USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 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 25 TYR OH : rot 130:sc= -0.509 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.99 K(o=-2.5,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-0.96) USER MOD Single : A 18 GLN : amide:sc= -1.56! X(o=-1.6!,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -129:sc= -0.138 (180deg=-1.99!) USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -0.253 (180deg=-1.23) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0.022) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -0.208 (180deg=-1.57) USER MOD Single : A 39 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 42 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.675 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0255) USER MOD Single : A 52 GLN : amide:sc= -0.893 K(o=-0.89,f=-0.09) USER MOD Single : A 56 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -0.943 K(o=-0.94,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.556 -0.972 -0.516 1.00 0.00 N ATOM 179 CA PHE A 14 -12.022 -1.569 0.702 1.00 0.00 C ATOM 180 C PHE A 14 -12.681 -0.965 1.939 1.00 0.00 C ATOM 181 O PHE A 14 -13.193 0.154 1.899 1.00 0.00 O ATOM 182 CB PHE A 14 -10.506 -1.373 0.771 1.00 0.00 C ATOM 183 CG PHE A 14 -9.763 -2.039 -0.352 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.878 -3.403 -0.562 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.951 -1.300 -1.198 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.196 -4.020 -1.595 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.268 -1.910 -2.232 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.389 -3.272 -2.431 1.00 0.00 C ATOM 0 HA PHE A 14 -12.242 -2.636 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.285 -0.306 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.140 -1.764 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.508 -3.992 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.851 -0.235 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.294 -5.085 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.639 -1.323 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.854 -3.751 -3.238 1.00 0.00 H new ATOM 198 N LYS A 15 -12.664 -1.713 3.037 1.00 0.00 N ATOM 199 CA LYS A 15 -13.259 -1.253 4.285 1.00 0.00 C ATOM 200 C LYS A 15 -12.250 -0.459 5.109 1.00 0.00 C ATOM 201 O LYS A 15 -11.065 -0.793 5.148 1.00 0.00 O ATOM 202 CB LYS A 15 -13.772 -2.444 5.099 1.00 0.00 C ATOM 203 CG LYS A 15 -14.700 -3.358 4.320 1.00 0.00 C ATOM 204 CD LYS A 15 -16.118 -2.813 4.282 1.00 0.00 C ATOM 205 CE LYS A 15 -17.110 -3.870 3.821 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.503 -3.541 4.235 1.00 0.00 N ATOM 0 H LYS A 15 -12.244 -2.641 3.087 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.096 -0.600 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.920 -3.023 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.296 -2.073 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.327 -3.475 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.702 -4.349 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.399 -2.457 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.161 -1.955 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.066 -3.961 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.827 -4.838 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.149 -4.285 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.551 -3.479 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.782 -2.629 3.820 1.00 0.00 H new ATOM 220 N HIS A 16 -12.727 0.594 5.765 1.00 0.00 N ATOM 221 CA HIS A 16 -11.866 1.435 6.590 1.00 0.00 C ATOM 222 C HIS A 16 -11.207 0.617 7.697 1.00 0.00 C ATOM 223 O HIS A 16 -10.210 1.039 8.285 1.00 0.00 O ATOM 224 CB HIS A 16 -12.670 2.584 7.198 1.00 0.00 C ATOM 225 CG HIS A 16 -13.258 3.508 6.177 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.492 4.268 5.318 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.548 3.793 5.879 1.00 0.00 C ATOM 228 CE1 HIS A 16 -13.284 4.980 4.538 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.536 4.711 4.857 1.00 0.00 N ATOM 0 H HIS A 16 -13.704 0.885 5.742 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.084 1.847 5.952 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.473 2.172 7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.024 3.156 7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.423 3.376 6.356 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.962 5.666 3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.361 5.118 4.416 1.00 0.00 H new ATOM 238 N HIS A 17 -11.770 -0.553 7.978 1.00 0.00 N ATOM 239 CA HIS A 17 -11.238 -1.430 9.015 1.00 0.00 C ATOM 240 C HIS A 17 -9.956 -2.110 8.545 1.00 0.00 C ATOM 241 O HIS A 17 -8.877 -1.857 9.080 1.00 0.00 O ATOM 242 CB HIS A 17 -12.276 -2.483 9.405 1.00 0.00 C ATOM 243 CG HIS A 17 -11.679 -3.711 10.019 1.00 0.00 C ATOM 244 ND1 HIS A 17 -11.677 -3.948 11.378 1.00 0.00 N ATOM 245 CD2 HIS A 17 -11.066 -4.777 9.453 1.00 0.00 C ATOM 246 CE1 HIS A 17 -11.087 -5.104 11.620 1.00 0.00 C ATOM 247 NE2 HIS A 17 -10.706 -5.628 10.469 1.00 0.00 N ATOM 0 H HIS A 17 -12.596 -0.916 7.502 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.006 -0.821 9.888 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.983 -2.042 10.108 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.843 -2.768 8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.892 -4.930 8.398 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.941 -5.546 12.594 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.223 -6.519 10.354 1.00 0.00 H new ATOM 256 N GLN A 18 -10.083 -2.975 7.544 1.00 0.00 N ATOM 257 CA GLN A 18 -8.934 -3.693 7.005 1.00 0.00 C ATOM 258 C GLN A 18 -7.847 -2.723 6.558 1.00 0.00 C ATOM 259 O GLN A 18 -6.672 -2.894 6.890 1.00 0.00 O ATOM 260 CB GLN A 18 -9.363 -4.573 5.830 1.00 0.00 C ATOM 261 CG GLN A 18 -10.538 -4.013 5.046 1.00 0.00 C ATOM 262 CD GLN A 18 -10.508 -4.411 3.583 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.217 -5.325 3.162 