USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 430 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.305 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00989) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -160:sc= -0.238 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -102:sc= -0.485 (180deg=-2.14!) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 0.439 (180deg=-0.176) USER MOD Single : A 58 MET CE :methyl 171:sc= -2.15 (180deg=-2.28) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.074 -6.064 7.907 1.00 0.00 N ATOM 83 CA GLY A 9 -10.309 -5.648 9.067 1.00 0.00 C ATOM 84 C GLY A 9 -8.959 -5.068 8.694 1.00 0.00 C ATOM 85 O GLY A 9 -8.536 -4.053 9.247 1.00 0.00 O ATOM 0 HA2 GLY A 9 -10.878 -4.905 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.164 -6.502 9.728 1.00 0.00 H new ATOM 89 N THR A 10 -8.278 -5.715 7.752 1.00 0.00 N ATOM 90 CA THR A 10 -6.967 -5.259 7.307 1.00 0.00 C ATOM 91 C THR A 10 -7.061 -3.901 6.620 1.00 0.00 C ATOM 92 O THR A 10 -6.382 -2.950 7.009 1.00 0.00 O ATOM 93 CB THR A 10 -6.321 -6.267 6.339 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.254 -7.560 6.951 1.00 0.00 O ATOM 95 CG2 THR A 10 -4.923 -5.817 5.942 1.00 0.00 C ATOM 0 H THR A 10 -8.613 -6.556 7.283 1.00 0.00 H new ATOM 0 HA THR A 10 -6.344 -5.171 8.197 1.00 0.00 H new ATOM 0 HB THR A 10 -6.937 -6.321 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.844 -8.196 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.487 -6.545 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.979 -4.846 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.300 -5.737 6.833 1.00 0.00 H new ATOM 103 N ILE A 11 -7.907 -3.818 5.599 1.00 0.00 N ATOM 104 CA ILE A 11 -8.090 -2.574 4.859 1.00 0.00 C ATOM 105 C ILE A 11 -8.266 -1.392 5.806 1.00 0.00 C ATOM 106 O ILE A 11 -7.518 -0.418 5.744 1.00 0.00 O ATOM 107 CB ILE A 11 -9.308 -2.652 3.920 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.264 -3.942 3.097 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.353 -1.437 3.007 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.525 -4.772 3.206 1.00 0.00 C ATOM 0 H ILE A 11 -8.476 -4.596 5.265 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.190 -2.426 4.262 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.214 -2.660 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.094 -3.690 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.414 -4.542 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.220 -1.508 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.427 -0.532 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.444 -1.399 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.423 -5.670 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.686 -5.055 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.376 -4.189 2.853 1.00 0.00 H new ATOM 122 N ASP A 12 -9.260 -1.487 6.683 1.00 0.00 N ATOM 123 CA ASP A 12 -9.533 -0.428 7.646 1.00 0.00 C ATOM 124 C ASP A 12 -8.235 0.141 8.212 1.00 0.00 C ATOM 125 O ASP A 12 -8.136 1.339 8.480 1.00 0.00 O ATOM 126 CB ASP A 12 -10.411 -0.955 8.782 1.00 0.00 C ATOM 127 CG ASP A 12 -10.863 0.145 9.722 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.006 0.938 10.163 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.075 0.212 10.018 1.00 0.00 O ATOM 0 H ASP A 12 -9.890 -2.287 6.746 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.064 0.371 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.285 -1.451 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.858 -1.707 9.346 1.00 0.00 H new ATOM 134 N GLN A 13 -7.243 -0.726 8.390 1.00 0.00 N ATOM 135 CA GLN A 13 -5.953 -0.310 8.927 1.00 0.00 C ATOM 136 C GLN A 13 -5.038 0.193 7.814 1.00 0.00 C ATOM 137 O GLN A 13 -4.485 1.290 7.899 1.00 0.00 O ATOM 138 CB GLN A 13 -5.286 -1.471 9.666 1.00 0.00 C ATOM 139 CG GLN A 13 -5.870 -1.729 11.046 1.00 0.00 C ATOM 140 CD GLN A 13 -5.053 -2.722 11.849 1.00 0.00 C ATOM 141 OE1 GLN A 13 -5.113 -3.928 11.612 1.00 0.00 O ATOM 142 NE2 GLN A 13 -4.283 -2.218 12.806 1.00 0.00 N ATOM 0 H GLN A 13 -7.308 -1.720 8.170 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.125 0.506 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.381 -2.376 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.220 -1.264 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.930 -0.788 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.889 -2.103 10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.264 -1.211 12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.710 -2.838 13.379 1.00 0.00 H new ATOM 151 N LEU A 14 -4.883 -0.617 6.772 1.00 0.00 N ATOM 152 CA LEU A 14 -4.034 -0.255 5.642 1.00 0.00 C ATOM 153 C LEU A 14 -4.309 1.176 5.191 1.00 0.00 C ATOM 154 O LEU A 14 -3.439 2.043 5.275 1.00 0.00 O ATOM 155 CB LEU A 14 -4.262 -1.221 4.478 1.00 0.00 C ATOM 156 CG LEU A 14 -3.605 -0.840 3.151 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.090 -0.831 3.289 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.036 -1.796 2.049 1.00 0.00 C ATOM 0 H LEU A 14 -5.334 -1.528 6.686 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.995 -0.322 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.897 -2.205 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.336 -1.315 4.315 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.931 0.165 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.639 -0.558 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.798 -0.106 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.745 -1.823 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.559 -1.510 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.740 -2.811 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.119 -1.753 1.933 1.00 0.00 H new ATOM 170 N VAL A 15 -5.527 1.418 4.715 1.00 0.00 N ATOM 171 CA VAL A 15 -5.918 2.745 4.256 1.00 0.00 C ATOM 172 C VAL A 15 -5.341 3.831 5.155 1.00 0.00 C ATOM 173 O VAL A 15 -4.587 4.693 4.702 1.00 0.00 O ATOM 174 CB VAL A 15 -7.450 2.893 4.208 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.843 4.361 4.132 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.024 2.118 3.031 1.00 0.00 C ATOM 0 H VAL A 15 -6.259 0.712 4.638 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.517 2.862 3.249 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.866 2.477 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.929 4.446 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.465 4.885 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.417 4.806 