATOM 414 C ASP A 25 2.825 -5.848 -3.224 1.00 0.00 C ATOM 415 O ASP A 25 2.059 -5.420 -4.089 1.00 0.00 O ATOM 416 CB ASP A 25 3.529 -8.170 -2.613 1.00 0.00 C ATOM 417 CG ASP A 25 4.079 -9.469 -3.169 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.090 -9.420 -3.901 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.500 -10.534 -2.870 1.00 0.00 O ATOM 0 H ASP A 25 5.768 -7.149 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 25 3.652 -7.289 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.974 -7.979 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.454 -8.270 -2.460 1.00 0.00 H new ATOM 424 N LEU A 26 2.857 -5.369 -1.986 1.00 0.00 N ATOM 425 CA LEU A 26 1.975 -4.287 -1.561 1.00 0.00 C ATOM 426 C LEU A 26 1.964 -3.159 -2.586 1.00 0.00 C ATOM 427 O LEU A 26 0.902 -2.708 -3.018 1.00 0.00 O ATOM 428 CB LEU A 26 2.415 -3.749 -0.198 1.00 0.00 C ATOM 429 CG LEU A 26 2.209 -4.687 0.992 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.666 -4.022 2.281 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.750 -5.107 1.094 1.00 0.00 C ATOM 0 H LEU A 26 3.484 -5.712 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 26 0.964 -4.687 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.473 -3.494 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.874 -2.823 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 26 2.813 -5.581 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.512 -4.704 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.725 -3.773 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.090 -3.111 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.622 -5.774 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.126 -4.224 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.456 -5.624 0.181 1.00 0.00 H new ATOM 443 N TYR A 27 3.151 -2.708 -2.975 1.00 0.00 N ATOM 444 CA TYR A 27 3.279 -1.631 -3.950 1.00 0.00 C ATOM 445 C TYR A 27 2.349 -1.860 -5.138 1.00 0.00 C ATOM 446 O TYR A 27 1.570 -0.981 -5.509 1.00 0.00 O ATOM 447 CB TYR A 27 4.725 -1.522 -4.434 1.00 0.00 C ATOM 448 CG TYR A 27 4.940 -0.430 -5.458 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.395 -0.529 -6.733 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.689 0.699 -5.152 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.590 0.465 -7.672 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.887 1.699 -6.084 1.00 0.00 C ATOM 453 CZ TYR A 27 5.336 1.577 -7.342 1.00 0.00 C ATOM 454 OH TYR A 27 5.532 2.571 -8.274 1.00 0.00 O ATOM 0 H TYR A 27 4.039 -3.072 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 27 2.995 -0.698 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.373 -1.338 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.028 -2.477 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.809 -1.398 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.124 0.797 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.161 0.372 -8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.470 2.572 -5.829 1.00 0.00 H new ATOM 0 HH TYR A 27 5.641 3.431 -7.817 1.00 0.00 H new ATOM 464 N ARG A 28 2.436 -3.046 -5.730 1.00 0.00 N ATOM 465 CA ARG A 28 1.603 -3.392 -6.875 1.00 0.00 C ATOM 466 C ARG A 28 0.138 -3.512 -6.467 1.00 0.00 C ATOM 467 O ARG A 28 -0.726 -2.823 -7.009 1.00 0.00 O ATOM 468 CB ARG A 28 2.079 -4.704 -7.501 1.00 0.00 C ATOM 469 CG ARG A 28 3.446 -4.606 -8.158 1.00 0.00 C ATOM 470 CD ARG A 28 4.121 -5.966 -8.245 1.00 0.00 C ATOM 471 NE ARG A 28 3.752 -6.684 -9.461 1.00 0.00 N ATOM 472 CZ ARG A 28 3.756 -8.009 -9.562 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.108 -8.755 -8.524 1.00 0.00 N ATOM 474 NH2 ARG A 28 3.406 -8.590 -10.703 1.00 0.00 N ATOM 0 H ARG A 28 3.075 -3.784 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 28 1.692 -2.593 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.110 -5.474 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.350 -5.027 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.341 -4.186 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.076 -3.922 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.203 -5.836 -8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.847 -6.563 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 28 3.476 -6.139 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.377 -8.312 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.110 -9.772 -8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.134 -8.019 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.409 -9.607 -10.779 1.00 0.00 H new ATOM 488 N ILE A 29 -0.133 -4.391 -5.508 1.00 0.00 N ATOM 489 CA ILE A 29 -1.493 -4.600 -5.027 1.00 0.00 C ATOM 490 C ILE A 29 -2.251 -3.281 -4.931 1.00 0.00 C ATOM 491 O ILE A 29 -3.360 -3.150 -5.450 1.00 0.00 O ATOM 492 CB ILE A 29 -1.503 -5.287 -3.648 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.837 -6.662 -3.734 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.927 -5.414 -3.130 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.507 -7.259 -2.384 1.00 0.00 C ATOM 0 H ILE A 29 0.571 -4.969 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.987 -5.248 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.936 -4.673 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.496 -7.343 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.079 -6.577 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.917 -5.901 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.370 -4.422 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.516 -6.010 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.038 -8.233 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.177 -6.598 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.423 -7.376 -1.804 1.00 0.00 H new ATOM 507 N PHE A 30 -1.646 -2.304 -4.264 1.00 0.00 N ATOM 508 CA PHE A 30 -2.263 -0.993 -4.100 1.00 0.00 C ATOM 509 C PHE A 30 -2.224 -0.206 -5.407 1.00 0.00 C ATOM 510 O PHE A 30 -3.054 0.672 -5.640 1.00 0.00 O ATOM 511 CB PHE A 30 -1.554 -0.206 -2.996 1.00 0.00 C ATOM 512 CG PHE A 30 -1.981 -0.599 -1.611 1.00 0.00 C ATOM 513 CD1 PHE A 30 -1.350 -1.637 -0.945 1.00 0.00 C ATOM 514 CD2 PHE A 30 -3.014 0.071 -0.974 1.00 0.00 C ATOM 515 CE1 PHE A 30 -1.741 -2.001 0.330 1.00 0.00 C ATOM 516 CE2 PHE A 30 -3.408 -0.288 0.301 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.772 -1.326 0.953 1.00 0.00 C ATOM 0 H PHE A 30 -0.728 -2.395 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.305 -1.143 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.478 -0.352 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.746 0.858 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.543 -2.168 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.516 0.882 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.241 -2.812 0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.213 0.243 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.080 -1.609 1.948 1.00 0.00 H new ATOM 527 N SER A 31 -1.253 -0.528 -6.255 1.00 0.00 N ATOM 528 CA SER A 31 -1.102 0.151 -7.537 1.00 0.00 C ATOM 529 C SER A 31 -2.420 0.161 -8.305 1.00 0.00 C ATOM 530 O SER A 31 -2.735 1.121 -9.009 1.00 0.00 O ATOM 531 CB SER A 31 -0.016 -0.529 -8.373 1.00 0.00 C ATOM 532 OG SER A 31 0.335 0.264 -9.494 1.00 0.00 O ATOM 0 H SER A 31 -0.559 -1.254 -6.078 1.00 0.00 H new ATOM 0 HA SER A 31 -0.808 1.182 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.866 -0.704 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.368 -1.504 -8.709 1.00 0.00 H new ATOM 0 HG SER A 31 1.032 -0.191 -10.011 1.00 0.00 H new ATOM 538 N LYS A 32 -3.187 -0.915 -8.166 1.00 0.00 N ATOM 539 CA LYS A 32 -4.472 -1.033 -8.844 1.00 0.00 C ATOM 540 C LYS A 32 -5.299 0.237 -8.668 1.00 0.00 C ATOM 541 O LYS A 32 -6.221 0.502 -9.440 1.00 0.00 O ATOM 542 CB LYS A 32 -5.248 -2.237 -8.307 1.00 0.00 C ATOM 543 CG LYS A 32 -5.771 -2.043 -6.894 1.00 0.00 C ATOM 544 CD LYS A 32 -6.467 -3.292 -6.380 1.00 0.00 C ATOM 545 CE LYS A 32 -6.336 -3.423 -4.871 1.00 0.00 C ATOM 546 