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.685 -3.724 2.800 1.00 0.00 N ATOM 0 H GLN A 18 -10.969 -3.196 7.090 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.528 -4.325 7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.516 -4.702 5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.626 -5.562 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.468 -4.362 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.536 -2.926 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.116 -2.974 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.622 -3.946 1.806 1.00 0.00 H new ATOM 273 N LEU A 19 -8.244 -1.703 5.805 1.00 0.00 N ATOM 274 CA LEU A 19 -7.301 -0.704 5.312 1.00 0.00 C ATOM 275 C LEU A 19 -6.535 -0.063 6.465 1.00 0.00 C ATOM 276 O LEU A 19 -5.319 0.116 6.392 1.00 0.00 O ATOM 277 CB LEU A 19 -8.040 0.373 4.515 1.00 0.00 C ATOM 278 CG LEU A 19 -8.189 0.113 3.015 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.124 1.135 2.387 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.830 0.141 2.331 1.00 0.00 C ATOM 0 H LEU A 19 -9.211 -1.546 5.523 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.586 -1.205 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.035 0.495 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.517 1.320 4.649 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.622 -0.878 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.218 0.935 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.105 1.067 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.720 2.137 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.956 -0.046 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.370 1.118 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.190 -0.629 2.761 1.00 0.00 H new ATOM 292 N ARG A 20 -7.255 0.279 7.529 1.00 0.00 N ATOM 293 CA ARG A 20 -6.642 0.900 8.698 1.00 0.00 C ATOM 294 C ARG A 20 -5.357 0.175 9.087 1.00 0.00 C ATOM 295 O ARG A 20 -4.379 0.800 9.501 1.00 0.00 O ATOM 296 CB ARG A 20 -7.619 0.895 9.875 1.00 0.00 C ATOM 297 CG ARG A 20 -7.030 1.458 11.158 1.00 0.00 C ATOM 298 CD ARG A 20 -7.180 2.970 11.223 1.00 0.00 C ATOM 299 NE ARG A 20 -6.933 3.487 12.566 1.00 0.00 N ATOM 300 CZ ARG A 20 -6.902 4.782 12.861 1.00 0.00 C ATOM 301 NH1 ARG A 20 -7.102 5.686 11.912 1.00 0.00 N ATOM 302 NH2 ARG A 20 -6.671 5.175 14.107 1.00 0.00 N ATOM 0 H ARG A 20 -8.262 0.137 7.606 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.395 1.931 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.502 1.475 9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.952 -0.127 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.525 1.005 12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.975 1.193 11.222 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.485 3.434 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.185 3.249 10.906 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.776 2.817 13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.280 5.388 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.078 6.680 12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.517 4.483 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.647 6.170 14.332 1.00 0.00 H new ATOM 316 N THR A 21 -5.364 -1.148 8.951 1.00 0.00 N ATOM 317 CA THR A 21 -4.201 -1.957 9.289 1.00 0.00 C ATOM 318 C THR A 21 -3.103 -1.805 8.243 1.00 0.00 C ATOM 319 O THR A 21 -1.926 -1.676 8.580 1.00 0.00 O ATOM 320 CB THR A 21 -4.571 -3.447 9.416 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.455 -3.640 10.527 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.324 -4.300 9.601 1.00 0.00 C ATOM 0 H THR A 21 -6.163 -1.681 8.609 1.00 0.00 H new ATOM 0 HA THR A 21 -3.835 -1.598 10.251 1.00 0.00 H new ATOM 0 HB THR A 21 -5.070 -3.754 8.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.687 -4.589 10.600 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.610 -5.348 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.666 -4.174 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.802 -3.990 10.506 1.00 0.00 H new ATOM 330 N MET A 22 -3.494 -1.823 6.974 1.00 0.00 N ATOM 331 CA MET A 22 -2.541 -1.686 5.878 1.00 0.00 C ATOM 332 C MET A 22 -1.947 -0.281 5.848 1.00 0.00 C ATOM 333 O MET A 22 -0.748 -0.097 6.061 1.00 0.00 O ATOM 334 CB MET A 22 -3.220 -1.994 4.542 1.00 0.00 C ATOM 335 CG MET A 22 -3.296 -3.479 4.228 1.00 0.00 C ATOM 336 SD MET A 22 -3.529 -3.806 2.470 1.00 0.00 S ATOM 337 CE MET A 22 -5.227 -3.278 2.251 1.00 0.00 C ATOM 0 H MET A 22 -4.464 -1.931 6.678 1.00 0.00 H new ATOM 0 HA MET A 22 -1.733 -2.400 6.040 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.229 -1.581 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.677 -1.489 3.743 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.381 -3.965 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.119 -3.923 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.791 -4.065 1.751 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.673 -3.075 3.224 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.251 -2.373 1.644 1.00 0.00 H new ATOM 347 N LYS A 23 -2.792 0.709 5.581 1.00 0.00 N ATOM 348 CA LYS A 23 -2.352 2.097 5.524 1.00 0.00 C ATOM 349 C LYS A 23 -1.316 2.385 6.606 1.00 0.00 C ATOM 350 O LYS A 23 -0.243 2.918 6.325 1.00 0.00 O ATOM 351 CB LYS A 23 -3.547 3.040 5.684 1.00 0.00 C ATOM 352 CG LYS A 23 -4.597 2.880 4.598 1.00 0.00 C ATOM 353 CD LYS A 23 -5.330 4.185 4.336 1.00 0.00 C ATOM 354 CE LYS A 23 -4.578 5.056 3.342 1.00 0.00 C ATOM 355 NZ LYS A 23 -3.616 5.968 4.021 1.00 0.00 N ATOM 0 H LYS A 23 -3.787 0.575 5.400 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.891 2.266 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.011 2.864 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.189 4.070 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.122 2.537 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.313 2.112 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.328 3.972 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.457 4.727 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.041 4.422 