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.108 2.234 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.602 2.502 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.774 1.062 3.134 1.00 0.00 H new ATOM 186 N LYS A 16 -5.699 3.785 6.434 1.00 0.00 N ATOM 187 CA LYS A 16 -5.216 4.764 7.401 1.00 0.00 C ATOM 188 C LYS A 16 -3.751 5.103 7.145 1.00 0.00 C ATOM 189 O LYS A 16 -3.348 6.263 7.234 1.00 0.00 O ATOM 190 CB LYS A 16 -5.386 4.231 8.825 1.00 0.00 C ATOM 191 CG LYS A 16 -4.151 4.407 9.692 1.00 0.00 C ATOM 192 CD LYS A 16 -4.301 3.694 11.025 1.00 0.00 C ATOM 193 CE LYS A 16 -2.983 3.650 11.784 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.186 3.383 13.234 1.00 0.00 N ATOM 0 H LYS A 16 -6.323 3.079 6.825 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.807 5.673 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.226 4.740 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.640 3.172 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.278 4.019 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.974 5.469 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.053 4.202 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.660 2.679 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.345 2.876 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.460 4.598 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.264 3.361 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.774 4.135 13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.662 2.466 13.355 1.00 0.00 H new ATOM 208 N ARG A 17 -2.959 4.084 6.827 1.00 0.00 N ATOM 209 CA ARG A 17 -1.539 4.276 6.558 1.00 0.00 C ATOM 210 C ARG A 17 -1.331 5.194 5.358 1.00 0.00 C ATOM 211 O ARG A 17 -0.858 6.322 5.500 1.00 0.00 O ATOM 212 CB ARG A 17 -0.859 2.929 6.306 1.00 0.00 C ATOM 213 CG ARG A 17 -1.228 1.861 7.323 1.00 0.00 C ATOM 214 CD ARG A 17 -0.406 0.596 7.126 1.00 0.00 C ATOM 215 NE ARG A 17 -0.375 -0.229 8.331 1.00 0.00 N ATOM 216 CZ ARG A 17 0.072 -1.479 8.353 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.523 -2.046 7.243 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.069 -2.167 9.488 1.00 0.00 N ATOM 0 H ARG A 17 -3.276 3.118 6.749 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.090 4.744 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.126 2.578 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.222 3.070 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.069 2.246 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.288 1.624 7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.822 0.018 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.612 0.865 6.845 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.715 0.177 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.527 -1.522 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.866 -3.007 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.277 -1.736 10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.413 -3.127 9.503 1.00 0.00 H new ATOM 232 N VAL A 18 -1.689 4.704 4.175 1.00 0.00 N ATOM 233 CA VAL A 18 -1.543 5.480 2.950 1.00 0.00 C ATOM 234 C VAL A 18 -2.027 6.912 3.145 1.00 0.00 C ATOM 235 O VAL A 18 -1.636 7.818 2.407 1.00 0.00 O ATOM 236 CB VAL A 18 -2.322 4.841 1.784 1.00 0.00 C ATOM 237 CG1 VAL A 18 -2.179 3.327 1.812 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.788 5.248 1.838 1.00 0.00 C ATOM 0 H VAL A 18 -2.082 3.773 4.040 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.481 5.489 2.706 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.901 5.204 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.736 2.894 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.126 3.059 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.572 2.942 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.324 4.788 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.224 4.915 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.867 6.333 1.765 1.00 0.00 H new ATOM 248 N ILE A 19 -2.879 7.112 4.145 1.00 0.00 N ATOM 249 CA ILE A 19 -3.415 8.435 4.440 1.00 0.00 C ATOM 250 C ILE A 19 -2.429 9.257 5.263 1.00 0.00 C ATOM 251 O ILE A 19 -2.036 10.354 4.865 1.00 0.00 O ATOM 252 CB ILE A 19 -4.751 8.345 5.200 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.804 7.639 4.343 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.228 9.733 5.599 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.543 8.570 3.407 1.00 0.00 C ATOM 0 H ILE A 19 -3.213 6.374 4.765 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.584 8.927 3.482 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.597 7.761 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.320 6.857 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.524 7.148 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.174 9.653 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.484 10.202 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.369 10.340 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.273 8.002 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.056 9.337 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.833 9.042 2.728 1.00 0.00 H new ATOM 267 N GLU A 20 -2.031 8.718 6.411 1.00 0.00 N ATOM 268 CA GLU A 20 -1.090 9.402 7.290 1.00 0.00 C ATOM 269 C GLU A 20 0.335 9.286 6.755 1.00 0.00 C ATOM 270 O GLU A 20 1.258 9.910 7.277 1.00 0.00 O ATOM 271 CB GLU A 20 -1.165 8.823 8.704 1.00 0.00 C ATOM 272 CG GLU A 20 -2.557 8.363 9.100 1.00 0.00 C ATOM 273 CD GLU A 20 -3.048 9.018 10.376 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.647 10.172 10.641 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.831 8.380 11.109 1.00 0.00 O ATOM 0 H GLU A 20 -2.345 7.810 6.754 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.363 10.457 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.478 7.980 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.825 9.576 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.253 8.586 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.555 7.281 9.230 1.00 0.00 H new ATOM 282 N GLY A 21 0.506 8.481 5.712 1.00 0.00 N ATOM 283 CA GLY A 21 1.820 8.296 5.124 1.00 0.00 C ATOM 284 C GLY A 21 2.725 7.437 5.986 1.00 0.00 C ATOM 285 O GLY A 21 3.846 7.114 5.592 1.00 0.00 O ATOM 0 H GLY A 21 -0.242 7.953 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.714 7.835 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.286 9.269 4.970 1.00 0.00 H new ATOM 289 N SER A 22 2.238 7.067 7.167 1.00 0.00 N ATOM 290 CA SER A 22 3.013 6.244 8.088 1.00 0.00 C ATOM 291 C SER A 22 