NZ LYS A 32 -6.325 -4.847 -4.436 1.00 0.00 N ATOM 0 H LYS A 32 -2.940 -1.719 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.280 -1.177 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.088 -2.443 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.602 -3.114 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.944 -1.787 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.466 -1.204 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.522 -3.260 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.040 -4.172 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.418 -2.936 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.163 -2.902 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.234 -4.893 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.212 -5.306 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.521 -5.338 -4.876 1.00 0.00 H new ATOM 560 N TYR A 33 -4.962 1.020 -7.648 1.00 0.00 N ATOM 561 CA TYR A 33 -5.674 2.261 -7.370 1.00 0.00 C ATOM 562 C TYR A 33 -4.877 3.467 -7.858 1.00 0.00 C ATOM 563 O TYR A 33 -5.340 4.231 -8.705 1.00 0.00 O ATOM 564 CB TYR A 33 -5.950 2.391 -5.872 1.00 0.00 C ATOM 565 CG TYR A 33 -6.785 1.262 -5.310 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.096 1.069 -5.724 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.261 0.389 -4.364 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.863 0.040 -5.213 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.020 -0.644 -3.849 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.320 -0.814 -4.276 1.00 0.00 C ATOM 571 OH TYR A 33 -9.080 -1.842 -3.765 1.00 0.00 O ATOM 0 H TYR A 33 -4.200 0.817 -7.001 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.623 2.234 -7.906 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.000 2.430 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.460 3.336 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.524 1.735 -6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.244 0.520 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.882 -0.095 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.597 -1.315 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.730 -2.134 -4.438 1.00 0.00 H new ATOM 581 N GLY A 34 -3.673 3.631 -7.317 1.00 0.00 N ATOM 582 CA GLY A 34 -2.829 4.745 -7.709 1.00 0.00 C ATOM 583 C GLY A 34 -1.353 4.416 -7.612 1.00 0.00 C ATOM 584 O GLY A 34 -0.936 3.644 -6.748 1.00 0.00 O ATOM 0 H GLY A 34 -3.267 3.012 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.067 5.035 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.049 5.604 -7.075 1.00 0.00 H new ATOM 588 N LYS A 35 -0.559 5.000 -8.503 1.00 0.00 N ATOM 589 CA LYS A 35 0.880 4.765 -8.515 1.00 0.00 C ATOM 590 C LYS A 35 1.470 4.923 -7.117 1.00 0.00 C ATOM 591 O LYS A 35 1.140 5.865 -6.396 1.00 0.00 O ATOM 592 CB LYS A 35 1.567 5.733 -9.482 1.00 0.00 C ATOM 593 CG LYS A 35 3.074 5.554 -9.553 1.00 0.00 C ATOM 594 CD LYS A 35 3.704 6.517 -10.546 1.00 0.00 C ATOM 595 CE LYS A 35 3.625 5.983 -11.967 1.00 0.00 C ATOM 596 NZ LYS A 35 4.075 6.992 -12.965 1.00 0.00 N ATOM 0 H LYS A 35 -0.888 5.640 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 35 1.053 3.742 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.146 5.598 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.345 6.756 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.507 5.713 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.306 4.529 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.199 7.481 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.747 6.687 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.241 5.088 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.599 5.687 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.006 6.589 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.472 7.837 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.062 7.256 -12.771 1.00 0.00 H new ATOM 610 N VAL A 36 2.344 3.996 -6.740 1.00 0.00 N ATOM 611 CA VAL A 36 2.982 4.034 -5.430 1.00 0.00 C ATOM 612 C VAL A 36 4.393 4.605 -5.521 1.00 0.00 C ATOM 613 O VAL A 36 5.132 4.314 -6.461 1.00 0.00 O ATOM 614 CB VAL A 36 3.048 2.631 -4.797 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.834 2.669 -3.496 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.647 2.085 -4.567 1.00 0.00 C ATOM 0 H VAL A 36 2.627 3.209 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 36 2.372 4.681 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 36 3.565 1.964 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.870 1.669 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.848 3.016 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.348 3.350 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.712 1.093 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.103 2.751 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.121 2.019 -5.520 1.00 0.00 H new ATOM 626 N VAL A 37 4.760 5.419 -4.537 1.00 0.00 N ATOM 627 CA VAL A 37 6.083 6.031 -4.505 1.00 0.00 C ATOM 628 C VAL A 37 6.977 5.352 -3.473 1.00 0.00 C ATOM 629 O VAL A 37 8.151 5.085 -3.732 1.00 0.00 O ATOM 630 CB VAL A 37 5.999 7.535 -4.184 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.392 8.130 -4.045 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.203 8.264 -5.255 1.00 0.00 C ATOM 0 H VAL A 37 4.160 5.670 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 37 6.515 5.903 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 37 5.481 7.658 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.313 9.193 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.924 7.626 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.939 7.998 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.154 9.325 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.690 8.135 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.194 7.855 -5.300 1.00 0.00 H new ATOM 642 N LYS A 38 6.415 5.073 -2.302 1.00 0.00 N ATOM 643 CA LYS A 38 7.159 4.423 -1.230 1.00 0.00 C ATOM 644 C LYS A 38 6.232 3.587 -0.353 1.00 0.00 C ATOM 645 O LYS A 38 5.096 3.979 -0.084 1.00 0.00 O ATOM 646 CB LYS A 38 7.881 5.468 -0.376 1.00 0.00 C ATOM 647 CG LYS A 38 9.154 5.999 -1.013 1.00 0.00 C ATOM 648 CD LYS A 38 10.128 6.513 0.034 1.00 0.00 C ATOM 649 CE LYS A 38 10.775 5.371 0.802 1.00 0.00 C ATOM 650 NZ LYS A 38 11.944 5.832 1.601 1.00 0.00 N ATOM 0 H LYS A 38 5.445 5.287 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 38 7.896 3.761 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.204 6.301 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.124 5.029 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.628 5.209 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.907 6.802 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.900 7.112 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.604 7.169 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.039 4.916 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.095 4.598 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.357 5.024 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.658 6.243 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.635 6.551 2.286 1.00 0.00 H new ATOM 664 N VAL A 39 6.724 2.435 0.091 1.00 0.00 N ATOM 665 CA VAL A 39 5.941 1.546 0.940 1.00 0.00 C ATOM 666 C VAL A 39 6.409 1.615 2.389 1.00 0.00 C ATOM 667 O VAL A 39 7.609 1.650 2.665 1.00 0.00 O ATOM 668 CB VAL A 39 6.026 0.087 0.453 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.216 -0.827 1.360 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.552 -0.023 -0.988 1.00 0.00 C ATOM 0 H VAL A 39 7.662 2.096 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 39 4.906 1.882 0.880 1.00 0.00 H new ATOM 0 HB VAL A 39 7.068 -0.230 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.288 -1.853 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.607 -0.770 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.172 -0.513 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.619 -1.061 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.517 0.313 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.179 0.600 -1.626 1.00 0.00 H new ATOM 680 N THR A 40 5.454 1.635 3.313 1.00 0.00 N ATOM 681 CA THR A 40 5.768 1.701 4.735 1.00 0.00 C ATOM 682 C THR A 40 5.083 0.576 5.502 1.00 0.00 C ATOM 683 O THR A 40 3.932 0.235 5.227 1.00 0.00 O ATOM 684 CB THR A 40 5.346 3.052 5.342 1.00 0.00 C ATOM 685 OG1 THR A 40 6.074 4.117 4.720 1.00 0.00 O ATOM 686 CG2 THR A 40 5.591 3.072 6.843 1.00 0.00 C ATOM 0 H THR A 40 4.456 1.606 3.102 1.00 0.00 H new ATOM 0 HA THR A 40 6.849 1.593 4.825 1.00 0.00 H new ATOM 0 HB THR A 40 4.279 3.188 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.799 4.973 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.285 4.036 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.012 2.279 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.651 2.915 7.041 1.00 0.00 H new ATOM 694 N ILE A 41 5.796 0.003 6.466 1.00 0.00 N ATOM 695 CA ILE A 41 5.255 -1.082 7.274 1.00 0.00 C ATOM 696 C ILE A 41 5.643 -0.923 8.740 1.00 0.00 C ATOM 697 O ILE A 41 6.764 -0.525 9.056 1.00 0.00 O ATOM 698 CB ILE A 41 5.741 -2.455 6.772 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.301 -2.677 5.323 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.212 -3.565 7.668 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.954 -3.876 4.671 1.00 0.00 C ATOM 0 H ILE A 41 6.750 0.273 6.706 1.00 0.00 H new ATOM 0 HA ILE A 41 4.170 -1.033 7.181 1.00 0.00 H new ATOM 0 HB ILE A 41 6.830 -2.474 6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.219 -2.803 5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.533 -1.785 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.564 -4.529 7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.570 -3.413 8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.122 -3.550 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.596 -3.973 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.036 -3.743 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.701 -4.777 5.230 1.00 0.00 H new ATOM 713 N MET A 42 4.710 -1.239 9.632 1.00 0.00 N ATOM 714 CA MET A 42 4.956 -1.134 11.065 1.00 0.00 C ATOM 715 C MET A 42 5.846 -2.275 11.549 1.00 0.00 C ATOM 716 O MET A 42 6.017 -3.279 10.857 1.00 0.00 O ATOM 717 CB MET A 42 3.633 -1.142 11.833 1.00 0.00 C ATOM 718 CG MET A 42 2.910 0.195 11.813 1.00 0.00 C ATOM 719 SD MET A 42 3.480 1.312 13.108 1.00 0.00 S ATOM 720 CE MET A 42 3.624 2.845 12.193 1.00 0.00 C ATOM 0 H MET A 42 3.777 -1.570 9.387 1.00 0.00 H new ATOM 0 HA MET A 42 5.470 -0.191 11.252 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.981 -1.905 11.408 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.825 -1.427 12.868 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.055 0.667 10.841 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.839 0.026 11.929 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.413 3.457 12.630 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.868 2.627 11.153 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.679 3.386 12.238 1.00 0.00 H new ATOM 730 N LYS A 43 6.410 -2.114 12.741 1.00 0.00 N ATOM 731 CA LYS A 43 7.282 -3.131 13.319 1.00 0.00 C ATOM 732 C LYS A 43 7.198 -3.117 14.842 1.00 0.00 C ATOM 733 O LYS A 43 7.654 -2.175 15.489 1.00 0.00 O ATOM 734 CB LYS A 43 8.728 -2.904 12.874 1.00 0.00 C ATOM 735 CG LYS A 43 9.076 -3.585 11.562 1.00 0.00 C ATOM 736 CD LYS A 43 8.851 -2.660 10.377 1.00 0.00 C ATOM 737 CE LYS A 43 8.698 -3.442 9.082 1.00 0.00 C ATOM 738 NZ LYS A 43 9.975 -4.087 8.668 1.00 0.00 N ATOM 0 H LYS A 43 6.279 -1.289 13.326 1.00 0.00 H new ATOM 0 HA LYS A 43 6.948 -4.106 12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.905 -1.833 12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.400 -3.268 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.118 -3.905 11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.469 -4.483 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.958 -2.058 10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.689 -1.969 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.930 -4.205 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.357 -2.773 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.828 -4.610 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.702 -3.357 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.288 -4.745 9.410 1.00 0.00 H new ATOM 752 N ASP A 44 6.615 -4.168 15.407 1.00 0.00 N ATOM 753 CA ASP A 44 6.475 -4.278 16.854 1.00 0.00 C ATOM 754 C ASP A 44 7.820 -4.083 17.547 1.00 0.00 C ATOM 755 O ASP A 44 8.851 -3.928 16.893 1.00 0.00 O ATOM 756 CB ASP A 44 5.887 -5.640 17.229 1.00 0.00 C ATOM 757 CG ASP A 44 5.289 -5.649 18.623 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.331 -4.885 18.862 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.781 -6.419 19.474 1.00 0.00 O ATOM 0 H ASP A 44 6.232 -4.956 14.885 1.00 0.00 H new ATOM 0 HA ASP A 44 5.797 -3.493 17.189 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.119 -5.912 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.667 -6.399 17.167 1.00 0.00 H new ATOM 764 N LYS A 45 7.801 -4.090 18.876 1.00 0.00 N ATOM 765 CA LYS A 45 9.019 -3.914 19.659 1.00 0.00 C ATOM 766 C LYS A 45 9.570 -5.260 20.118 1.00 0.00 C ATOM 767 O LYS A 45 10.687 -5.637 19.763 1.00 0.00 O ATOM 768 CB LYS A 45 8.744 -3.022 20.872 1.00 0.00 C ATOM 769 CG LYS A 45 8.845 -1.537 20.571 1.00 0.00 C ATOM 770 CD LYS A 45 7.920 -0.724 21.461 1.00 0.00 C ATOM 771 CE LYS A 45 8.419 0.703 21.628 1.00 0.00 C ATOM 772 NZ LYS A 45 7.955 1.307 22.908 1.00 0.00 N ATOM 0 H LYS A 45 6.956 -4.216 19.433 1.00 0.00 H new ATOM 0 HA LYS A 45 9.764 -3.435 19.024 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.746 -3.240 21.254 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.450 -3.272 21.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.873 -1.205 20.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.595 -1.359 19.525 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.918 -0.712 21.032 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.843 -1.200 22.438 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.508 0.713 21.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.070 1.310 20.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.316 2.279 22.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.915 1.321 22.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.309 0.743 23.707 1.00 0.00 H new ATOM 786 N ASP A 46 8.780 -5.979 20.907 1.00 0.00 N ATOM 787 CA ASP A 46 9.188 -7.285 21.412 1.00 0.00 C ATOM 788 C ASP A 46 9.318 -8.292 20.274 1.00 0.00 C ATOM 789 O ASP A 46 10.424 -8.691 19.906 1.00 0.00 O ATOM 790 CB ASP A 46 8.182 -7.793 22.446 1.00 0.00 C ATOM 791 CG ASP A 46 8.107 -6.899 23.669 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.945 -5.673 23.499 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.209 -7.427 24.796 1.00 0.00 O ATOM 0 H ASP A 46 7.853 -5.680 21.211 1.00 0.00 H new ATOM 0 HA ASP A 46 10.162 -7.174 21.888 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.196 -7.859 21.987 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.459 -8.801 22.753 1.00 0.00 H new ATOM 798 N THR A 47 8.181 -8.701 19.719 1.00 0.00 N ATOM 799 CA THR A 47 8.168 -9.663 18.625 1.00 0.00 C ATOM 800 C THR A 47 8.804 -9.077 17.369 1.00 0.00 C ATOM 801 O THR A 47 9.343 -9.805 16.537 1.00 0.00 O ATOM 802 CB THR A 47 6.734 -10.119 18.295 1.00 0.00 C ATOM 803 OG1 THR A 47 5.963 -9.008 17.822 1.00 0.00 O ATOM 804 CG2 THR A 47 6.063 -10.723 19.519 1.00 0.00 C ATOM 0 H THR A 47 7.257 -8.380 20.010 1.00 0.00 H new ATOM 0 HA THR A 47 8.749 -10.524 18.955 1.00 0.00 H new ATOM 0 HB THR A 47 6.789 -10.881 17.517 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.002 -8.280 18.477 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.052 -11.038 19.261 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.636 -11.586 19.859 