USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -33:sc= 0.0395 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 120:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 28 THR OG1 : rot -58:sc= 0.955 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 MET CE :methyl -121:sc= -1.1! (180deg=-1.52!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 135 N THR A 7 -4.444 10.263 0.945 1.00 0.00 N ATOM 136 CA THR A 7 -3.124 10.089 0.263 1.00 0.00 C ATOM 137 C THR A 7 -1.953 10.291 1.289 1.00 0.00 C ATOM 138 O THR A 7 -1.057 11.119 1.091 1.00 0.00 O ATOM 139 CB THR A 7 -2.982 10.997 -1.001 1.00 0.00 C ATOM 140 OG1 THR A 7 -3.171 12.371 -0.670 1.00 0.00 O ATOM 141 CG2 THR A 7 -3.906 10.646 -2.177 1.00 0.00 C ATOM 0 HA THR A 7 -3.067 9.066 -0.109 1.00 0.00 H new ATOM 0 HB THR A 7 -1.964 10.807 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.825 12.446 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.726 11.337 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.703 9.627 -2.507 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.946 10.724 -1.859 1.00 0.00 H new ATOM 149 N SER A 8 -1.965 9.500 2.380 1.00 0.00 N ATOM 150 CA SER A 8 -0.945 9.563 3.461 1.00 0.00 C ATOM 151 C SER A 8 -0.628 8.131 3.957 1.00 0.00 C ATOM 152 O SER A 8 -1.529 7.339 4.256 1.00 0.00 O ATOM 153 CB SER A 8 -1.413 10.478 4.620 1.00 0.00 C ATOM 154 OG SER A 8 -2.599 10.000 5.252 1.00 0.00 O ATOM 0 H SER A 8 -2.683 8.794 2.543 1.00 0.00 H new ATOM 0 HA SER A 8 -0.031 10.003 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.617 10.556 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.590 11.483 4.236 1.00 0.00 H new ATOM 0 HG SER A 8 -2.852 10.610 5.976 1.00 0.00 H new ATOM 160 N ILE A 9 0.678 7.829 4.072 1.00 0.00 N ATOM 161 CA ILE A 9 1.185 6.515 4.515 1.00 0.00 C ATOM 162 C ILE A 9 1.371 6.634 6.068 1.00 0.00 C ATOM 163 O ILE A 9 2.182 7.457 6.516 1.00 0.00 O ATOM 164 CB ILE A 9 2.555 6.164 3.808 1.00 0.00 C ATOM 165 CG1 ILE A 9 2.989 6.859 2.485 1.00 0.00 C ATOM 166 CG2 ILE A 9 2.642 4.642 3.588 1.00 0.00 C ATOM 167 CD1 ILE A 9 4.482 6.761 2.120 1.00 0.00 C ATOM 0 H ILE A 9 1.419 8.496 3.858 1.00 0.00 H new ATOM 0 HA ILE A 9 0.494 5.714 4.253 1.00 0.00 H new ATOM 0 HB ILE A 9 3.256 6.586 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.408 6.431 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.721 7.914 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.586 4.398 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.588 4.132 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.814 4.318 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.662 7.282 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.080 7.218 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.762 5.713 2.013 1.00 0.00 H new ATOM 179 N GLU A 10 0.642 5.849 6.885 1.00 0.00 N ATOM 180 CA GLU A 10 0.707 5.955 8.368 1.00 0.00 C ATOM 181 C GLU A 10 1.247 4.598 8.915 1.00 0.00 C ATOM 182 O GLU A 10 2.338 4.177 8.523 1.00 0.00 O ATOM 183 CB GLU A 10 -0.677 6.474 8.878 1.00 0.00 C ATOM 184 CG GLU A 10 -1.036 7.925 8.475 1.00 0.00 C ATOM 185 CD GLU A 10 -2.424 8.352 8.954 1.00 0.00 C ATOM 186 OE1 GLU A 10 -3.422 8.337 8.235 1.00 0.00 O ATOM 187 OE2 GLU A 10 -2.420 8.750 10.267 1.00 0.00 O ATOM 0 H GLU A 10 -0.001 5.132 6.549 1.00 0.00 H new ATOM 0 HA GLU A 10 1.411 6.692 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.455 5.809 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.693 6.403 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.290 8.605 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.988 8.017 7.390 1.00 0.00 H new ATOM 195 N THR A 11 0.580 3.999 9.915 1.00 0.00 N ATOM 196 CA THR A 11 0.929 2.653 10.463 1.00 0.00 C ATOM 197 C THR A 11 0.201 1.513 9.714 1.00 0.00 C ATOM 198 O THR A 11 0.816 0.824 8.899 1.00 0.00 O ATOM 199 CB THR A 11 0.825 2.543 12.017 1.00 0.00 C ATOM 200 OG1 THR A 11 -0.388 3.112 12.506 1.00 0.00 O ATOM 201 CG2 THR A 11 2.009 3.173 12.751 1.00 0.00 C ATOM 0 H THR A 11 -0.223 4.427 10.377 1.00 0.00 H new ATOM 0 HA THR A 11 1.993 2.525 10.264 1.00 0.00 H new ATOM 0 HB THR A 11 0.836 1.473 12.226 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.421 3.024 13.482 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.872 3.061 13.826 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.931 2.676 12.449 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.070 4.232 12.502 1.00 0.00 H new ATOM 209 N ASN A 12 -1.102 1.321 10.010 1.00 0.00 N ATOM 210 CA ASN A 12 -1.916 0.209 9.443 1.00 0.00 C ATOM 211 C ASN A 12 -2.086 0.176 7.892 1.00 0.00 C ATOM 212 O ASN A 12 -2.226 -0.929 7.361 1.00 0.00 O ATOM 213 CB ASN A 12 -3.190 0.009 10.292 1.00 0.00 C ATOM 214 CG ASN A 12 -4.075 -1.203 9.931 1.00 0.00 C ATOM 215 OD1 ASN A 12 -3.719 -2.353 10.187 1.00 0.00 O ATOM 216 ND2 ASN A 12 -5.229 -0.973 9.322 1.00 0.00 N ATOM 0 H ASN A 12 -1.623 1.926 10.645 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.324 -0.701 9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.893 -0.085 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.798 0.911 10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.832 -1.753 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.514 -0.016 9.115 1.00 0.00 H new ATOM 223 N ILE A 13 -2.053 1.312 7.152 1.00 0.00 N ATOM 224 CA ILE A 13 -1.886 1.265 5.668 1.00 0.00 C ATOM 225 C ILE A 13 -0.475 0.711 5.331 1.00 0.00 C ATOM 226 O ILE A 13 -0.399 -0.322 4.678 1.00 0.00 O ATOM 227 CB ILE A 13 -2.298 2.526 4.843 1.00 0.00 C ATOM 228 CG1 ILE A 13 -1.801 2.513 3.385 1.00 0.00 C ATOM 229 CG2 ILE A 13 -1.944 3.910 5.350 1.00 0.00 C ATOM 230 CD1 ILE A 13 -0.335 2.904 3.074 1.00 0.00 C ATOM 0 H ILE A 13 -2.137 2.251 7.541 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.650 0.574 5.312 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.375 2.398 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.960 1.508 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.445 