3.777 5.159 7.337 1.00 0.00 C ATOM 292 O SER A 22 4.809 4.675 7.803 1.00 0.00 O ATOM 293 CB SER A 22 2.093 5.608 9.132 1.00 0.00 C ATOM 294 OG SER A 22 2.795 4.661 9.921 1.00 0.00 O ATOM 0 H SER A 22 1.312 7.324 7.508 1.00 0.00 H new ATOM 0 HA SER A 22 3.734 6.887 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.676 6.383 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.254 5.121 8.634 1.00 0.00 H new ATOM 0 HG SER A 22 2.186 4.270 10.582 1.00 0.00 H new ATOM 300 N LEU A 23 3.263 4.780 6.172 1.00 0.00 N ATOM 301 CA LEU A 23 3.896 3.752 5.354 1.00 0.00 C ATOM 302 C LEU A 23 4.594 4.369 4.147 1.00 0.00 C ATOM 303 O LEU A 23 4.078 5.298 3.526 1.00 0.00 O ATOM 304 CB LEU A 23 2.855 2.731 4.890 1.00 0.00 C ATOM 305 CG LEU A 23 2.282 2.947 3.488 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.668 1.660 2.958 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.252 4.066 3.501 1.00 0.00 C ATOM 0 H LEU A 23 2.409 5.170 5.773 1.00 0.00 H new ATOM 0 HA LEU A 23 4.645 3.247 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.306 1.739 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.030 2.733 5.602 1.00 0.00 H new ATOM 0 HG LEU A 23 3.096 3.237 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.266 1.833 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.432 0.884 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.865 1.339 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.855 4.206 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.440 3.805 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.723 4.990 3.837 1.00 0.00 H new ATOM 319 N SER A 24 5.771 3.845 3.818 1.00 0.00 N ATOM 320 CA SER A 24 6.541 4.345 2.686 1.00 0.00 C ATOM 321 C SER A 24 5.712 4.306 1.405 1.00 0.00 C ATOM 322 O SER A 24 4.693 3.622 1.316 1.00 0.00 O ATOM 323 CB SER A 24 7.817 3.521 2.506 1.00 0.00 C ATOM 324 OG SER A 24 8.970 4.306 2.755 1.00 0.00 O ATOM 0 H SER A 24 6.212 3.074 4.320 1.00 0.00 H new ATOM 0 HA SER A 24 6.812 5.381 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.801 2.667 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.856 3.123 1.492 1.00 0.00 H new ATOM 0 HG SER A 24 9.772 3.756 2.635 1.00 0.00 H new ATOM 330 N PRO A 25 6.159 5.059 0.389 1.00 0.00 N ATOM 331 CA PRO A 25 5.475 5.128 -0.906 1.00 0.00 C ATOM 332 C PRO A 25 5.588 3.826 -1.692 1.00 0.00 C ATOM 333 O PRO A 25 4.675 3.450 -2.426 1.00 0.00 O ATOM 334 CB PRO A 25 6.208 6.257 -1.634 1.00 0.00 C ATOM 335 CG PRO A 25 7.561 6.294 -1.013 1.00 0.00 C ATOM 336 CD PRO A 25 7.367 5.900 0.425 1.00 0.00 C ATOM 0 HA PRO A 25 4.405 5.299 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.269 6.063 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.690 7.208 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.241 5.607 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.998 7.289 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.227 5.352 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.231 6.771 1.065 1.00 0.00 H new ATOM 344 N LYS A 26 6.715 3.141 -1.532 1.00 0.00 N ATOM 345 CA LYS A 26 6.949 1.879 -2.224 1.00 0.00 C ATOM 346 C LYS A 26 6.122 0.757 -1.604 1.00 0.00 C ATOM 347 O LYS A 26 5.576 -0.088 -2.312 1.00 0.00 O ATOM 348 CB LYS A 26 8.435 1.517 -2.181 1.00 0.00 C ATOM 349 CG LYS A 26 8.814 0.389 -3.126 1.00 0.00 C ATOM 350 CD LYS A 26 8.880 0.868 -4.567 1.00 0.00 C ATOM 351 CE LYS A 26 7.737 0.302 -5.395 1.00 0.00 C ATOM 352 NZ LYS A 26 7.486 1.111 -6.620 1.00 0.00 N ATOM 0 H LYS A 26 7.481 3.439 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 26 6.642 2.001 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.023 2.401 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.702 1.232 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.780 -0.023 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.085 -0.417 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.844 1.957 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.832 0.571 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.968 -0.725 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.831 0.269 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.546 0.882 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.526 2.123 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.211 0.894 -7.334 1.00 0.00 H new ATOM 366 N GLU A 27 6.035 0.756 -0.277 1.00 0.00 N ATOM 367 CA GLU A 27 5.275 -0.262 0.437 1.00 0.00 C ATOM 368 C GLU A 27 3.895 -0.451 -0.190 1.00 0.00 C ATOM 369 O GLU A 27 3.446 -1.579 -0.396 1.00 0.00 O ATOM 370 CB GLU A 27 5.128 0.119 1.912 1.00 0.00 C ATOM 371 CG GLU A 27 6.055 -0.654 2.835 1.00 0.00 C ATOM 372 CD GLU A 27 5.453 -1.964 3.303 1.00 0.00 C ATOM 373 OE1 GLU A 27 5.423 -2.923 2.505 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.012 -2.030 4.470 1.00 0.00 O ATOM 0 H GLU A 27 6.481 1.449 0.324 1.00 0.00 H new ATOM 0 HA GLU A 27 5.821 -1.203 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.323 1.185 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.097 -0.050 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.993 -0.854 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.295 -0.038 3.702 1.00 0.00 H new ATOM 381 N ARG A 28 3.231 0.660 -0.489 1.00 0.00 N ATOM 382 CA ARG A 28 1.903 0.618 -1.090 1.00 0.00 C ATOM 383 C ARG A 28 1.898 -0.265 -2.334 1.00 0.00 C ATOM 384 O ARG A 28 1.136 -1.229 -2.422 1.00 0.00 O ATOM 385 CB ARG A 28 1.438 2.030 -1.451 1.00 0.00 C ATOM 386 CG ARG A 28 1.075 2.878 -0.244 1.00 0.00 C ATOM 387 CD ARG A 28 0.451 4.201 -0.661 1.00 0.00 C ATOM 388 NE ARG A 28 -0.683 4.011 -1.562 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.231 4.993 -2.271 1.00 0.00 C ATOM 390 NH1 ARG A 28 -0.751 6.226 -2.182 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.260 4.742 -3.068 1.00 0.00 N ATOM 0 H ARG A 28 3.590 1.600 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 28 1.214 0.192 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.227 2.531 -2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.572 1.961 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.379 2.330 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.968 3.067 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.122 4.743 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.204 4.819 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.076 3.074 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.040 6.422 -1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.173 6.978 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.632 3.795 