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.020 -9.979 20.315 1.00 0.00 H new ATOM 812 N ARG A 48 8.737 -7.755 17.240 1.00 0.00 N ATOM 813 CA ARG A 48 9.307 -7.071 16.085 1.00 0.00 C ATOM 814 C ARG A 48 8.676 -7.574 14.790 1.00 0.00 C ATOM 815 O ARG A 48 9.376 -7.894 13.829 1.00 0.00 O ATOM 816 CB ARG A 48 10.822 -7.276 16.040 1.00 0.00 C ATOM 817 CG ARG A 48 11.555 -6.221 15.229 1.00 0.00 C ATOM 818 CD ARG A 48 13.059 -6.304 15.438 1.00 0.00 C ATOM 819 NE ARG A 48 13.654 -7.416 14.701 1.00 0.00 N ATOM 820 CZ ARG A 48 14.809 -7.983 15.033 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.489 -7.544 16.083 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.285 -8.991 14.314 1.00 0.00 N ATOM 0 H ARG A 48 8.294 -7.137 17.920 1.00 0.00 H new ATOM 0 HA ARG A 48 9.095 -6.006 16.183 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.211 -7.274 17.058 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.035 -8.259 15.619 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.326 -6.349 14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.201 -5.230 15.514 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.521 -5.370 15.120 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.271 -6.419 16.501 1.00 0.00 H new ATOM 0 HE ARG A 48 13.156 -7.777 13.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.126 -6.769 16.638 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.375 -7.981 16.336 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.764 -9.331 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.172 -9.426 14.569 1.00 0.00 H new ATOM 836 N LYS A 49 7.349 -7.642 14.772 1.00 0.00 N ATOM 837 CA LYS A 49 6.622 -8.104 13.595 1.00 0.00 C ATOM 838 C LYS A 49 5.704 -7.011 13.058 1.00 0.00 C ATOM 839 O LYS A 49 5.301 -6.110 13.793 1.00 0.00 O ATOM 840 CB LYS A 49 5.804 -9.352 13.934 1.00 0.00 C ATOM 841 CG LYS A 49 6.635 -10.487 14.508 1.00 0.00 C ATOM 842 CD LYS A 49 7.628 -11.022 13.489 1.00 0.00 C ATOM 843 CE LYS A 49 6.937 -11.861 12.425 1.00 0.00 C ATOM 844 NZ LYS A 49 6.634 -13.235 12.913 1.00 0.00 N ATOM 0 H LYS A 49 6.755 -7.383 15.560 1.00 0.00 H new ATOM 0 HA LYS A 49 7.350 -8.353 12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.027 -9.084 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.300 -9.702 13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.171 -10.137 15.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.977 -11.293 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.149 -10.190 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.382 -11.624 13.996 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.012 -11.371 12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.572 -11.921 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.164 -13.775 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.519 -13.712 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.008 -13.179 13.741 1.00 0.00 H new ATOM 858 N SER A 50 5.375 -7.099 11.774 1.00 0.00 N ATOM 859 CA SER A 50 4.505 -6.116 11.138 1.00 0.00 C ATOM 860 C SER A 50 3.109 -6.148 11.754 1.00 0.00 C ATOM 861 O SER A 50 2.470 -5.110 11.927 1.00 0.00 O ATOM 862 CB SER A 50 4.417 -6.379 9.634 1.00 0.00 C ATOM 863 OG SER A 50 3.259 -5.780 9.078 1.00 0.00 O ATOM 0 H SER A 50 5.698 -7.841 11.153 1.00 0.00 H new ATOM 0 HA SER A 50 4.934 -5.127 11.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.306 -5.986 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.399 -7.453 9.450 1.00 0.00 H new ATOM 0 HG SER A 50 3.227 -5.961 8.115 1.00 0.00 H new ATOM 869 N LYS A 51 2.641 -7.347 12.082 1.00 0.00 N ATOM 870 CA LYS A 51 1.322 -7.517 12.680 1.00 0.00 C ATOM 871 C LYS A 51 0.228 -7.056 11.722 1.00 0.00 C ATOM 872 O LYS A 51 -0.865 -6.684 12.147 1.00 0.00 O ATOM 873 CB LYS A 51 1.229 -6.735 13.992 1.00 0.00 C ATOM 874 CG LYS A 51 2.145 -7.266 15.082 1.00 0.00 C ATOM 875 CD LYS A 51 1.923 -6.540 16.398 1.00 0.00 C ATOM 876 CE LYS A 51 0.576 -6.896 17.010 1.00 0.00 C ATOM 877 NZ LYS A 51 0.559 -6.670 18.482 1.00 0.00 N ATOM 0 H LYS A 51 3.156 -8.217 11.944 1.00 0.00 H new ATOM 0 HA LYS A 51 1.178 -8.578 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.473 -5.690 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.199 -6.762 14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.968 -8.333 15.219 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.184 -7.152 14.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.720 -6.797 17.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.977 -5.464 16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.205 -6.298 16.542 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.346 -7.941 16.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.375 -6.924 18.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.288 -7.260 18.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.753 -5.668 18.682 1.00 0.00 H new ATOM 891 N GLY A 52 0.530 -7.084 10.428 1.00 0.00 N ATOM 892 CA GLY A 52 -0.439 -6.668 9.431 1.00 0.00 C ATOM 893 C GLY A 52 -0.490 -5.162 9.265 1.00 0.00 C ATOM 894 O GLY A 52 -0.710 -4.658 8.164 1.00 0.00 O ATOM 0 H GLY A 52 1.428 -7.387 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.191 -7.128 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.426 -7.033 9.714 1.00 0.00 H new ATOM 898 N VAL A 53 -0.288 -4.440 10.363 1.00 0.00 N ATOM 899 CA VAL A 53 -0.312 -2.983 10.335 1.00 0.00 C ATOM 900 C VAL A 53 0.777 -2.432 9.421 1.00 0.00 C ATOM 901 O VAL A 53 1.962 -2.690 9.626 1.00 0.00 O ATOM 902 CB VAL A 53 -0.130 -2.391 11.746 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.423 -0.898 11.741 1.00 0.00 C ATOM 904 CG2 VAL A 53 -1.020 -3.114 12.745 1.00 0.00 C ATOM 0 H VAL A 53 -0.106 -4.841 11.283 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.289 -2.691 9.949 1.00 0.00 H new ATOM 0 HB VAL A 53 0.907 -2.532 12.049 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.289 -0.498 12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.260 -0.395 11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.450 -0.730 11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.879 -2.683 13.736 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.063 -3.006 12.448 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.757 -4.171 12.768 1.00 0.00 H new ATOM 914 N ALA A 54 0.365 -1.672 8.411 1.00 0.00 N ATOM 915 CA ALA A 54 1.306 -1.083 7.466 1.00 0.00 C ATOM 916 C ALA A 54 0.738 0.190 6.848 1.00 0.00 C ATOM 917 O ALA A 54 -0.469 0.430 6.895 1.00 0.00 O ATOM 918 CB ALA A 54 1.661 -2.087 6.379 1.00 0.00 C ATOM 0 H ALA A 54 -0.613 -1.450 8.226 1.00 0.00 H new ATOM 0 HA ALA A 54 2.212 -0.819 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.364 -1.634 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.116 -2.968 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.757 -2.380 5.845 1.00 0.00 H new ATOM 924 N PHE A 55 1.615 1.004 6.270 1.00 0.00 N ATOM 925 CA PHE A 55 1.201 2.254 5.644 1.00 0.00 C ATOM 926 C PHE A 55 1.705 2.336 4.206 1.00 0.00 C ATOM 927 O PHE A 55 2.871 2.052 3.930 1.00 0.00 O ATOM 928 CB PHE A 55 1.720 3.448 6.448 1.00 0.00 C ATOM 929 CG PHE A 55 1.224 3.478 7.865 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.509 2.438 8.735 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.474 4.547 8.328 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.055 2.462 10.040 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.017 4.577 9.632 1.00 0.00 C ATOM 934 CZ PHE A 55 0.307 3.533 10.489 1.00 0.00 C ATOM 0 H PHE A 55 2.617 0.820 6.222 1.00 0.00 H new ATOM 0 HA PHE A 55 0.111 2.281 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.810 3.426 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.422 4.370 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.093 1.598 8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.244 5.366 7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.285 1.645 10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.567 5.416 9.981 