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.290 5.645 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.585 6.877 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.921 6.126 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.669 5.538 4.018 1.00 0.00 H new ATOM 369 N SER A 24 -1.644 2.027 7.843 1.00 0.00 N ATOM 370 CA SER A 24 -0.743 2.249 8.968 1.00 0.00 C ATOM 371 C SER A 24 0.619 1.614 8.706 1.00 0.00 C ATOM 372 O SER A 24 1.658 2.254 8.874 1.00 0.00 O ATOM 373 CB SER A 24 -1.346 1.678 10.253 1.00 0.00 C ATOM 374 OG SER A 24 -0.407 1.706 11.313 1.00 0.00 O ATOM 0 H SER A 24 -2.527 1.582 8.092 1.00 0.00 H new ATOM 0 HA SER A 24 -0.607 3.324 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.230 2.253 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.674 0.653 10.080 1.00 0.00 H new ATOM 0 HG SER A 24 -0.817 1.337 12.123 1.00 0.00 H new ATOM 380 N TYR A 25 0.606 0.351 8.294 1.00 0.00 N ATOM 381 CA TYR A 25 1.839 -0.373 8.012 1.00 0.00 C ATOM 382 C TYR A 25 2.673 0.360 6.965 1.00 0.00 C ATOM 383 O TYR A 25 3.889 0.494 7.106 1.00 0.00 O ATOM 384 CB TYR A 25 1.523 -1.789 7.528 1.00 0.00 C ATOM 385 CG TYR A 25 2.754 -2.620 7.242 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.558 -2.351 6.141 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.114 -3.673 8.074 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.684 -3.108 5.876 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.239 -4.435 7.818 1.00 0.00 C ATOM 390 CZ TYR A 25 5.020 -4.148 6.717 1.00 0.00 C ATOM 391 OH TYR A 25 6.139 -4.904 6.458 1.00 0.00 O ATOM 0 H TYR A 25 -0.245 -0.192 8.148 1.00 0.00 H new ATOM 0 HA TYR A 25 2.416 -0.431 8.935 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.920 -2.295 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.918 -1.728 6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.299 -1.536 5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.504 -3.900 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.297 -2.886 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.505 -5.250 8.475 1.00 0.00 H new ATOM 0 HH TYR A 25 6.684 -4.970 7.270 1.00 0.00 H new ATOM 401 N PHE A 26 2.011 0.832 5.914 1.00 0.00 N ATOM 402 CA PHE A 26 2.690 1.551 4.842 1.00 0.00 C ATOM 403 C PHE A 26 3.705 2.540 5.409 1.00 0.00 C ATOM 404 O PHE A 26 4.808 2.682 4.884 1.00 0.00 O ATOM 405 CB PHE A 26 1.672 2.291 3.971 1.00 0.00 C ATOM 406 CG PHE A 26 2.287 2.984 2.790 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.990 2.266 1.836 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.161 4.355 2.632 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.557 2.901 0.747 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.725 4.996 1.545 1.00 0.00 C ATOM 411 CZ PHE A 26 3.425 4.268 0.602 1.00 0.00 C ATOM 0 H PHE A 26 1.005 0.730 5.782 1.00 0.00 H new ATOM 0 HA PHE A 26 3.221 0.823 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.924 1.581 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.149 3.027 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.096 1.197 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.616 4.929 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.102 2.329 0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.619 6.065 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.868 4.767 -0.247 1.00 0.00 H new ATOM 421 N ALA A 27 3.321 3.221 6.484 1.00 0.00 N ATOM 422 CA ALA A 27 4.197 4.196 7.123 1.00 0.00 C ATOM 423 C ALA A 27 5.379 3.510 7.801 1.00 0.00 C ATOM 424 O ALA A 27 6.508 3.997 7.743 1.00 0.00 O ATOM 425 CB ALA A 27 3.416 5.026 8.132 1.00 0.00 C ATOM 0 H ALA A 27 2.410 3.116 6.930 1.00 0.00 H new ATOM 0 HA ALA A 27 4.589 4.858 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.082 5.750 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.609 5.553 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.997 4.371 8.895 1.00 0.00 H new ATOM 431 N ILE A 28 5.110 2.379 8.445 1.00 0.00 N ATOM 432 CA ILE A 28 6.152 1.627 9.133 1.00 0.00 C ATOM 433 C ILE A 28 7.158 1.049 8.144 1.00 0.00 C ATOM 434 O ILE A 28 8.365 1.239 8.289 1.00 0.00 O ATOM 435 CB ILE A 28 5.557 0.481 9.973 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.536 1.028 10.973 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.663 -0.274 10.697 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.649 -0.038 11.574 1.00 0.00 C ATOM 0 H ILE A 28 4.180 1.964 8.505 1.00 0.00 H new ATOM 0 HA ILE A 28 6.661 2.327 9.796 1.00 0.00 H new ATOM 0 HB ILE A 28 5.047 -0.212 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.065 1.544 11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.912 1.770 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.227 -1.081 11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.357 -0.692 9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.198 0.409 11.357 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.950 0.422 12.273 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.093 -0.538 10.781 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.263 -0.767 12.102 1.00 0.00 H new ATOM 450 N ASN A 29 6.651 0.343 7.138 1.00 0.00 N ATOM 451 CA ASN A 29 7.506 -0.262 6.123 1.00 0.00 C ATOM 452 C ASN A 29 6.874 -0.143 4.740 1.00 0.00 C ATOM 453 O ASN A 29 5.659 -0.267 4.587 1.00 0.00 O ATOM 454 CB ASN A 29 7.763 -1.734 6.455 1.00 0.00 C ATOM 455 CG ASN A 29 8.875 -2.330 5.614 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.995 -1.820 5.594 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.570 -3.417 4.915 1.00 0.00 N ATOM 0 H ASN A 29 5.654 0.176 7.004 1.00 0.00 H new ATOM 0 HA ASN A 29 8.456 0.273 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.020 -1.826 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.847 -2.304 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.278 -3.863 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.628 -3.806 4.962 1.00 0.00 H new ATOM 464 N HIS A 30 7.709 0.097 3.733 1.00 0.00 N ATOM 465 CA HIS A 30 7.233 0.230 2.360 1.00 0.00 C ATOM 466 C HIS A 30 7.342 -1.096 1.616 1.00 0.00 C ATOM 467 O HIS A 30 6.444 -1.471 0.863 1.00 0.00 O ATOM 468 CB