USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 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 Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0289) USER MOD Single : A 16 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0034) USER MOD Single : A 18 GLN : amide:sc= -1.3! X(o=-1.3!,f=-0.96) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -154:sc= -0.278 (180deg=-0.632) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 97:sc= 1.29 USER MOD Single : A 25 TYR OH : rot 165:sc= -0.334 USER MOD Single : A 29 ASN : amide:sc= -5.14! C(o=-5.1!,f=-18!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -2.19 K(o=-2.2,f=-8.8!) USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.793) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc=-0.00803 X(o=-0.008,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.324 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -6.51! C(o=-6.5!,f=-4!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.640 -1.302 -0.455 1.00 0.00 N ATOM 179 CA PHE A 14 -12.027 -1.743 0.791 1.00 0.00 C ATOM 180 C PHE A 14 -12.635 -1.010 1.985 1.00 0.00 C ATOM 181 O PHE A 14 -12.938 0.180 1.909 1.00 0.00 O ATOM 182 CB PHE A 14 -10.516 -1.509 0.753 1.00 0.00 C ATOM 183 CG PHE A 14 -9.818 -2.282 -0.331 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.919 -3.662 -0.391 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.060 -1.626 -1.288 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.278 -4.375 -1.387 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.418 -2.334 -2.286 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.526 -3.710 -2.336 1.00 0.00 C ATOM 0 HA PHE A 14 -12.220 -2.810 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.324 -0.445 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.089 -1.784 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.505 -4.187 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.970 -0.550 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.365 -5.451 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.832 -1.811 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.024 -4.265 -3.115 1.00 0.00 H new ATOM 198 N LYS A 15 -12.812 -1.732 3.087 1.00 0.00 N ATOM 199 CA LYS A 15 -13.384 -1.154 4.297 1.00 0.00 C ATOM 200 C LYS A 15 -12.336 -0.354 5.064 1.00 0.00 C ATOM 201 O LYS A 15 -11.145 -0.665 5.016 1.00 0.00 O ATOM 202 CB LYS A 15 -13.955 -2.256 5.192 1.00 0.00 C ATOM 203 CG LYS A 15 -14.785 -3.282 4.440 1.00 0.00 C ATOM 204 CD LYS A 15 -16.243 -2.865 4.351 1.00 0.00 C ATOM 205 CE LYS A 15 -17.158 -4.068 4.190 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.340 -4.802 5.473 1.00 0.00 N ATOM 0 H LYS A 15 -12.567 -2.719 3.167 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.188 -0.480 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.133 -2.765 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.571 -1.800 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.381 -3.412 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.712 -4.247 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.520 -2.313 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.378 -2.188 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.129 -3.739 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.743 -4.743 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.060 -5.542 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.439 -5.239 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.648 -4.138 6.212 1.00 0.00 H new ATOM 220 N HIS A 16 -12.787 0.676 5.772 1.00 0.00 N ATOM 221 CA HIS A 16 -11.888 1.520 6.552 1.00 0.00 C ATOM 222 C HIS A 16 -11.231 0.722 7.674 1.00 0.00 C ATOM 223 O HIS A 16 -10.207 1.131 8.224 1.00 0.00 O ATOM 224 CB HIS A 16 -12.649 2.711 7.136 1.00 0.00 C ATOM 225 CG HIS A 16 -13.352 2.400 8.422 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.591 1.798 8.476 1.00 0.00 N ATOM 227 CD2 HIS A 16 -12.980 2.610 9.707 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.952 1.652 9.738 1.00 0.00 C ATOM 229 NE2 HIS A 16 -13.993 2.137 10.505 1.00 0.00 N ATOM 0 H HIS A 16 -13.769 0.947 5.822 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.108 1.889 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.951 3.532 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.381 3.058 6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.059 3.064 10.042 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.875 1.211 10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.003 2.157 11.525 1.00 0.00 H new ATOM 238 N HIS A 17 -11.826 -0.418 8.009 1.00 0.00 N ATOM 239 CA HIS A 17 -11.297 -1.274 9.067 1.00 0.00 C ATOM 240 C HIS A 17 -9.991 -1.931 8.632 1.00 0.00 C ATOM 241 O HIS A 17 -8.932 -1.659 9.197 1.00 0.00 O ATOM 242 CB HIS A 17 -12.321 -2.346 9.443 1.00 0.00 C ATOM 243 CG HIS A 17 -11.737 -3.482 10.225 1.00 0.00 C ATOM 244 ND1 HIS A 17 -11.552 -3.438 11.591 1.00 0.00 N ATOM 245 CD2 HIS A 17 -11.299 -4.699 9.826 1.00 0.00 C ATOM 246 CE1 HIS A 17 -11.023 -4.577 11.999 1.00 0.00 C ATOM 247 NE2 HIS A 17 -10.860 -5.361 10.948 1.00 0.00 N ATOM 0 H HIS A 17 -12.674 -0.771 7.565 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.097 -0.651 9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.119 -1.886 10.026 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.776 -2.738 8.533 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.295 -5.079 8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.767 -4.825 13.018 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.472 -6.304 10.966 1.00 0.00 H new ATOM 256 N GLN A 18 -10.075 -2.796 7.627 1.00 0.00 N ATOM 257 CA GLN A 18 -8.899 -3.491 7.117 1.00 0.00 C ATOM 258 C GLN A 18 -7.823 -2.500 6.685 1.00 0.00 C ATOM 259 O GLN A 18 -6.664 -2.613 7.082 1.00 0.00 O ATOM 260 CB GLN A 18 -9.282 -4.392 5.943 1.00 0.00 C ATOM 261 CG GLN A 18 -10.465 -3.876 5.140 1.00 0.00 C ATOM 262 CD GLN A 18 -10.402 -4.282 3.681 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.118 -5.185 3.245 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.545 -3.617 2.917 1.00 0.00 