3.182 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.310 4.659 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.406 4.070 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.862 3.998 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.161 2.839 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.152 3.925 3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.341 2.224 3.593 1.00 0.00 H new ATOM 242 N ARG A 14 0.607 1.374 5.762 1.00 0.00 N ATOM 243 CA ARG A 14 2.008 0.966 5.450 1.00 0.00 C ATOM 244 C ARG A 14 2.440 -0.499 5.749 1.00 0.00 C ATOM 245 O ARG A 14 3.325 -1.020 5.078 1.00 0.00 O ATOM 246 CB ARG A 14 2.897 1.937 6.279 1.00 0.00 C ATOM 247 CG ARG A 14 4.226 2.315 5.606 1.00 0.00 C ATOM 248 CD ARG A 14 4.724 3.725 5.990 1.00 0.00 C ATOM 249 NE ARG A 14 5.388 3.749 7.315 1.00 0.00 N ATOM 250 CZ ARG A 14 5.683 4.865 8.006 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.380 6.096 7.597 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.318 4.730 9.155 1.00 0.00 N ATOM 0 H ARG A 14 0.548 2.213 6.340 1.00 0.00 H new ATOM 0 HA ARG A 14 2.112 1.017 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.332 2.848 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.111 1.479 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.985 1.582 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.106 2.262 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.421 4.080 5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.881 4.416 5.997 1.00 0.00 H new ATOM 0 HE ARG A 14 5.640 2.854 7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.895 6.234 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.633 6.901 8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.569 3.801 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.558 5.555 9.705 1.00 0.00 H new ATOM 265 N VAL A 15 1.802 -1.077 6.771 1.00 0.00 N ATOM 266 CA VAL A 15 1.928 -2.492 7.217 1.00 0.00 C ATOM 267 C VAL A 15 1.146 -3.469 6.274 1.00 0.00 C ATOM 268 O VAL A 15 1.722 -4.411 5.728 1.00 0.00 O ATOM 269 CB VAL A 15 1.592 -2.575 8.756 1.00 0.00 C ATOM 270 CG1 VAL A 15 0.153 -2.964 9.145 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.488 -3.556 9.505 1.00 0.00 C ATOM 0 H VAL A 15 1.145 -0.553 7.349 1.00 0.00 H new ATOM 0 HA VAL A 15 2.955 -2.845 7.121 1.00 0.00 H new ATOM 0 HB VAL A 15 1.757 -1.536 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.062 -2.983 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.545 -2.234 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.078 -3.951 8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.210 -3.571 10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.367 -4.554 9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.528 -3.245 9.408 1.00 0.00 H new ATOM 281 N ALA A 16 -0.165 -3.213 6.101 1.00 0.00 N ATOM 282 CA ALA A 16 -1.059 -3.946 5.166 1.00 0.00 C ATOM 283 C ALA A 16 -0.644 -3.846 3.670 1.00 0.00 C ATOM 284 O ALA A 16 -0.803 -4.830 2.950 1.00 0.00 O ATOM 285 CB ALA A 16 -2.496 -3.426 5.356 1.00 0.00 C ATOM 0 H ALA A 16 -0.648 -2.477 6.615 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.982 -5.005 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.166 -3.953 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.812 -3.598 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.528 -2.358 5.141 1.00 0.00 H new ATOM 291 N LEU A 17 -0.120 -2.679 3.230 1.00 0.00 N ATOM 292 CA LEU A 17 0.473 -2.472 1.886 1.00 0.00 C ATOM 293 C LEU A 17 1.831 -3.237 1.735 1.00 0.00 C ATOM 294 O LEU A 17 2.059 -3.844 0.687 1.00 0.00 O ATOM 295 CB LEU A 17 0.528 -0.943 1.596 1.00 0.00 C ATOM 296 CG LEU A 17 -0.828 -0.220 1.305 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.788 1.167 0.618 1.00 0.00 C ATOM 298 CD2 LEU A 17 -1.963 -0.988 0.612 1.00 0.00 C ATOM 0 H LEU A 17 -0.096 -1.839 3.808 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.153 -2.913 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.995 -0.454 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.185 -0.785 0.741 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.058 -0.120 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.805 1.537 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.227 1.865 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.304 1.077 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.825 -0.332 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.627 -1.329 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.244 -1.848 1.219 1.00 0.00 H new ATOM 310 N GLU A 18 2.700 -3.253 2.773 1.00 0.00 N ATOM 311 CA GLU A 18 3.927 -4.110 2.843 1.00 0.00 C ATOM 312 C GLU A 18 3.658 -5.621 2.630 1.00 0.00 C ATOM 313 O GLU A 18 4.345 -6.260 1.833 1.00 0.00 O ATOM 314 CB GLU A 18 4.735 -3.712 4.123 1.00 0.00 C ATOM 315 CG GLU A 18 5.455 -4.755 5.013 1.00 0.00 C ATOM 316 CD GLU A 18 4.732 -5.171 6.295 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.111 -6.226 6.414 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.875 -4.247 7.294 1.00 0.00 O ATOM 0 H GLU A 18 2.575 -2.668 3.599 1.00 0.00 H new ATOM 0 HA GLU A 18 4.571 -3.909 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.495 -2.999 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.045 -3.173 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.633 -5.649 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.431 -4.355 5.286 1.00 0.00 H new ATOM 326 N LYS A 19 2.656 -6.166 3.324 1.00 0.00 N ATOM 327 CA LYS A 19 2.244 -7.586 3.198 1.00 0.00 C ATOM 328 C LYS A 19 1.421 -7.965 1.922 1.00 0.00 C ATOM 329 O LYS A 19 1.462 -9.113 1.473 1.00 0.00 O ATOM 330 CB LYS A 19 1.552 -7.847 4.567 1.00 0.00 C ATOM 331 CG LYS A 19 1.284 -9.287 5.024 1.00 0.00 C ATOM 332 CD LYS A 19 0.796 -9.287 6.499 1.00 0.00 C ATOM 333 CE LYS A 19 0.404 -10.672 7.051 1.00 0.00 C ATOM 334 NZ LYS A 19 1.556 -11.579 7.224 1.00 0.00 N ATOM 0 H LYS A 19 2.098 -5.640 3.996 1.00 0.00 H new ATOM 0 HA LYS A 19 3.088 -8.252 