USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 269 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 151:sc= -0.0581 (180deg=-1.58) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 173:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.143 K(o=-0.14,f=-13!) USER MOD Single : A 31 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.6) USER MOD Single : A 33 THR OG1 : rot -37:sc= 0.0151 USER MOD Single : A 34 ASN : amide:sc=-0.000308 X(o=-0.00031,f=0.0076) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N LYS A 10 -7.308 -2.756 1.256 1.00 0.00 N ATOM 129 CA LYS A 10 -6.704 -3.715 2.163 1.00 0.00 C ATOM 130 C LYS A 10 -5.683 -4.492 1.345 1.00 0.00 C ATOM 131 O LYS A 10 -6.028 -5.456 0.662 1.00 0.00 O ATOM 132 CB LYS A 10 -7.778 -4.635 2.775 1.00 0.00 C ATOM 133 CG LYS A 10 -8.766 -3.950 3.739 1.00 0.00 C ATOM 134 CD LYS A 10 -8.117 -3.138 4.867 1.00 0.00 C ATOM 135 CE LYS A 10 -7.813 -1.702 4.413 1.00 0.00 C ATOM 136 NZ LYS A 10 -7.294 -0.876 5.516 1.00 0.00 N ATOM 0 HA LYS A 10 -6.217 -3.223 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.346 -5.091 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.278 -5.443 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.413 -3.289 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.405 -4.713 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.781 -3.116 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.195 -3.625 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.085 -1.724 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.720 -1.247 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.101 0.085 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.999 -0.834 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.415 -1.295 5.880 1.00 0.00 H new ATOM 150 N LEU A 11 -4.423 -4.059 1.422 1.00 0.00 N ATOM 151 CA LEU A 11 -3.297 -4.666 0.727 1.00 0.00 C ATOM 152 C LEU A 11 -3.210 -6.173 1.001 1.00 0.00 C ATOM 153 O LEU A 11 -3.682 -6.632 2.046 1.00 0.00 O ATOM 154 CB LEU A 11 -2.000 -3.927 1.130 1.00 0.00 C ATOM 155 CG LEU A 11 -1.736 -2.662 0.292 1.00 0.00 C ATOM 156 CD1 LEU A 11 -1.395 -2.998 -1.166 1.00 0.00 C ATOM 157 CD2 LEU A 11 -2.921 -1.688 0.335 1.00 0.00 C ATOM 0 H LEU A 11 -4.155 -3.253 1.987 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.440 -4.563 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.059 -3.651 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.155 -4.607 1.025 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.872 -2.176 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.217 -2.076 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.500 -3.619 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.226 -3.538 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.692 -0.810 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.810 -2.179 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.103 -1.382 1.365 1.00 0.00 H new ATOM 169 N PRO A 12 -2.597 -6.945 0.087 1.00 0.00 N ATOM 170 CA PRO A 12 -2.469 -8.385 0.240 1.00 0.00 C ATOM 171 C PRO A 12 -1.546 -8.779 1.392 1.00 0.00 C ATOM 172 O PRO A 12 -0.800 -7.943 1.909 1.00 0.00 O ATOM 173 CB PRO A 12 -1.872 -8.894 -1.073 1.00 0.00 C ATOM 174 CG PRO A 12 -1.229 -7.680 -1.719 1.00 0.00 C ATOM 175 CD PRO A 12 -1.999 -6.499 -1.163 1.00 0.00 C ATOM 0 HA PRO A 12 -3.445 -8.815 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.137 -9.679 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.642 -9.320 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.169 -7.614 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.301 -7.724 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.337 -5.649 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.766 -6.171 -1.865 1.00 0.00 H new ATOM 183 N PRO A 13 -1.546 -10.065 1.775 1.00 0.00 N ATOM 184 CA PRO A 13 -0.696 -10.546 2.832 1.00 0.00 C ATOM 185 C PRO A 13 0.763 -10.381 2.400 1.00 0.00 C ATOM 186 O PRO A 13 1.181 -10.761 1.300 1.00 0.00 O ATOM 187 CB PRO A 13 -1.111 -11.992 3.093 1.00 0.00 C ATOM 188 CG PRO A 13 -1.734 -12.434 1.770 1.00 0.00 C ATOM 189 CD PRO A 13 -2.358 -11.148 1.247 1.00 0.00 C ATOM 0 HA PRO A 13 -0.796 -9.990 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.255 -12.612 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.824 -12.062 3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.986 -12.830 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.479 -13.216 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.367 -11.134 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.393 -11.055 1.575 1.00 0.00 H new ATOM 197 N GLY A 14 1.528 -9.788 3.301 1.00 0.00 N ATOM 198 CA GLY A 14 2.941 -9.497 3.179 1.00 0.00 C ATOM 199 C GLY A 14 3.169 -8.032 2.878 1.00 0.00 C ATOM 200 O GLY A 14 4.209 -7.499 3.257 1.00 0.00 O ATOM 0 H GLY A 14 1.150 -9.478 4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.452 -9.766 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.374 -10.107 2.386 1.00 0.00 H new ATOM 204 N TRP A 15 2.230 -7.353 2.218 1.00 0.00 N ATOM 205 CA TRP A 15 2.362 -5.951 1.880 1.00 0.00 C ATOM 206 C TRP A 15 1.690 -5.070 2.921 1.00 0.00 C ATOM 207 O TRP A 15 0.742 -5.479 3.595 1.00 0.00 O ATOM 208 CB TRP A 15 1.762 -5.719 0.501 1.00 0.00 C ATOM 209 CG TRP A 15 2.524 -6.394 -0.591 1.00 0.00 C ATOM 210 CD1 TRP A 15 2.394 -7.675 -1.000 1.00 0.00 C ATOM 211 CD2 TRP A 15 3.565 -5.817 -1.424 1.00 0.00 C ATOM 212 NE1 TRP A 15 3.203 -7.892 -2.094 1.00 0.00 N ATOM 213 CE2 TRP A 15 3.956 -6.777 -2.401 1.00 0.00 C ATOM 214 CE3 TRP A 15 4.175 -4.550 -1.470 1.00 0.00 C ATOM 215 CZ2 TRP A 15 4.888 -6.472 -3.402 1.00 0.00 C ATOM 216 CZ3 TRP A 15 5.104 -4.232 -2.475 1.00 0.00 C ATOM 217 CH2 TRP A 15 5.460 -5.190 -3.440 1.00 0.00 C ATOM 0 H TRP A 15 1.354 -7.771 1.905 1.00 0.00 H new ATOM 0 HA TRP A 15 3.418 -5.682 1.866 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.733 -6.079 0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.726 -4.648 0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.755 -8.414 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.241 -8.769 -2.613 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.926 -3.812 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.163 -7.215 -4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.546 -3.247 -2.506 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.174 -4.940 -4.211 1.00 0.00 H new ATOM 228 N GLU A 16 2.140 -3.822 2.969 1.00 0.00 N ATOM 229 CA GLU A 16 1.702 -2.769 3.859 1.00 0.00 C ATOM 230 C GLU A 16 1.779 -1.447 3.110 1.00 0.00 C ATOM 231 O GLU A 16 2.810 -1.146 2.506 1.00 0.00 O ATOM 232 CB GLU A 16 2.665 -2.713 5.055 1.00 0.00 C ATOM 233 CG GLU A 16 2.277 -3.701 6.158 1.00 0.00 C ATOM 234 CD GLU A 16 1.238 -3.110 7.118 1.00 0.00 C ATOM 235 OE1 GLU A 16 0.175 -2.633 6.655 1.00 0.00 O ATOM 236 OE2 GLU A 16 1.525 -3.102 8.341 1.00 0.00 O ATOM 0 H GLU A 16 2.875 -3.502 2.338 1.00 0.00 H new ATOM 0 HA GLU A 16 0.684 -2.953 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.677 -2.931 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.676 -1.702 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.879 -4.610 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.167 -3.987 6.718 1.00 0.00 H new ATOM 243 N LYS A 17 0.697 -0.671 3.102 1.00 0.00 N ATOM 244 CA LYS A 17 0.656 0.629 2.443 1.00 0.00 C ATOM 245 C LYS A 17 1.214 1.667 3.404 1.00 0.00 C ATOM 246 O LYS A 17 0.641 1.862 4.480 1.00 0.00 O ATOM 247 CB LYS A 17 -0.793 0.940 2.073 1.00 0.00 C ATOM 248 CG LYS A 17 -0.976 2.329 1.450 1.00 0.00 C ATOM 249 CD LYS A 17 -2.469 2.547 1.176 1.00 0.00 C ATOM 250 CE LYS A 17 -2.648 3.871 0.446 1.00 0.00 C ATOM 251 NZ LYS A 17 -4.041 4.068 0.012 1.00 0.00 N ATOM 0 H LYS A 17 -0.179 -0.929 3.555 1.00 0.00 H new ATOM 0 HA LYS A 17 1.255 0.635 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.152 0.185 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.413 0.866 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.598 3.099 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.406 2.407 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.865 1.729 