N ATOM 0 H GLN A 18 -10.945 -3.032 7.150 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.496 -4.107 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.422 -4.497 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.517 -5.387 6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.389 -4.253 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.500 -2.789 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.971 -2.876 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.460 -3.847 1.927 1.00 0.00 H new ATOM 273 N LEU A 19 -8.217 -1.530 5.867 1.00 0.00 N ATOM 274 CA LEU A 19 -7.287 -0.518 5.379 1.00 0.00 C ATOM 275 C LEU A 19 -6.544 0.144 6.535 1.00 0.00 C ATOM 276 O LEU A 19 -5.348 0.418 6.442 1.00 0.00 O ATOM 277 CB LEU A 19 -8.035 0.542 4.567 1.00 0.00 C ATOM 278 CG LEU A 19 -8.162 0.272 3.067 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.918 1.401 2.384 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.789 0.090 2.439 1.00 0.00 C ATOM 0 H LEU A 19 -9.173 -1.423 5.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.557 -1.012 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.037 0.649 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.530 1.498 4.702 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.726 -0.651 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.999 1.192 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.916 1.483 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.382 2.339 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.900 -0.101 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.199 0.994 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.283 -0.754 2.908 1.00 0.00 H new ATOM 292 N ARG A 20 -7.261 0.394 7.625 1.00 0.00 N ATOM 293 CA ARG A 20 -6.670 1.021 8.802 1.00 0.00 C ATOM 294 C ARG A 20 -5.369 0.327 9.191 1.00 0.00 C ATOM 295 O ARG A 20 -4.391 0.978 9.563 1.00 0.00 O ATOM 296 CB ARG A 20 -7.651 0.984 9.974 1.00 0.00 C ATOM 297 CG ARG A 20 -7.147 1.703 11.214 1.00 0.00 C ATOM 298 CD ARG A 20 -7.308 3.210 11.090 1.00 0.00 C ATOM 299 NE ARG A 20 -7.280 3.873 12.390 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.794 5.077 12.612 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.373 5.747 11.625 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.729 5.614 13.824 1.00 0.00 N ATOM 0 H ARG A 20 -8.252 0.172 7.718 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.449 2.060 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.594 1.434 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.862 -0.055 10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.693 1.349 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.097 1.460 11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.511 3.609 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.250 3.434 10.589 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.842 3.385 13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.424 5.338 10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.767 6.672 11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.284 5.102 14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.124 6.539 13.994 1.00 0.00 H new ATOM 316 N THR A 21 -5.363 -1.000 9.107 1.00 0.00 N ATOM 317 CA THR A 21 -4.183 -1.783 9.452 1.00 0.00 C ATOM 318 C THR A 21 -3.147 -1.739 8.334 1.00 0.00 C ATOM 319 O THR A 21 -1.944 -1.705 8.591 1.00 0.00 O ATOM 320 CB THR A 21 -4.549 -3.252 9.739 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.322 -3.337 10.941 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.296 -4.105 9.875 1.00 0.00 C ATOM 0 H THR A 21 -6.163 -1.555 8.803 1.00 0.00 H new ATOM 0 HA THR A 21 -3.760 -1.338 10.353 1.00 0.00 H new ATOM 0 HB THR A 21 -5.136 -3.628 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.552 -4.273 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.579 -5.138 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.723 -4.061 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.687 -3.728 10.697 1.00 0.00 H new ATOM 330 N MET A 22 -3.622 -1.739 7.093 1.00 0.00 N ATOM 331 CA MET A 22 -2.736 -1.696 5.936 1.00 0.00 C ATOM 332 C MET A 22 -2.045 -0.340 5.829 1.00 0.00 C ATOM 333 O MET A 22 -0.823 -0.245 5.943 1.00 0.00 O ATOM 334 CB MET A 22 -3.521 -1.984 4.654 1.00 0.00 C ATOM 335 CG MET A 22 -4.263 -3.310 4.680 1.00 0.00 C ATOM 336 SD MET A 22 -5.756 -3.290 3.671 1.00 0.00 S ATOM 337 CE MET A 22 -5.052 -3.324 2.024 1.00 0.00 C ATOM 0 H MET A 22 -4.615 -1.768 6.863 1.00 0.00 H new ATOM 0 HA MET A 22 -1.973 -2.463 6.066 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.237 -1.179 4.488 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.834 -1.978 3.808 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.600 -4.100 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.528 -3.554 5.709 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.748 -2.867 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.114 -2.769 2.018 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.865 -4.357 1.729 1.00 0.00 H new ATOM 347 N LYS A 23 -2.835 0.706 5.611 1.00 0.00 N ATOM 348 CA LYS A 23 -2.300 2.057 5.491 1.00 0.00 C ATOM 349 C LYS A 23 -1.292 2.343 6.599 1.00 0.00 C ATOM 350 O LYS A 23 -0.193 2.834 6.340 1.00 0.00 O ATOM 351 CB LYS A 23 -3.434 3.082 5.540 1.00 0.00 C ATOM 352 CG LYS A 23 -4.202 3.203 4.236 1.00 0.00 C ATOM 353 CD LYS A 23 -5.176 4.369 4.267 1.00 0.00 C ATOM 354 CE LYS A 23 -6.240 4.237 3.188 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.816 4.874 1.911 1.00 0.00 N ATOM 0 H LYS A 23 -3.848 0.644 5.514 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.789 2.136 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.127 2.807 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.021 4.056 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.502 3.335 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.747 2.278 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.653 4.419 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.631 5.303 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.453 3.182 