USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 402 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 38 LYS NZ :NH3+ 157:sc= -0.0563 (180deg=-0.388) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.216 X(o=-0.27,f=-0.37) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.03) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.18! X(o=-2.2!,f=-2.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -141:sc= -0.0048 (180deg=-1.21) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 104:sc= 0.147 USER MOD Single : A 25 TYR OH : rot 150:sc= -0.603 USER MOD Single : A 29 ASN : amide:sc= -3.33! K(o=-3.3!,f=-1) USER MOD Single : A 30 HIS : no HD1:sc= -2.06! K(o=-2.1!,f=-0.61) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -0.393 (180deg=-0.545) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000648) USER MOD Single : A 44 THR OG1 : rot -62:sc= 0.186 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 48 LYS NZ :NH3+ -105:sc=-0.00388 (180deg=-0.586) USER MOD Single : A 52 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.034) USER MOD Single : A 56 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.446 -1.287 -0.547 1.00 0.00 N ATOM 179 CA PHE A 14 -11.914 -1.813 0.704 1.00 0.00 C ATOM 180 C PHE A 14 -12.563 -1.127 1.904 1.00 0.00 C ATOM 181 O PHE A 14 -12.976 0.030 1.823 1.00 0.00 O ATOM 182 CB PHE A 14 -10.396 -1.626 0.756 1.00 0.00 C ATOM 183 CG PHE A 14 -9.666 -2.347 -0.341 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.683 -3.730 -0.412 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.962 -1.639 -1.303 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.013 -4.395 -1.421 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.291 -2.299 -2.315 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.315 -3.679 -2.373 1.00 0.00 C ATOM 0 HA PHE A 14 -12.145 -2.877 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.167 -0.562 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.027 -1.978 1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.227 -4.296 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.938 -0.560 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.035 -5.474 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.748 -1.736 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.789 -4.197 -3.161 1.00 0.00 H new ATOM 198 N LYS A 15 -12.650 -1.849 3.015 1.00 0.00 N ATOM 199 CA LYS A 15 -13.248 -1.312 4.232 1.00 0.00 C ATOM 200 C LYS A 15 -12.275 -0.385 4.952 1.00 0.00 C ATOM 201 O LYS A 15 -11.069 -0.424 4.710 1.00 0.00 O ATOM 202 CB LYS A 15 -13.668 -2.451 5.163 1.00 0.00 C ATOM 203 CG LYS A 15 -14.558 -3.486 4.497 1.00 0.00 C ATOM 204 CD LYS A 15 -15.967 -2.957 4.288 1.00 0.00 C ATOM 205 CE LYS A 15 -16.907 -4.050 3.802 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.924 -4.146 2.317 1.00 0.00 N ATOM 0 H LYS A 15 -12.314 -2.808 3.098 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.130 -0.737 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.774 -2.945 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.192 -2.032 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.129 -3.772 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.593 -4.386 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.343 -2.542 5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.947 -2.144 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.601 -5.007 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.915 -3.850 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.576 -4.902 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.241 -3.241 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.967 -4.362 1.972 1.00 0.00 H new ATOM 220 N HIS A 16 -12.806 0.449 5.841 1.00 0.00 N ATOM 221 CA HIS A 16 -11.985 1.385 6.598 1.00 0.00 C ATOM 222 C HIS A 16 -11.250 0.672 7.729 1.00 0.00 C ATOM 223 O HIS A 16 -10.255 1.175 8.252 1.00 0.00 O ATOM 224 CB HIS A 16 -12.848 2.512 7.167 1.00 0.00 C ATOM 225 CG HIS A 16 -13.086 3.632 6.200 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.262 4.350 6.155 1.00 0.00 N ATOM 227 CD2 HIS A 16 -12.289 4.155 5.239 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.178 5.267 5.207 1.00 0.00 C ATOM 229 NE2 HIS A 16 -12.991 5.169 4.637 1.00 0.00 N ATOM 0 H HIS A 16 -13.802 0.495 6.054 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.246 1.811 5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.809 2.101 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.368 2.911 8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.288 3.834 4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.949 5.976 4.943 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.651 5.753 3.873 1.00 0.00 H new ATOM 238 N HIS A 17 -11.746 -0.503 8.102 1.00 0.00 N ATOM 239 CA HIS A 17 -11.136 -1.286 9.170 1.00 0.00 C ATOM 240 C HIS A 17 -9.844 -1.943 8.695 1.00 0.00 C ATOM 241 O HIS A 17 -8.756 -1.595 9.152 1.00 0.00 O ATOM 242 CB HIS A 17 -12.111 -2.354 9.668 1.00 0.00 C ATOM 243 CG HIS A 17 -13.362 -1.790 10.270 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.579 -1.723 11.630 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.464 -1.263 9.688 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.762 -1.181 11.858 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.319 -0.892 10.696 1.00 0.00 N ATOM 0 H HIS A 17 -12.569 -0.934 7.680 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.897 -0.610 9.991 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.380 -3.005 8.836 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.609 -2.975 10.410 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.639 -1.154 8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.199 -1.004 12.830 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.235 -0.463 10.568 1.00 0.00 H new ATOM 256 N GLN A 18 -9.973 -2.892 7.774 1.00 0.00 N ATOM 257 CA GLN A 18 -8.815 -3.598 7.238 1.00 0.00 C ATOM 258 C GLN A 18 -7.743 -2.615 6.779 1.00 0.00 C ATOM 259 O GLN A 18 -6.574 -2.737 7.150 1.00 0.00 O ATOM 260 CB GLN A 18 -9.232 -4.495 6.071 1.00 0.00 C ATOM 261 CG GLN A 18 -10.429 -3.968 5.297 1.00 0.00 C ATOM 262 CD GLN A 18 -10.404 -4.372 3.835 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.148 -5.255 3.411 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.542 -3.725 3.058 1.00 0.00 N ATOM 0 H GLN A 18 -10.867 -3.190 7.383 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.400 -4.217 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.389 -4.605 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.466 -5.489 6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.345 -4.338 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.453 -2.881 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.944 -2.999 3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.478 -3.954 2.066 1.00 0.00 H new ATOM 273 N LEU A 19 -8.147 -1.641 5.972 1.00 0.00 N ATOM 274 CA LEU A 19 -7.220 -0.636 5.463 1.00 0.00 C ATOM 275 C LEU A 19 -6.454 0.027 6.604 1.00 0.00 C ATOM 276 O LEU A 19 -5.240 0.214 6.522 1.00 0.00 O ATOM 277 CB LEU A 19 -7.977 0.423 4.659 1.00 0.00 C ATOM 278 CG LEU A 19 -8.134 0.147 3.164 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.818 1.316 2.474 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.779 -0.130 2.529 1.00 0.00 C ATOM 0 H LEU A 19 -9.110 -1.525 5.656 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.503 -1.136 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.970 0.538 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.464 1.377 4.780 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.760 -0.737 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.921 1.101 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.805 1.469 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.219 2.217 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.909 -0.325 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.131 0.736 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.326 -1.000 3.004 1.00 0.00 H new ATOM 292 N ARG A 20 -7.170 0.376 7.666 1.00 0.00 N ATOM 293 CA ARG A 20 -6.558 1.017 8.824 1.00 0.00 C ATOM 294 C ARG A 20 -5.279 0.290 9.233 1.00 0.00 C ATOM 295 O ARG A 20 -4.295 0.918 9.626 1.00 0.00 O ATOM 296 CB ARG A 20 -7.539 1.044 9.997 1.00 0.00 C ATOM 297 CG ARG A 20 -7.029 1.821 11.199 1.00 0.00 C ATOM 298 CD ARG A 20 -7.037 3.319 10.940 1.00 0.00 C ATOM 299 NE ARG A 20 -6.125 4.035 11.828 1.00 0.00 N ATOM 300 CZ ARG A 20 -6.343 4.198 13.128 1.00 0.00 C ATOM 301 NH1 ARG A 20 -7.437 3.700 13.688 1.00 0.00 N ATOM 302 NH2 ARG A 20 -5.466 4.861 13.871 1.00 0.00 N ATOM 0 H ARG A 20 -8.175 0.226 7.750 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.303 2.041 8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.479 1.483 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.756 0.020 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.649 1.598 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.016 1.498 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.757 3.509 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.048 3.704 11.073 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.274 4.431 11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.114 3.190 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.602 3.827 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.624 5.246 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.634 4.986 14.869 1.00 0.00 H new ATOM 316 N THR A 21 -5.301 -1.035 9.138 1.00 0.00 N ATOM 317 CA THR A 21 -4.145 -1.847 9.499 1.00 0.00 C ATOM 318 C THR A 21 -3.078 -1.798 8.412 1.00 0.00 C ATOM 319 O THR A 21 -1.884 -1.754 8.704 1.00 0.00 O ATOM 320 CB THR A 21 -4.544 -3.313 9.746 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.488 -3.390 10.820 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.322 -4.158 10.076 1.00 0.00 C ATOM 0 H THR A 21 -6.107 -1.570 8.814 1.00 0.00 H new ATOM 0 HA THR A 21 -3.740 -1.429 10.420 1.00 0.00 H new ATOM 0 HB THR A 21 -4.999 -3.701 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.738 -4.326 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.629 -5.190 10.247 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.619 -4.121 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.842 -3.769 10.974 1.00 0.00 H new ATOM 330 N MET A 22 -3.517 -1.805 7.157 1.00 0.00 N ATOM 331 CA MET A 22 -2.598 -1.759 6.027 1.00 0.00 C ATOM 332 C MET A 22 -1.979 -0.372 5.884 1.00 0.00 C ATOM 333 O MET A 22 -0.768 -0.202 6.030 1.00 0.00 O ATOM 334 CB MET A 22 -3.325 -2.142 4.735 1.00 0.00 C ATOM 335 CG MET A 22 -3.297 -3.633 4.442 1.00 0.00 C ATOM 336 SD MET A 22 -3.338 -3.995 2.676 1.00 0.00 S ATOM 337 CE MET A 22 -5.037 -3.586 2.286 1.00 0.00 C ATOM 0 H MET A 22 -4.503 -1.842 6.898 1.00 0.00 H new ATOM 0 HA MET A 22 -1.798 -2.476 6.212 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.362 -1.812 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.872 -1.607 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.397 -4.068 4.877 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.149 -4.111 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.431 -4.310 1.573 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.636 -3.611 3.197 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.080 -2.588 1.851 1.00 0.00 H new ATOM 347 N LYS A 23 -2.818 0.617 5.597 1.00 0.00 N ATOM 348 CA LYS A 23 -2.355 1.990 5.435 1.00 0.00 C ATOM 349 C LYS A 23 -1.303 2.337 6.483 1.00 0.00 C ATOM 350 O LYS A 23 -0.201 2.772 6.150 1.00 0.00 O ATOM 351 CB LYS A 23 -3.532 2.963 5.537 1.00 0.00 C ATOM 352 CG LYS A 23 -4.265 3.173 4.224 1.00 0.00 C ATOM 353 CD LYS A 23 -5.494 4.048 4.404 1.00 0.00 C ATOM 354 CE LYS A 23 -6.187 4.315 3.077 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.214 5.387 3.193 1.00 0.00 N ATOM 0 H LYS A 23 -3.823 0.493 5.472 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.902 2.080 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.236 2.591 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.167 3.925 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.592 3.634 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.562 2.208 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.190 