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.680 5.496 -3.612 1.00 0.00 H new ATOM 405 N THR A 29 2.753 0.070 -3.296 1.00 0.00 N ATOM 406 CA THR A 29 2.845 -0.690 -4.535 1.00 0.00 C ATOM 407 C THR A 29 3.102 -2.167 -4.256 1.00 0.00 C ATOM 408 O THR A 29 2.594 -3.040 -4.962 1.00 0.00 O ATOM 409 CB THR A 29 3.965 -0.149 -5.444 1.00 0.00 C ATOM 410 OG1 THR A 29 3.537 1.062 -6.080 1.00 0.00 O ATOM 411 CG2 THR A 29 4.348 -1.174 -6.500 1.00 0.00 C ATOM 0 H THR A 29 3.392 0.863 -3.240 1.00 0.00 H new ATOM 0 HA THR A 29 1.888 -0.580 -5.045 1.00 0.00 H new ATOM 0 HB THR A 29 4.839 0.055 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.255 1.401 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.140 -0.769 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.700 -2.084 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.478 -1.405 -7.115 1.00 0.00 H new ATOM 419 N LEU A 30 3.893 -2.441 -3.225 1.00 0.00 N ATOM 420 CA LEU A 30 4.217 -3.814 -2.851 1.00 0.00 C ATOM 421 C LEU A 30 2.977 -4.550 -2.357 1.00 0.00 C ATOM 422 O LEU A 30 2.844 -5.760 -2.544 1.00 0.00 O ATOM 423 CB LEU A 30 5.298 -3.827 -1.770 1.00 0.00 C ATOM 424 CG LEU A 30 6.608 -3.121 -2.121 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.490 -2.988 -0.889 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.340 -3.872 -3.224 1.00 0.00 C ATOM 0 H LEU A 30 4.322 -1.731 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 30 4.592 -4.327 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.890 -3.366 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.523 -4.864 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 30 6.373 -2.121 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.418 -2.483 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.968 -2.407 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.717 -3.979 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.270 -3.355 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.563 -4.885 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.712 -3.915 -4.114 1.00 0.00 H new ATOM 438 N LEU A 31 2.069 -3.813 -1.725 1.00 0.00 N ATOM 439 CA LEU A 31 0.838 -4.397 -1.205 1.00 0.00 C ATOM 440 C LEU A 31 0.157 -5.262 -2.260 1.00 0.00 C ATOM 441 O LEU A 31 -0.356 -6.340 -1.958 1.00 0.00 O ATOM 442 CB LEU A 31 -0.116 -3.293 -0.743 1.00 0.00 C ATOM 443 CG LEU A 31 0.385 -2.409 0.400 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.546 -1.223 0.604 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.512 -3.216 1.683 1.00 0.00 C ATOM 0 H LEU A 31 2.163 -2.811 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 31 1.095 -5.029 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.342 -2.655 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.053 -3.756 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 31 1.372 -2.030 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.174 -0.605 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.586 -0.630 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.546 -1.583 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.870 -2.570 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.461 -3.625 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.219 -4.032 1.531 1.00 0.00 H new ATOM 457 N LYS A 32 0.159 -4.787 -3.500 1.00 0.00 N ATOM 458 CA LYS A 32 -0.455 -5.518 -4.603 1.00 0.00 C ATOM 459 C LYS A 32 0.271 -6.837 -4.851 1.00 0.00 C ATOM 460 O LYS A 32 -0.342 -7.828 -5.246 1.00 0.00 O ATOM 461 CB LYS A 32 -0.441 -4.669 -5.876 1.00 0.00 C ATOM 462 CG LYS A 32 -0.776 -3.207 -5.635 1.00 0.00 C ATOM 463 CD LYS A 32 -1.954 -2.757 -6.484 1.00 0.00 C ATOM 464 CE LYS A 32 -1.504 -2.289 -7.859 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.907 -0.880 -8.124 1.00 0.00 N ATOM 0 H LYS A 32 0.580 -3.897 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.488 -5.736 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.545 -4.736 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.155 -5.084 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.007 -3.055 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.094 -2.591 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.661 -3.579 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.481 -1.948 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.420 -2.378 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.932 -2.939 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.582 -0.598 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.943 -0.800 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.478 -0.256 -7.411 1.00 0.00 H new ATOM 479 N GLU A 33 1.580 -6.841 -4.615 1.00 0.00 N ATOM 480 CA GLU A 33 2.387 -8.038 -4.814 1.00 0.00 C ATOM 481 C GLU A 33 2.068 -9.091 -3.756 1.00 0.00 C ATOM 482 O GLU A 33 2.485 -10.244 -3.866 1.00 0.00 O ATOM 483 CB GLU A 33 3.876 -7.690 -4.769 1.00 0.00 C ATOM 484 CG GLU A 33 4.256 -6.525 -5.667 1.00 0.00 C ATOM 485 CD GLU A 33 5.746 -6.458 -5.938 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.422 -7.498 -5.788 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.237 -5.368 -6.299 1.00 0.00 O ATOM 0 H GLU A 33 2.103 -6.029 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 33 2.147 -8.448 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.154 -7.452 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.454 -8.567 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.722 -6.612 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.933 -5.593 -5.203 1.00 0.00 H new ATOM 494 N ASP A 34 1.326 -8.685 -2.731 1.00 0.00 N ATOM 495 CA ASP A 34 0.950 -9.592 -1.653 1.00 0.00 C ATOM 496 C ASP A 34 -0.441 -10.173 -1.892 1.00 0.00 C ATOM 497 O ASP A 34 -1.320 -9.527 -2.462 1.00 0.00 O ATOM 498 CB ASP A 34 0.988 -8.863 -0.309 1.00 0.00 C ATOM 499 CG ASP A 34 1.739 -9.646 0.752 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.826 -10.176 0.440 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.239 -9.728 1.893 1.00 0.00 O ATOM 0 H ASP A 34 0.973 -7.734 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 34 1.668 -10.412 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.460 -7.889 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.031 -8.680 0.031 1.00 0.00 H new ATOM 506 N PRO A 35 -0.645 -11.421 -1.446 1.00 0.00 N ATOM 507 CA PRO A 35 -1.926 -12.116 -1.600 1.00 0.00 C ATOM 508 C PRO A 35 -3.020 -11.518 -0.721 1.00 0.00 C ATOM 509 O PRO A 35 -4.193 -11.510 -1.093 1.00 0.00 O ATOM 510 CB PRO A 35 -1.609 -13.548 -1.160 1.00 0.00 C ATOM 511 CG PRO A 35 -0.445 -13.411 -0.239 1.00 0.00 