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.166 4.696 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.568 4.763 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.637 5.886 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.946 4.419 1.568 1.00 0.00 H new ATOM 369 N SER A 24 -1.672 2.034 7.833 1.00 0.00 N ATOM 370 CA SER A 24 -0.803 2.261 8.982 1.00 0.00 C ATOM 371 C SER A 24 0.543 1.567 8.789 1.00 0.00 C ATOM 372 O SER A 24 1.573 2.039 9.273 1.00 0.00 O ATOM 373 CB SER A 24 -1.470 1.756 10.262 1.00 0.00 C ATOM 374 OG SER A 24 -2.543 2.599 10.645 1.00 0.00 O ATOM 0 H SER A 24 -2.577 1.625 8.064 1.00 0.00 H new ATOM 0 HA SER A 24 -0.631 3.334 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.838 0.741 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.735 1.710 11.065 1.00 0.00 H new ATOM 0 HG SER A 24 -3.387 2.223 10.318 1.00 0.00 H new ATOM 380 N TYR A 25 0.527 0.445 8.079 1.00 0.00 N ATOM 381 CA TYR A 25 1.745 -0.316 7.824 1.00 0.00 C ATOM 382 C TYR A 25 2.583 0.348 6.735 1.00 0.00 C ATOM 383 O TYR A 25 3.800 0.476 6.865 1.00 0.00 O ATOM 384 CB TYR A 25 1.399 -1.749 7.414 1.00 0.00 C ATOM 385 CG TYR A 25 2.605 -2.653 7.298 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.482 -2.540 6.226 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.870 -3.619 8.261 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.585 -3.365 6.116 1.00 0.00 C ATOM 389 CE2 TYR A 25 3.970 -4.446 8.160 1.00 0.00 C ATOM 390 CZ TYR A 25 4.825 -4.316 7.085 1.00 0.00 C ATOM 391 OH TYR A 25 5.923 -5.138 6.979 1.00 0.00 O ATOM 0 H TYR A 25 -0.316 0.042 7.670 1.00 0.00 H new ATOM 0 HA TYR A 25 2.329 -0.339 8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.708 -2.170 8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.877 -1.728 6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.298 -1.795 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.203 -3.724 9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.256 -3.265 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.161 -5.191 8.918 1.00 0.00 H new ATOM 0 HH TYR A 25 6.086 -5.578 7.839 1.00 0.00 H new ATOM 401 N PHE A 26 1.922 0.770 5.662 1.00 0.00 N ATOM 402 CA PHE A 26 2.605 1.420 4.550 1.00 0.00 C ATOM 403 C PHE A 26 3.575 2.484 5.056 1.00 0.00 C ATOM 404 O PHE A 26 4.598 2.756 4.426 1.00 0.00 O ATOM 405 CB PHE A 26 1.587 2.053 3.599 1.00 0.00 C ATOM 406 CG PHE A 26 2.208 2.650 2.368 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.893 1.852 1.466 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.107 4.008 2.114 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.465 2.399 0.331 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.676 4.560 0.983 1.00 0.00 C ATOM 411 CZ PHE A 26 3.358 3.754 0.090 1.00 0.00 C ATOM 0 H PHE A 26 0.914 0.673 5.539 1.00 0.00 H new ATOM 0 HA PHE A 26 3.173 0.662 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.862 1.296 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.037 2.829 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.981 0.792 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.577 4.643 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.995 1.766 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.588 5.620 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.806 4.184 -0.794 1.00 0.00 H new ATOM 421 N ALA A 27 3.248 3.081 6.197 1.00 0.00 N ATOM 422 CA ALA A 27 4.090 4.113 6.788 1.00 0.00 C ATOM 423 C ALA A 27 5.279 3.500 7.518 1.00 0.00 C ATOM 424 O ALA A 27 6.355 4.096 7.584 1.00 0.00 O ATOM 425 CB ALA A 27 3.275 4.980 7.737 1.00 0.00 C ATOM 0 H ALA A 27 2.405 2.867 6.731 1.00 0.00 H new ATOM 0 HA ALA A 27 4.475 4.738 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.917 5.747 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.462 5.455 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.862 4.360 8.532 1.00 0.00 H new ATOM 431 N ILE A 28 5.080 2.306 8.067 1.00 0.00 N ATOM 432 CA ILE A 28 6.138 1.612 8.791 1.00 0.00 C ATOM 433 C ILE A 28 7.101 0.922 7.831 1.00 0.00 C ATOM 434 O ILE A 28 8.317 1.069 7.944 1.00 0.00 O ATOM 435 CB ILE A 28 5.561 0.566 9.762 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.527 1.211 10.687 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.678 -0.076 10.573 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.455 0.253 11.158 1.00 0.00 C ATOM 0 H ILE A 28 4.196 1.799 8.024 1.00 0.00 H new ATOM 0 HA ILE A 28 6.678 2.367 9.362 1.00 0.00 H new ATOM 0 HB ILE A 28 5.065 -0.212 9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.038 1.627 11.555 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.055 2.044 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.255 -0.813 11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.381 -0.566 9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.199 0.691 11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.757 0.779 11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.918 -0.144 10.297 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.916 -0.567 11.708 1.00 0.00 H new ATOM 450 N ASN A 29 6.547 0.170 6.885 1.00 0.00 N ATOM 451 CA ASN A 29 7.357 -0.542 5.903 1.00 0.00 C ATOM 452 C ASN A 29 6.725 -0.464 4.517 1.00 0.00 C ATOM 453 O ASN A 29 5.523 -0.681 4.358 1.00 0.00 O ATOM 454 CB ASN A 29 7.527 -2.005 6.317 1.00 0.00 C ATOM 455 CG ASN A 29 7.869 -2.902 5.143 1.00 0.00 C ATOM 456 OD1 ASN A 29 7.133 -2.962 4.158 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.990 -3.607 5.244 1.00 0.00 N ATOM 0 H ASN A 29 5.541 0.038 6.778 1.00 0.00 H new ATOM 0 HA ASN A 29 8.337 -0.066 5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.314 -2.078 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.607 -2.357 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.271 -4.229 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.570 -3.526 6.079 1.00 0.00 H new ATOM 464 N HIS A 30 7.543 -0.156 3.516 1.00 0.00 N ATOM 465 CA HIS A 30 7.065 -0.050 2.142 1.00 0.00 C ATOM 466 C HIS A 30 7.060 -1.415 1.463 1.00 0.00 C ATOM 467 O HIS A 30 6.071 -1.810 0.848 1.00 0.00 O ATOM 468 CB HIS