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.027 2.554 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.351 4.691 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.989 3.901 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.125 4.980 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.316 3.299 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.667 4.065 0.842 1.00 0.00 H new ATOM 265 N ARG A 18 2.288 2.355 3.031 1.00 0.00 N ATOM 266 CA ARG A 18 2.915 3.377 3.863 1.00 0.00 C ATOM 267 C ARG A 18 3.168 4.635 3.041 1.00 0.00 C ATOM 268 O ARG A 18 2.750 4.740 1.889 1.00 0.00 O ATOM 269 CB ARG A 18 4.215 2.859 4.499 1.00 0.00 C ATOM 270 CG ARG A 18 4.143 1.450 5.129 1.00 0.00 C ATOM 271 CD ARG A 18 5.050 1.290 6.362 1.00 0.00 C ATOM 272 NE ARG A 18 5.034 -0.107 6.839 1.00 0.00 N ATOM 273 CZ ARG A 18 4.687 -0.598 8.037 1.00 0.00 C ATOM 274 NH1 ARG A 18 4.501 0.190 9.087 1.00 0.00 N ATOM 275 NH2 ARG A 18 4.534 -1.908 8.175 1.00 0.00 N ATOM 0 H ARG A 18 2.753 2.218 2.133 1.00 0.00 H new ATOM 0 HA ARG A 18 2.234 3.625 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.994 2.855 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.526 3.565 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.112 1.239 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.425 0.710 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.069 1.583 6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.714 1.956 7.157 1.00 0.00 H new ATOM 0 HE ARG A 18 5.331 -0.802 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.622 1.199 8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.237 -0.212 9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.680 -2.525 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.270 -2.298 9.080 1.00 0.00 H new ATOM 289 N MET A 19 3.818 5.625 3.643 1.00 0.00 N ATOM 290 CA MET A 19 4.171 6.897 3.057 1.00 0.00 C ATOM 291 C MET A 19 5.639 7.162 3.379 1.00 0.00 C ATOM 292 O MET A 19 6.134 6.749 4.431 1.00 0.00 O ATOM 293 CB MET A 19 3.228 7.959 3.638 1.00 0.00 C ATOM 294 CG MET A 19 3.384 9.322 2.972 1.00 0.00 C ATOM 295 SD MET A 19 2.201 10.534 3.622 1.00 0.00 S ATOM 296 CE MET A 19 1.706 11.422 2.120 1.00 0.00 C ATOM 0 H MET A 19 4.128 5.548 4.612 1.00 0.00 H new ATOM 0 HA MET A 19 4.059 6.913 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.197 7.622 3.527 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.417 8.059 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.399 9.687 3.127 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.243 9.218 1.896 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.689 11.795 2.237 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.383 12.260 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.748 10.745 1.267 1.00 0.00 H new ATOM 306 N GLU A 20 6.355 7.789 2.455 1.00 0.00 N ATOM 307 CA GLU A 20 7.767 8.135 2.593 1.00 0.00 C ATOM 308 C GLU A 20 7.948 9.409 3.392 1.00 0.00 C ATOM 309 O GLU A 20 7.312 10.398 3.039 1.00 0.00 O ATOM 310 CB GLU A 20 8.357 8.469 1.211 1.00 0.00 C ATOM 311 CG GLU A 20 9.372 7.431 0.772 1.00 0.00 C ATOM 312 CD GLU A 20 10.691 7.487 1.538 1.00 0.00 C ATOM 313 OE1 GLU A 20 10.830 8.282 2.496 1.00 0.00 O ATOM 314 OE2 GLU A 20 11.602 6.709 1.174 1.00 0.00 O ATOM 0 H GLU A 20 5.959 8.080 1.561 1.00 0.00 H new ATOM 0 HA GLU A 20 8.248 7.284 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.554 8.527 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.830 9.450 1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.936 6.439 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.575 7.564 -0.291 1.00 0.00 H new ATOM 321 N ARG A 21 8.768 9.429 4.445 1.00 0.00 N ATOM 322 CA ARG A 21 8.978 10.687 5.150 1.00 0.00 C ATOM 323 C ARG A 21 9.875 11.601 4.305 1.00 0.00 C ATOM 324 O ARG A 21 9.883 12.797 4.559 1.00 0.00 O ATOM 325 CB ARG A 21 9.537 10.469 6.564 1.00 0.00 C ATOM 326 CG ARG A 21 9.401 11.763 7.397 1.00 0.00 C ATOM 327 CD ARG A 21 9.644 11.554 8.891 1.00 0.00 C ATOM 328 NE ARG A 21 8.559 10.781 9.501 1.00 0.00 N ATOM 329 CZ ARG A 21 8.531 