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.050 3.554 11.508 1.00 0.00 H new ATOM 944 N ILE A 56 0.819 2.725 3.296 1.00 0.00 N ATOM 945 CA ILE A 56 1.174 2.845 1.887 1.00 0.00 C ATOM 946 C ILE A 56 1.199 4.305 1.449 1.00 0.00 C ATOM 947 O ILE A 56 0.244 5.049 1.674 1.00 0.00 O ATOM 948 CB ILE A 56 0.192 2.068 0.991 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.128 0.601 1.419 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.603 2.183 -0.469 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.432 -0.141 1.229 1.00 0.00 C ATOM 0 H ILE A 56 -0.150 2.963 3.509 1.00 0.00 H new ATOM 0 HA ILE A 56 2.171 2.418 1.775 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.801 2.503 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.160 0.549 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.653 0.098 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.101 1.629 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.601 3.232 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.604 1.771 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.313 -1.175 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.712 -0.121 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.212 0.337 1.821 1.00 0.00 H new ATOM 963 N LEU A 57 2.297 4.709 0.820 1.00 0.00 N ATOM 964 CA LEU A 57 2.447 6.081 0.347 1.00 0.00 C ATOM 965 C LEU A 57 2.112 6.185 -1.138 1.00 0.00 C ATOM 966 O LEU A 57 2.721 5.514 -1.971 1.00 0.00 O ATOM 967 CB LEU A 57 3.874 6.574 0.595 1.00 0.00 C ATOM 968 CG LEU A 57 4.068 8.091 0.603 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.399 8.456 1.242 1.00 0.00 C ATOM 970 CD2 LEU A 57 3.983 8.647 -0.811 1.00 0.00 C ATOM 0 H LEU A 57 3.097 4.106 0.626 1.00 0.00 H new ATOM 0 HA LEU A 57 1.750 6.709 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.212 6.180 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.522 6.149 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 57 3.269 8.537 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.519 9.539 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.422 8.092 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.211 7.999 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.123 9.728 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.760 8.194 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.005 8.418 -1.234 1.00 0.00 H new ATOM 982 N PHE A 58 1.141 7.032 -1.462 1.00 0.00 N ATOM 983 CA PHE A 58 0.725 7.225 -2.846 1.00 0.00 C ATOM 984 C PHE A 58 1.301 8.520 -3.411 1.00 0.00 C ATOM 985 O PHE A 58 1.581 9.464 -2.671 1.00 0.00 O ATOM 986 CB PHE A 58 -0.802 7.247 -2.944 1.00 0.00 C ATOM 987 CG PHE A 58 -1.426 5.883 -2.884 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.710 5.289 -1.665 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.729 5.193 -4.047 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.284 4.033 -1.607 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.304 3.937 -3.996 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.583 3.357 -2.774 1.00 0.00 C ATOM 0 H PHE A 58 0.627 7.596 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 58 1.108 6.391 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.201 7.856 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.091 7.729 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.480 5.814 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.513 5.642 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.499 3.580 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.535 3.410 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.034 2.377 -2.731 1.00 0.00 H new ATOM 1002 N LEU A 59 1.476 8.558 -4.728 1.00 0.00 N ATOM 1003 CA LEU A 59 2.020 9.736 -5.394 1.00 0.00 C ATOM 1004 C LEU A 59 1.229 10.986 -5.021 1.00 0.00 C ATOM 1005 O LEU A 59 1.789 11.960 -4.518 1.00 0.00 O ATOM 1006 CB LEU A 59 2.002 9.542 -6.911 1.00 0.00 C ATOM 1007 CG LEU A 59 2.876 10.501 -7.720 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.334 10.374 -7.307 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.717 10.238 -9.211 1.00 0.00 C ATOM 0 H LEU A 59 1.249 7.786 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 59 3.050 9.867 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.317 8.522 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.973 9.639 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 59 2.550 11.520 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.940 11.064 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.434 10.613 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.674 9.353 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.346 10.929 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.016 9.214 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.675 10.382 -9.497 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.076 10.950 -5.269 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.945 12.078 -4.956 1.00 0.00 C ATOM 1023 C ASP A 60 -2.006 11.680 -3.935 1.00 0.00 C ATOM 1024 O ASP A 60 -2.635 10.628 -4.055 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.614 12.602 -6.227 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.659 13.662 -5.938 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.707 14.148 -4.789 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.429 14.003 -6.859 1.00 0.00 O ATOM 0 H ASP A 60 -0.555 10.152 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.331 12.869 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.854 13.017 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.080 11.772 -6.757 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.200 12.526 -2.929 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.185 12.264 -1.887 1.00 0.00 C ATOM 1035 C LYS A 61 -4.497 11.772 -2.489 1.00 0.00 C ATOM 1036 O LYS A 61 -5.094 10.812 -2.000 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.434 13.529 -1.062 1.00 0.00 C ATOM 1038 CG LYS A 61 -3.925 14.706 -1.886 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.246 15.905 -1.009 1.00 0.00 C ATOM 1040 CE LYS A 61 -3.007 16.744 -0.735 1.00 0.00 C ATOM 1041 NZ LYS A 61 -2.756 17.733 -1.819 1.00 0.00 N ATOM 0 H LYS A 61 -1.687 13.400 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.789 11.484 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.167 13.308 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.510 13.810 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.165 14.982 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.814 14.414 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.003 16.520 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.671 15.563 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.125 17.267 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.141 16.090 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.903 18.285 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.618 17.233 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.571 18.373 -1.900 1.00 0.00 H new ATOM 1055 N ASP A 62 -4.939 12.433 -3.553 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.179 12.060 -4.224 1.00 0.00 C ATOM 1057 C ASP A 62 -6.320 10.543 -4.304 1.00 0.00 C ATOM 1058 O ASP A 62 -7.262 9.968 -3.759 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.226 12.664 -5.628 1.00 0.00 C ATOM 1060 CG ASP A 62 -6.536 14.148 -5.611 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -7.263 14.591 -4.698 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -6.052 14.866 -6.511 1.00 0.00 O ATOM 0 H ASP A 62 -4.457 13.230 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.011 12.453 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.268 12.502 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.981 12.145 -6.218 1.00 0.00 H new ATOM 1067 N SER A 63 -5.377 9.902 -4.987 1.00 0.00 N ATOM 1068 CA SER A 63 -5.398 8.452 -5.143 1.00 0.00 C ATOM 1069 C SER A 63 -5.591 7.764 -3.795 1.00 0.00 C ATOM 1070 O SER A 63 -6.458 6.904 -3.643 1.00 0.00 O ATOM 1071 CB SER A 63 -4.100 7.969 -5.794 1.00 0.00 C ATOM 1072 OG SER A 63 -2.968 8.425 -5.073 1.00 0.00 O ATOM 0 H SER A 63 -4.589 10.364 -5.441 1.00 0.00 H new ATOM 0 HA SER A 63 -6.238 8.192 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.094 6.880 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.049 8.328 -6.822 1.00 0.00 H new ATOM 0 HG SER A 63 -2.935 9.404 -5.101 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.775 8.149 -2.819 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.857 7.572 -1.483 1.00 0.00 C ATOM 1080 C ALA A 64 -6.299 7.527 -0.991 1.00 0.00 C ATOM 1081 O ALA A 64 -6.830 6.456 -0.697 1.00 0.00 O ATOM 1082 CB ALA A 64 -3.991 8.362 -0.513 1.00 0.00 C ATOM 0 H ALA A 64 -4.050 8.858 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.486 6.548 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.062 7.920 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.954 8.337 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.336 9.395 -0.476 1.00 0.00 H new ATOM 1088 N GLN A 65 -6.927 8.695 -0.904 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.308 8.787 -0.446 1.00 0.00 C ATOM 1090 C GLN A 65 -9.171 7.712 -1.098 1.00 0.00 C ATOM 1091 O GLN A 65 -9.881 6.974 -0.416 1.00 0.00 O ATOM 1092 CB GLN A 65 -8.879 10.172 -0.756 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.576 11.209 0.313 1.00 0.00 C ATOM 1094 CD GLN A 65 -7.175 11.777 0.195 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -6.957 12.784 -0.480 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -6.217 11.134 0.852 1.00 0.00 N ATOM 0 H GLN A 65 -6.502 9.590 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.317 8.630 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.477 10.517 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.959 10.092 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.300 12.021 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.699 10.757 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.443 10.303 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.255 11.471 0.809 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.104 7.629 -2.423 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.880 6.643 -3.167 1.00 0.00 C ATOM 1107 C ASN A 66 -9.667 5.243 -2.601 1.00 0.00 C ATOM 1108 O ASN A 66 -10.605 4.609 -2.115 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.494 6.671 -4.647 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.134 5.543 -5.433 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.265 5.144 -5.158 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.410 5.023 -6.418 1.00 0.00 N ATOM 0 H ASN A 66 -8.521 8.232 -3.003 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.935 6.899 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.792 7.626 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.410 6.604 -4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.788 4.261 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.476 5.385 -6.611 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.429 4.766 -2.666 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.092 3.440 -2.160 1.00 0.00 C ATOM 1121 C CYS A 67 -8.575 3.268 -0.724 1.00 0.00 C ATOM 1122 O CYS A 67 -9.104 2.218 -0.356 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.582 3.212 -2.234 1.00 0.00 C ATOM 1124 SG CYS A 67 -6.044 1.615 -1.579 1.00 0.00 S ATOM 0 H CYS A 67 -7.642 5.278 -3.064 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.594 2.701 -2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.264 3.292 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.078 4.007 -1.684 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.046 0.732 -2.533 1.00 0.00 H new ATOM 1130 N THR A 68 -8.388 4.305 0.087 1.00 0.00 N ATOM 1131 CA THR A 68 -8.801 4.268 1.484 1.00 0.00 C ATOM 1132 C THR A 68 -10.271 3.883 1.612 1.00 0.00 C ATOM 1133 O THR A 68 -10.736 3.526 2.695 1.00 0.00 O ATOM 1134 CB THR A 68 -8.576 5.627 2.172 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.298 6.157 1.805 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.658 5.487 3.685 1.00 0.00 C ATOM 0 H THR A 68 -7.953 5.181 -0.201 1.00 0.00 H new ATOM 0 HA THR A 68 -8.186 3.514 1.976 1.00 0.00 H new ATOM 0 HB THR A 68 -9.359 6.310 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.351 6.547 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.496 6.460 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.643 5.112 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.894 4.789 4.028 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.996 3.957 0.501 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.414 3.616 0.491 1.00 0.00 C ATOM 1146 C ARG A 69 -12.663 2.354 -0.330 1.00 0.00 C ATOM 1147 O ARG A 69 -13.638 1.637 -0.104 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.235 4.776 -0.075 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.677 4.408 -0.383 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.378 5.509 -1.165 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.819 5.513 -0.932 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.394 6.106 0.108 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.653 6.740 1.007 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.712 6.066 0.252 1.00 0.00 N ATOM 0 H ARG A 69 -10.626 4.250 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.725 3.428 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.224 5.600 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.758 5.137 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.703 3.481 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.213 4.223 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.962 6.476 -0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.183 5.378 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.417 5.034 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.639 6.773 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.097 7.195 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.286 5.579 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.152 6.522 1.051 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.777 2.090 -1.284 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.900 0.915 -2.138 1.00 0.00 C ATOM 1170 C ALA A 70 -11.619 -0.364 -1.355 1.00 0.00 C ATOM 1171 O ALA A 70 -12.360 -1.342 -1.461 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.958 1.025 -3.327 1.00 0.00 C ATOM 0 H ALA A 70 -10.966 2.674 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.926 0.869 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.061 0.141 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.207 1.914 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.930 1.100 -2.971 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.546 -0.349 -0.572 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.169 -1.507 0.228 1.00 0.00 C ATOM 1180 C ILE A 71 -10.850 -1.479 1.592 1.00 0.00 C ATOM 1181 O ILE A 71 -11.153 -2.523 2.168 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.644 -1.580 0.430 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.160 -0.388 1.258 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.933 -1.620 -0.915 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.772 -0.574 1.831 1.00 0.00 C ATOM 0 H ILE A 71 -9.922 0.452 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.497 -2.389 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.408 -2.496 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.170 0.506 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.861 -0.214 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.856 -1.671 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.260 -2.497 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.174 -0.720 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.494 0.309 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.761 -1.448 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.059 -0.717 1.019 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.089 -0.275 2.103 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.737 -0.110 3.399 1.00 0.00 C ATOM 1199 C ASN A 72 -13.017 -0.936 3.477 1.00 0.00 C ATOM 1200 O ASN A 72 -13.782 -1.006 2.516 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.052 1.366 3.651 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.189 1.554 4.636 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -12.967 1.696 5.838 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.417 1.556 4.128 1.00 0.00 N ATOM 0 H ASN A 72 -10.844 0.600 1.639 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.051 -0.464 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.160 1.866 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.310 1.846 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.223 1.679 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.554 1.435 3.125 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.245 -1.558 4.629 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.433 -2.379 4.833 1.00 0.00 C ATOM 1213 C ASN A 73 -14.527 -3.473 3.774 1.00 0.00 C ATOM 1214 O ASN A 73 -15.591 -3.710 3.202 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.691 -1.509 4.797 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.956 -2.312 5.034 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.905 -3.524 5.243 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -18.099 -1.637 5.002 1.00 0.00 N ATOM 0 H ASN A 73 -12.623 -1.509 5.436 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.354 -2.852 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.612 -0.729 5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.757 -1.010 3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.983 -2.123 5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.093 -0.632 4.825 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.405 -4.138 3.517 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.359 -5.209 2.529 1.00 0.00 C ATOM 1227 C LYS A 74 -12.438 -6.334 2.989 1.00 0.00 C ATOM 1228 O LYS A 74 -11.488 -6.104 3.737 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.883 -4.665 1.180 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.096 -5.630 0.026 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.531 -5.594 -0.473 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.715 -4.552 -1.565 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.038 -3.211 -1.004 1.00 0.00 N ATOM 0 H LYS A 74 -12.515 -3.953 3.980 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.366 -5.611 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.409 -3.735 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.823 -4.423 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.419 -5.377 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.846 -6.642 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.809 -6.576 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.201 -5.374 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.805 -4.486 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.514 -4.867 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.831 -2.795 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.303 -3.308 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.206 -2.592 -1.083 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.725 -7.550 2.535 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.921 -8.711 2.900 1.00 0.00 C ATOM 1249 C GLN A 75 -10.905 -9.034 1.809 1.00 0.00 C ATOM 1250 O GLN A 75 -11.269 -9.259 0.654 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.820 -9.922 3.151 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.897 -9.675 4.194 1.00 0.00 C ATOM 1253 CD GLN A 75 -14.837 -10.853 4.354 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.998 -10.796 3.948 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -14.339 -11.932 4.947 1.00 0.00 N ATOM 0 H GLN A 75 -13.508 -7.757 1.914 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.380 -8.473 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.294 -10.213 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.203 -10.762 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.426 -9.459 5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.472 -8.792 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.371 -11.936 5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.925 -12.756 5.081 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.630 -9.054 2.183 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.560 -9.350 1.236 1.00 0.00 C ATOM 1266 C LEU A 76 -7.632 -10.429 1.783 1.00 0.00 C ATOM 1267 O LEU A 76 -7.145 -10.331 2.909 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.761 -8.082 0.927 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.405 -7.107 -0.060 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.475 -6.276 0.632 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.349 -6.207 -0.685 1.00 0.00 C ATOM 0 H LEU A 76 -9.312 -8.869 3.134 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.014 -9.720 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.580 -7.554 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.788 -8.376 0.534 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.879 -7.683 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.922 -5.588 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.246 -6.935 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.025 -5.709 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.825 -5.520 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.846 -5.638 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.619 -6.817 -1.216 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.389 -11.457 0.977 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.518 -12.555 1.379 1.00 0.00 C ATOM 1285 C PHE A 77 -7.026 -13.212 2.660 1.00 0.00 C ATOM 1286 O PHE A 77 -6.241 -13.615 3.517 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.088 -12.050 1.585 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.365 -11.758 0.301 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.669 -10.626 -0.438 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.382 -12.615 -0.167 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.005 -10.356 -1.620 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.715 -12.350 -1.348 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.027 -11.218 -2.075 1.00 0.00 C ATOM 0 H PHE A 77 -7.783 -11.553 0.041 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.523 -13.299 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.115 -11.145 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.526 -12.795 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.433 -9.948 -0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.134 -13.501 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.251 -9.471 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.951 -13.027 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.507 -11.007 -2.998 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.346 -13.315 2.781 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.937 -13.922 3.959 1.00 0.00 C ATOM 1305 C GLY A 78 -8.587 -13.179 5.233 1.00 0.00 C ATOM 1306 O GLY A 78 -8.087 -13.773 6.188 1.00 0.00 O ATOM 0 H GLY A 78 -9.016 -12.989 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.021 -13.950 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.599 -14.955 4.040 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.847 -11.875 5.246 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.552 -11.050 6.411 1.00 0.00 C ATOM 1312 C ARG A 79 -9.079 -9.631 6.218 1.00 0.00 C ATOM 1313 O ARG A 79 -8.595 -8.888 5.364 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.045 -11.015 6.670 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.211 -10.928 5.402 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.764 -11.315 5.660 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.606 -12.756 5.839 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.594 -13.309 6.498 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.654 -12.545 7.038 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.520 -14.629 6.618 1.00 0.00 N ATOM 0 H ARG A 79 -9.261 -11.368 4.464 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.051 -11.491 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.814 -10.161 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.759 -11.910 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.634 -11.584 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.252 -9.913 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.146 -10.984 4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.403 -10.798 6.549 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.312 -13.372 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.707 -11.530 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.878 -12.972 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.241 -15.220 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.742 -15.052 7.124 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.075 -9.261 7.018 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.667 -7.931 6.936 1.00 0.00 C ATOM 1336 C VAL A 80 -9.607 -6.847 7.087 1.00 0.00 C ATOM 1337 O VAL A 80 -8.957 -6.740 8.128 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.748 -7.731 8.016 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.367 -6.347 7.901 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.813 -8.811 7.909 1.00 0.00 C ATOM 0 H VAL A 80 -10.488 -9.864 7.730 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.127 -7.849 5.951 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.278 -7.812 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.128 -6.224 8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.593 -5.590 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.824 -6.233 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.568 -8.655 8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.282 -8.764 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.353 -9.790 8.045 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.437 -6.043 6.042 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.456 -4.965 6.060 1.00 0.00 C ATOM 1352 C ILE A 81 -9.119 -3.623 6.352 1.00 0.00 C ATOM 1353 O ILE A 81 -10.199 -3.327 5.840 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.700 -4.871 4.721 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.977 -6.187 4.426 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.713 -3.713 4.751 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.954 -6.078 3.317 1.00 0.00 C ATOM 0 H ILE A 81 -9.966 -6.118 5.173 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.746 -5.197 6.854 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.421 -4.688 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.482 -6.532 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.713 -6.945 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.186 -3.659 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.251 -2.781 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.994 -3.869 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.481 -7.048 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.447 -5.763 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.196 -5.344 3.592 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.464 -2.813 7.176 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.987 -1.500 7.535 1.00 0.00 C ATOM 1371 C LYS A 82 -8.127 -0.391 6.938 1.00 0.00 C ATOM 1372 O LYS A 82 -6.905 -0.394 7.082 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.046 -1.351 9.057 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.251 -2.026 9.688 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.129 -3.540 9.642 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.139 -4.209 10.562 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.541 -3.937 10.138 1.00 0.00 N ATOM 0 H LYS A 82 -7.569 -3.043 7.608 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.995 -1.414 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.138 -1.770 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.060 -0.291 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.352 -1.699 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.157 -1.717 9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.280 -3.887 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.120 -3.834 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.965 -5.285 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.993 -3.853 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.169 -4.671 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.837 -3.006 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.597 -3.944 9.100 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.775 0.558 6.268 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.070 1.675 5.653 1.00 0.00 C ATOM 1393 C ALA A 83 -8.557 3.007 6.213 1.00 0.00 C ATOM 1394 O ALA A 83 -9.760 3.259 6.282 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.243 1.640 4.142 1.00 0.00 C ATOM 0 H ALA A 83 -9.787 0.575 6.138 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.010 1.578 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.711 2.480 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.839 0.706 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.303 1.709 3.895 1.00 0.00 H new ATOM 1401 N SER A 84 -7.615 3.856 6.612 1.00 0.00 N ATOM 1402 CA SER A 84 -7.949 5.161 7.170 1.00 0.00 C ATOM 1403 C SER A 84 -6.823 6.161 6.926 1.00 0.00 C ATOM 1404 O SER A 84 -5.644 5.817 7.009 1.00 0.00 O ATOM 1405 CB SER A 84 -8.225 5.042 8.670 1.00 0.00 C ATOM 1406 OG SER A 84 -9.363 4.235 8.917 1.00 0.00 O ATOM 0 H SER A 84 -6.615 3.663 6.559 1.00 0.00 H new ATOM 0 HA SER A 84 -8.847 5.523 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.356 4.614 9.170 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.380 6.034 9.094 1.00 0.00 H new ATOM 0 HG SER A 84 -9.517 4.173 9.883 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.196 7.400 6.624 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.218 8.451 6.369 1.00 0.00 C ATOM 1414 C ILE A 85 -5.383 8.738 7.612 1.00 0.00 C ATOM 1415 O ILE A 85 -5.914 9.120 8.654 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.899 9.754 5.909 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.786 9.489 4.691 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.854 10.813 5.591 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -7.099 8.690 3.606 1.00 0.00 C ATOM 0 H ILE A 85 -8.168 7.701 6.550 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.567 8.090 5.573 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.528 10.124 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.681 8.956 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.114 10.442 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.350 11.728 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.261 11.018 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.202 10.453 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.787 8.540 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.220 9.231 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.795 7.722 4.004 1.00 0.00 H new ATOM 1431 N ALA A 86 -4.072 8.553 7.492 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.162 8.796 8.605 1.00 0.00 C ATOM 1433 C ALA A 86 -2.777 10.269 8.687 1.00 0.00 C ATOM 1434 O ALA A 86 -1.997 10.763 7.872 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.919 7.930 8.468 1.00 0.00 C ATOM 0 H ALA A 86 -3.617 8.236 6.636 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.677 8.530 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.248 8.121 9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.206 6.879 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.410 8.169 7.534 1.00 0.00 H new