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.161 -7.370 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.594 -7.327 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.533 -9.748 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.192 -9.883 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.583 -8.871 7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.063 -8.622 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.097 -10.545 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.315 -11.134 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.226 -12.492 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.021 -11.728 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.233 -11.157 7.891 1.00 0.00 H new ATOM 347 N SER A 20 0.725 -6.979 1.334 1.00 0.00 N ATOM 348 CA SER A 20 0.121 -7.021 -0.031 1.00 0.00 C ATOM 349 C SER A 20 1.128 -7.404 -1.160 1.00 0.00 C ATOM 350 O SER A 20 0.815 -8.220 -2.028 1.00 0.00 O ATOM 351 CB SER A 20 -0.436 -5.597 -0.251 1.00 0.00 C ATOM 352 OG SER A 20 -1.795 -5.620 -0.661 1.00 0.00 O ATOM 0 H SER A 20 0.554 -6.091 1.805 1.00 0.00 H new ATOM 0 HA SER A 20 -0.640 -7.799 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.344 -5.024 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.162 -5.085 -1.005 1.00 0.00 H new ATOM 0 HG SER A 20 -2.342 -5.137 -0.007 1.00 0.00 H new ATOM 358 N PHE A 21 2.330 -6.802 -1.095 1.00 0.00 N ATOM 359 CA PHE A 21 3.488 -7.101 -1.964 1.00 0.00 C ATOM 360 C PHE A 21 3.990 -8.576 -1.862 1.00 0.00 C ATOM 361 O PHE A 21 4.194 -9.246 -2.876 1.00 0.00 O ATOM 362 CB PHE A 21 4.581 -6.082 -1.547 1.00 0.00 C ATOM 363 CG PHE A 21 5.746 -6.024 -2.559 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.799 -6.944 -2.467 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.784 -5.025 -3.530 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.901 -6.832 -3.298 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.898 -4.908 -4.350 1.00 0.00 C ATOM 368 CZ PHE A 21 7.960 -5.803 -4.230 1.00 0.00 C ATOM 0 H PHE A 21 2.531 -6.069 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 21 3.212 -7.004 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.135 -5.092 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.969 -6.351 -0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.751 -7.745 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.952 -4.346 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.712 -7.542 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.942 -4.119 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.829 -5.697 -4.862 1.00 0.00 H new ATOM 378 N LEU A 22 4.195 -9.040 -0.620 1.00 0.00 N ATOM 379 CA LEU A 22 4.586 -10.436 -0.273 1.00 0.00 C ATOM 380 C LEU A 22 3.628 -11.566 -0.797 1.00 0.00 C ATOM 381 O LEU A 22 4.072 -12.703 -0.979 1.00 0.00 O ATOM 382 CB LEU A 22 4.866 -10.512 1.241 1.00 0.00 C ATOM 383 CG LEU A 22 5.915 -9.486 1.773 1.00 0.00 C ATOM 384 CD1 LEU A 22 6.080 -9.668 3.268 1.00 0.00 C ATOM 385 CD2 LEU A 22 7.299 -9.521 1.093 1.00 0.00 C ATOM 0 H LEU A 22 4.093 -8.446 0.203 1.00 0.00 H new ATOM 0 HA LEU A 22 5.500 -10.659 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.929 -10.360 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.211 -11.518 1.481 1.00 0.00 H new ATOM 0 HG LEU A 22 5.506 -8.507 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.812 -8.953 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.123 -9.501 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.424 -10.681 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.945 -8.767 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.745 -10.507 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.187 -9.315 0.029 1.00 0.00 H new ATOM 397 N GLU A 23 2.350 -11.229 -1.083 1.00 0.00 N ATOM 398 CA GLU A 23 1.378 -12.111 -1.775 1.00 0.00 C ATOM 399 C GLU A 23 1.602 -11.932 -3.312 1.00 0.00 C ATOM 400 O GLU A 23 2.040 -12.880 -3.970 1.00 0.00 O ATOM 401 CB GLU A 23 -0.054 -11.750 -1.287 1.00 0.00 C ATOM 402 CG GLU A 23 -1.148 -12.735 -1.751 1.00 0.00 C ATOM 403 CD GLU A 23 -2.545 -12.319 -1.286 1.00 0.00 C ATOM 404 OE1 GLU A 23 -3.104 -12.803 -0.301 1.00 0.00 O ATOM 405 OE2 GLU A 23 -3.092 -11.351 -2.089 1.00 0.00 O ATOM 0 H GLU A 23 1.957 -10.321 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 23 1.515 -13.168 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.055 -11.710 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.306 -10.751 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.135 -12.801 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.922 -13.730 -1.368 1.00 0.00 H new ATOM 413 N ASN A 24 1.328 -10.727 -3.854 1.00 0.00 N ATOM 414 CA ASN A 24 1.609 -10.369 -5.271 1.00 0.00 C ATOM 415 C ASN A 24 2.291 -8.968 -5.300 1.00 0.00 C ATOM 416 O ASN A 24 1.821 -7.994 -4.705 1.00 0.00 O ATOM 417 CB ASN A 24 0.369 -10.310 -6.200 1.00 0.00 C ATOM 418 CG ASN A 24 -0.608 -11.485 -6.232 1.00 0.00 C ATOM 419 OD1 ASN A 24 -0.285 -12.642 -5.961 1.00 0.00 O ATOM 420 ND2 ASN A 24 -1.824 -11.194 -6.646 1.00 0.00 N ATOM 0 H ASN A 24 0.903 -9.967 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 24 2.242 -11.169 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.200 -9.421 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.731 -10.159 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.519 -11.934 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.071 -10.229 -6.865 1.00 0.00 H new ATOM 427 N GLN A 25 3.386 -8.899 -6.061 1.00 0.00 N ATOM 428 CA GLN A 25 4.181 -7.648 -6.297 1.00 0.00 C ATOM 429 C GLN A 25 3.456 -6.696 -7.290 1.00 0.00 C ATOM 430 O GLN A 25 3.168 -5.544 -6.954 1.00 0.00 O ATOM 431 CB GLN A 25 5.602 -8.087 -6.741 1.00 0.00 C ATOM 432 CG GLN A 25 6.618 -7.003 -7.179 1.00 0.00 C ATOM 433 CD GLN A 25 6.753 -6.793 -8.697 1.00 0.00 C ATOM 434 OE1 GLN A 25 6.147 -5.893 -9.275 1.00 0.00 O ATOM 435 NE2 GLN A 25 7.560 -7.599 -9.369 1.00 0.00 N ATOM 0 H GLN A 25 3.767 -9.711 