9.470 9.741 1.00 0.00 C ATOM 330 NH1 ARG A 21 9.639 8.734 9.699 1.00 0.00 N ATOM 331 NH2 ARG A 21 7.353 8.914 9.994 1.00 0.00 N ATOM 0 H ARG A 21 9.276 8.625 4.813 1.00 0.00 H new ATOM 0 HA ARG A 21 8.014 11.178 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.002 9.655 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.584 10.173 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.108 12.503 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.402 12.175 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.591 11.036 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.729 12.521 9.387 1.00 0.00 H new ATOM 0 HE ARG A 21 7.729 11.307 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.534 9.172 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.593 7.732 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.509 9.487 10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.291 7.913 10.182 1.00 0.00 H new ATOM 345 N SER A 22 10.570 11.100 3.271 1.00 0.00 N ATOM 346 CA SER A 22 11.454 11.903 2.433 1.00 0.00 C ATOM 347 C SER A 22 10.687 13.099 1.851 1.00 0.00 C ATOM 348 O SER A 22 11.071 14.242 2.106 1.00 0.00 O ATOM 349 CB SER A 22 12.073 11.005 1.357 1.00 0.00 C ATOM 350 OG SER A 22 13.044 11.694 0.595 1.00 0.00 O ATOM 0 H SER A 22 10.529 10.118 2.997 1.00 0.00 H new ATOM 0 HA SER A 22 12.270 12.319 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.531 10.135 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.289 10.634 0.697 1.00 0.00 H new ATOM 0 HG SER A 22 13.419 11.090 -0.080 1.00 0.00 H new ATOM 356 N SER A 23 9.583 12.854 1.136 1.00 0.00 N ATOM 357 CA SER A 23 8.752 13.902 0.546 1.00 0.00 C ATOM 358 C SER A 23 7.256 13.665 0.775 1.00 0.00 C ATOM 359 O SER A 23 6.450 14.532 0.425 1.00 0.00 O ATOM 360 CB SER A 23 9.065 14.043 -0.939 1.00 0.00 C ATOM 361 OG SER A 23 10.304 14.704 -1.130 1.00 0.00 O ATOM 0 H SER A 23 9.240 11.911 0.951 1.00 0.00 H new ATOM 0 HA SER A 23 8.995 14.837 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.098 13.058 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.269 14.602 -1.432 1.00 0.00 H new ATOM 0 HG SER A 23 10.488 14.783 -2.089 1.00 0.00 H new ATOM 367 N GLY A 24 6.848 12.542 1.369 1.00 0.00 N ATOM 368 CA GLY A 24 5.447 12.282 1.629 1.00 0.00 C ATOM 369 C GLY A 24 4.824 11.653 0.407 1.00 0.00 C ATOM 370 O GLY A 24 3.864 12.202 -0.126 1.00 0.00 O ATOM 0 H GLY A 24 7.477 11.801 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.341 11.619 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.932 13.210 1.877 1.00 0.00 H new ATOM 374 N ARG A 25 5.344 10.518 -0.062 1.00 0.00 N ATOM 375 CA ARG A 25 4.803 9.846 -1.235 1.00 0.00 C ATOM 376 C ARG A 25 4.290 8.498 -0.772 1.00 0.00 C ATOM 377 O ARG A 25 4.996 7.784 -0.061 1.00 0.00 O ATOM 378 CB ARG A 25 5.890 9.788 -2.315 1.00 0.00 C ATOM 379 CG ARG A 25 5.307 9.573 -3.716 1.00 0.00 C ATOM 380 CD ARG A 25 4.584 10.815 -4.257 1.00 0.00 C ATOM 381 NE ARG A 25 4.113 10.586 -5.630 1.00 0.00 N ATOM 382 CZ ARG A 25 3.035 9.885 -5.999 1.00 0.00 C ATOM 383 NH1 ARG A 25 2.075 9.610 -5.119 1.00 0.00 N ATOM 384 NH2 ARG A 25 2.926 9.449 -7.244 1.00 0.00 N ATOM 0 H ARG A 25 6.144 10.046 0.359 1.00 0.00 H new ATOM 0 HA ARG A 25 3.966 10.372 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.463 10.715 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.585 8.980 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.110 9.299 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.610 8.735 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.739 11.059 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.258 11.672 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 25 4.665 11.005 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.158 9.934 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.256 9.075 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.663 9.648 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.105 8.914 -7.527 1.00 0.00 H new ATOM 398 N VAL A 26 3.039 8.181 -1.068 1.00 0.00 N ATOM 399 CA VAL A 26 2.444 6.915 -0.654 1.00 0.00 C ATOM 400 C VAL A 26 3.044 5.798 -1.505 1.00 0.00 C ATOM 401 O VAL A 26 3.405 6.037 -2.660 1.00 0.00 O ATOM 402 CB VAL A 26 0.909 6.979 -0.748 1.00 0.00 C ATOM 403 CG1 VAL A 26 0.268 5.803 0.009 1.00 0.00 C ATOM 404 CG2 VAL A 26 0.369 8.293 -0.156 1.00 0.00 C ATOM 0 H VAL A 26 2.411 8.786 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 26 2.672 6.709 0.392 1.00 0.00 H new ATOM 0 HB VAL A 26 0.650 6.925 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.817 5.868 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.608 4.863 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.558 5.845 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.718 8.309 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.656 8.364 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.786 9.138 -0.704 1.00 0.00 H new ATOM 414 N TYR A 27 3.167 4.590 -0.955 1.00 0.00 N ATOM 415 CA TYR A 27 3.729 3.431 -1.637 1.00 0.00 C ATOM 416 C TYR A 27 3.283 2.174 -0.890 1.00 0.00 C ATOM 417 O TYR A 27 2.486 2.256 0.050 1.00 0.00 O ATOM 418 CB TYR A 27 5.263 3.529 -1.710 1.00 0.00 C ATOM 419 CG TYR A 27 6.002 3.327 -0.402 1.00 0.00 C ATOM 420 CD1 TYR A 27 5.890 4.272 0.631 1.00 0.00 C ATOM 421 CD2 TYR A 27 6.824 2.201 -0.227 1.00 0.00 C ATOM 422 CE1 TYR A 27 6.622 4.121 1.813 1.00 0.00 C ATOM 423 CE2 TYR A 27 7.527 2.013 0.974 1.00 0.00 C ATOM 424 CZ TYR A 27 7.445 2.991 1.997 1.00 0.00 C ATOM 425 OH TYR A 27 8.114 2.842 3.170 1.00 0.00 O ATOM 0 H TYR A 27 2.871 4.389 -0.000 1.00 0.00 H new ATOM 0 HA TYR A 27 3.368 3.390 -2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.621 2.789 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.527 4.510 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.234 5.121 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.916 1.475 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.557 4.872 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.128 1.127 1.118 1.00 0.00 H new ATOM 0 HH TYR A 27 8.638 2.014 3.145 1.00 0.00 H new ATOM 435 N TYR A 28 3.744 1.013 -1.348 1.00 0.00 N ATOM 436 CA TYR A 28 3.467 -0.283 -0.741 1.00 0.00 C ATOM 437 C TYR A 28 4.812 -0.917 -0.400 1.00 0.00 C ATOM 438 O TYR A 28 5.766 -0.780 -1.166 1.00 0.00 O ATOM 439 CB TYR A 28 2.652 -1.165 -1.684 1.00 0.00 C ATOM 440 CG TYR A 28 1.377 -0.517 -2.176 1.00 0.00 C ATOM 441 CD1 TYR A 28 0.376 -0.124 -1.272 1.00 0.00 C ATOM 442 CD2 TYR A 28 1.199 -0.294 -3.547 1.00 0.00 C ATOM 443 CE1 TYR A 28 -0.814 0.472 -1.732 1.00 0.00 C ATOM 444 CE2 TYR A 28 0.003 0.264 -4.016 1.00 0.00 C ATOM 445 CZ TYR A 28 -1.015 0.649 -3.123 1.00 0.00 C ATOM 446 OH TYR A 28 -2.119 1.251 -3.639 1.00 0.00 O ATOM 0 H TYR A 28 4.337 0.948 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 28 2.868 -0.167 0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.269 -1.430 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.402 -2.094 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.521 -0.281 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.984 -0.552 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.569 0.792 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.140 0.401 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.004 1.374 -4.604 1.00 0.00 H new ATOM 456 N PHE A 29 4.910 -1.629 0.724 1.00 0.00 N ATOM 457 CA PHE A 29 6.127 -2.283 1.184 1.00 0.00 C ATOM 458 C PHE A 29 5.795 -3.704 1.587 1.00 0.00 C ATOM 459 O PHE A 29 4.862 -3.909 2.350 1.00 0.00 O ATOM 460 CB PHE A 29 6.714 -1.538 2.388 1.00 0.00 C ATOM 461 CG PHE A 29 8.032 -2.119 2.867 1.00 0.00 C ATOM 462 CD1 PHE A 29 8.061 -3.271 3.681 1.00 0.00 C ATOM 463 CD2 PHE A 29 9.243 -1.532 2.458 1.00 0.00 C ATOM 464 CE1 PHE A 29 9.291 -3.788 4.124 1.00 0.00 C ATOM 465 CE2 PHE A 29 10.468 -2.073 2.876 1.00 0.00 C ATOM 466 CZ PHE A 29 10.492 -3.186 3.724 1.00 0.00 C ATOM 0 H PHE A 29 4.120 -1.768 1.354 1.00 0.00 H new ATOM 0 HA PHE A 29 6.862 -2.279 0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.861 -0.491 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.995 -1.561 