HIS A 30 8.030 1.309 1.625 1.00 0.00 C ATOM 469 CG HIS A 30 7.778 2.694 2.137 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.746 3.675 2.160 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.658 3.260 2.645 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.233 4.785 2.662 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.967 4.559 2.964 1.00 0.00 N ATOM 0 H HIS A 30 8.718 0.203 3.842 1.00 0.00 H new ATOM 0 HA HIS A 30 6.183 0.522 2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.093 1.086 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.783 1.272 0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.700 2.779 2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.759 5.718 2.801 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.324 5.239 3.369 1.00 0.00 H new ATOM 482 N ASN A 31 8.448 -1.802 1.830 1.00 0.00 N ATOM 483 CA ASN A 31 8.675 -3.086 1.178 1.00 0.00 C ATOM 484 C ASN A 31 8.531 -4.234 2.173 1.00 0.00 C ATOM 485 O ASN A 31 9.512 -4.765 2.693 1.00 0.00 O ATOM 486 CB ASN A 31 10.065 -3.120 0.541 1.00 0.00 C ATOM 487 CG ASN A 31 10.090 -2.464 -0.826 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.318 -2.823 -1.714 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.983 -1.495 -1.001 1.00 0.00 N ATOM 0 H ASN A 31 9.201 -1.506 2.451 1.00 0.00 H new ATOM 0 HA ASN A 31 7.923 -3.207 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.775 -2.615 1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.395 -4.155 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.047 -1.017 -1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.604 -1.229 -0.237 1.00 0.00 H new ATOM 496 N PRO A 32 7.277 -4.628 2.443 1.00 0.00 N ATOM 497 CA PRO A 32 6.974 -5.717 3.376 1.00 0.00 C ATOM 498 C PRO A 32 7.389 -7.080 2.830 1.00 0.00 C ATOM 499 O PRO A 32 7.334 -7.318 1.624 1.00 0.00 O ATOM 500 CB PRO A 32 5.453 -5.642 3.527 1.00 0.00 C ATOM 501 CG PRO A 32 4.978 -5.003 2.268 1.00 0.00 C ATOM 502 CD PRO A 32 6.059 -4.040 1.861 1.00 0.00 C ATOM 0 HA PRO A 32 7.515 -5.611 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.019 -6.633 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.170 -5.054 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.807 -5.749 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.032 -4.485 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.133 -3.954 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.872 -3.039 2.248 1.00 0.00 H new ATOM 510 N ASP A 33 7.802 -7.970 3.726 1.00 0.00 N ATOM 511 CA ASP A 33 8.225 -9.309 3.334 1.00 0.00 C ATOM 512 C ASP A 33 7.078 -10.305 3.480 1.00 0.00 C ATOM 513 O ASP A 33 6.103 -10.044 4.184 1.00 0.00 O ATOM 514 CB ASP A 33 9.419 -9.759 4.179 1.00 0.00 C ATOM 515 CG ASP A 33 10.585 -8.794 4.090 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.406 -7.613 4.453 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.677 -9.221 3.660 1.00 0.00 O ATOM 0 H ASP A 33 7.853 -7.788 4.728 1.00 0.00 H new ATOM 0 HA ASP A 33 8.524 -9.277 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.109 -9.855 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.742 -10.747 3.850 1.00 0.00 H new ATOM 522 N ALA A 34 7.204 -11.446 2.811 1.00 0.00 N ATOM 523 CA ALA A 34 6.179 -12.482 2.866 1.00 0.00 C ATOM 524 C ALA A 34 5.557 -12.563 4.256 1.00 0.00 C ATOM 525 O ALA A 34 4.334 -12.569 4.401 1.00 0.00 O ATOM 526 CB ALA A 34 6.767 -13.828 2.470 1.00 0.00 C ATOM 0 H ALA A 34 8.006 -11.677 2.224 1.00 0.00 H new ATOM 0 HA ALA A 34 5.393 -12.219 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.991 -14.592 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.159 -13.769 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.573 -14.089 3.156 1.00 0.00 H new ATOM 532 N LYS A 35 6.405 -12.626 5.277 1.00 0.00 N ATOM 533 CA LYS A 35 5.940 -12.706 6.656 1.00 0.00 C ATOM 534 C LYS A 35 4.863 -11.661 6.928 1.00 0.00 C ATOM 535 O LYS A 35 3.759 -11.991 7.362 1.00 0.00 O ATOM 536 CB LYS A 35 7.110 -12.512 7.623 1.00 0.00 C ATOM 537 CG LYS A 35 6.682 -12.357 9.072 1.00 0.00 C ATOM 538 CD LYS A 35 6.093 -13.645 9.621 1.00 0.00 C ATOM 539 CE LYS A 35 6.068 -13.643 11.142 1.00 0.00 C ATOM 540 NZ LYS A 35 5.354 -14.831 11.687 1.00 0.00 N ATOM 0 H LYS A 35 7.420 -12.623 5.175 1.00 0.00 H new ATOM 0 HA LYS A 35 5.509 -13.695 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.783 -13.365 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.676 -11.630 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.540 -12.062 9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.946 -11.557 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.080 -13.775 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.678 -14.494 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.090 -13.628 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.582 -12.734 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.359 -14.792 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.372 -14.833 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.832 -15.699 11.371 1.00 0.00 H new ATOM 554 N ASP A 36 5.191 -10.399 6.671 1.00 0.00 N ATOM 555 CA ASP A 36 4.250 -9.305 6.886 1.00 0.00 C ATOM 556 C ASP A 36 3.013 -9.472 6.008 1.00 0.00 C ATOM 557 O ASP A 36 1.898 -9.150 6.422 1.00 0.00 O ATOM 558 CB ASP A 36 4.921 -7.963 6.593 1.00 0.00 C ATOM 559 CG ASP A 36 6.324 -7.880 7.163 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.455 -7.612 8.376 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.289 -8.082 6.397 1.00 0.00 O ATOM 0 H ASP A 36 6.101 -10.108 6.314 1.00 0.00 H new ATOM 0 HA ASP A 36 3.938 -9.326 7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.960 -7.808 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.315 -7.158 7.009 1.00 0.00 H new ATOM 566 N LEU A 37 3.218 -9.975 4.796 1.00 0.00 N ATOM 567 CA LEU A 37 2.119 -10.184 3.859 1.00 0.00 C ATOM 568 C LEU A 37 1.107 -11.179 4.420 1.00 0.00 C ATOM 569 O LEU A 37 -0.086 -10.885 4.505 1.00 0.00 O ATOM 570 CB LEU A 37 2.656 -10.686 2.517 1.00 0.00 C ATOM 571 CG LEU A 37 3.196 -9.616 1.569 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.858 -10.259 0.359 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.081 -8.677 1.132 1.00 0.00 C ATOM 0 H LEU A 37 4.134 -10.246 4.439 1.00 0.00 H new ATOM 0 HA LEU A 37 1.616 -9.229 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.452 -11.405 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.857 -11.225 2.007 1.00 0.00 H new ATOM 0 HG LEU A 37 3.947 -9.033 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.236 -9.482 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.684 -10.889 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.128 -10.868 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.485 -7.922 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.307 -9.246 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.652 -8.189 2.007 1.00 0.00 H new ATOM 585 N LYS A 38 1.590 -12.356 4.801 1.00 0.00 N ATOM 586 CA LYS A 38 0.731 -13.393 5.356 1.00 0.00 C ATOM 587 C LYS A 38 0.107 -12.937 6.671 1.00 0.00 C ATOM 588 O LYS A 38 -1.031 -13.286 6.982 1.00 0.00 O ATOM 589 CB LYS A 38 1.528 -14.682 5.577 1.00 0.00 C ATOM 590 CG LYS A 38 2.380 -14.662 6.834 1.00 0.00 C ATOM 591 CD LYS A 38 2.878 -16.052 7.192 1.00 0.00 C ATOM 592 CE LYS A 38 3.893 -16.558 6.178 1.00 0.00 C ATOM 593 NZ LYS A 38 3.236 -17.237 5.027 1.00 0.00 N ATOM 0 H LYS A 38 2.574 -12.615 4.735 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.070 -13.586 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.836 -15.522 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.172 -14.854 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.231 -13.996 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.798 -14.258 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.331 -16.033 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.035 -16.741 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.490 -15.722 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.579 -17.251 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.685 -18.161 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.226 -17.374 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.337 -16.650 4.174 1.00 0.00 H new ATOM 607 N GLN A 39 0.861 -12.157 7.439 1.00 0.00 N ATOM 608 CA GLN A 39 0.380 -11.653 8.719 1.00 0.00 C ATOM 609 C GLN A 39 -0.756 -10.654 8.521 1.00 0.00 C ATOM 610 O GLN A 39 -1.701 -10.608 9.309 1.00 0.00 O ATOM 611 CB GLN A 39 1.524 -10.995 9.494 1.00 0.00 C ATOM 612 CG GLN A 39 2.443 -11.989 10.184 1.00 0.00 C ATOM 613 CD GLN A 39 3.063 -11.430 11.450 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.832 -11.943 12.546 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.854 -10.374 11.305 1.00 0.00 N ATOM 0 H GLN A 39 1.807 -11.861 7.197 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.001 -12.498 9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.112 -10.385 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.105 -10.321 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.880 -12.890 10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.235 -12.284 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.017 -9.982 10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.299 -9.954 12.121 1.00 0.00 H new ATOM 624 N LEU A 40 -0.657 -9.856 7.463 1.00 0.00 N ATOM 625 CA LEU A 40 -1.676 -8.858 7.161 1.00 0.00 C ATOM 626 C LEU A 40 -2.944 -9.518 6.630 1.00 0.00 C ATOM 627 O LEU A 40 -4.056 -9.098 6.950 1.00 0.00 O ATOM 628 CB LEU A 40 -1.145 -7.852 6.138 1.00 0.00 C ATOM 629 CG LEU A 40 -0.235 -6.753 6.689 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.483 -6.037 5.555 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.037 -5.764 7.522 1.00 0.00 C ATOM 0 H LEU A 40 0.118 -9.881 6.801 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.921 -8.334 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.597 -8.399 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.996 -7.380 5.647 1.00 0.00 H new ATOM 0 HG LEU A 40 0.514 -7.216 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.126 -5.258 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.089 -6.752 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.251 -5.586 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.373 -4.989 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.808 -5.307 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.505 -6.287 8.356 1.00 0.00 H new ATOM 643 N ALA A 41 -2.769 -10.556 5.817 1.00 0.00 N ATOM 644 CA ALA A 41 -3.900 -11.276 5.245 1.00 0.00 C ATOM 645 C ALA A 41 -4.905 -11.667 6.323 1.00 0.00 C ATOM 646 O ALA A 41 -6.093 -11.829 6.047 1.00 0.00 O ATOM 647 CB ALA A 41 -3.415 -12.512 4.501 1.00 0.00 C ATOM 0 H ALA A 41 -1.856 -10.916 5.540 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.402 -10.613 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.269 -13.041 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.741 -12.212 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.887 -13.169 5.192 1.00 0.00 H new ATOM 653 N GLN A 42 -4.420 -11.815 7.552 1.00 0.00 N ATOM 654 CA GLN A 42 -5.277 -12.188 8.672 1.00 0.00 C ATOM 655 C GLN A 42 -5.864 -10.950 9.343 1.00 0.00 C ATOM 656 O GLN A 42 -7.075 -10.850 9.534 1.00 0.00 O ATOM 657 CB GLN A 42 -4.491 -13.011 9.692 1.00 0.00 C ATOM 658 CG GLN A 42 -4.078 -14.382 9.179 1.00 0.00 C ATOM 659 CD GLN A 42 -5.250 -15.336 9.062 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.063 -15.231 8.142 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.343 -16.278 9.994 1.00 0.00 N ATOM 0 H GLN A 42 -3.439 -11.682 7.797 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.097 -12.792 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.598 -12.457 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.096 -13.135 10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.603 -14.273 8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.333 -14.808 9.851 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.648 -16.329 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.110 -16.950 9.965 1.00 0.00 H new ATOM 670 N LYS A 43 -4.996 -10.009 9.698 1.00 0.00 N ATOM 671 CA LYS A 43 -5.427 -8.776 