3.563 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.205 4.994 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.445 4.602 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.658 3.398 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.663 5.539 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.936 5.103 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.761 6.269 3.507 1.00 0.00 H new ATOM 369 N SER A 24 -1.650 2.140 7.751 1.00 0.00 N ATOM 370 CA SER A 24 -0.735 2.434 8.848 1.00 0.00 C ATOM 371 C SER A 24 0.612 1.752 8.630 1.00 0.00 C ATOM 372 O SER A 24 1.666 2.355 8.832 1.00 0.00 O ATOM 373 CB SER A 24 -1.339 1.981 10.178 1.00 0.00 C ATOM 374 OG SER A 24 -2.280 2.926 10.660 1.00 0.00 O ATOM 0 H SER A 24 -2.558 1.778 8.044 1.00 0.00 H new ATOM 0 HA SER A 24 -0.576 3.512 8.877 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.824 1.013 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.546 1.845 10.913 1.00 0.00 H new ATOM 0 HG SER A 24 -3.188 2.593 10.503 1.00 0.00 H new ATOM 380 N TYR A 25 0.569 0.490 8.218 1.00 0.00 N ATOM 381 CA TYR A 25 1.785 -0.277 7.974 1.00 0.00 C ATOM 382 C TYR A 25 2.626 0.370 6.878 1.00 0.00 C ATOM 383 O TYR A 25 3.850 0.455 6.987 1.00 0.00 O ATOM 384 CB TYR A 25 1.437 -1.715 7.585 1.00 0.00 C ATOM 385 CG TYR A 25 2.649 -2.592 7.367 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.466 -2.421 6.256 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.978 -3.594 8.273 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.573 -3.220 6.053 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.084 -4.399 8.078 1.00 0.00 C ATOM 390 CZ TYR A 25 4.878 -4.208 6.967 1.00 0.00 C ATOM 391 OH TYR A 25 5.981 -5.006 6.769 1.00 0.00 O ATOM 0 H TYR A 25 -0.295 -0.024 8.046 1.00 0.00 H new ATOM 0 HA TYR A 25 2.368 -0.289 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.817 -2.154 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.840 -1.702 6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.231 -1.649 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.358 -3.746 9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.197 -3.073 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.325 -5.173 8.791 1.00 0.00 H new ATOM 0 HH TYR A 25 6.339 -5.290 7.636 1.00 0.00 H new ATOM 401 N PHE A 26 1.961 0.825 5.821 1.00 0.00 N ATOM 402 CA PHE A 26 2.645 1.464 4.704 1.00 0.00 C ATOM 403 C PHE A 26 3.682 2.466 5.201 1.00 0.00 C ATOM 404 O PHE A 26 4.729 2.652 4.583 1.00 0.00 O ATOM 405 CB PHE A 26 1.635 2.166 3.794 1.00 0.00 C ATOM 406 CG PHE A 26 2.254 2.772 2.566 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.834 1.968 1.598 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.256 4.145 2.380 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.404 2.521 0.467 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.824 4.704 1.252 1.00 0.00 C ATOM 411 CZ PHE A 26 3.399 3.891 0.295 1.00 0.00 C ATOM 0 H PHE A 26 0.948 0.763 5.715 1.00 0.00 H new ATOM 0 HA PHE A 26 3.159 0.689 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.872 1.449 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.130 2.948 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.841 0.896 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.808 4.785 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.852 1.883 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.819 5.776 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.844 4.327 -0.587 1.00 0.00 H new ATOM 421 N ALA A 27 3.381 3.110 6.325 1.00 0.00 N ATOM 422 CA ALA A 27 4.286 4.092 6.908 1.00 0.00 C ATOM 423 C ALA A 27 5.457 3.413 7.609 1.00 0.00 C ATOM 424 O ALA A 27 6.593 3.883 7.537 1.00 0.00 O ATOM 425 CB ALA A 27 3.535 4.990 7.881 1.00 0.00 C ATOM 0 H ALA A 27 2.517 2.969 6.849 1.00 0.00 H new ATOM 0 HA ALA A 27 4.686 4.704 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.223 5.719 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.737 5.511 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.106 4.384 8.679 1.00 0.00 H new ATOM 431 N ILE A 28 5.174 2.305 8.285 1.00 0.00 N ATOM 432 CA ILE A 28 6.204 1.561 8.998 1.00 0.00 C ATOM 433 C ILE A 28 7.180 0.905 8.027 1.00 0.00 C ATOM 434 O ILE A 28 8.394 1.067 8.147 1.00 0.00 O ATOM 435 CB ILE A 28 5.591 0.476 9.904 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.599 1.102 10.886 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.685 -0.271 10.651 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.489 0.162 11.305 1.00 0.00 C ATOM 0 H ILE A 28 4.239 1.903 8.354 1.00 0.00 H new ATOM 0 HA ILE A 28 6.740 2.280 9.618 1.00 0.00 H new ATOM 0 HB ILE A 28 5.054 -0.237 9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.138 1.433 11.774 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.160 1.990 10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.236 -1.034 11.287 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.356 -0.745 9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.248 0.430 11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.823 0.672 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.925 -0.149 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.918 -0.715 11.790 1.00 0.00 H new ATOM 450 N ASN A 29 6.640 0.165 7.064 1.00 0.00 N ATOM 451 CA ASN A 29 7.463 -0.514 6.070 1.00 0.00 C ATOM 452 C ASN A 29 6.804 -0.469 4.695 1.00 0.00 C ATOM 453 O ASN A 29 5.745 -1.059 4.483 1.00 0.00 O ATOM 454 CB ASN A 29 7.704 -1.967 6.485 1.00 0.00 C ATOM 455 CG ASN A 29 8.977 -2.535 5.887 1.00 0.00 C ATOM 456 OD1 ASN A 29 10.080 -2.241 6.350 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.830 -3.354 4.852 1.00 0.00 N ATOM 0 H ASN A 29 5.637 0.020 6.951 1.00 0.00 H new ATOM 0 HA ASN A 29 8.420 0.004 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.758 -2.027 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.856 -2.577 6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.650 -3.767 4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.897 -3.570 4.501 1.00 0.00 H new ATOM 464 N HIS A 30 7.440 0.236 3.764 1.00 0.00 N ATOM 465 CA HIS A 30 