C ATOM 512 CD PRO A 35 0.359 -12.250 -0.758 1.00 0.00 C ATOM 0 HA PRO A 35 -2.309 -12.044 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.461 -14.005 -0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.366 -14.180 -2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.776 -13.231 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.151 -14.323 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.845 -11.704 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.145 -12.578 -1.439 1.00 0.00 H new ATOM 520 N ALA A 36 -2.628 -11.021 0.447 1.00 0.00 N ATOM 521 CA ALA A 36 -3.574 -10.419 1.378 1.00 0.00 C ATOM 522 C ALA A 36 -4.334 -9.271 0.722 1.00 0.00 C ATOM 523 O ALA A 36 -5.470 -8.975 1.092 1.00 0.00 O ATOM 524 CB ALA A 36 -2.851 -9.932 2.625 1.00 0.00 C ATOM 0 H ALA A 36 -1.661 -11.023 0.771 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.298 -11.182 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.570 -9.485 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.359 -10.774 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.105 -9.188 2.346 1.00 0.00 H new ATOM 530 N TYR A 37 -3.700 -8.627 -0.251 1.00 0.00 N ATOM 531 CA TYR A 37 -4.315 -7.509 -0.957 1.00 0.00 C ATOM 532 C TYR A 37 -4.604 -7.874 -2.410 1.00 0.00 C ATOM 533 O TYR A 37 -4.222 -7.150 -3.330 1.00 0.00 O ATOM 534 CB TYR A 37 -3.407 -6.280 -0.898 1.00 0.00 C ATOM 535 CG TYR A 37 -2.849 -6.005 0.479 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.609 -5.350 1.441 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.560 -6.398 0.820 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.103 -5.097 2.701 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.046 -6.150 2.077 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.820 -5.498 3.015 1.00 0.00 C ATOM 541 OH TYR A 37 -1.312 -5.248 4.269 1.00 0.00 O ATOM 0 H TYR A 37 -2.759 -8.860 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.260 -7.278 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.580 -6.416 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.968 -5.408 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.613 -5.033 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.950 -6.907 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.708 -4.588 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.043 -6.465 2.325 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.397 -5.595 4.327 1.00 0.00 H new ATOM 551 N TRP A 38 -5.279 -9.000 -2.607 1.00 0.00 N ATOM 552 CA TRP A 38 -5.620 -9.462 -3.948 1.00 0.00 C ATOM 553 C TRP A 38 -6.773 -8.650 -4.527 1.00 0.00 C ATOM 554 O TRP A 38 -6.788 -8.336 -5.718 1.00 0.00 O ATOM 555 CB TRP A 38 -5.988 -10.946 -3.921 1.00 0.00 C ATOM 556 CG TRP A 38 -7.204 -11.240 -3.094 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.232 -11.798 -1.848 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.567 -10.995 -3.457 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.530 -11.914 -1.414 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.368 -11.427 -2.382 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.188 -10.449 -4.583 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.757 -11.331 -2.403 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.566 -10.354 -4.602 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.339 -10.793 -3.519 1.00 0.00 C ATOM 0 H TRP A 38 -5.601 -9.610 -1.856 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.747 -9.323 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.159 -11.290 -4.941 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.145 -11.515 -3.530 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.362 -12.103 -1.286 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.823 -12.300 -0.516 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.602 -10.107 -5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.354 -11.669 -1.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.056 -9.934 -5.468 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.414 -10.705 -3.566 1.00 0.00 H new ATOM 575 N PHE A 39 -7.737 -8.310 -3.677 1.00 0.00 N ATOM 576 CA PHE A 39 -8.895 -7.535 -4.106 1.00 0.00 C ATOM 577 C PHE A 39 -8.462 -6.231 -4.770 1.00 0.00 C ATOM 578 O PHE A 39 -9.180 -5.675 -5.602 1.00 0.00 O ATOM 579 CB PHE A 39 -9.804 -7.234 -2.912 1.00 0.00 C ATOM 580 CG PHE A 39 -9.105 -6.519 -1.791 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.763 -5.182 -1.912 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.790 -7.184 -0.617 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.119 -4.520 -0.882 1.00 0.00 C ATOM 584 CE2 PHE A 39 -8.147 -6.528 0.415 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.811 -5.195 0.282 1.00 0.00 C ATOM 0 H PHE A 39 -7.739 -8.559 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.447 -8.128 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.645 -6.629 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.216 -8.170 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.002 -4.650 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.050 -8.227 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.858 -3.477 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.907 -7.057 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.308 -4.681 1.088 1.00 0.00 H new ATOM 595 N LEU A 40 -7.281 -5.748 -4.396 1.00 0.00 N ATOM 596 CA LEU A 40 -6.750 -4.510 -4.954 1.00 0.00 C ATOM 597 C LEU A 40 -7.116 -4.375 -6.429 1.00 0.00 C ATOM 598 O LEU A 40 -7.712 -3.382 -6.843 1.00 0.00 O ATOM 599 CB LEU A 40 -5.231 -4.462 -4.787 1.00 0.00 C ATOM 600 CG LEU A 40 -4.719 -3.927 -3.449 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.202 -4.027 -3.379 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.170 -2.488 -3.243 1.00 0.00 C ATOM 0 H LEU A 40 -6.674 -6.195 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.195 -3.676 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.838 -5.469 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.817 -3.845 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.140 -4.537 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.856 -3.642 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.901 -5.070 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.761 -3.441 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.797 -2.123 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.778 -1.865 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.259 -2.444 -3.248 1.00 0.00 H new ATOM 614 N SER A 41 -6.755 -5.385 -7.216 1.00 0.00 N ATOM 615 