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 25 4.276 -7.052 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.048 -8.642 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.487 -8.785 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.330 -6.056 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.597 -7.265 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.059 -8.343 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.683 -7.476 -10.374 1.00 0.00 H new ATOM 444 N LYS A 26 3.184 -7.222 -8.494 1.00 0.00 N ATOM 445 CA LYS A 26 2.312 -6.573 -9.507 1.00 0.00 C ATOM 446 C LYS A 26 0.970 -7.352 -9.490 1.00 0.00 C ATOM 447 O LYS A 26 0.793 -8.235 -10.338 1.00 0.00 O ATOM 448 CB LYS A 26 3.031 -6.472 -10.883 1.00 0.00 C ATOM 449 CG LYS A 26 2.255 -5.763 -12.023 1.00 0.00 C ATOM 450 CD LYS A 26 1.945 -4.270 -11.778 1.00 0.00 C ATOM 451 CE LYS A 26 1.269 -3.573 -12.972 1.00 0.00 C ATOM 452 NZ LYS A 26 0.950 -2.168 -12.659 1.00 0.00 N ATOM 0 H LYS A 26 3.563 -8.118 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 26 2.092 -5.530 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.975 -5.947 -10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.276 -7.481 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.832 -5.851 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.315 -6.291 -12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.300 -4.181 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.873 -3.749 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.926 -3.615 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.356 -4.105 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.495 -1.724 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.304 -2.132 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.826 -1.656 -12.429 1.00 0.00 H new ATOM 465 N PRO A 27 -0.007 -7.070 -8.565 1.00 0.00 N ATOM 466 CA PRO A 27 -1.378 -7.628 -8.661 1.00 0.00 C ATOM 467 C PRO A 27 -2.104 -7.175 -9.970 1.00 0.00 C ATOM 468 O PRO A 27 -2.712 -8.013 -10.636 1.00 0.00 O ATOM 469 CB PRO A 27 -2.020 -7.189 -7.331 1.00 0.00 C ATOM 470 CG PRO A 27 -1.283 -5.927 -6.903 1.00 0.00 C ATOM 471 CD PRO A 27 0.128 -6.110 -7.446 1.00 0.00 C ATOM 0 HA PRO A 27 -1.427 -8.712 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.085 -6.994 -7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.926 -7.970 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.754 -5.034 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.280 -5.817 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.544 -5.162 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.799 -6.493 -6.677 1.00 0.00 H new ATOM 479 N THR A 28 -1.986 -5.869 -10.301 1.00 0.00 N ATOM 480 CA THR A 28 -2.428 -5.187 -11.523 1.00 0.00 C ATOM 481 C THR A 28 -3.007 -3.778 -11.249 1.00 0.00 C ATOM 482 O THR A 28 -3.514 -3.513 -10.161 1.00 0.00 O ATOM 483 CB THR A 28 -2.787 -5.933 -12.846 1.00 0.00 C ATOM 484 OG1 THR A 28 -3.962 -6.717 -12.690 1.00 0.00 O ATOM 485 CG2 THR A 28 -1.614 -6.792 -13.374 1.00 0.00 C ATOM 0 H THR A 28 -1.539 -5.215 -9.659 1.00 0.00 H new ATOM 0 HA THR A 28 -1.471 -5.085 -12.035 1.00 0.00 H new ATOM 0 HB THR A 28 -2.984 -5.167 -13.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.829 -7.365 -11.967 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.914 -7.290 -14.296 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.754 -6.152 -13.571 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.346 -7.540 -12.628 1.00 0.00 H new ATOM 493 N SER A 29 -2.854 -2.830 -12.200 1.00 0.00 N ATOM 494 CA SER A 29 -3.418 -1.442 -12.095 1.00 0.00 C ATOM 495 C SER A 29 -4.904 -1.307 -11.612 1.00 0.00 C ATOM 496 O SER A 29 -5.263 -0.391 -10.869 1.00 0.00 O ATOM 497 CB SER A 29 -3.279 -0.789 -13.485 1.00 0.00 C ATOM 498 OG SER A 29 -1.929 -0.432 -13.758 1.00 0.00 O ATOM 0 H SER A 29 -2.339 -2.993 -13.065 1.00 0.00 H new ATOM 0 HA SER A 29 -2.846 -0.950 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.636 -1.478 -14.250 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.909 0.099 -13.536 1.00 0.00 H new ATOM 0 HG SER A 29 -1.872 -0.022 -14.646 1.00 0.00 H new ATOM 504 N GLU A 30 -5.720 -2.249 -12.095 1.00 0.00 N ATOM 505 CA GLU A 30 -7.146 -2.431 -11.669 1.00 0.00 C ATOM 506 C GLU A 30 -7.235 -3.215 -10.333 1.00 0.00 C ATOM 507 O GLU A 30 -7.989 -2.841 -9.439 1.00 0.00 O ATOM 508 CB GLU A 30 -7.929 -3.140 -12.807 1.00 0.00 C ATOM 509 CG GLU A 30 -9.463 -3.000 -12.711 1.00 0.00 C ATOM 510 CD GLU A 30 -10.194 -3.742 -13.832 1.00 0.00 C ATOM 511 OE1 GLU A 30 -10.616 -4.893 -13.719 1.00 0.00 O ATOM 512 OE2 GLU A 30 -10.317 -2.981 -14.967 1.00 0.00 O ATOM 0 H GLU A 30 -5.424 -2.923 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.598 -1.456 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.599 -2.736 -13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.672 -4.199 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.799 -3.383 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.730 -1.944 -12.745 1.00 0.00 H new ATOM 520 N GLU A 31 -6.456 -4.302 -10.231 1.00 0.00 N ATOM 521 CA GLU A 31 -6.268 -5.104 -8.997 1.00 0.00 C ATOM 522 C GLU A 31 -5.802 -4.321 -7.705 1.00 0.00 C ATOM 523 O GLU A 31 -6.086 -4.775 -6.593 1.00 0.00 O ATOM 524 CB GLU A 31 -5.309 -6.243 -9.435 1.00 0.00 C ATOM 525 CG GLU A 31 -5.400 -7.510 -8.547 1.00 0.00 C ATOM 526 CD GLU A 31 -6.705 -8.303 -8.701 1.00 0.00 C ATOM 527 OE1 GLU A 31 -6.931 -9.056 -9.647 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.580 -8.070 -7.670 1.00 0.00 O ATOM 0 H GLU A 31 -5.922 -4.663 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.228 -5.473 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.531 -6.516 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.285 -5.871 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.562 -8.165 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.290 -7.215 -7.503 1.00 0.00 H new ATOM 536 N ILE A 32 -5.141 -3.144 -7.854 1.00 0.00 N ATOM 