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.138 -3.756 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.230 -0.661 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.311 -4.651 4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.395 -1.630 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.436 -3.581 4.070 1.00 0.00 H new ATOM 476 N ASN A 30 6.542 -4.669 1.069 1.00 0.00 N ATOM 477 CA ASN A 30 6.386 -6.083 1.357 1.00 0.00 C ATOM 478 C ASN A 30 7.355 -6.484 2.470 1.00 0.00 C ATOM 479 O ASN A 30 8.566 -6.496 2.253 1.00 0.00 O ATOM 480 CB ASN A 30 6.648 -6.909 0.104 1.00 0.00 C ATOM 481 CG ASN A 30 6.239 -8.352 0.317 1.00 0.00 C ATOM 482 OD1 ASN A 30 6.560 -8.918 1.342 1.00 0.00 O ATOM 483 ND2 ASN A 30 5.559 -8.975 -0.621 1.00 0.00 N ATOM 0 H ASN A 30 7.300 -4.479 0.413 1.00 0.00 H new ATOM 0 HA ASN A 30 5.364 -6.273 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.095 -6.489 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.706 -6.860 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.292 -9.951 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.299 -8.482 -1.475 1.00 0.00 H new ATOM 490 N HIS A 31 6.859 -6.777 3.671 1.00 0.00 N ATOM 491 CA HIS A 31 7.692 -7.165 4.803 1.00 0.00 C ATOM 492 C HIS A 31 8.213 -8.606 4.718 1.00 0.00 C ATOM 493 O HIS A 31 9.110 -8.965 5.479 1.00 0.00 O ATOM 494 CB HIS A 31 6.947 -6.890 6.118 1.00 0.00 C ATOM 495 CG HIS A 31 5.853 -7.878 6.438 1.00 0.00 C ATOM 496 ND1 HIS A 31 6.045 -9.096 7.042 1.00 0.00 N ATOM 497 CD2 HIS A 31 4.511 -7.748 6.195 1.00 0.00 C ATOM 498 CE1 HIS A 31 4.858 -9.704 7.134 1.00 0.00 C ATOM 499 NE2 HIS A 31 3.890 -8.927 6.624 1.00 0.00 N ATOM 0 H HIS A 31 5.862 -6.751 3.885 1.00 0.00 H new ATOM 0 HA HIS A 31 8.589 -6.547 4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.668 -6.889 6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.514 -5.891 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.022 -6.892 5.753 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.700 -10.684 7.559 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.897 -9.151 6.561 1.00 0.00 H new ATOM 507 N ILE A 32 7.673 -9.441 3.829 1.00 0.00 N ATOM 508 CA ILE A 32 8.090 -10.835 3.651 1.00 0.00 C ATOM 509 C ILE A 32 9.412 -10.888 2.898 1.00 0.00 C ATOM 510 O ILE A 32 10.280 -11.691 3.239 1.00 0.00 O ATOM 511 CB ILE A 32 7.014 -11.646 2.873 1.00 0.00 C ATOM 512 CG1 ILE A 32 5.750 -11.776 3.741 1.00 0.00 C ATOM 513 CG2 ILE A 32 7.530 -13.001 2.360 1.00 0.00 C ATOM 514 CD1 ILE A 32 4.593 -12.537 3.077 1.00 0.00 C ATOM 0 H ILE A 32 6.919 -9.163 3.200 1.00 0.00 H new ATOM 0 HA ILE A 32 8.212 -11.281 4.638 1.00 0.00 H new ATOM 0 HB ILE A 32 6.759 -11.095 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.014 -12.281 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.405 -10.777 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.731 -13.516 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.371 -12.838 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.854 -13.610 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.745 -12.579 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.296 -12.023 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.915 -13.550 2.835 1.00 0.00 H new ATOM 526 N THR A 33 9.588 -10.031 1.888 1.00 0.00 N ATOM 527 CA THR A 33 10.799 -10.055 1.080 1.00 0.00 C ATOM 528 C THR A 33 11.532 -8.711 1.054 1.00 0.00 C ATOM 529 O THR A 33 12.538 -8.586 0.360 1.00 0.00 O ATOM 530 CB THR A 33 10.392 -10.686 -0.268 1.00 0.00 C ATOM 531 OG1 THR A 33 11.483 -11.125 -1.040 1.00 0.00 O ATOM 532 CG2 THR A 33 9.556 -9.754 -1.140 1.00 0.00 C ATOM 0 H THR A 33 8.910 -9.319 1.616 1.00 0.00 H new ATOM 0 HA THR A 33 11.587 -10.675 1.509 1.00 0.00 H new ATOM 0 HB THR A 33 9.794 -11.547 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.229 -10.497 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.303 -10.258 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.641 -9.486 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.126 -8.851 -1.358 1.00 0.00 H new ATOM 540 N ASN A 34 