USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 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 :FLIP amide:sc= -1.19 F(o=-2.5!,f=-1.2) 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 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.23 K(o=-0.23,f=-1.4!) USER MOD Single : A 45 SER OG : rot 170:sc= -0.122 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+ 127:sc= -0.164 (180deg=-1.41!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 177:sc= -0.142 (180deg=-0.153) USER MOD Single : A 59 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.308 -5.878 8.066 1.00 0.00 N ATOM 83 CA GLY A 9 -10.552 -5.472 9.237 1.00 0.00 C ATOM 84 C GLY A 9 -9.151 -5.009 8.889 1.00 0.00 C ATOM 85 O GLY A 9 -8.628 -4.075 9.498 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.082 -4.667 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.493 -6.307 9.935 1.00 0.00 H new ATOM 89 N THR A 10 -8.539 -5.664 7.908 1.00 0.00 N ATOM 90 CA THR A 10 -7.189 -5.317 7.482 1.00 0.00 C ATOM 91 C THR A 10 -7.166 -3.966 6.775 1.00 0.00 C ATOM 92 O THR A 10 -6.337 -3.109 7.082 1.00 0.00 O ATOM 93 CB THR A 10 -6.605 -6.386 6.540 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.500 -7.639 7.226 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.234 -5.966 6.029 1.00 0.00 C ATOM 0 H THR A 10 -8.957 -6.439 7.393 1.00 0.00 H new ATOM 0 HA THR A 10 -6.577 -5.264 8.383 1.00 0.00 H new ATOM 0 HB THR A 10 -7.276 -6.494 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.129 -8.314 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.841 -6.737 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.321 -5.027 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.556 -5.833 6.872 1.00 0.00 H new ATOM 103 N ILE A 11 -8.080 -3.783 5.829 1.00 0.00 N ATOM 104 CA ILE A 11 -8.165 -2.535 5.080 1.00 0.00 C ATOM 105 C ILE A 11 -8.335 -1.343 6.016 1.00 0.00 C ATOM 106 O ILE A 11 -7.540 -0.403 5.991 1.00 0.00 O ATOM 107 CB ILE A 11 -9.335 -2.558 4.078 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.135 -3.676 3.053 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.463 -1.210 3.383 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.317 -4.612 2.942 1.00 0.00 C ATOM 0 H ILE A 11 -8.772 -4.483 5.563 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.229 -2.432 4.531 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.258 -2.753 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.940 -3.232 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.250 -4.252 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.294 -1.242 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.647 -0.434 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.540 -0.988 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.105 -5.379 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.499 -5.084 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.200 -4.049 2.641 1.00 0.00 H new ATOM 122 N ASP A 12 -9.375 -1.390 6.841 1.00 0.00 N ATOM 123 CA ASP A 12 -9.648 -0.315 7.789 1.00 0.00 C ATOM 124 C ASP A 12 -8.354 0.208 8.405 1.00 0.00 C ATOM 125 O ASP A 12 -8.256 1.382 8.761 1.00 0.00 O ATOM 126 CB ASP A 12 -10.591 -0.804 8.890 1.00 0.00 C ATOM 127 CG ASP A 12 -10.977 0.301 9.853 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.870 1.485 9.471 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.386 -0.019 10.990 1.00 0.00 O ATOM 0 H ASP A 12 -10.043 -2.160 6.873 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.127 0.501 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.492 -1.218 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.112 -1.613 9.442 1.00 0.00 H new ATOM 134 N GLN A 13 -7.365 -0.671 8.528 1.00 0.00 N ATOM 135 CA GLN A 13 -6.079 -0.298 9.103 1.00 0.00 C ATOM 136 C GLN A 13 -5.101 0.134 8.016 1.00 0.00 C ATOM 137 O GLN A 13 -4.367 1.110 8.178 1.00 0.00 O ATOM 138 CB GLN A 13 -5.492 -1.467 9.898 1.00 0.00 C ATOM 139 CG GLN A 13 -6.248 -1.770 11.182 1.00 0.00 C ATOM 140 CD GLN A 13 -6.442 -3.256 11.407 1.00 0.00 C ATOM 141 OE1 GLN A 13 -7.670 -3.653 11.717 1.00 0.00 O flip ATOM 142 NE2 GLN A 13 -5.497 -4.040 11.306 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.430 -1.646 8.237 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.242 0.544 9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.488 -2.358 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.453 -1.245 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.706 -1.346 12.027 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.222 -1.281 11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.569 -3.692 11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.643 -5.037 11.463 1.00 0.00 H new ATOM 151 N LEU A 14 -5.095 -0.598 6.907 1.00 0.00 N ATOM 152 CA LEU A 14 -4.206 -0.291 5.792 1.00 0.00 C ATOM 153 C LEU A 14 -4.449 1.124 5.276 1.00 0.00 C ATOM 154 O LEU A 14 -3.539 1.953 5.256 1.00 0.00 O ATOM 155 CB LEU A 14 -4.409 -1.300 4.660 1.00 0.00 C ATOM 156 CG LEU A 14 -3.737 -0.960 3.330 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.253 -0.693 3.533 1.00 0.00 C ATOM 158 CD2 LEU A 14 -3.946 -2.084 2.323 1.00 0.00 C ATOM 0 H LEU A 14 -5.696 -1.408 6.756 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.178 -0.357 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.039 -2.270 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.479 -1.410 4.