537 CA ILE A 32 -4.878 -2.143 -6.766 1.00 0.00 C ATOM 538 C ILE A 32 -6.208 -1.714 -6.033 1.00 0.00 C ATOM 539 O ILE A 32 -6.233 -1.607 -4.805 1.00 0.00 O ATOM 540 CB ILE A 32 -4.038 -0.942 -7.389 1.00 0.00 C ATOM 541 CG1 ILE A 32 -2.511 -1.021 -7.087 1.00 0.00 C ATOM 542 CG2 ILE A 32 -4.498 0.503 -7.054 1.00 0.00 C ATOM 543 CD1 ILE A 32 -1.636 -1.576 -8.218 1.00 0.00 C ATOM 0 H ILE A 32 -4.763 -2.849 -8.754 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.278 -2.583 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.244 -1.108 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.157 -0.021 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.366 -1.642 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.837 1.218 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.518 0.651 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.462 0.655 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.593 -1.586 -7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.952 -2.591 -8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.740 -0.946 -9.101 1.00 0.00 H new ATOM 555 N THR A 33 -7.284 -1.492 -6.818 1.00 0.00 N ATOM 556 CA THR A 33 -8.652 -1.153 -6.331 1.00 0.00 C ATOM 557 C THR A 33 -9.263 -2.108 -5.244 1.00 0.00 C ATOM 558 O THR A 33 -9.875 -1.630 -4.286 1.00 0.00 O ATOM 559 CB THR A 33 -9.577 -0.825 -7.560 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.318 0.357 -7.274 1.00 0.00 O ATOM 561 CG2 THR A 33 -10.599 -1.902 -7.971 1.00 0.00 C ATOM 0 H THR A 33 -7.231 -1.543 -7.835 1.00 0.00 H new ATOM 0 HA THR A 33 -8.566 -0.248 -5.730 1.00 0.00 H new ATOM 0 HB THR A 33 -8.882 -0.734 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.897 0.572 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.172 -1.551 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.074 -2.820 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.275 -2.098 -7.139 1.00 0.00 H new ATOM 569 N MET A 34 -9.082 -3.435 -5.402 1.00 0.00 N ATOM 570 CA MET A 34 -9.510 -4.470 -4.412 1.00 0.00 C ATOM 571 C MET A 34 -8.814 -4.361 -3.015 1.00 0.00 C ATOM 572 O MET A 34 -9.466 -4.521 -1.981 1.00 0.00 O ATOM 573 CB MET A 34 -9.253 -5.855 -5.071 1.00 0.00 C ATOM 574 CG MET A 34 -10.210 -6.971 -4.632 1.00 0.00 C ATOM 575 SD MET A 34 -9.844 -7.500 -2.945 1.00 0.00 S ATOM 576 CE MET A 34 -11.067 -8.810 -2.738 1.00 0.00 C ATOM 0 H MET A 34 -8.631 -3.832 -6.226 1.00 0.00 H new ATOM 0 HA MET A 34 -10.565 -4.319 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.321 -5.744 -6.153 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.232 -6.163 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.240 -6.618 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.123 -7.819 -5.311 1.00 0.00 H new ATOM 0 HE1 MET A 34 -10.972 -9.242 -1.742 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.068 -8.396 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 34 -10.901 -9.585 -3.486 1.00 0.00 H new ATOM 586 N ILE A 35 -7.497 -4.078 -3.015 1.00 0.00 N ATOM 587 CA ILE A 35 -6.668 -3.821 -1.791 1.00 0.00 C ATOM 588 C ILE A 35 -7.211 -2.602 -0.975 1.00 0.00 C ATOM 589 O ILE A 35 -7.348 -2.714 0.245 1.00 0.00 O ATOM 590 CB ILE A 35 -5.146 -3.658 -2.160 1.00 0.00 C ATOM 591 CG1 ILE A 35 -4.600 -4.849 -3.000 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.243 -3.435 -0.914 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.249 -4.618 -3.670 1.00 0.00 C ATOM 0 H ILE A 35 -6.956 -4.017 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.750 -4.694 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.103 -2.759 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.519 -5.721 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.331 -5.092 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.205 -3.330 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.557 -2.530 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.332 -4.289 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.963 -5.509 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.321 -3.770 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.497 -4.409 -2.909 1.00 0.00 H new ATOM 605 N ALA A 36 -7.515 -1.472 -1.648 1.00 0.00 N ATOM 606 CA ALA A 36 -8.174 -0.294 -1.008 1.00 0.00 C ATOM 607 C ALA A 36 -9.520 -0.570 -0.271 1.00 0.00 C ATOM 608 O ALA A 36 -9.759 -0.015 0.805 1.00 0.00 O ATOM 609 CB ALA A 36 -8.391 0.798 -2.054 1.00 0.00 C ATOM 0 H ALA A 36 -7.317 -1.342 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.483 0.013 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.872 1.658 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.430 1.101 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.027 0.416 -2.853 1.00 0.00 H new ATOM 615 N ASP A 37 -10.371 -1.433 -0.860 1.00 0.00 N ATOM 616 CA ASP A 37 -11.636 -1.913 -0.243 1.00 0.00 C ATOM 617 C ASP A 37 -11.423 -2.718 1.080 1.00 0.00 C ATOM 618 O ASP A 37 -12.142 -2.484 2.055 1.00 0.00 O ATOM 619 CB ASP A 37 -12.375 -2.766 -1.313 1.00 0.00 C ATOM 620 CG ASP A 37 -13.877 -2.929 -1.054 1.00 0.00 C ATOM 621 OD1 ASP A 37 -14.358 -3.880 -0.438 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.610 -1.900 -1.586 1.00 0.00 O ATOM 0 H ASP A 37 -10.203 -1.824 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.232 -1.051 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.234 -2.305 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.915 -3.753 -1.356 1.00 0.00 H new ATOM 628 N GLN A 38 -10.428 -3.635 1.093 1.00 0.00 N ATOM 629 CA GLN A 38 -10.010 -4.409 2.301 1.00 0.00 C ATOM 630 C GLN A 38 -9.669 -3.486 3.521 1.00 0.00 C ATOM 631 O GLN A 38 -10.284 -3.658 4.578 1.00 0.00 O ATOM 632 CB GLN A 38 -8.852 -5.361 1.886 1.00 0.00 C ATOM 633 CG GLN A 38 -8.430 -6.387 2.962 1.00 0.00 C ATOM 634 CD GLN A 38 -7.273 -7.287 2.499 1.00 0.00 C ATOM 635 OE1 GLN A 38 -7.484 -8.339 1.896 1.00 0.00 O ATOM 636 NE2 GLN A 38 -6.033 -6.898 2.763 1.00 0.00 N ATOM 0 H GLN A 38 -9.884 -3.866 0.262 