10.348 1.00 0.00 C ATOM 672 C LYS A 43 -6.514 -8.083 9.534 1.00 0.00 C ATOM 673 O LYS A 43 -7.418 -7.458 10.089 1.00 0.00 O ATOM 674 CB LYS A 43 -4.237 -7.833 10.537 1.00 0.00 C ATOM 675 CG LYS A 43 -3.205 -8.345 11.527 1.00 0.00 C ATOM 676 CD LYS A 43 -2.282 -7.232 11.996 1.00 0.00 C ATOM 677 CE LYS A 43 -1.103 -7.782 12.783 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.113 -6.719 13.114 1.00 0.00 N ATOM 0 H LYS A 43 -3.990 -10.076 9.547 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.838 -9.033 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.755 -7.673 9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.603 -6.864 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.711 -8.786 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.616 -9.136 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.917 -6.673 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.841 -6.532 12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.463 -8.242 13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.614 -8.566 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.675 -7.134 13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.250 -6.297 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.573 -5.983 13.687 1.00 0.00 H new ATOM 692 N THR A 44 -6.424 -8.201 8.213 1.00 0.00 N ATOM 693 CA THR A 44 -7.400 -7.586 7.322 1.00 0.00 C ATOM 694 C THR A 44 -8.374 -8.624 6.775 1.00 0.00 C ATOM 695 O THR A 44 -9.561 -8.347 6.605 1.00 0.00 O ATOM 696 CB THR A 44 -6.714 -6.870 6.143 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.092 -7.832 5.283 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.672 -5.881 6.644 1.00 0.00 C ATOM 0 H THR A 44 -5.685 -8.717 7.736 1.00 0.00 H new ATOM 0 HA THR A 44 -7.948 -6.852 7.912 1.00 0.00 H new ATOM 0 HB THR A 44 -7.474 -6.322 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.388 -8.303 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.201 -5.387 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.153 -5.135 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.915 -6.412 7.221 1.00 0.00 H new ATOM 706 N GLY A 45 -7.865 -9.820 6.500 1.00 0.00 N ATOM 707 CA GLY A 45 -8.704 -10.881 5.974 1.00 0.00 C ATOM 708 C GLY A 45 -8.447 -11.149 4.504 1.00 0.00 C ATOM 709 O GLY A 45 -8.743 -12.235 4.003 1.00 0.00 O ATOM 0 H GLY A 45 -6.886 -10.074 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.529 -11.794 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.752 -10.615 6.114 1.00 0.00 H new ATOM 713 N LEU A 46 -7.898 -10.159 3.811 1.00 0.00 N ATOM 714 CA LEU A 46 -7.603 -10.292 2.389 1.00 0.00 C ATOM 715 C LEU A 46 -6.564 -11.382 2.148 1.00 0.00 C ATOM 716 O LEU A 46 -6.089 -12.022 3.088 1.00 0.00 O ATOM 717 CB LEU A 46 -7.103 -8.961 1.825 1.00 0.00 C ATOM 718 CG LEU A 46 -7.969 -7.736 2.123 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.172 -6.457 1.928 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.210 -7.735 1.243 1.00 0.00 C ATOM 0 H LEU A 46 -7.648 -9.254 4.211 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.523 -10.574 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.102 -8.777 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.009 -9.060 0.744 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.287 -7.784 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.806 -5.597 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.315 -6.456 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.823 -6.400 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.815 -6.857 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.913 -7.712 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.793 -8.636 1.435 1.00 0.00 H new ATOM 732 N THR A 47 -6.212 -11.588 0.882 1.00 0.00 N ATOM 733 CA THR A 47 -5.228 -12.600 0.517 1.00 0.00 C ATOM 734 C THR A 47 -3.900 -11.960 0.131 1.00 0.00 C ATOM 735 O THR A 47 -3.835 -10.764 -0.158 1.00 0.00 O ATOM 736 CB THR A 47 -5.725 -13.471 -0.651 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.931 -14.658 -0.750 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.664 -12.703 -1.963 1.00 0.00 C ATOM 0 H THR A 47 -6.594 -11.067 0.093 1.00 0.00 H new ATOM 0 HA THR A 47 -5.083 -13.231 1.394 1.00 0.00 H new ATOM 0 HB THR A 47 -6.762 -13.744 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.255 -15.207 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.020 -13.339 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.293 -11.816 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.635 -12.404 -2.162 1.00 0.00 H new ATOM 746 N LYS A 48 -2.842 -12.763 0.124 1.00 0.00 N ATOM 747 CA LYS A 48 -1.513 -12.277 -0.229 1.00 0.00 C ATOM 748 C LYS A 48 -1.559 -11.457 -1.516 1.00 0.00 C ATOM 749 O LYS A 48 -0.939 -10.397 -1.609 1.00 0.00 O ATOM 750 CB LYS A 48 -0.545 -13.451 -0.395 1.00 0.00 C ATOM 751 CG LYS A 48 0.916 -13.057 -0.264 1.00 0.00 C ATOM 752 CD LYS A 48 1.774 -14.235 0.165 1.00 0.00 C ATOM 753 CE LYS A 48 3.226 -14.047 -0.248 1.00 0.00 C ATOM 754 NZ LYS A 48 3.427 -14.303 -1.700 1.00 0.00 N ATOM 0 H LYS A 48 -2.879 -13.755 0.359 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.161 -11.636 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.776 -14.210 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.704 -13.907 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.277 -12.671 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.013 -12.251 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.715 -14.355 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.384 -15.151 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.542 -13.031 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.858 -14.721 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.445 -14.315 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.010 -15.222 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.967 -13.551 -2.252 1.00 0.00 H new ATOM 768 N ARG A 49 -2.297 -11.952 -2.502 1.00 0.00 N ATOM 769 CA ARG A 49 -2.424 -11.265 -3.782 1.00 0.00 C ATOM 770 C ARG A 49 -2.947 -9.845 -3.587 1.00 0.00 C ATOM 771 O ARG A 49 -2.308 -8.875 -3.994 1.00 0.00 O ATOM 772 CB ARG A 49 -3.358 -12.041 -4.711 1.00 0.00 C ATOM 773 CG ARG A 49 -3.279 -11.597 -6.163 1.00 0.00 C ATOM 774 CD ARG A 49 -1.956 -11.998 -6.797 1.00 0.00 C ATOM 775 NE ARG A 49 -1.824 -13.447 -6.918 1.00 0.00 N ATOM 776 CZ ARG A 49 -0.728 -14.050 -7.367 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.323 -13.333 -7.735 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.684 -15.373 -7.448 1.00 0.00 N ATOM 0 H ARG A 49 -2.817 -12.827 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.435 -11.210 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.117 -13.102 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.384 -11.926 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.102 -12.039 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.398 -10.515 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.874 -11.543 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.134 -11.608 -6.197 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.616 -14.028 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.293 -12.315 -7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.163 -13.799 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.492 -15.928 -7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.157 -15.835 -7.793 1.00 0.00 H new ATOM 792 N VAL A 50 -4.114 -9.730 -2.960 1.00 0.00 N ATOM 793 CA VAL A 50 -4.724 -8.430 -2.710 1.00 0.00 C ATOM 794 C VAL A 50 -3.732 -7.475 -2.055 1.00 0.00 C ATOM 795 O VAL A 50 -3.456 -6.394 -2.576 1.00 0.00 O ATOM 796 CB VAL A 50 -5.968 -8.556 -1.812 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.566 -7.186 -1.532 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.996 -9.476 -2.452 1.00 0.00 C ATOM 0 H VAL A 50 -4.656 -10.523 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.024 -8.030 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.665 -8.994 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.444 -7.295 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.828 -6.563 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.855 -6.716 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.869 -9.553 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.297 -9.070 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.561 -10.465 -2.594 1.00 0.00 H new ATOM 808 N LEU A 51 -3.196 -7.882 -0.909 1.00 0.00 N ATOM 809 CA LEU A 51 -2.233 -7.063 -0.181 1.00 0.00 C ATOM 810 C LEU A 51 -1.045 -6.704 -1.067 1.00 0.00 C ATOM 811 O LEU A 51 -0.597 -5.558 -1.084 1.00 0.00 O ATOM 812 CB LEU A 51 -1.749 -7.801 1.069 1.00 0.00 C ATOM 813 CG LEU A 51 -2.839 -8.370 1.977 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.249 -9.381 2.950 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.543 -7.251 2.731 1.00 0.00 C ATOM 0 H LEU A 51 -3.412 -8.774 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.730 -6.140 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.102 -8.620 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.136 -7.117 1.656 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.574 -8.880 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.039 -9.776 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.791 -10.198 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.493 -8.894 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.316 -7.675 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.819 -6.713 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.999 -6.563 2.019 1.00 0.00 H new ATOM 827 N GLN A 52 -0.542 -7.690 -1.802 1.00 0.00 N ATOM 828 CA GLN A 52 0.594 -7.476 -2.690 1.00 0.00 C ATOM 829 C GLN A 52 0.314 -6.340 -3.668 1.00 0.00 C ATOM 830 O GLN A 52 1.082 -5.383 -3.759 1.00 0.00 O ATOM 831 CB GLN A 52 0.915 -8.759 -3.459 1.00 0.00 C ATOM 832 CG GLN A 52 1.883 -9.678 -2.734 1.00 0.00 C ATOM 833 CD GLN A 52 3.332 -9.378 -3.065 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.958 -10.083 -3.858 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.873 -8.329 -2.458 1.00 0.00 N ATOM 0 H GLN A 52 -0.903 -8.644 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 52 1.454 -7.201 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.012 -9.300 -3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.336 -8.495 -4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.733 -9.582 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.661 -10.713 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.317 -7.773 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.845 -8.079 -2.641 1.00 0.00 H new ATOM 844 N VAL A 53 -0.791 -6.453 -4.398 1.00 0.00 N ATOM 845 CA VAL A 53 -1.173 -5.434 -5.369 1.00 0.00 C ATOM 846 C VAL A 53 -1.376 -4.082 -4.695 1.00 0.00 C ATOM 847 O VAL A 53 -0.683 -3.113 -5.004 1.00 0.00 O ATOM 848 CB VAL A 53 -2.464 -5.824 -6.113 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.854 -4.743 -7.110 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.293 -7.166 -6.809 1.00 0.00 C ATOM 0 H VAL A 53 -1.437 -7.240 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.357 -5.359 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.268 -5.919 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.768 -5.036 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.021 -3.804 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.053 -4.613 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.215 -7.426 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.476 -7.102 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.066 -7.933 -6.069 1.00 0.00 H new ATOM 860 N TRP A 54 -2.331 -4.024 -3.773 1.00 0.00 N ATOM 861 CA TRP A 54 -2.627 -2.790 -3.055 1.00 0.00 C ATOM 862 C TRP A 54 -1.342 -2.057 -2.682 1.00 0.00 C ATOM 863 O TRP A 54 -1.144 -0.901 -3.058 1.00 0.00 O ATOM 864 CB TRP A 54 -3.439 -3.091 -1.796 1.00 0.00 C ATOM 865 CG TRP A 54 -3.887 -1.858 -1.069 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.088 -1.221 -1.199 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.139 -1.116 -0.101 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.130 -0.125 -0.370 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.948 -0.040 0.315 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.866 -1.255 0.457 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.522 0.890 1.261 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.444 -0.332 1.396 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.270 0.729 1.790 1.00 0.00 C ATOM 0 H TRP A 54 -2.913 -4.817 -3.505 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.213 -2.148 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.314 -3.681 -2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.839 -3.703 -1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.887 -1.532 -1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.915 0.520 -0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.222 -2.070 0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.157 1.709 1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.461 -0.430 1.833 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.912 1.434 2.526 1.00 0.00 H new ATOM 884 N PHE A 55 -0.471 -2.735 -1.942 1.00 0.00 N ATOM 885 CA PHE A 55 0.794 -2.147 -1.519 1.00 0.00 C ATOM 886 C PHE A 55 1.587 -1.640 -2.721 1.00 0.00 C ATOM 887 O PHE A 55 1.973 -0.473 -2.774 1.00 0.00 O ATOM 888 CB PHE A 55 1.622 -3.173 -0.743 1.00 0.00 C ATOM 889 CG PHE A 55 1.359 -3.160 0.736 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.182 -3.681 1.247 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.289 -2.627 1.613 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.064 -3.671 2.608 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.050 -2.615 2.975 1.00 0.00 C ATOM 894 CZ PHE A 55 0.871 -3.136 3.473 1.00 0.00 C ATOM 0 H PHE A 55 -0.618 -3.693 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 55 0.574 -1.301 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.410 -4.169 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.681 -2.981 -0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.552 -4.100 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.211 -2.216 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.986 -4.081 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.784 -2.199 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.681 -3.125 4.536 1.00 0.00 H new ATOM 904 N GLN A 56 1.826 -2.527 -3.681 1.00 0.00 N ATOM 905 CA GLN A 56 2.573 -2.170 -4.881 1.00 0.00 C ATOM 906 C GLN A 56 2.021 -0.892 -5.507 1.00 0.00 C ATOM 907 O GLN A 56 2.779 -0.015 -5.919 1.00 0.00 O ATOM 908 CB GLN A 56 2.524 -3.311 -5.897 1.00 0.00 C ATOM 909 CG GLN A 56 3.386 -4.504 -5.514 1.00 0.00 C ATOM 910 CD GLN A 56 2.940 -5.787 -6.187 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.063 -5.775 -7.052 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.543 -6.903 -5.795 1.00 0.00 N ATOM 0 H GLN A 56 1.513 -3.497 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 56 3.609 -1.994 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.491 -3.641 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.848 -2.936 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.423 -4.299 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.356 -4.636 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.265 -6.867 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.285 -7.796 -6.214 1.00 0.00 H new ATOM 921 N ASN A 57 0.698 -0.797 -5.574 1.00 0.00 N ATOM 922 CA ASN A 57 0.044 0.373 -6.151 1.00 0.00 C ATOM 923 C ASN A 57 0.300 1.613 -5.299 1.00 0.00 C ATOM 924 O ASN A 57 0.355 2.731 -5.813 1.00 0.00 O ATOM 925 CB ASN A 57 -1.461 0.131 -6.279 1.00 0.00 C ATOM 926 CG ASN A 57 -1.836 -0.488 -7.612 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.437 0.001 -8.670 1.00 0.00 O ATOM 928 ND2 ASN A 57 -2.605 -1.570 -7.567 1.00 0.00 N ATOM 0 H ASN A 57 0.057 -1.515 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 57 0.464 0.541 -7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.791 -0.523 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.990 1.077 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.888 -2.031 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.912 -1.940 -6.668 1.00 0.00 H new ATOM 935 N ALA A 58 0.456 1.408 -3.996 1.00 0.00 N ATOM 936 CA ALA A 58 0.708 2.508 -3.074 1.00 0.00 C ATOM 937 C ALA A 58 1.944 3.301 -3.489 1.00 0.00 C ATOM 938 O ALA A 58 1.853 4.483 -3.820 1.00 0.00 O ATOM 939 CB ALA A 58 0.868 1.983 -1.655 1.00 0.00 C ATOM 0 H ALA A 58 0.412 0.490 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.150 3.179 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.056 2.816 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.044 1.468 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.707 1.288 -1.617 1.00 0.00 H new ATOM 945 N ARG A 59 3.097 2.641 -3.470 1.00 0.00 N ATOM 946 CA ARG A 59 4.352 3.283 -3.843 1.00 0.00 C ATOM 947 C ARG A 59 4.189 4.089 -5.128 1.00 0.00 C ATOM 948 O ARG A 59 4.742 5.179 -5.265 1.00 0.00 O ATOM 949 CB ARG A 59 5.453 2.237 -4.020 1.00 0.00 C ATOM 950 CG ARG A 59 5.865 1.561 -2.723 1.00 0.00 C ATOM 951 CD ARG A 59 7.048 0.629 -2.932 1.00 0.00 C ATOM 952 NE ARG A 59 8.215 1.334 -3.455 1.00 0.00 N ATOM 953 CZ ARG A 59 8.412 1.572 -4.748 1.00 0.00 C ATOM 954 NH1 ARG A 59 7.524 1.162 -5.642 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.498 2.221 -5.146 1.00 0.00 N ATOM 0 H ARG A 59 3.188 1.662 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 59 4.635 3.964 -3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.111 1.477 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.327 2.713 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.123 2.318 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.023 0.997 -2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.306 0.153 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.766 -0.166 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 59 8.917 1.662 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.688 0.663 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.677 1.345 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.183 2.538 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.648 2.403 -6.138 1.00 0.00 H new