CA SER A 41 -7.043 -5.379 -8.645 1.00 0.00 C ATOM 616 C SER A 41 -8.545 -5.467 -8.897 1.00 0.00 C ATOM 617 O SER A 41 -9.074 -4.819 -9.801 1.00 0.00 O ATOM 618 CB SER A 41 -6.331 -6.544 -9.335 1.00 0.00 C ATOM 619 OG SER A 41 -5.381 -6.075 -10.276 1.00 0.00 O ATOM 0 H SER A 41 -6.263 -6.216 -6.888 1.00 0.00 H new ATOM 0 HA SER A 41 -6.676 -4.440 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.833 -7.164 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.063 -7.176 -9.837 1.00 0.00 H new ATOM 0 HG SER A 41 -4.938 -6.838 -10.702 1.00 0.00 H new ATOM 625 N ASP A 42 -9.229 -6.273 -8.091 1.00 0.00 N ATOM 626 CA ASP A 42 -10.670 -6.446 -8.223 1.00 0.00 C ATOM 627 C ASP A 42 -11.410 -5.177 -7.811 1.00 0.00 C ATOM 628 O ASP A 42 -10.911 -4.389 -7.008 1.00 0.00 O ATOM 629 CB ASP A 42 -11.144 -7.626 -7.374 1.00 0.00 C ATOM 630 CG ASP A 42 -12.336 -8.337 -7.985 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.175 -7.656 -8.610 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.429 -9.574 -7.836 1.00 0.00 O ATOM 0 H ASP A 42 -8.807 -6.817 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.892 -6.650 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.325 -8.335 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.408 -7.270 -6.378 1.00 0.00 H new ATOM 637 N GLU A 43 -12.601 -4.985 -8.369 1.00 0.00 N ATOM 638 CA GLU A 43 -13.408 -3.811 -8.060 1.00 0.00 C ATOM 639 C GLU A 43 -14.813 -4.215 -7.622 1.00 0.00 C ATOM 640 O GLU A 43 -15.413 -3.577 -6.759 1.00 0.00 O ATOM 641 CB GLU A 43 -13.489 -2.885 -9.275 1.00 0.00 C ATOM 642 CG GLU A 43 -12.284 -1.970 -9.425 1.00 0.00 C ATOM 643 CD GLU A 43 -12.619 -0.674 -10.135 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.525 0.044 -9.661 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.979 -0.378 -11.165 1.00 0.00 O ATOM 0 H GLU A 43 -13.028 -5.627 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.928 -3.280 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.590 -3.490 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.390 -2.276 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.879 -1.745 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.503 -2.492 -9.979 1.00 0.00 H new ATOM 652 N ASN A 44 -15.330 -5.280 -8.225 1.00 0.00 N ATOM 653 CA ASN A 44 -16.664 -5.771 -7.899 1.00 0.00 C ATOM 654 C ASN A 44 -16.634 -6.640 -6.645 1.00 0.00 C ATOM 655 O ASN A 44 -17.276 -7.688 -6.588 1.00 0.00 O ATOM 656 CB ASN A 44 -17.239 -6.568 -9.072 1.00 0.00 C ATOM 657 CG ASN A 44 -18.612 -6.076 -9.488 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.758 -4.964 -9.995 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.627 -6.906 -9.276 1.00 0.00 N ATOM 0 H ASN A 44 -14.846 -5.820 -8.942 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.303 -4.909 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.559 -6.501 -9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.301 -7.621 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.574 -6.631 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.460 -7.819 -8.853 1.00 0.00 H new ATOM 666 N SER A 45 -15.884 -6.195 -5.642 1.00 0.00 N ATOM 667 CA SER A 45 -15.766 -6.934 -4.390 1.00 0.00 C ATOM 668 C SER A 45 -16.047 -6.027 -3.196 1.00 0.00 C ATOM 669 O SER A 45 -16.307 -4.833 -3.355 1.00 0.00 O ATOM 670 CB SER A 45 -14.369 -7.545 -4.263 1.00 0.00 C ATOM 671 OG SER A 45 -13.380 -6.537 -4.147 1.00 0.00 O ATOM 0 H SER A 45 -15.349 -5.327 -5.672 1.00 0.00 H new ATOM 0 HA SER A 45 -16.505 -7.735 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.332 -8.197 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.160 -8.166 -5.134 1.00 0.00 H new ATOM 0 HG SER A 45 -12.505 -6.909 -4.383 1.00 0.00 H new ATOM 677 N LEU A 46 -15.995 -6.601 -2.000 1.00 0.00 N ATOM 678 CA LEU A 46 -16.243 -5.847 -0.777 1.00 0.00 C ATOM 679 C LEU A 46 -14.944 -5.283 -0.210 1.00 0.00 C ATOM 680 O LEU A 46 -14.842 -4.089 0.066 1.00 0.00 O ATOM 681 CB LEU A 46 -16.924 -6.736 0.266 1.00 0.00 C ATOM 682 CG LEU A 46 -16.628 -6.403 1.729 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.294 -6.999 2.152 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.633 -4.897 1.944 1.00 0.00 C ATOM 0 H LEU A 46 -15.783 -7.588 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.902 -5.014 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.002 -6.681 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.628 -7.769 0.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.411 -6.841 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.100 -6.752 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.326 -8.082 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.499 -6.590 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.421 -4.678 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.871 -4.437 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.611 -4.495 1.681 1.00 0.00 H new ATOM 696 N GLU A 47 -13.952 -6.152 -0.043 1.00 0.00 N ATOM 697 CA GLU A 47 -12.657 -5.740 0.488 1.00 0.00 C ATOM 698 C GLU A 47 -12.111 -4.540 -0.280 1.00 0.00 C ATOM 699 O GLU A 47 -11.415 -3.694 0.283 1.00 0.00 O ATOM 700 CB GLU A 47 -11.661 -6.899 0.422 1.00 0.00 C ATOM 701 CG GLU A 47 -12.005 -8.052 1.350 1.00 0.00 C ATOM 702 CD GLU A 47 -10.788 -8.607 2.066 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.061 -7.814 2.700 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.565 -9.833 1.993 1.00 0.00 O ATOM 0 H GLU A 47 -14.020 -7.145 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.796 -5.450 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.615 -7.269 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.667 -6.527 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.734 -7.715 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.478 -8.848 0.775 1.00 0.00 H new ATOM 711 N TYR A 48 -12.431 -4.473 -1.567 1.00 0.00 N ATOM 712 CA TYR A 48 -11.970 -3.380 -2.414 1.00 0.00 C ATOM 713 C TYR A 48 -12.856 -2.149 -2.244 1.00 0.00 C ATOM 714 O TYR A 48 -12.422 -1.020 -2.471 1.00 0.00 O ATOM 715 CB TYR A 48 -11.956 -3.813 -3.880 1.00 0.00 C ATOM 716 CG TYR A 48 -11.547 -2.712 -4.833 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.477 -1.798 -5.311 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.229 -2.587 -5.255 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.108 -0.791 -6.181 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.850 -1.584 -6.125 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.793 -0.688 -6.586 1.00 0.00 C ATOM 722 OH TYR A 48 -10.420 0.314 -7.452 