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.842 -5.013 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.151 -5.902 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.984 -4.758 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.134 -5.857 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.287 -7.008 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.868 -6.025 3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.244 -7.472 2.466 1.00 0.00 H new ATOM 645 N LEU A 39 -8.743 -2.511 3.367 1.00 0.00 N ATOM 646 CA LEU A 39 -8.475 -1.472 4.399 1.00 0.00 C ATOM 647 C LEU A 39 -9.384 -0.224 4.105 1.00 0.00 C ATOM 648 O LEU A 39 -10.601 -0.382 3.947 1.00 0.00 O ATOM 649 CB LEU A 39 -6.942 -1.252 4.638 1.00 0.00 C ATOM 650 CG LEU A 39 -5.912 -1.041 3.479 1.00 0.00 C ATOM 651 CD1 LEU A 39 -6.405 -0.260 2.266 1.00 0.00 C ATOM 652 CD2 LEU A 39 -4.652 -0.346 4.010 1.00 0.00 C ATOM 0 H LEU A 39 -8.163 -2.419 2.533 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.776 -1.796 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.854 -0.383 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.593 -2.114 5.207 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.717 -2.053 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.602 -0.181 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.254 -0.779 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.713 0.739 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.943 -0.205 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.921 0.624 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.196 -0.962 4.785 1.00 0.00 H new ATOM 664 N ASN A 40 -8.832 1.004 4.092 1.00 0.00 N ATOM 665 CA ASN A 40 -9.585 2.250 3.782 1.00 0.00 C ATOM 666 C ASN A 40 -8.553 3.252 3.175 1.00 0.00 C ATOM 667 O ASN A 40 -8.095 4.179 3.853 1.00 0.00 O ATOM 668 CB ASN A 40 -10.319 2.745 5.065 1.00 0.00 C ATOM 669 CG ASN A 40 -11.367 3.831 4.861 1.00 0.00 C ATOM 670 OD1 ASN A 40 -11.240 4.760 4.066 1.00 0.00 O ATOM 671 ND2 ASN A 40 -12.369 3.780 5.711 1.00 0.00 N ATOM 0 H ASN A 40 -7.846 1.168 4.296 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.379 2.110 3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.800 1.888 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.572 3.117 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.067 4.524 5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.449 2.996 6.359 1.00 0.00 H new ATOM 678 N MET A 41 -8.199 3.044 1.891 1.00 0.00 N ATOM 679 CA MET A 41 -7.143 3.840 1.195 1.00 0.00 C ATOM 680 C MET A 41 -7.606 4.558 -0.100 1.00 0.00 C ATOM 681 O MET A 41 -8.553 4.129 -0.766 1.00 0.00 O ATOM 682 CB MET A 41 -5.995 2.862 0.747 1.00 0.00 C ATOM 683 CG MET A 41 -4.805 2.600 1.677 1.00 0.00 C ATOM 684 SD MET A 41 -4.591 3.970 2.817 1.00 0.00 S ATOM 685 CE MET A 41 -3.638 4.962 1.674 1.00 0.00 C ATOM 0 H MET A 41 -8.627 2.328 1.303 1.00 0.00 H new ATOM 0 HA MET A 41 -6.840 4.601 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.456 1.898 0.531 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.594 3.241 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.966 1.677 2.234 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.898 2.463 1.088 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.661 5.179 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.508 4.416 0.740 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.163 5.897 1.478 1.00 0.00 H new ATOM 695 N GLU A 42 -6.841 5.615 -0.491 1.00 0.00 N ATOM 696 CA GLU A 42 -6.871 6.128 -1.894 1.00 0.00 C ATOM 697 C GLU A 42 -6.055 5.163 -2.817 1.00 0.00 C ATOM 698 O GLU A 42 -5.448 4.209 -2.328 1.00 0.00 O ATOM 699 CB GLU A 42 -6.621 7.651 -2.074 1.00 0.00 C ATOM 700 CG GLU A 42 -7.803 8.532 -1.620 1.00 0.00 C ATOM 701 CD GLU A 42 -7.606 10.030 -1.846 1.00 0.00 C ATOM 702 OE1 GLU A 42 -7.354 10.824 -0.941 1.00 0.00 O ATOM 703 OE2 GLU A 42 -7.754 10.382 -3.163 1.00 0.00 O ATOM 0 H GLU A 42 -6.208 6.120 0.129 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.905 6.098 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.732 7.933 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.411 7.854 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.701 8.213 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.981 8.359 -0.559 1.00 0.00 H new ATOM 711 N LYS A 43 -6.151 5.263 -4.150 1.00 0.00 N ATOM 712 CA LYS A 43 -5.357 4.390 -5.093 1.00 0.00 C ATOM 713 C LYS A 43 -4.068 4.854 -5.791 1.00 0.00 C ATOM 714 O LYS A 43 -3.175 4.053 -6.084 1.00 0.00 O ATOM 715 CB LYS A 43 -6.302 3.541 -5.923 1.00 0.00 C ATOM 716 CG LYS A 43 -6.912 2.421 -5.024 1.00 0.00 C ATOM 717 CD LYS A 43 -8.451 2.405 -5.141 1.00 0.00 C ATOM 718 CE LYS A 43 -9.182 3.579 -4.456 1.00 0.00 C ATOM 719 NZ LYS A 43 -10.645 3.429 -4.540 1.00 0.00 N ATOM 0 H LYS A 43 -6.762 5.930 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.778 3.792 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.095 4.161 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.768 3.098 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.510 1.452 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.623 2.583 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.718 2.401 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.821 1.472 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.881 3.635 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.884 4.517 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.104 4.235 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.934 3.400 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.931 2.546 -4.071 1.00 0.00 H new ATOM 732 N GLU A 44 -4.029 6.144 -6.103 1.00 0.00 N ATOM 733 CA GLU A 44 -2.797 6.839 -6.623 1.00 0.00 C ATOM 734 C GLU A 44 -1.567 6.603 -5.672 1.00 0.00 C ATOM 735 O GLU A 44 -0.520 6.129 -6.099 1.00 0.00 O ATOM 736 CB GLU A 44 -3.124 8.341 -6.839 1.00 0.00 C ATOM 737 CG GLU A 44 -2.056 9.126 -7.631 1.00 0.00 C ATOM 738 CD GLU A 44 -2.408 10.607 -7.788 1.00 0.00 C ATOM 