A 30 7.937 0.925 1.350 1.00 0.00 C ATOM 469 CG HIS A 30 8.276 2.173 2.103 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.572 2.585 2.333 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.480 3.104 2.679 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.558 3.714 3.019 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.300 4.051 3.241 1.00 0.00 N ATOM 0 H HIS A 30 8.540 0.025 3.630 1.00 0.00 H new ATOM 0 HA HIS A 30 6.043 0.328 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.860 0.422 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.421 1.195 0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.400 3.102 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.427 4.267 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.989 4.880 3.747 1.00 0.00 H new ATOM 482 N ASN A 31 8.174 -2.133 1.578 1.00 0.00 N ATOM 483 CA ASN A 31 8.298 -3.454 0.973 1.00 0.00 C ATOM 484 C ASN A 31 8.288 -4.544 2.041 1.00 0.00 C ATOM 485 O ASN A 31 9.328 -5.058 2.448 1.00 0.00 O ATOM 486 CB ASN A 31 9.585 -3.542 0.151 1.00 0.00 C ATOM 487 CG ASN A 31 9.701 -2.422 -0.865 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.015 -2.423 -1.887 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.572 -1.459 -0.587 1.00 0.00 N ATOM 0 H ASN A 31 9.003 -1.822 2.084 1.00 0.00 H new ATOM 0 HA ASN A 31 7.443 -3.607 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.444 -3.511 0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.618 -4.502 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.693 -0.679 -1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.120 -1.499 0.273 1.00 0.00 H new ATOM 496 N PRO A 32 7.082 -4.905 2.504 1.00 0.00 N ATOM 497 CA PRO A 32 6.905 -5.939 3.529 1.00 0.00 C ATOM 498 C PRO A 32 7.233 -7.334 3.009 1.00 0.00 C ATOM 499 O PRO A 32 6.847 -7.699 1.897 1.00 0.00 O ATOM 500 CB PRO A 32 5.421 -5.836 3.885 1.00 0.00 C ATOM 501 CG PRO A 32 4.779 -5.259 2.670 1.00 0.00 C ATOM 502 CD PRO A 32 5.798 -4.335 2.063 1.00 0.00 C ATOM 0 HA PRO A 32 7.572 -5.789 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.003 -6.813 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.266 -5.198 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.496 -6.043 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.868 -4.719 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.721 -4.311 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.671 -3.311 2.414 1.00 0.00 H new ATOM 510 N ASP A 33 7.946 -8.110 3.817 1.00 0.00 N ATOM 511 CA ASP A 33 8.323 -9.467 3.438 1.00 0.00 C ATOM 512 C ASP A 33 7.136 -10.417 3.566 1.00 0.00 C ATOM 513 O ASP A 33 6.065 -10.029 4.029 1.00 0.00 O ATOM 514 CB ASP A 33 9.482 -9.958 4.308 1.00 0.00 C ATOM 515 CG ASP A 33 10.766 -9.196 4.044 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.917 -8.653 2.929 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.620 -9.142 4.954 1.00 0.00 O ATOM 0 H ASP A 33 8.275 -7.823 4.739 1.00 0.00 H new ATOM 0 HA ASP A 33 8.642 -9.452 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.212 -9.856 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.648 -11.019 4.123 1.00 0.00 H new ATOM 522 N ALA A 34 7.337 -11.664 3.152 1.00 0.00 N ATOM 523 CA ALA A 34 6.284 -12.670 3.221 1.00 0.00 C ATOM 524 C ALA A 34 5.669 -12.727 4.615 1.00 0.00 C ATOM 525 O ALA A 34 4.472 -12.499 4.788 1.00 0.00 O ATOM 526 CB ALA A 34 6.830 -14.034 2.826 1.00 0.00 C ATOM 0 H ALA A 34 8.219 -12.001 2.766 1.00 0.00 H new ATOM 0 HA ALA A 34 5.500 -12.388 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.033 -14.775 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.214 -13.991 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.635 -14.315 3.506 1.00 0.00 H new ATOM 532 N LYS A 35 6.497 -13.033 5.610 1.00 0.00 N ATOM 533 CA LYS A 35 6.036 -13.119 6.990 1.00 0.00 C ATOM 534 C LYS A 35 5.068 -11.986 7.312 1.00 0.00 C ATOM 535 O LYS A 35 4.008 -12.208 7.899 1.00 0.00 O ATOM 536 CB LYS A 35 7.226 -13.076 7.950 1.00 0.00 C ATOM 537 CG LYS A 35 6.983 -13.816 9.254 1.00 0.00 C ATOM 538 CD LYS A 35 6.209 -12.962 10.244 1.00 0.00 C ATOM 539 CE LYS A 35 5.721 -13.783 11.427 1.00 0.00 C ATOM 540 NZ LYS A 35 4.533 -14.611 11.076 1.00 0.00 N ATOM 0 H LYS A 35 7.491 -13.225 5.485 1.00 0.00 H new ATOM 0 HA LYS A 35 5.512 -14.067 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.097 -13.506 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.466 -12.036 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.431 -14.734 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.938 -14.107 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.844 -12.151 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.357 -12.503 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.525 -14.431 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.468 -13.117 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.820 -14.533 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.128 -14.274 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.821 -15.605 10.974 1.00 0.00 H new ATOM 554 N ASP A 36 5.437 -10.769 6.924 1.00 0.00 N ATOM 555 CA ASP A 36 4.600 -9.601 7.169 1.00 0.00 C ATOM 556 C ASP A 36 3.310 -9.676 6.358 1.00 0.00 C ATOM 557 O ASP A 36 2.230 -9.362 6.859 1.00 0.00 O ATOM 558 CB ASP A 36 5.361 -8.320 6.823 1.00 0.00 C ATOM 559 CG ASP A 36 6.689 -8.221 7.549 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.687 -8.271 8.796 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.728 -8.092 6.869 1.00 0.00 O ATOM 0 H ASP A 36 6.311 -10.567 6.438 1.00 0.00 H new ATOM 0 HA ASP A 36 4.341 -9.586 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.535 -8.283 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.746 -7.456 7.076 1.00 0.00 H new ATOM 566 N LEU A 37 3.430 -10.095 5.103 1.00 0.00 N ATOM 567 CA LEU A 37 2.274 -10.211 4.221 1.00 0.00 C ATOM 568 C LEU A 37 1.253 -11.191 4.789 1.00 0.00 C ATOM 569 O LEU A 37 0.090 -10.843 4.995 1.00 0.00 O ATOM 570 CB LEU A 37 2.714 -10.664 2.828 1.00 0.00 C ATOM 571 CG LEU A 37 3.084 -9.552 1.847 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.804 -10.127 0.635 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.842 -8.785 1.417 1.00 0.00 C ATOM 0 H LEU A 37 4.316 -10.360 4.673 1.00 0.00 H new ATOM 0 HA LEU A 37 1.805 -9.230 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.573 -11.325 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.910 -11.256 2.389 1.00 0.00 H new ATOM 0 HG LEU A 37 3.758 -8.859 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.060 -9.321 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.715 -10.631 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.154 -10.842 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.124 -7.997 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.143 -9.467 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.367 -8.341 2.292 1.00 0.00 H new ATOM 585 N LYS A 38 1.695 -12.418 5.042 1.00 0.00 N ATOM 586 CA LYS A 38 0.822 -13.450 5.589 1.00 0.00 C ATOM 587 C LYS A 38 0.156 -12.972 6.876 1.00 0.00 C ATOM 588 O LYS A 38 -1.014 -13.261 7.122 1.00 0.00 O ATOM 589 CB LYS A 38 1.617 -14.729 5.858 1.00 0.00 C ATOM 590 CG LYS A 38 2.742 -14.547 6.862 1.00 0.00 C ATOM 591 CD LYS A 38 3.326 -15.882 7.293 1.00 0.00 C ATOM 592 CE LYS A 38 2.449 -16.566 8.329 1.00 0.00 C ATOM 593 NZ LYS A 38 2.664 -18.040 8.353 1.00 0.00 N ATOM 0 H LYS A 38 2.654 -12.723 4.877 1.00 0.00 H new ATOM 0 HA LYS A 38 0.045 -13.661 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.937 -15.499 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.035 -15.091 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.526 -13.930 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.368 -14.013 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.436 -16.530 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.324 -15.728 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.661 -16.152 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.401 -16.355 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.048 -18.469 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.437 -18.439 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.658 -18.242 8.584 1.00 0.00 H new ATOM 607 N GLN A 39 0.908 -12.239 7.690 1.00 0.00 N ATOM 608 CA GLN A 39 0.389 -11.721 8.949 1.00 0.00 C ATOM 609 C GLN A 39 -0.766 -10.754 8.706 1.00 0.00 C ATOM 610 O GLN A 39 -1.771 -10.782 9.417 1.00 0.00 O ATOM 611 CB GLN A 39 1.500 -11.020 9.733 1.00 0.00 C ATOM 612 CG GLN A 39 2.355 -11.970 10.556 1.00 0.00 C ATOM 613 CD GLN A 39 2.939 -11.309 11.790 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.486 -11.549 12.910 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.950 -10.471 11.591 1.00 0.00 N ATOM 0 H GLN A 39 1.879 -11.991 7.500 1.00 0.00 H new ATOM 0 HA GLN A 39 0.017 -12.563 9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.140 -10.480 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.054 -10.279 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.752 -12.826 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.165 -12.353 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.294 -10.302 10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.383 -9.997 12.384 1.00 0.00 H new ATOM 624 N LEU A 40 -0.615 -9.903 7.699 1.00 0.00 N ATOM 625 CA LEU A 40 -1.646 -8.926 7.362 1.00 0.00 C ATOM 626 C LEU A 40 -2.891 -9.616 6.814 1.00 0.00 C ATOM 627 O LEU A 40 -4.008 -9.335 7.245 1.00 0.00 O ATOM 628 CB LEU A 40 -1.111 -7.924 6.336 1.00 0.00 C ATOM 629 CG LEU A 40 -0.188 -6.833 6.883 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.588 -6.177 5.751 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.989 -5.795 7.656 1.00 0.00 C ATOM 0 H LEU A 40 0.211 -9.868 7.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.919 -8.393 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.572 -8.476 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.960 -7.444 5.849 1.00 0.00 H new ATOM 0 HG LEU A 40 0.525 -7.294 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.240 -5.403 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.191 -6.928 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.110 -5.729 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.316 -5.027 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.725 -5.337 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.500 -6.277 8.490 1.00 0.00 H new ATOM 643 N ALA A 41 -2.689 -10.522 5.863 1.00 0.00 N ATOM 644 CA ALA A 41 -3.795 -11.255 5.260 1.00 0.00 C ATOM 645 C ALA A 41 -4.850 -11.611 6.300 1.00 0.00 C ATOM 646 O ALA A 41 -6.034 -11.720 5.984 1.00 0.00 O ATOM 647 CB ALA A 41 -3.282 -12.513 4.574 1.00 0.00 C ATOM 0 H ALA A 41 -1.770 -10.766 5.494 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.261 -10.611 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.118 -13.051 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.570 -12.238 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.789 -13.152 5.307 1.00 0.00 H new ATOM 653 N GLN A 42 -4.413 -11.791 7.543 1.00 0.00 N ATOM 654 CA GLN A 42 -5.322 -12.135 8.630 1.00 0.00 C ATOM 655 C GLN A 42 -5.898 -10.880 9.276 1.00 0.00 C ATOM 656 O GLN A 42 -7.115 -10.717 9.367 1.00 0.00 O ATOM 657 CB GLN A 42 -4.598 -12.979 9.680 1.00 0.00 C ATOM 658 CG GLN A 42 -4.244 -14.376 9.200 1.00 0.00 C ATOM 659 CD GLN A 42 -4.176 -15.383 10.332 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.122 -15.524 11.108 1.00 0.00 O ATOM 661 NE2 GLN A 42 -3.057 -16.090 10.432 1.00 0.00 N ATOM 0 H GLN A 42 -3.436 -11.704 7.822 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.145 -12.715 8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.685 -12.465 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.226 -13.057 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.985 -14.704 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.283 -14.347 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.298 -15.940 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.956 -16.783 11.174 1.00 0.00 H new ATOM 670 N LYS A 43 -5.016 -9.994 9.726 1.00 0.00 N ATOM 671 CA LYS A 43 -5.435 -8.752 10.364 1.00 0.00 C ATOM 672 C LYS A 43 -6.449 -8.010 9.497 1.00 0.00 C ATOM 673 O LYS A 43 -7.155 -7.120 9.973 1.00 0.00 O ATOM 674 CB LYS A 43 -4.223 -7.856 10.630 1.00 0.00 C ATOM 675 CG LYS A 43 -3.269 -8.418 11.669 1.00 0.00 C ATOM 676 CD LYS A 43 -2.179 -7.419 12.024 1.00 0.00 C ATOM 677 CE LYS A 43 -1.025 -8.089 12.755 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.380 -8.424 14.161 1.00 0.00 N ATOM 0 H LYS A 43 -4.005 -10.113 9.