1.00 0.00 O ATOM 0 H TYR A 48 -13.008 -5.163 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.956 -3.121 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.272 -4.654 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.949 -4.169 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.507 -1.876 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.488 -3.286 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.844 -0.088 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.821 -1.501 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.460 0.247 -7.636 1.00 0.00 H new ATOM 732 N LYS A 49 -14.102 -2.376 -1.841 1.00 0.00 N ATOM 733 CA LYS A 49 -15.051 -1.288 -1.638 1.00 0.00 C ATOM 734 C LYS A 49 -14.597 -0.374 -0.504 1.00 0.00 C ATOM 735 O LYS A 49 -15.007 0.783 -0.424 1.00 0.00 O ATOM 736 CB LYS A 49 -16.442 -1.848 -1.330 1.00 0.00 C ATOM 737 CG LYS A 49 -17.449 -1.617 -2.444 1.00 0.00 C ATOM 738 CD LYS A 49 -18.365 -2.816 -2.623 1.00 0.00 C ATOM 739 CE LYS A 49 -18.698 -3.050 -4.089 1.00 0.00 C ATOM 740 NZ LYS A 49 -20.154 -3.280 -4.298 1.00 0.00 N ATOM 0 H LYS A 49 -14.478 -3.304 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.096 -0.703 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.360 -2.918 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.815 -1.390 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.045 -0.733 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.922 -1.418 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.887 -3.705 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.285 -2.659 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.379 -2.189 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.138 -3.911 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.339 -3.435 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.454 -4.117 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.687 -2.449 -3.972 1.00 0.00 H new ATOM 754 N TYR A 50 -13.747 -0.903 0.371 1.00 0.00 N ATOM 755 CA TYR A 50 -13.238 -0.135 1.501 1.00 0.00 C ATOM 756 C TYR A 50 -12.004 0.668 1.103 1.00 0.00 C ATOM 757 O TYR A 50 -12.001 1.898 1.173 1.00 0.00 O ATOM 758 CB TYR A 50 -12.899 -1.068 2.666 1.00 0.00 C ATOM 759 CG TYR A 50 -14.107 -1.499 3.468 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.264 -1.938 2.837 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.090 -1.469 4.857 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.370 -2.332 3.565 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.190 -1.862 5.593 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.327 -2.292 4.943 1.00 0.00 C ATOM 765 OH TYR A 50 -17.427 -2.686 5.672 1.00 0.00 O ATOM 0 H TYR A 50 -13.397 -1.860 0.319 1.00 0.00 H new ATOM 0 HA TYR A 50 -14.016 0.561 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.397 -1.954 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.193 -0.567 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.300 -1.972 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.201 -1.132 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.262 -2.669 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.160 -1.833 6.672 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.234 -2.599 6.629 1.00 0.00 H new ATOM 775 N TYR A 51 -10.958 -0.035 0.685 1.00 0.00 N ATOM 776 CA TYR A 51 -9.717 0.611 0.276 1.00 0.00 C ATOM 777 C TYR A 51 -10.000 1.861 -0.552 1.00 0.00 C ATOM 778 O TYR A 51 -9.252 2.837 -0.501 1.00 0.00 O ATOM 779 CB TYR A 51 -8.852 -0.361 -0.528 1.00 0.00 C ATOM 780 CG TYR A 51 -7.618 0.277 -1.125 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.527 0.604 -0.328 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.543 0.554 -2.484 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.398 1.188 -0.868 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.417 1.137 -3.033 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.348 1.452 -2.221 1.00 0.00 C ATOM 786 OH TYR A 51 -4.225 2.034 -2.765 1.00 0.00 O ATOM 0 H TYR A 51 -10.945 -1.053 0.620 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.178 0.907 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.548 -1.184 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.453 -0.791 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.563 0.398 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.379 0.310 -3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.559 1.437 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.374 1.345 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.352 2.151 -3.730 1.00 0.00 H new ATOM 796 N LYS A 52 -11.088 1.824 -1.314 1.00 0.00 N ATOM 797 CA LYS A 52 -11.474 2.952 -2.152 1.00 0.00 C ATOM 798 C LYS A 52 -12.384 3.910 -1.390 1.00 0.00 C ATOM 799 O LYS A 52 -12.312 5.127 -1.569 1.00 0.00 O ATOM 800 CB LYS A 52 -12.181 2.457 -3.416 1.00 0.00 C ATOM 801 CG LYS A 52 -11.236 1.876 -4.453 1.00 0.00 C ATOM 802 CD LYS A 52 -10.415 2.961 -5.130 1.00 0.00 C ATOM 803 CE LYS A 52 -11.201 3.645 -6.238 1.00 0.00 C ATOM 804 NZ LYS A 52 -12.011 4.784 -5.722 1.00 0.00 N ATOM 0 H LYS A 52 -11.718 1.024 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.568 3.488 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.914 1.699 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.732 3.285 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.569 1.158 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.809 1.330 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.107 3.701 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.505 2.526 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.513 4.006 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.858 2.920 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.005 4.491 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.651 5.071 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.943 5.585 -6.381 1.00 0.00 H new ATOM 818 N LEU A 53 -13.239 3.355 -0.539 1.00 0.00 N ATOM 819 CA LEU A 53 -14.162 4.159 0.253 1.00 0.00 C ATOM 820 C LEU A 53 -13.455 4.779 1.454 1.00 0.00 C ATOM 821 O LEU A 53 -13.237 5.989 1.504 1.00 0.00 O ATOM 822 CB LEU A 53 -15.340 3.304 0.726 1.00 0.00 C ATOM 823 CG LEU A 53 -16.214 3.913 1.823 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.751 3.447 3.194 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.194 5.433 1.738 1.00 0.00 C ATOM 0 H LEU A 53 -13.312 2.350 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.536 4.964 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.972 3.085 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.950 