6.916 0.358 2.407 1.00 0.00 C ATOM 466 C HIS A 30 7.026 -0.968 1.661 1.00 0.00 C ATOM 467 O HIS A 30 6.091 -1.390 0.984 1.00 0.00 O ATOM 468 CB HIS A 30 7.665 1.450 1.645 1.00 0.00 C ATOM 469 CG HIS A 30 7.377 2.833 2.142 1.00 0.00 C ATOM 470 ND1 HIS A 30 7.422 3.949 1.333 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.036 3.278 3.374 1.00 0.00 C ATOM 472 CE1 HIS A 30 7.124 5.020 2.046 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.885 4.640 3.289 1.00 0.00 N ATOM 0 H HIS A 30 8.318 0.731 3.924 1.00 0.00 H new ATOM 0 HA HIS A 30 5.863 0.630 2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.736 1.263 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.402 1.390 0.589 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.907 2.674 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.083 6.034 1.676 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.630 5.258 4.060 1.00 0.00 H new ATOM 482 N ASN A 31 8.178 -1.619 1.790 1.00 0.00 N ATOM 483 CA ASN A 31 8.412 -2.897 1.127 1.00 0.00 C ATOM 484 C ASN A 31 8.402 -4.043 2.134 1.00 0.00 C ATOM 485 O ASN A 31 9.446 -4.523 2.576 1.00 0.00 O ATOM 486 CB ASN A 31 9.748 -2.871 0.382 1.00 0.00 C ATOM 487 CG ASN A 31 9.687 -2.039 -0.884 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.938 -2.352 -1.810 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.478 -0.973 -0.932 1.00 0.00 N ATOM 0 H ASN A 31 8.963 -1.283 2.347 1.00 0.00 H new ATOM 0 HA ASN A 31 7.606 -3.059 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.520 -2.471 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.040 -3.890 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.480 -0.377 -1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.083 -0.751 -0.141 1.00 0.00 H new ATOM 496 N PRO A 32 7.194 -4.493 2.506 1.00 0.00 N ATOM 497 CA PRO A 32 7.018 -5.588 3.463 1.00 0.00 C ATOM 498 C PRO A 32 7.452 -6.934 2.892 1.00 0.00 C ATOM 499 O PRO A 32 7.486 -7.120 1.676 1.00 0.00 O ATOM 500 CB PRO A 32 5.512 -5.584 3.735 1.00 0.00 C ATOM 501 CG PRO A 32 4.909 -4.976 2.516 1.00 0.00 C ATOM 502 CD PRO A 32 5.907 -3.967 2.019 1.00 0.00 C ATOM 0 HA PRO A 32 7.627 -5.449 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.137 -6.594 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.272 -5.005 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.711 -5.735 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.956 -4.501 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.891 -3.887 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.704 -2.972 2.415 1.00 0.00 H new ATOM 510 N ASP A 33 7.782 -7.869 3.776 1.00 0.00 N ATOM 511 CA ASP A 33 8.213 -9.198 3.360 1.00 0.00 C ATOM 512 C ASP A 33 7.071 -10.202 3.484 1.00 0.00 C ATOM 513 O ASP A 33 5.998 -9.878 3.990 1.00 0.00 O ATOM 514 CB ASP A 33 9.407 -9.657 4.197 1.00 0.00 C ATOM 515 CG ASP A 33 10.550 -8.661 4.170 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.415 -8.775 3.278 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.578 -7.768 5.043 1.00 0.00 O ATOM 0 H ASP A 33 7.759 -7.731 4.786 1.00 0.00 H new ATOM 0 HA ASP A 33 8.514 -9.145 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.087 -9.811 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.759 -10.620 3.826 1.00 0.00 H new ATOM 522 N ALA A 34 7.311 -11.424 3.018 1.00 0.00 N ATOM 523 CA ALA A 34 6.305 -12.476 3.079 1.00 0.00 C ATOM 524 C ALA A 34 5.654 -12.535 4.457 1.00 0.00 C ATOM 525 O ALA A 34 4.441 -12.372 4.589 1.00 0.00 O ATOM 526 CB ALA A 34 6.925 -13.821 2.728 1.00 0.00 C ATOM 0 H ALA A 34 8.194 -11.709 2.594 1.00 0.00 H new ATOM 0 HA ALA A 34 5.529 -12.244 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.162 -14.598 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.336 -13.780 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.722 -14.050 3.435 1.00 0.00 H new ATOM 532 N LYS A 35 6.467 -12.768 5.481 1.00 0.00 N ATOM 533 CA LYS A 35 5.971 -12.848 6.849 1.00 0.00 C ATOM 534 C LYS A 35 4.896 -11.796 7.101 1.00 0.00 C ATOM 535 O LYS A 35 3.806 -12.111 7.580 1.00 0.00 O ATOM 536 CB LYS A 35 7.121 -12.662 7.842 1.00 0.00 C ATOM 537 CG LYS A 35 6.661 -12.419 9.269 1.00 0.00 C ATOM 538 CD LYS A 35 6.020 -13.660 9.867 1.00 0.00 C ATOM 539 CE LYS A 35 6.141 -13.673 11.383 1.00 0.00 C ATOM 540 NZ LYS A 35 5.072 -12.866 12.032 1.00 0.00 N ATOM 0 H LYS A 35 7.474 -12.905 5.389 1.00 0.00 H new ATOM 0 HA LYS A 35 5.530 -13.835 6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.755 -13.548 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.736 -11.822 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.512 -12.117 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.947 -11.595 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.968 -13.700 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.495 -14.551 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.089 -14.701 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.117 -13.283 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.257 -12.802 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.061 -11.910 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.150 -13.321 11.875 1.00 0.00 H new ATOM 554 N ASP A 36 5.207 -10.548 6.772 1.00 0.00 N ATOM 555 CA ASP A 36 4.265 -9.450 6.960 1.00 0.00 C ATOM 556 C ASP A 36 3.039 -9.629 6.069 1.00 0.00 C ATOM 557 O ASP A 36 1.906 -9.419 6.506 1.00 0.00 O ATOM 558 CB ASP A 36 4.941 -8.113 6.654 1.00 0.00 C ATOM 559 CG ASP A 36 6.337 -8.022 7.240 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.488 -8.272 8.454 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.278 -7.702 6.483 1.00 0.00 O ATOM 0 H ASP A 36 6.104 -10.270 6.374 1.00 0.00 H new ATOM 0 HA ASP A 36 3.941 -9.455 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.994 -7.975 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.330 -7.301 7.050 1.00 0.00 H new ATOM 566 N LEU A 37 3.272 -10.016 4.821 1.00 0.00 N ATOM 567 CA LEU A 37 2.186 -10.222 3.868 1.00 0.00 C ATOM 568 C LEU A 37 1.163 -11.214 4.415 1.00 0.00 C ATOM 569 O LEU A 37 -0.022 -10.901 4.529 1.00 0.00 O ATOM 570 CB LEU A 37 2.740 -10.726 