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.909 -9.002 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.682 -7.704 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.571 -6.877 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.825 -8.686 12.568 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.815 -9.334 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.809 -6.945 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.597 -6.629 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.739 -8.998 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.158 -7.429 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.568 -8.879 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.629 -7.554 14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.192 -9.074 14.169 1.00 0.00 H new ATOM 692 N THR A 44 -6.515 -8.383 8.223 1.00 0.00 N ATOM 693 CA THR A 44 -7.441 -7.752 7.290 1.00 0.00 C ATOM 694 C THR A 44 -8.348 -8.787 6.634 1.00 0.00 C ATOM 695 O THR A 44 -9.527 -8.531 6.395 1.00 0.00 O ATOM 696 CB THR A 44 -6.692 -6.973 6.194 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.948 -7.879 5.371 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.751 -5.947 6.806 1.00 0.00 C ATOM 0 H THR A 44 -5.939 -9.118 7.814 1.00 0.00 H new ATOM 0 HA THR A 44 -8.047 -7.055 7.868 1.00 0.00 H new ATOM 0 HB THR A 44 -7.428 -6.449 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.318 -8.384 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.233 -5.409 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.324 -5.242 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.021 -6.454 7.437 1.00 0.00 H new ATOM 706 N GLY A 45 -7.790 -9.959 6.345 1.00 0.00 N ATOM 707 CA GLY A 45 -8.564 -11.014 5.719 1.00 0.00 C ATOM 708 C GLY A 45 -8.236 -11.180 4.247 1.00 0.00 C ATOM 709 O GLY A 45 -8.432 -12.253 3.677 1.00 0.00 O ATOM 0 H GLY A 45 -6.816 -10.196 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.377 -11.954 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.626 -10.795 5.829 1.00 0.00 H new ATOM 713 N LEU A 46 -7.738 -10.113 3.631 1.00 0.00 N ATOM 714 CA LEU A 46 -7.384 -10.143 2.217 1.00 0.00 C ATOM 715 C LEU A 46 -6.387 -11.261 1.928 1.00 0.00 C ATOM 716 O LEU A 46 -5.882 -11.910 2.845 1.00 0.00 O ATOM 717 CB LEU A 46 -6.796 -8.798 1.789 1.00 0.00 C ATOM 718 CG LEU A 46 -7.622 -7.561 2.142 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.854 -6.292 1.810 1.00 0.00 C ATOM 720 CD2 LEU A 46 -8.957 -7.585 1.411 1.00 0.00 C ATOM 0 H LEU A 46 -7.571 -9.217 4.089 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.292 -10.334 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.811 -8.694 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.649 -8.816 0.709 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.816 -7.572 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.459 -5.423 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.925 -6.270 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.627 -6.272 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.532 -6.697 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.783 -7.599 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.514 -8.476 1.700 1.00 0.00 H new ATOM 732 N THR A 47 -6.105 -11.481 0.648 1.00 0.00 N ATOM 733 CA THR A 47 -5.169 -12.519 0.238 1.00 0.00 C ATOM 734 C THR A 47 -3.807 -11.927 -0.106 1.00 0.00 C ATOM 735 O THR A 47 -3.707 -10.770 -0.515 1.00 0.00 O ATOM 736 CB THR A 47 -5.696 -13.304 -0.978 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.920 -14.492 -1.169 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.644 -12.451 -2.236 1.00 0.00 C ATOM 0 H THR A 47 -6.513 -10.953 -0.124 1.00 0.00 H new ATOM 0 HA THR A 47 -5.064 -13.200 1.083 1.00 0.00 H new ATOM 0 HB THR A 47 -6.734 -13.576 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.263 -14.986 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.021 -13.026 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.260 -11.562 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.614 -12.152 -2.431 1.00 0.00 H new ATOM 746 N LYS A 48 -2.759 -12.726 0.062 1.00 0.00 N ATOM 747 CA LYS A 48 -1.402 -12.282 -0.231 1.00 0.00 C ATOM 748 C LYS A 48 -1.372 -11.422 -1.490 1.00 0.00 C ATOM 749 O LYS A 48 -0.742 -10.365 -1.517 1.00 0.00 O ATOM 750 CB LYS A 48 -0.474 -13.487 -0.402 1.00 0.00 C ATOM 751 CG LYS A 48 0.986 -13.176 -0.122 1.00 0.00 C ATOM 752 CD LYS A 48 1.729 -14.400 0.387 1.00 0.00 C ATOM 753 CE LYS A 48 3.225 -14.144 0.481 1.00 0.00 C ATOM 754 NZ LYS A 48 3.884 -14.212 -0.852 1.00 0.00 N ATOM 0 H LYS A 48 -2.824 -13.686 0.400 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.054 -11.680 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.801 -14.284 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.567 -13.865 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.463 -12.812 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.054 -12.376 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.344 -14.679 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.544 -15.243 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.398 -13.162 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.678 -14.878 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.903 -14.032 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.740 -15.157 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.470 -13.495 -1.481 1.00 0.00 H new ATOM 768 N ARG A 49 -2.058 -11.882 -2.532 1.00 0.00 N ATOM 769 CA ARG A 49 -2.110 -11.154 -3.794 1.00 0.00 C ATOM 770 C ARG A 49 -2.678 -9.752 -3.591 1.00 0.00 C ATOM 771 O ARG A 49 -1.973 -8.755 -3.753 1.00 0.00 O ATOM 772 CB ARG A 