739 OE1 GLU A 44 -2.919 11.078 -8.803 1.00 0.00 O ATOM 740 OE2 GLU A 44 -2.090 11.337 -6.670 1.00 0.00 O ATOM 0 H GLU A 44 -4.836 6.761 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.505 6.416 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.076 8.420 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.256 8.814 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.095 9.037 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.939 8.678 -8.618 1.00 0.00 H new ATOM 748 N VAL A 45 -1.836 6.854 -4.386 1.00 0.00 N ATOM 749 CA VAL A 45 -1.055 6.477 -3.174 1.00 0.00 C ATOM 750 C VAL A 45 -0.621 4.978 -3.075 1.00 0.00 C ATOM 751 O VAL A 45 0.538 4.726 -2.762 1.00 0.00 O ATOM 752 CB VAL A 45 -1.987 6.904 -1.985 1.00 0.00 C ATOM 753 CG1 VAL A 45 -3.409 6.374 -2.022 1.00 0.00 C ATOM 754 CG2 VAL A 45 -1.580 6.556 -0.557 1.00 0.00 C ATOM 0 H VAL A 45 -2.677 7.371 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.086 6.977 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.891 7.972 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.955 6.736 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.903 6.721 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.391 5.284 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.336 6.925 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.492 5.474 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.621 7.020 -0.329 1.00 0.00 H new ATOM 764 N ILE A 46 -1.540 4.018 -3.294 1.00 0.00 N ATOM 765 CA ILE A 46 -1.223 2.536 -3.289 1.00 0.00 C ATOM 766 C ILE A 46 -0.222 2.159 -4.423 1.00 0.00 C ATOM 767 O ILE A 46 0.765 1.477 -4.160 1.00 0.00 O ATOM 768 CB ILE A 46 -2.372 1.492 -3.270 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.310 1.815 -2.091 1.00 0.00 C ATOM 770 CG2 ILE A 46 -1.856 0.013 -3.130 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.584 1.037 -2.205 1.00 0.00 C ATOM 0 H ILE A 46 -2.522 4.223 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.796 2.448 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.893 1.558 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.815 1.577 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.529 2.883 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.706 -0.670 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.205 -0.226 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.299 -0.091 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.234 1.278 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.086 1.296 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.361 -0.030 -2.197 1.00 0.00 H new ATOM 783 N ARG A 47 -0.538 2.562 -5.667 1.00 0.00 N ATOM 784 CA ARG A 47 0.341 2.361 -6.856 1.00 0.00 C ATOM 785 C ARG A 47 1.743 3.054 -6.693 1.00 0.00 C ATOM 786 O ARG A 47 2.750 2.476 -7.095 1.00 0.00 O ATOM 787 CB ARG A 47 -0.441 2.821 -8.114 1.00 0.00 C ATOM 788 CG ARG A 47 0.213 2.420 -9.453 1.00 0.00 C ATOM 789 CD ARG A 47 -0.670 2.756 -10.667 1.00 0.00 C ATOM 790 NE ARG A 47 0.018 2.400 -11.930 1.00 0.00 N ATOM 791 CZ ARG A 47 -0.524 2.527 -13.156 1.00 0.00 C ATOM 792 NH1 ARG A 47 -1.758 2.975 -13.383 1.00 0.00 N ATOM 793 NH2 ARG A 47 0.213 2.183 -14.196 1.00 0.00 N ATOM 0 H ARG A 47 -1.412 3.039 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 47 0.585 1.304 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.447 2.402 -8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.546 3.906 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.171 2.931 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.422 1.350 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.614 2.216 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.910 3.819 -10.665 1.00 0.00 H new ATOM 0 HE ARG A 47 0.968 2.033 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.354 3.247 -12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.107 3.046 -14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.161 1.834 -14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.166 2.266 -15.139 1.00 0.00 H new ATOM 806 N VAL A 48 1.780 4.263 -6.086 1.00 0.00 N ATOM 807 CA VAL A 48 3.010 4.985 -5.654 1.00 0.00 C ATOM 808 C VAL A 48 3.768 4.197 -4.530 1.00 0.00 C ATOM 809 O VAL A 48 4.980 4.014 -4.664 1.00 0.00 O ATOM 810 CB VAL A 48 2.593 6.465 -5.306 1.00 0.00 C ATOM 811 CG1 VAL A 48 3.300 7.134 -4.116 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.679 7.387 -6.543 1.00 0.00 C ATOM 0 H VAL A 48 0.929 4.784 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 48 3.754 5.044 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 48 1.561 6.342 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.918 8.147 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.111 6.558 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.373 7.171 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.384 8.399 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.702 7.398 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.011 7.016 -7.321 1.00 0.00 H new ATOM 822 N TRP A 49 3.087 3.743 -3.445 1.00 0.00 N ATOM 823 CA TRP A 49 3.705 2.871 -2.400 1.00 0.00 C ATOM 824 C TRP A 49 4.293 1.546 -2.986 1.00 0.00 C ATOM 825 O TRP A 49 5.396 1.153 -2.603 1.00 0.00 O ATOM 826 CB TRP A 49 2.690 2.561 -1.256 1.00 0.00 C ATOM 827 CG TRP A 49 3.367 2.014 0.014 1.00 0.00 C ATOM 828 CD1 TRP A 49 4.078 2.780 0.956 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.715 0.702 0.275 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.864 1.977 1.804 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.656 0.692 1.332 1.00 0.00 C ATOM 832 CE3 TRP A 49 3.410 -0.489 -0.424 1.00 0.00 C ATOM 833 CZ2 TRP A 49 5.352 -0.500 1.643 1.00 0.00 C ATOM 834 CZ3 TRP A 49 4.126 -1.646 -0.118 1.00 0.00 C ATOM 835 CH2 TRP A 49 5.123 -1.630 0.864 1.00 0.00 C ATOM 0 H TRP A 49 2.107 3.965 -3.267 1.00 0.00 H new ATOM 0 HA TRP A 49 4.541 3.434 -1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.142 3.470 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.959 1.836 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.027 3.857 1.021 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.450 2.273 2.584 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.638 -0.502 -1.