2.534 1.00 0.00 C ATOM 571 CG LEU A 37 3.227 -9.651 1.561 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.912 -10.288 0.363 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.067 -8.775 1.111 1.00 0.00 C ATOM 0 H LEU A 37 4.203 -10.194 4.444 1.00 0.00 H new ATOM 0 HA LEU A 37 1.688 -9.265 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.569 -11.404 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.965 -11.311 2.039 1.00 0.00 H new ATOM 0 HG LEU A 37 3.953 -9.022 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.252 -9.508 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.767 -10.873 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.208 -10.940 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.432 -8.016 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.318 -9.391 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.619 -8.290 1.979 1.00 0.00 H new ATOM 585 N LYS A 38 1.630 -12.411 4.752 1.00 0.00 N ATOM 586 CA LYS A 38 0.759 -13.449 5.290 1.00 0.00 C ATOM 587 C LYS A 38 0.139 -13.007 6.612 1.00 0.00 C ATOM 588 O LYS A 38 -1.007 -13.340 6.911 1.00 0.00 O ATOM 589 CB LYS A 38 1.541 -14.749 5.490 1.00 0.00 C ATOM 590 CG LYS A 38 2.627 -14.648 6.548 1.00 0.00 C ATOM 591 CD LYS A 38 3.331 -15.979 6.753 1.00 0.00 C ATOM 592 CE LYS A 38 3.934 -16.082 8.146 1.00 0.00 C ATOM 593 NZ LYS A 38 2.884 -16.157 9.199 1.00 0.00 N ATOM 0 H LYS A 38 2.608 -12.687 4.662 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.043 -13.623 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.847 -15.542 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.994 -15.040 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.355 -13.892 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.189 -14.318 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.623 -16.794 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.116 -16.095 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.569 -16.966 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.573 -15.218 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.278 -16.604 10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.556 -15.198 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.083 -16.722 8.851 1.00 0.00 H new ATOM 607 N GLN A 39 0.904 -12.256 7.398 1.00 0.00 N ATOM 608 CA GLN A 39 0.429 -11.769 8.687 1.00 0.00 C ATOM 609 C GLN A 39 -0.691 -10.750 8.505 1.00 0.00 C ATOM 610 O GLN A 39 -1.591 -10.644 9.339 1.00 0.00 O ATOM 611 CB GLN A 39 1.580 -11.145 9.476 1.00 0.00 C ATOM 612 CG GLN A 39 2.389 -12.155 10.273 1.00 0.00 C ATOM 613 CD GLN A 39 1.592 -12.785 11.398 1.00 0.00 C ATOM 614 OE1 GLN A 39 1.089 -13.902 11.269 1.00 0.00 O ATOM 615 NE2 GLN A 39 1.472 -12.070 12.511 1.00 0.00 N ATOM 0 H GLN A 39 1.855 -11.972 7.164 1.00 0.00 H new ATOM 0 HA GLN A 39 0.035 -12.618 9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.243 -10.625 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.178 -10.395 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.746 -12.938 9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.269 -11.664 10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.905 -11.149 12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.947 -12.442 13.302 1.00 0.00 H new ATOM 624 N LEU A 40 -0.629 -10.000 7.409 1.00 0.00 N ATOM 625 CA LEU A 40 -1.638 -8.987 7.118 1.00 0.00 C ATOM 626 C LEU A 40 -2.928 -9.631 6.622 1.00 0.00 C ATOM 627 O LEU A 40 -4.021 -9.272 7.060 1.00 0.00 O ATOM 628 CB LEU A 40 -1.112 -8.003 6.071 1.00 0.00 C ATOM 629 CG LEU A 40 -0.267 -6.845 6.604 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.473 -6.158 5.468 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.141 -5.849 7.353 1.00 0.00 C ATOM 0 H LEU A 40 0.109 -10.074 6.708 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.854 -8.448 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.516 -8.558 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.963 -7.587 5.532 1.00 0.00 H new ATOM 0 HG LEU A 40 0.470 -7.247 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.069 -5.337 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.128 -6.876 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.247 -5.768 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.524 -5.031 7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.900 -5.452 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.626 -6.349 8.192 1.00 0.00 H new ATOM 643 N ALA A 41 -2.794 -10.587 5.709 1.00 0.00 N ATOM 644 CA ALA A 41 -3.950 -11.286 5.158 1.00 0.00 C ATOM 645 C ALA A 41 -4.948 -11.644 6.254 1.00 0.00 C ATOM 646 O ALA A 41 -6.136 -11.822 5.987 1.00 0.00 O ATOM 647 CB ALA A 41 -3.506 -12.537 4.415 1.00 0.00 C ATOM 0 H ALA A 41 -1.897 -10.896 5.335 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.447 -10.618 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.379 -13.048 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.838 -12.258 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.983 -13.202 5.102 1.00 0.00 H new ATOM 653 N GLN A 42 -4.457 -11.749 7.484 1.00 0.00 N ATOM 654 CA GLN A 42 -5.307 -12.089 8.619 1.00 0.00 C ATOM 655 C GLN A 42 -5.857 -10.831 9.283 1.00 0.00 C ATOM 656 O GLN A 42 -7.064 -10.705 9.497 1.00 0.00 O ATOM 657 CB GLN A 42 -4.525 -12.917 9.639 1.00 0.00 C ATOM 658 CG GLN A 42 -4.234 -14.335 9.176 1.00 0.00 C ATOM 659 CD GLN A 42 -4.130 -15.316 10.328 1.00 0.00 C ATOM 660 OE1 GLN A 42 -3.628 -14.980 11.402 1.00 0.00 O ATOM 661 NE2 GLN A 42 -4.606 -16.536 10.112 1.00 0.00 N ATOM 0 H GLN A 42 -3.475 -11.604 7.720 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.145 -12.679 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.583 -12.414 9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.088 -12.956 10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.022 -14.660 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.302 -14.344 8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.014 -16.772 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.564 -17.238 10.851 1.00 0.00 H new ATOM 670 N LYS A 43 -4.966 -9.900 9.608 1.00 0.00 N ATOM 671 CA LYS A 43 -5.361 -8.651 10.246 1.00 0.00 C ATOM 672 C LYS A 43 -6.414 -7.925 9.416 1.00 0.00 C ATOM 673 O LYS A 43 -7.148 -7.077 9.927 1.00 0.00 O ATOM 674 CB LYS A 43 -4.141 -7.748 10.444 1.00 0.00 C ATOM 675 CG LYS A 43 -3.227 -8.198 11.570 1.00 0.00 C ATOM 676 CD LYS A 43 -2.089 -7.216 11.792 1.00 0.00 C ATOM 677 CE LYS A 43 -0.992 -7.819 12.655 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.464 -8.089 14.042 1.00 0.00 N ATOM 0 H LYS A 43 -3.964 -9.988 9.