49 -2.959 -11.917 -4.813 1.00 0.00 C ATOM 773 CG ARG A 49 -2.813 -11.400 -6.236 1.00 0.00 C ATOM 774 CD ARG A 49 -1.533 -11.905 -6.883 1.00 0.00 C ATOM 775 NE ARG A 49 -1.726 -13.192 -7.547 1.00 0.00 N ATOM 776 CZ ARG A 49 -2.546 -13.372 -8.575 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.245 -12.354 -9.056 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.668 -14.574 -9.126 1.00 0.00 N ATOM 0 H ARG A 49 -2.585 -12.755 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.092 -11.063 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.682 -12.971 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.007 -11.856 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.671 -11.716 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.814 -10.310 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.180 -11.172 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.757 -12.002 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.202 -13.996 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.154 -11.429 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.874 -12.496 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.131 -15.360 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.298 -14.711 -9.916 1.00 0.00 H new ATOM 792 N VAL A 50 -3.957 -9.684 -3.234 1.00 0.00 N ATOM 793 CA VAL A 50 -4.620 -8.405 -3.009 1.00 0.00 C ATOM 794 C VAL A 50 -3.701 -7.430 -2.281 1.00 0.00 C ATOM 795 O VAL A 50 -3.444 -6.325 -2.760 1.00 0.00 O ATOM 796 CB VAL A 50 -5.914 -8.580 -2.192 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.476 -7.227 -1.783 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.941 -9.375 -2.985 1.00 0.00 C ATOM 0 H VAL A 50 -4.554 -10.499 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.870 -8.001 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.677 -9.137 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.390 -7.372 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.743 -6.698 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.698 -6.641 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.849 -9.489 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.175 -8.847 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.536 -10.359 -3.221 1.00 0.00 H new ATOM 808 N LEU A 51 -3.206 -7.847 -1.120 1.00 0.00 N ATOM 809 CA LEU A 51 -2.314 -7.011 -0.324 1.00 0.00 C ATOM 810 C LEU A 51 -1.126 -6.539 -1.155 1.00 0.00 C ATOM 811 O LEU A 51 -0.862 -5.341 -1.255 1.00 0.00 O ATOM 812 CB LEU A 51 -1.820 -7.781 0.902 1.00 0.00 C ATOM 813 CG LEU A 51 -2.898 -8.250 1.879 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.309 -9.200 2.910 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.554 -7.059 2.562 1.00 0.00 C ATOM 0 H LEU A 51 -3.407 -8.759 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.874 -6.136 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.265 -8.654 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.117 -7.149 1.444 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.662 -8.787 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.092 -9.523 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.888 -10.069 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.524 -8.690 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.319 -7.412 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.801 -6.494 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.013 -6.416 1.811 1.00 0.00 H new ATOM 827 N GLN A 52 -0.412 -7.489 -1.751 1.00 0.00 N ATOM 828 CA GLN A 52 0.747 -7.169 -2.575 1.00 0.00 C ATOM 829 C GLN A 52 0.421 -6.058 -3.567 1.00 0.00 C ATOM 830 O GLN A 52 1.132 -5.056 -3.651 1.00 0.00 O ATOM 831 CB GLN A 52 1.226 -8.414 -3.324 1.00 0.00 C ATOM 832 CG GLN A 52 2.204 -9.265 -2.530 1.00 0.00 C ATOM 833 CD GLN A 52 3.601 -8.676 -2.502 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.355 -8.794 -3.468 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.953 -8.037 -1.393 1.00 0.00 N ATOM 0 H GLN A 52 -0.616 -8.486 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 52 1.543 -6.820 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.362 -9.022 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.699 -8.107 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.839 -9.374 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.244 -10.265 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.296 -7.963 -0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.881 -7.620 -1.317 1.00 0.00 H new ATOM 844 N VAL A 53 -0.659 -6.242 -4.320 1.00 0.00 N ATOM 845 CA VAL A 53 -1.081 -5.255 -5.306 1.00 0.00 C ATOM 846 C VAL A 53 -1.355 -3.905 -4.651 1.00 0.00 C ATOM 847 O VAL A 53 -0.670 -2.921 -4.924 1.00 0.00 O ATOM 848 CB VAL A 53 -2.345 -5.715 -6.056 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.743 -4.693 -7.109 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.122 -7.082 -6.686 1.00 0.00 C ATOM 0 H VAL A 53 -1.258 -7.066 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.263 -5.150 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.162 -5.799 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.638 -5.035 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.946 -3.736 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.931 -4.574 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.025 -7.392 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.292 -7.027 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.889 -7.808 -5.907 1.00 0.00 H new ATOM 860 N TRP A 54 -2.363 -3.868 -3.786 1.00 0.00 N ATOM 861 CA TRP A 54 -2.727 -2.639 -3.090 1.00 0.00 C ATOM 862 C TRP A 54 -1.485 -1.854 -2.684 1.00 0.00 C ATOM 863 O TRP A 54 -1.340 -0.682 -3.030 1.00 0.00 O ATOM 864 CB TRP A 54 -3.570 -2.959 -1.854 1.00 0.00 C ATOM 865 CG TRP A 54 -4.002 -1.740 -1.098 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.183 -1.068 -1.233 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.255 -1.047 -0.092 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.216 0.002 -0.369 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.046 0.036 0.342 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.998 -1.236 0.487 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.617 0.924 1.325 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.574 -0.354 1.464 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.382 0.714 1.874 1.00 0.00 C ATOM 0 H TRP A 54 -2.942 -4.674 -3.550 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.314 -2.025 -3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.453 -3.520 -2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.997 -3.606 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.974 -1.337 -1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.987 0.663 -0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.368 -2.057 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.237 1.749 1.