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.047 -0.532 2.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.909 -2.564 -0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.726 -2.512 1.020 1.00 0.00 H new ATOM 846 N PHE A 50 3.550 0.871 -3.886 1.00 0.00 N ATOM 847 CA PHE A 50 4.007 -0.324 -4.616 1.00 0.00 C ATOM 848 C PHE A 50 5.230 -0.028 -5.544 1.00 0.00 C ATOM 849 O PHE A 50 6.188 -0.794 -5.491 1.00 0.00 O ATOM 850 CB PHE A 50 2.770 -0.956 -5.326 1.00 0.00 C ATOM 851 CG PHE A 50 1.782 -1.857 -4.531 1.00 0.00 C ATOM 852 CD1 PHE A 50 2.116 -2.424 -3.300 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.605 -2.278 -5.153 1.00 0.00 C ATOM 854 CE1 PHE A 50 1.406 -3.495 -2.787 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.150 -3.317 -4.612 1.00 0.00 C ATOM 856 CZ PHE A 50 0.285 -3.970 -3.456 1.00 0.00 C ATOM 0 H PHE A 50 2.599 1.148 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 50 4.407 -1.067 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.189 -0.137 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.145 -1.548 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.944 -2.019 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.277 -1.794 -6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.723 -3.962 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.072 -3.618 -5.087 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.245 -4.835 -3.086 1.00 0.00 H new ATOM 866 N CYS A 51 5.247 1.080 -6.322 1.00 0.00 N ATOM 867 CA CYS A 51 6.454 1.555 -7.078 1.00 0.00 C ATOM 868 C CYS A 51 7.757 1.781 -6.238 1.00 0.00 C ATOM 869 O CYS A 51 8.868 1.530 -6.711 1.00 0.00 O ATOM 870 CB CYS A 51 6.104 2.891 -7.770 1.00 0.00 C ATOM 871 SG CYS A 51 7.170 3.137 -9.230 1.00 0.00 S ATOM 0 H CYS A 51 4.430 1.677 -6.450 1.00 0.00 H new ATOM 0 HA CYS A 51 6.686 0.745 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.056 2.891 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.235 3.717 -7.071 1.00 0.00 H new ATOM 0 HG CYS A 51 6.865 4.262 -9.805 1.00 0.00 H new ATOM 877 N ASN A 52 7.567 2.198 -4.974 1.00 0.00 N ATOM 878 CA ASN A 52 8.648 2.427 -3.978 1.00 0.00 C ATOM 879 C ASN A 52 9.121 1.055 -3.384 1.00 0.00 C ATOM 880 O ASN A 52 10.328 0.799 -3.393 1.00 0.00 O ATOM 881 CB ASN A 52 8.073 3.419 -2.920 1.00 0.00 C ATOM 882 CG ASN A 52 9.082 3.969 -1.894 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.799 3.225 -1.230 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.126 5.279 -1.708 1.00 0.00 N ATOM 0 H ASN A 52 6.638 2.392 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 52 9.543 2.870 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.624 4.261 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.271 2.918 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.757 5.674 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.529 5.893 -2.262 1.00 0.00 H new ATOM 891 N ARG A 53 8.207 0.166 -2.929 1.00 0.00 N ATOM 892 CA ARG A 53 8.533 -1.220 -2.502 1.00 0.00 C ATOM 893 C ARG A 53 9.210 -2.145 -3.562 1.00 0.00 C ATOM 894 O ARG A 53 10.056 -2.966 -3.213 1.00 0.00 O ATOM 895 CB ARG A 53 7.194 -1.828 -2.002 1.00 0.00 C ATOM 896 CG ARG A 53 7.308 -3.125 -1.179 1.00 0.00 C ATOM 897 CD ARG A 53 8.234 -2.983 0.041 1.00 0.00 C ATOM 898 NE ARG A 53 7.980 -3.686 1.325 1.00 0.00 N ATOM 899 CZ ARG A 53 7.567 -4.957 1.471 1.00 0.00 C ATOM 900 NH1 ARG A 53 7.248 -5.764 0.480 1.00 0.00 N ATOM 901 NH2 ARG A 53 7.444 -5.438 2.678 1.00 0.00 N ATOM 0 H ARG A 53 7.215 0.390 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 53 9.305 -1.159 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.682 -1.080 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.561 -2.025 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.315 -3.423 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.681 -3.924 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.229 -3.283 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.282 -1.919 0.273 1.00 0.00 H new ATOM 0 HE ARG A 53 8.134 -3.152 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.306 -5.436 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.943 -6.717 0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.660 -4.852 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.132 -6.400 2.814 1.00 0.00 H new ATOM 914 N ARG A 54 8.824 -2.004 -4.838 1.00 0.00 N ATOM 915 CA ARG A 54 9.438 -2.725 -6.001 1.00 0.00 C ATOM 916 C ARG A 54 10.995 -2.563 -6.137 1.00 0.00 C ATOM 917 O ARG A 54 11.657 -3.503 -6.584 1.00 0.00 O ATOM 918 CB ARG A 54 8.741 -2.322 -7.339 1.00 0.00 C ATOM 919 CG ARG A 54 7.345 -2.945 -7.566 1.00 0.00 C ATOM 920 CD ARG A 54 6.574 -2.399 -8.783 1.00 0.00 C ATOM 921 NE ARG A 54 5.161 -2.864 -8.740 1.00 0.00 N ATOM 922 CZ ARG A 54 4.071 -2.090 -8.920 1.00 0.00 C ATOM 923 NH1 ARG A 54 4.115 -0.790 -9.203 1.00 0.00 N ATOM 924 NH2 ARG A 54 2.884 -2.654 -8.802 1.00 0.00 N ATOM 0 H ARG A 54 8.066 -1.380 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 54 9.268 -3.781 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.646 -1.237 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.388 -2.608 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.460 -4.023 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.743 -2.783 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.607 -1.310 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.048 -2.735 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 54 5.003 -3.855 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.015 -0.319 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.249 -0.265 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.811 -3.647 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.039 -2.097 -8.932 1.00 0.00 H new