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.792 -8.889 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.570 -7.714 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.480 -6.732 10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.804 -8.301 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.819 -9.182 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.673 -6.916 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.473 -6.314 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.643 -8.747 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.140 -7.140 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.683 -8.484 14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.790 -7.202 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.250 -8.770 14.015 1.00 0.00 H new ATOM 692 N THR A 44 -6.487 -8.263 8.133 1.00 0.00 N ATOM 693 CA THR A 44 -7.451 -7.644 7.231 1.00 0.00 C ATOM 694 C THR A 44 -8.427 -8.676 6.678 1.00 0.00 C ATOM 695 O THR A 44 -9.594 -8.373 6.433 1.00 0.00 O ATOM 696 CB THR A 44 -6.749 -6.936 6.058 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.146 -7.904 5.192 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.689 -5.970 6.565 1.00 0.00 C ATOM 0 H THR A 44 -5.889 -8.963 7.694 1.00 0.00 H new ATOM 0 HA THR A 44 -8.000 -6.905 7.814 1.00 0.00 H new ATOM 0 HB THR A 44 -7.497 -6.370 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.465 -8.407 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.207 -5.482 5.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.156 -5.217 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.943 -6.518 7.141 1.00 0.00 H new ATOM 706 N GLY A 45 -7.942 -9.899 6.484 1.00 0.00 N ATOM 707 CA GLY A 45 -8.786 -10.957 5.961 1.00 0.00 C ATOM 708 C GLY A 45 -8.582 -11.181 4.476 1.00 0.00 C ATOM 709 O GLY A 45 -8.909 -12.246 3.949 1.00 0.00 O ATOM 0 H GLY A 45 -6.980 -10.175 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.577 -11.883 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.831 -10.710 6.148 1.00 0.00 H new ATOM 713 N LEU A 46 -8.039 -10.176 3.796 1.00 0.00 N ATOM 714 CA LEU A 46 -7.793 -10.266 2.361 1.00 0.00 C ATOM 715 C LEU A 46 -6.771 -11.356 2.052 1.00 0.00 C ATOM 716 O LEU A 46 -6.207 -11.970 2.960 1.00 0.00 O ATOM 717 CB LEU A 46 -7.300 -8.923 1.822 1.00 0.00 C ATOM 718 CG LEU A 46 -8.096 -7.692 2.259 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.323 -6.420 1.949 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.458 -7.670 1.583 1.00 0.00 C ATOM 0 H LEU A 46 -7.761 -9.289 4.216 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.733 -10.524 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.263 -8.789 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.306 -8.967 0.733 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.250 -7.745 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.904 -5.554 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.372 -6.433 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.138 -6.359 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.010 -6.787 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.327 -7.641 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.015 -8.566 1.857 1.00 0.00 H new ATOM 732 N THR A 47 -6.535 -11.591 0.765 1.00 0.00 N ATOM 733 CA THR A 47 -5.581 -12.606 0.337 1.00 0.00 C ATOM 734 C THR A 47 -4.186 -12.014 0.170 1.00 0.00 C ATOM 735 O THR A 47 -4.021 -10.796 0.103 1.00 0.00 O ATOM 736 CB THR A 47 -6.011 -13.257 -0.991 1.00 0.00 C ATOM 737 OG1 THR A 47 -6.130 -12.257 -2.010 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.337 -13.986 -0.832 1.00 0.00 C ATOM 0 H THR A 47 -6.991 -11.092 0.001 1.00 0.00 H new ATOM 0 HA THR A 47 -5.559 -13.367 1.117 1.00 0.00 H new ATOM 0 HB THR A 47 -5.249 -13.981 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.402 -12.679 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.620 -14.438 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.236 -14.765 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.106 -13.278 -0.523 1.00 0.00 H new ATOM 746 N LYS A 48 -3.183 -12.883 0.102 1.00 0.00 N ATOM 747 CA LYS A 48 -1.801 -12.446 -0.058 1.00 0.00 C ATOM 748 C LYS A 48 -1.645 -11.582 -1.305 1.00 0.00 C ATOM 749 O LYS A 48 -1.040 -10.511 -1.258 1.00 0.00 O ATOM 750 CB LYS A 48 -0.869 -13.658 -0.144 1.00 0.00 C ATOM 751 CG LYS A 48 0.565 -13.350 0.250 1.00 0.00 C ATOM 752 CD LYS A 48 1.358 -14.621 0.504 1.00 0.00 C ATOM 753 CE LYS A 48 2.831 -14.434 0.177 1.00 0.00 C ATOM 754 NZ LYS A 48 3.600 -13.929 1.350 1.00 0.00 N ATOM 0 H LYS A 48 -3.302 -13.895 0.155 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.531 -11.848 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.253 -14.448 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.882 -14.045 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.045 -12.773 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.572 -12.730 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.251 -14.915 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.950 -15.432 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.253 -15.383 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.933 -13.734 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.818 -12.921 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.033 -14.047 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.486 -14.466 1.441 1.00 0.00 H new ATOM 768 N ARG A 49 -2.195 -12.054 -2.420 1.00 0.00 N ATOM 769 CA ARG A 49 -2.116 -11.324 -3.679 1.00 0.00 C ATOM 770 C ARG A 49 -2.689 -9.918 -3.528 1.00 0.00 C ATOM 771 O ARG A 49 -2.014 -8.927 -3.810 1.00 0.00 O ATOM 772 CB ARG A 49 -2.868 -12.077 -4.778 1.00 0.00 C ATOM 773 CG ARG A 49 -2.839 -11.376 -6.126 1.00 0.00 C ATOM 774 CD ARG A 49 -1.500 -11.562 -6.823 1.00 0.00 C ATOM 775 NE ARG A 49 -1.412 -10.782 -8.055 1.00 0.00 N ATOM 776 CZ ARG A 49 -0.358 -10.802 -8.862 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.691 -11.559 -8.571 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.351 -10.064 -9.966 1.00 0.00 N ATOM 0 H ARG A 49 -2.700 -12.939 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.065 -11.242 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.436 -13.072 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.905 -12.212 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.637 -11.767 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.034 -10.312 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.696 -11.267 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.353 -12.618 -7.051 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.203 -10.190 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.690 -12.129 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.499 -11.572 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.156 -9.481 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.459 -10.080 -10.585 1.00 0.00 H new ATOM 792 N VAL A 50 -3.940 -9.839 -3.083 1.00 0.00 N ATOM 793 CA VAL A 50 -4.604 -8.554 -2.895 1.00 0.00 C ATOM 794 C VAL A 50 -3.685 -7.558 -2.197 1.00 0.00 C ATOM 795 O VAL A 50 -3.575 -6.402 -2.611 1.00 0.00 O ATOM 796 CB VAL A 50 -5.897 -8.707 -2.072 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.348 -7.359 -1.532 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.991 -9.346 -2.914 1.00 0.00 C ATOM 0 H VAL A 50 -4.513 -10.649 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.855 -8.178 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.693 -9.361 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.263 -7.486 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.569 -6.944 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.536 -6.679 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.897 -9.447 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.196 -8.719 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.665 -10.331 -3.247 1.00 0.00 H new ATOM 808 N LEU A 51 -3.027 -8.011 -1.135 1.00 0.00 N ATOM 809 CA LEU A 51 -2.116 -7.159 -0.379 1.00 0.00 C ATOM 810 C LEU A 51 -0.942 -6.713 -1.245 1.00 0.00 C ATOM 811 O LEU A 51 -0.668 -5.520 -1.368 1.00 0.00 O ATOM 812 CB LEU A 51 -1.602 -7.900 0.857 1.00 0.00 C ATOM 813 CG LEU A 51 -2.670 -8.462 1.796 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.092 -9.571 2.659 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.250 -7.355 2.665 1.00 0.00 C ATOM 0 H LEU A 51 -3.108 -8.963 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.665 -6.273 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.969 -8.723 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.968 -7.220 1.426 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.474 -8.882 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.867 -9.958 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.725 -10.375 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.269 -9.177 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.009 -7.772 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.455 -6.906 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.702 -6.593 2.030 1.00 0.00 H new ATOM 827 N GLN A 52 -0.254 -7.680 -1.842 1.00 0.00 N ATOM 828 CA GLN A 52 0.890 -7.387 -2.698 1.00 0.00 C ATOM 829 C GLN A 52 0.568 -6.256 -3.668 1.00 0.00 C ATOM 830 O GLN A 52 1.284 -5.256 -3.734 1.00 0.00 O ATOM 831 CB GLN A 52 1.308 -8.638 -3.474 1.00 0.00 C ATOM 832 CG GLN A 52 1.819 -9.762 -2.587 1.00 0.00 C ATOM 833 CD GLN A 52 2.784 -10.681 -3.307 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.592 -11.897 -3.344 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.831 -10.104 -3.887 1.00 0.00 N ATOM 0 H GLN A 52 -0.468 -8.673 -1.749 1.00 0.00 H new ATOM 0 HA GLN A 52 1.716 -7.071 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.456 -9.000 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.085 -8.369 -4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.313 -9.335 -1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.973 -10.344 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.951 -9.093 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.514 -10.672 -4.388 1.00 0.00 H new ATOM 844 N VAL A 53 -0.515 -6.419 -4.422 1.00 0.00 N ATOM 845 CA VAL A 53 -0.933 -5.413 -5.390 1.00 0.00 C ATOM 846 C VAL A 53 -1.227 -4.083 -4.705 1.00 0.00 C ATOM 847 O VAL A 53 -0.569 -3.077 -4.972 1.00 0.00 O ATOM 848 CB VAL A 53 -2.182 -5.865 -6.166 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.638 -4.776 -7.128 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.906 -7.162 -6.911 1.00 0.00 C ATOM 0 H VAL A 53 -1.119 -7.240 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.108 -5.284 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.985 -6.046 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.523 -5.114 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.878 -3.873 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.840 -4.561 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.800 -7.467 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.088 -7.010 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.632 -7.940 -6.198 1.00 0.00 H new ATOM 860 N TRP A 54 -2.219 -4.085 -3.821 1.00 0.00 N ATOM 861 CA TRP A 54 -2.600 -2.878 -3.097 1.00 0.00 C ATOM 862 C TRP A 54 -1.369 -2.080 -2.683 1.00 0.00 C ATOM 863 O TRP A 54 -1.229 -0.908 -3.035 1.00 0.00 O ATOM 864 CB TRP A 54 -3.429 -3.238 -1.863 1.00 0.00 C ATOM 865 CG TRP A 54 -3.869 -2.044 -1.073 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.047 -1.364 -1.202 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.136 -1.385 -0.035 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.091 -0.324 -0.305 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.931 -0.316 0.423 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.886 -1.597 0.555 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.514 0.538 1.440 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.475 -0.748 1.564 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.287 0.309 2.000 1.00 0.00 C ATOM 0 H TRP A 54 -2.774 -4.909 -3.589 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.203 -2.261 -3.763 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.308 -3.801 -2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.843 -3.894 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.829 -1.608 -1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.862 0.335 -0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.254 -2.409 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.138 1.353 1.