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.604 -0.491 1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.022 1.386 2.640 1.00 0.00 H new ATOM 884 N PHE A 55 -0.592 -2.507 -1.948 1.00 0.00 N ATOM 885 CA PHE A 55 0.638 -1.868 -1.495 1.00 0.00 C ATOM 886 C PHE A 55 1.431 -1.314 -2.674 1.00 0.00 C ATOM 887 O PHE A 55 1.865 -0.163 -2.658 1.00 0.00 O ATOM 888 CB PHE A 55 1.496 -2.865 -0.712 1.00 0.00 C ATOM 889 CG PHE A 55 1.206 -2.879 0.762 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.124 -3.586 1.260 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.014 -2.185 1.647 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.146 -3.602 2.616 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.749 -2.197 3.004 1.00 0.00 C ATOM 894 CZ PHE A 55 0.667 -2.905 3.488 1.00 0.00 C ATOM 0 H PHE A 55 -0.697 -3.478 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 55 0.367 -1.039 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.336 -3.865 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.548 -2.625 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.516 -4.131 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.861 -1.628 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.991 -4.159 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.388 -1.653 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.457 -2.914 4.547 1.00 0.00 H new ATOM 904 N GLN A 56 1.615 -2.143 -3.697 1.00 0.00 N ATOM 905 CA GLN A 56 2.356 -1.736 -4.885 1.00 0.00 C ATOM 906 C GLN A 56 1.743 -0.487 -5.508 1.00 0.00 C ATOM 907 O GLN A 56 2.454 0.379 -6.016 1.00 0.00 O ATOM 908 CB GLN A 56 2.382 -2.872 -5.910 1.00 0.00 C ATOM 909 CG GLN A 56 3.361 -3.982 -5.562 1.00 0.00 C ATOM 910 CD GLN A 56 3.110 -5.250 -6.355 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.791 -5.200 -7.543 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.253 -6.396 -5.699 1.00 0.00 N ATOM 0 H GLN A 56 1.262 -3.099 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 56 3.378 -1.505 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.381 -3.295 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.641 -2.463 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.378 -3.636 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.290 -4.204 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.519 -6.390 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.097 -7.282 -6.180 1.00 0.00 H new ATOM 921 N ASN A 57 0.417 -0.401 -5.468 1.00 0.00 N ATOM 922 CA ASN A 57 -0.293 0.741 -6.030 1.00 0.00 C ATOM 923 C ASN A 57 -0.030 2.001 -5.212 1.00 0.00 C ATOM 924 O ASN A 57 -0.045 3.112 -5.742 1.00 0.00 O ATOM 925 CB ASN A 57 -1.796 0.459 -6.084 1.00 0.00 C ATOM 926 CG ASN A 57 -2.203 -0.270 -7.350 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.778 0.087 -8.449 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.032 -1.297 -7.200 1.00 0.00 N ATOM 0 H ASN A 57 -0.187 -1.110 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 57 0.076 0.903 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.082 -0.137 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.342 1.400 -6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.342 -1.826 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.359 -1.557 -6.269 1.00 0.00 H new ATOM 935 N ALA A 58 0.213 1.820 -3.918 1.00 0.00 N ATOM 936 CA ALA A 58 0.481 2.942 -3.027 1.00 0.00 C ATOM 937 C ALA A 58 1.799 3.622 -3.383 1.00 0.00 C ATOM 938 O ALA A 58 1.860 4.844 -3.520 1.00 0.00 O ATOM 939 CB ALA A 58 0.502 2.472 -1.580 1.00 0.00 C ATOM 0 H ALA A 58 0.230 0.907 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.319 3.672 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.703 3.320 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.464 2.037 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.282 1.722 -1.452 1.00 0.00 H new ATOM 945 N ARG A 59 2.851 2.823 -3.532 1.00 0.00 N ATOM 946 CA ARG A 59 4.167 3.348 -3.872 1.00 0.00 C ATOM 947 C ARG A 59 4.085 4.292 -5.068 1.00 0.00 C ATOM 948 O ARG A 59 4.973 5.115 -5.285 1.00 0.00 O ATOM 949 CB ARG A 59 5.134 2.203 -4.178 1.00 0.00 C ATOM 950 CG ARG A 59 5.873 1.686 -2.954 1.00 0.00 C ATOM 951 CD ARG A 59 7.132 0.927 -3.342 1.00 0.00 C ATOM 952 NE ARG A 59 6.840 -0.445 -3.747 1.00 0.00 N ATOM 953 CZ ARG A 59 7.776 -1.327 -4.084 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.055 -0.981 -4.062 1.00 0.00 N ATOM 955 NH2 ARG A 59 7.432 -2.558 -4.441 1.00 0.00 N ATOM 0 H ARG A 59 2.817 1.809 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 59 4.538 3.908 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.579 1.381 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.862 2.541 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.136 2.522 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.216 1.033 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.632 1.448 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.824 0.917 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 59 5.865 -0.743 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.323 -0.036 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.771 -1.659 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.449 -2.828 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.151 -3.234 -4.699 1.00 0.00 H new