11.093 -7.741 1.870 1.00 0.00 N ATOM 541 CA ASN A 34 11.663 -6.389 1.968 1.00 0.00 C ATOM 542 C ASN A 34 11.496 -5.628 0.643 1.00 0.00 C ATOM 543 O ASN A 34 12.283 -4.740 0.302 1.00 0.00 O ATOM 544 CB ASN A 34 13.117 -6.461 2.454 1.00 0.00 C ATOM 545 CG ASN A 34 13.623 -5.156 3.059 1.00 0.00 C ATOM 546 OD1 ASN A 34 14.124 -4.257 2.390 1.00 0.00 O ATOM 547 ND2 ASN A 34 13.559 -5.044 4.371 1.00 0.00 N ATOM 0 H ASN A 34 10.304 -7.881 2.501 1.00 0.00 H new ATOM 0 HA ASN A 34 11.113 -5.815 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.204 -7.254 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.758 -6.736 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.926 -4.210 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.143 -5.791 4.927 1.00 0.00 H new ATOM 554 N ALA A 35 10.522 -6.050 -0.167 1.00 0.00 N ATOM 555 CA ALA A 35 10.229 -5.432 -1.442 1.00 0.00 C ATOM 556 C ALA A 35 9.346 -4.225 -1.166 1.00 0.00 C ATOM 557 O ALA A 35 8.892 -3.995 -0.049 1.00 0.00 O ATOM 558 CB ALA A 35 9.575 -6.443 -2.399 1.00 0.00 C ATOM 0 H ALA A 35 9.914 -6.839 0.055 1.00 0.00 H new ATOM 0 HA ALA A 35 11.140 -5.102 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.363 -5.958 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.253 -7.281 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.645 -6.808 -1.963 1.00 0.00 H new ATOM 564 N SER A 36 9.092 -3.432 -2.185 1.00 0.00 N ATOM 565 CA SER A 36 8.279 -2.253 -2.180 1.00 0.00 C ATOM 566 C SER A 36 7.981 -1.851 -3.605 1.00 0.00 C ATOM 567 O SER A 36 8.809 -2.085 -4.492 1.00 0.00 O ATOM 568 CB SER A 36 9.036 -1.180 -1.432 1.00 0.00 C ATOM 569 OG SER A 36 10.287 -0.792 -1.970 1.00 0.00 O ATOM 0 H SER A 36 9.484 -3.618 -3.108 1.00 0.00 H new ATOM 0 HA SER A 36 7.323 -2.421 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.402 -0.295 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.197 -1.526 -0.411 1.00 0.00 H new ATOM 0 HG SER A 36 10.683 -0.094 -1.407 1.00 0.00 H new ATOM 575 N GLN A 37 6.790 -1.312 -3.831 1.00 0.00 N ATOM 576 CA GLN A 37 6.364 -0.852 -5.125 1.00 0.00 C ATOM 577 C GLN A 37 5.318 0.238 -4.917 1.00 0.00 C ATOM 578 O GLN A 37 4.789 0.423 -3.824 1.00 0.00 O ATOM 579 CB GLN A 37 5.788 -1.997 -5.988 1.00 0.00 C ATOM 580 CG GLN A 37 6.858 -2.860 -6.673 1.00 0.00 C ATOM 581 CD GLN A 37 6.296 -3.611 -7.875 1.00 0.00 C ATOM 582 OE1 GLN A 37 5.134 -4.011 -7.901 1.00 0.00 O ATOM 583 NE2 GLN A 37 7.092 -3.825 -8.908 1.00 0.00 N ATOM 0 H GLN A 37 6.089 -1.185 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 37 7.226 -0.461 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.168 -2.636 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.136 -1.571 -6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.685 -2.227 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.263 -3.574 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.056 -3.493 -8.886 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.742 -4.322 -9.727 1.00 0.00 H new ATOM 592 N TRP A 38 4.993 0.951 -5.981 1.00 0.00 N ATOM 593 CA TRP A 38 4.024 2.036 -5.995 1.00 0.00 C ATOM 594 C TRP A 38 2.678 1.514 -6.500 1.00 0.00 C ATOM 595 O TRP A 38 1.627 1.936 -6.018 1.00 0.00 O ATOM 596 CB TRP A 38 4.605 3.160 -6.861 1.00 0.00 C ATOM 597 CG TRP A 38 6.022 3.505 -6.515 1.00 0.00 C ATOM 598 CD1 TRP A 38 7.118 2.894 -7.011 1.00 0.00 C ATOM 599 CD2 TRP A 38 6.517 4.463 -5.546 1.00 0.00 C ATOM 600 NE1 TRP A 38 8.247 3.354 -6.369 1.00 0.00 N ATOM 601 CE2 TRP A 38 7.935 4.331 -5.453 1.00 0.00 C ATOM 602 CE3 TRP A 38 5.899 5.422 -4.727 1.00 0.00 C ATOM 603 CZ2 TRP A 38 8.700 5.097 -4.567 1.00 0.00 C ATOM 604 CZ3 TRP A 38 6.661 6.230 -3.871 1.00 0.00 C ATOM 605 CH2 TRP A 38 8.054 6.052 -3.770 1.00 0.00 C ATOM 0 H TRP A 38 5.413 0.784 -6.896 1.00 0.00 H new ATOM 0 HA TRP A 38 3.838 2.435 -4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.556 2.864 -7.909 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.985 4.050 -6.752 1.00 0.00 H new ATOM 0 HD1 TRP A 38 7.111 2.153 -7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.192 3.014 -6.550 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.826 5.538 -4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.768 4.955 -4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.175 6.995 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.626 6.652 -3.077 1.00 0.00 H new ATOM 616 N GLU A 39 2.705 0.572 -7.443 1.00 0.00 N ATOM 617 CA GLU A 39 1.563 -0.080 -8.059 1.00 0.00 C ATOM 618 C GLU A 39 0.989 -1.139 -7.117 1.00 0.00 C ATOM 619 O GLU A 39 1.727 -1.743 -6.341 1.00 0.00 O ATOM 620 CB GLU A 39 2.042 -0.712 -9.368 1.00 0.00 C ATOM 621 CG GLU A 39 2.579 0.382 -10.305 1.00 0.00 C ATOM 622 CD GLU A 39 4.013 0.858 -10.058 1.00 0.00 C ATOM 623 OE1 GLU A 39 4.856 0.078 -9.558 1.00 0.00 O ATOM 624 OE2 GLU A 39 4.290 2.040 -10.374 1.00 0.00 O ATOM 0 H GLU A 39 3.588 0.225 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 39 0.770 0.639 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.822 -1.446 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.221 -1.245 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.515 0.014 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.917 1.245 -10.234 1.00 0.00 H new ATOM 631 N ARG A 40 -0.325 -1.374 -7.184 1.00 0.00 N ATOM 632 CA ARG A 40 -1.027 -2.337 -6.335 1.00 0.00 C ATOM 633 C ARG A 40 -0.496 -3.769 -6.491 1.00 0.00 C ATOM 634 O ARG A 40 -0.657 -4.358 -7.564 1.00 0.00 O ATOM 635 CB ARG A 40 -2.539 -2.275 -6.586 1.00 0.00 C ATOM 636 CG ARG A 40 -3.159 -1.097 -5.821 1.00 0.00 C ATOM 637 CD ARG A 40 -4.624 -0.852 -6.197 1.00 0.00 C ATOM 638 NE ARG A 40 -5.480 -2.008 -5.888 1.00 0.00 N ATOM 639 CZ ARG A 40 -6.004 -2.318 -4.699 1.00 0.00 C ATOM 640 NH1 ARG A 40 -5.858 -1.530 -3.637 1.00 0.00 N ATOM 641 NH2 ARG A 40 -6.690 -3.446 -4.574 1.00 0.00 N ATOM 0 H ARG A 40 -0.939 -0.892 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.831 -2.051 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.733 -2.167 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.005 -3.208 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.090 -1.288 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.581 -0.195 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.993 0.024 -5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.691 -0.627 -7.261 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.695 -2.637 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.333 -0.659 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.271 -1.797 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.811 -4.061 -5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.097 -3.698 -3.673 1.00 0.00 H new ATOM 655 N PRO A 41 0.111 -4.354 -5.444 1.00 0.00 N ATOM 656 CA PRO A 41 0.643 -5.710 -5.476 1.00 0.00 C ATOM 657 C PRO A 41 -0.476 -6.744 -5.339 1.00 0.00 C ATOM 658 O PRO A 41 -1.641 -6.384 -5.137 1.00 0.00 O ATOM 659 CB PRO A 41 1.566 -5.783 -4.266 1.00 0.00 C ATOM 660 CG PRO A 41 0.893 -4.863 -3.255 1.00 0.00 C ATOM 661 CD PRO A 41 0.346 -3.755 -4.139 1.00 0.00 C ATOM 0 HA PRO A 41 1.152 -5.925 -6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.653 -6.801 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.574 -5.446 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.102 -5.373 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.600 -4.483 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.577 -3.348 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.054 -2.930 -4.212 1.00 0.00 H new ATOM 669 N SER A 42 -0.121 -8.028 -5.410 1.00 0.00 N ATOM 670 CA SER A 42 -1.020 -9.163 -5.293 1.00 0.00 C ATOM 671 C SER A 42 -0.256 -10.363 -4.732 1.00 0.00 C ATOM 672 O SER A 42 0.406 -11.091 -5.472 1.00 0.00 O ATOM 673 CB SER A 42 -1.711 -9.464 -6.630 1.00 0.00 C ATOM 674 OG SER A 42 -2.559 -8.372 -6.973 1.00 0.00 O ATOM 0 H SER A 42 0.848 -8.311 -5.558 1.00 0.00 H new ATOM 0 HA SER A 42 -1.820 -8.924 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.967 -9.622 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.293 -10.383 -6.554 1.00 0.00 H new ATOM 0 HG SER A 42 -3.002 -8.558 -7.827 1.00 0.00 H new