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.511 -0.901 2.026 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.937 0.954 2.792 1.00 0.00 H new ATOM 884 N PHE A 55 -0.478 -2.721 -1.932 1.00 0.00 N ATOM 885 CA PHE A 55 0.741 -2.069 -1.469 1.00 0.00 C ATOM 886 C PHE A 55 1.541 -1.514 -2.644 1.00 0.00 C ATOM 887 O PHE A 55 1.922 -0.344 -2.650 1.00 0.00 O ATOM 888 CB PHE A 55 1.600 -3.054 -0.674 1.00 0.00 C ATOM 889 CG PHE A 55 1.295 -3.063 0.797 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.282 -3.863 1.303 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.020 -2.272 1.673 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.000 -3.873 2.656 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.742 -2.279 3.027 1.00 0.00 C ATOM 894 CZ PHE A 55 0.729 -3.080 3.519 1.00 0.00 C ATOM 0 H PHE A 55 -0.578 -3.691 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 55 0.456 -1.240 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.453 -4.057 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.651 -2.805 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.293 -4.485 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.812 -1.643 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.791 -4.501 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.316 -1.659 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.508 -3.085 4.576 1.00 0.00 H new ATOM 904 N GLN A 56 1.791 -2.362 -3.636 1.00 0.00 N ATOM 905 CA GLN A 56 2.546 -1.956 -4.816 1.00 0.00 C ATOM 906 C GLN A 56 1.932 -0.715 -5.455 1.00 0.00 C ATOM 907 O GLN A 56 2.645 0.169 -5.928 1.00 0.00 O ATOM 908 CB GLN A 56 2.595 -3.097 -5.833 1.00 0.00 C ATOM 909 CG GLN A 56 3.541 -4.221 -5.442 1.00 0.00 C ATOM 910 CD GLN A 56 3.525 -5.369 -6.433 1.00 0.00 C ATOM 911 OE1 GLN A 56 3.945 -5.219 -7.580 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.039 -6.524 -5.993 1.00 0.00 N ATOM 0 H GLN A 56 1.482 -3.334 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 56 3.561 -1.715 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.592 -3.505 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.899 -2.697 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.554 -3.827 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.267 -4.594 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.702 -6.603 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.003 -7.332 -6.614 1.00 0.00 H new ATOM 921 N ASN A 57 0.603 -0.656 -5.466 1.00 0.00 N ATOM 922 CA ASN A 57 -0.106 0.476 -6.048 1.00 0.00 C ATOM 923 C ASN A 57 0.166 1.753 -5.259 1.00 0.00 C ATOM 924 O ASN A 57 0.283 2.836 -5.832 1.00 0.00 O ATOM 925 CB ASN A 57 -1.610 0.198 -6.086 1.00 0.00 C ATOM 926 CG ASN A 57 -2.033 -0.529 -7.348 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.882 -0.050 -8.099 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.439 -1.693 -7.587 1.00 0.00 N ATOM 0 H ASN A 57 -0.003 -1.379 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 57 0.257 0.615 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.889 -0.397 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.153 1.141 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.682 -2.228 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.740 -2.052 -6.936 1.00 0.00 H new ATOM 935 N ALA A 58 0.267 1.617 -3.942 1.00 0.00 N ATOM 936 CA ALA A 58 0.528 2.759 -3.074 1.00 0.00 C ATOM 937 C ALA A 58 1.801 3.486 -3.491 1.00 0.00 C ATOM 938 O ALA A 58 1.791 4.696 -3.718 1.00 0.00 O ATOM 939 CB ALA A 58 0.627 2.308 -1.623 1.00 0.00 C ATOM 0 H ALA A 58 0.172 0.728 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.305 3.455 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.822 3.171 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.310 1.840 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.440 1.590 -1.520 1.00 0.00 H new ATOM 945 N ARG A 59 2.897 2.740 -3.591 1.00 0.00 N ATOM 946 CA ARG A 59 4.179 3.316 -3.980 1.00 0.00 C ATOM 947 C ARG A 59 4.025 4.207 -5.209 1.00 0.00 C ATOM 948 O ARG A 59 4.568 5.310 -5.260 1.00 0.00 O ATOM 949 CB ARG A 59 5.194 2.207 -4.266 1.00 0.00 C ATOM 950 CG ARG A 59 5.978 1.769 -3.040 1.00 0.00 C ATOM 951 CD ARG A 59 7.109 2.736 -2.726 1.00 0.00 C ATOM 952 NE ARG A 59 8.252 2.548 -3.616 1.00 0.00 N ATOM 953 CZ ARG A 59 9.489 2.924 -3.313 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.742 3.506 -2.148 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.477 2.719 -4.175 1.00 0.00 N ATOM 0 H ARG A 59 2.923 1.737 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 59 4.540 3.927 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.671 1.345 -4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.892 2.552 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.308 1.701 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.386 0.772 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.746 3.760 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.427 2.598 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 59 8.091 2.103 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.986 3.666 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.693 3.794 -1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.287 2.272 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.427 3.008 -3.941 1.00 0.00 H new