2.352 1.086 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.239 3.574 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.385 3.890 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.818 2.361 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.718 3.755 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.821 5.850 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.172 5.791 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.575 5.748 0.766 1.00 0.00 H new ATOM 837 N LYS A 54 -13.095 3.939 2.419 1.00 0.00 N ATOM 838 CA LYS A 54 -12.407 4.402 3.619 1.00 0.00 C ATOM 839 C LYS A 54 -11.325 5.418 3.268 1.00 0.00 C ATOM 840 O LYS A 54 -11.004 6.300 4.067 1.00 0.00 O ATOM 841 CB LYS A 54 -11.786 3.218 4.365 1.00 0.00 C ATOM 842 CG LYS A 54 -11.714 3.417 5.868 1.00 0.00 C ATOM 843 CD LYS A 54 -13.005 2.993 6.549 1.00 0.00 C ATOM 844 CE LYS A 54 -12.970 3.287 8.041 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.385 2.107 8.849 1.00 0.00 N ATOM 0 H LYS A 54 -13.268 2.934 2.394 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.141 4.886 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.367 2.321 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.781 3.044 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.882 2.841 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.513 4.465 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.846 3.515 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.168 1.927 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.962 3.588 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.628 4.127 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.232 2.346 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.599 1.311 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.614 1.839 9.493 1.00 0.00 H new ATOM 859 N LEU A 55 -10.766 5.291 2.069 1.00 0.00 N ATOM 860 CA LEU A 55 -9.721 6.200 1.612 1.00 0.00 C ATOM 861 C LEU A 55 -10.311 7.547 1.204 1.00 0.00 C ATOM 862 O LEU A 55 -9.746 8.599 1.502 1.00 0.00 O ATOM 863 CB LEU A 55 -8.962 5.585 0.435 1.00 0.00 C ATOM 864 CG LEU A 55 -7.696 6.321 -0.004 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.623 6.227 1.070 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.183 5.759 -1.323 1.00 0.00 C ATOM 0 H LEU A 55 -11.019 4.567 1.396 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.028 6.363 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.691 4.562 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.639 5.527 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.943 7.373 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.730 6.757 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.991 6.677 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.378 5.180 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.281 6.295 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.953 4.700 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.947 5.879 -2.091 1.00 0.00 H new ATOM 878 N ALA A 56 -11.450 7.505 0.521 1.00 0.00 N ATOM 879 CA ALA A 56 -12.119 8.722 0.076 1.00 0.00 C ATOM 880 C ALA A 56 -12.538 9.583 1.261 1.00 0.00 C ATOM 881 O ALA A 56 -12.418 10.807 1.224 1.00 0.00 O ATOM 882 CB ALA A 56 -13.326 8.376 -0.782 1.00 0.00 C ATOM 0 H ALA A 56 -11.929 6.642 0.264 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.413 9.297 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.816 9.294 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.002 7.809 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.027 7.777 -0.200 1.00 0.00 H new ATOM 888 N GLU A 57 -13.031 8.935 2.313 1.00 0.00 N ATOM 889 CA GLU A 57 -13.470 9.645 3.509 1.00 0.00 C ATOM 890 C GLU A 57 -12.275 10.061 4.364 1.00 0.00 C ATOM 891 O GLU A 57 -12.285 11.122 4.987 1.00 0.00 O ATOM 892 CB GLU A 57 -14.417 8.767 4.330 1.00 0.00 C ATOM 893 CG GLU A 57 -13.741 7.558 4.954 1.00 0.00 C ATOM 894 CD GLU A 57 -14.606 6.880 5.998 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.233 7.595 6.806 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.656 5.632 6.006 1.00 0.00 O ATOM 0 H GLU A 57 -13.136 7.922 2.361 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.000 10.544 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.864 9.370 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.230 8.427 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.493 6.841 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.801 7.868 5.412 1.00 0.00 H new ATOM 903 N MET A 58 -11.250 9.216 4.387 1.00 0.00 N ATOM 904 CA MET A 58 -10.048 9.496 5.165 1.00 0.00 C ATOM 905 C MET A 58 -9.193 10.558 4.480 1.00 0.00 C ATOM 906 O MET A 58 -8.468 11.303 5.139 1.00 0.00 O ATOM 907 CB MET A 58 -9.233 8.217 5.361 1.00 0.00 C ATOM 908 CG MET A 58 -9.896 7.208 6.283 1.00 0.00 C ATOM 909 SD MET A 58 -9.486 7.478 8.019 1.00 0.00 S ATOM 910 CE MET A 58 -7.771 6.964 8.045 1.00 0.00 C ATOM 0 H MET A 58 -11.227 8.333 3.877 1.00 0.00 H new ATOM 0 HA MET A 58 -10.355 9.875 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.063 7.752 4.390 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.255 8.478 5.765 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.977 7.262 6.157 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.591 6.202 5.994 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.329 7.220 9.008 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.712 5.886 7.894 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.227 7.472 7.249 1.00 0.00 H new ATOM 920 N GLN A 59 -9.283 10.621 3.156 1.00 0.00 N ATOM 921 CA GLN A 59 -8.517 11.592 2.384 1.00 0.00 C ATOM 922 C GLN A 59 -9.126 12.986 2.503 1.00 0.00 C ATOM 923 O GLN A 59 -8.417 13.966 2.728 1.00 0.00 O ATOM 924 CB GLN A 59 -8.457 11.173 0.914 1.00 0.00 C ATOM 925 CG GLN A 59 -7.255 10.304 0.577 1.00 0.00 C ATOM 926 CD GLN A 59 -6.555 10.744 -0.692 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.835 11.743 -0.705 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.760 9.998 -1.771 1.00 0.00 N ATOM 0 H GLN A 59 -9.878 10.011 2.595 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.505 11.622 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.369 10.631 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.435 12.067 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.548 10.332 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.579 9.269 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.364 9.178 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.313 10.245 -2.654 1.00 0.00 H new