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.197 -0.054 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.792 -0.453 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.124 0.145 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.778 -1.580 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.461 -1.824 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.514 -3.006 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.013 -2.227 2.153 1.00 0.00 H new ATOM 170 N VAL A 15 -5.682 1.394 4.863 1.00 0.00 N ATOM 171 CA VAL A 15 -6.046 2.710 4.350 1.00 0.00 C ATOM 172 C VAL A 15 -5.464 3.819 5.221 1.00 0.00 C ATOM 173 O VAL A 15 -4.819 4.741 4.721 1.00 0.00 O ATOM 174 CB VAL A 15 -7.575 2.881 4.276 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.944 4.352 4.175 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.141 2.099 3.099 1.00 0.00 C ATOM 0 H VAL A 15 -6.447 0.719 4.873 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.631 2.784 3.345 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.012 2.484 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.028 4.452 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.572 4.882 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.497 4.778 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.222 2.231 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.698 2.465 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.908 1.041 3.219 1.00 0.00 H new ATOM 186 N LYS A 16 -5.696 3.722 6.525 1.00 0.00 N ATOM 187 CA LYS A 16 -5.192 4.715 7.468 1.00 0.00 C ATOM 188 C LYS A 16 -3.713 4.994 7.226 1.00 0.00 C ATOM 189 O LYS A 16 -3.246 6.118 7.412 1.00 0.00 O ATOM 190 CB LYS A 16 -5.404 4.236 8.906 1.00 0.00 C ATOM 191 CG LYS A 16 -4.143 3.700 9.560 1.00 0.00 C ATOM 192 CD LYS A 16 -4.460 2.898 10.812 1.00 0.00 C ATOM 193 CE LYS A 16 -3.687 3.414 12.015 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.088 2.722 13.271 1.00 0.00 N ATOM 0 H LYS A 16 -6.230 2.966 6.954 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.747 5.640 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.789 5.063 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.166 3.457 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.604 3.071 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.484 4.530 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.529 2.948 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.217 1.849 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.619 3.273 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.854 4.486 12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.538 3.102 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.102 2.877 13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.905 1.702 13.179 1.00 0.00 H new ATOM 208 N ARG A 17 -2.982 3.966 6.809 1.00 0.00 N ATOM 209 CA ARG A 17 -1.555 4.101 6.541 1.00 0.00 C ATOM 210 C ARG A 17 -1.310 5.032 5.357 1.00 0.00 C ATOM 211 O ARG A 17 -0.787 6.135 5.518 1.00 0.00 O ATOM 212 CB ARG A 17 -0.933 2.731 6.265 1.00 0.00 C ATOM 213 CG ARG A 17 -1.167 1.721 7.376 1.00 0.00 C ATOM 214 CD ARG A 17 -0.102 0.636 7.375 1.00 0.00 C ATOM 215 NE ARG A 17 0.027 -0.006 8.681 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.777 -0.974 9.106 1.00 0.00 C ATOM 217 NH1 ARG A 17 -1.763 -1.409 8.333 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.597 -1.509 10.307 1.00 0.00 N ATOM 0 H ARG A 17 -3.354 3.030 6.649 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.085 4.533 7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.342 2.336 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.140 2.852 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.167 2.231 8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.151 1.267 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.350 -0.115 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.856 1.069 7.088 1.00 0.00 H new ATOM 0 HE ARG A 17 0.775 0.306 9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.905 -1.000 7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.379 -2.153 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.160 -1.177 10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.215 -2.252 10.632 1.00 0.00 H new ATOM 232 N VAL A 18 -1.690 4.578 4.167 1.00 0.00 N ATOM 233 CA VAL A 18 -1.512 5.369 2.954 1.00 0.00 C ATOM 234 C VAL A 18 -1.970 6.808 3.166 1.00 0.00 C ATOM 235 O VAL A 18 -1.514 7.721 2.478 1.00 0.00 O ATOM 236 CB VAL A 18 -2.290 4.764 1.771 1.00 0.00 C ATOM 237 CG1 VAL A 18 -2.244 3.244 1.823 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.726 5.263 1.765 1.00 0.00 C ATOM 0 H VAL A 18 -2.123 3.667 4.017 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.447 5.359 2.722 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.815 5.086 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.799 2.834 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.208 2.909 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.692 2.898 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.260 4.825 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.216 4.973 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.733 6.349 1.674 1.00 0.00 H new ATOM 248 N ILE A 19 -2.872 7.002 4.121 1.00 0.00 N ATOM 249 CA ILE A 19 -3.389 8.331 4.425 1.00 0.00 C ATOM 250 C ILE A 19 -2.385 9.139 5.240 1.00 0.00 C ATOM 251 O ILE A 19 -2.034 10.260 4.875 1.00 0.00 O ATOM 252 CB ILE A 19 -4.719 8.254 5.198 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.793 7.579 4.342 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.167 9.645 5.620 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.542 8.540 3.445 1.00 0.00 C ATOM 0 H ILE A 19 -3.260 6.256 4.698 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.561 8.829 3.471 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.567 7.655 6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.326 6.810 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.505 7.076 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.108 9.574 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.408 10.092 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.306 10.267 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.287 7.993 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.038 9.295 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.841 9.025 2.766 1.00 0.00 H new ATOM 267 N GLU A 20 -1.927 8.560 6.345 1.00 0.00 N ATOM 268 CA GLU A 20 -0.962 9.227 7.212 1.00 0.00 C ATOM 269 C GLU A 20 0.456 9.064 6.675 1.00 0.00 C ATOM 270 O GLU A 20 1.400 9.664 7.188 1.00 0.00 O ATOM 271 CB GLU A 20 -1.048 8.668 8.634 1.00 0.00 C ATOM 272 CG GLU A 20 -2.452 8.249 9.039 1.00 0.00 C ATOM 273 CD GLU A 20 -2.908 8.906 10.328 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.072 9.058 11.243 1.00 0.00 O ATOM 275 OE2 GLU A 20 -4.099 9.266 10.421 1.00 0.00 O ATOM 0 H GLU A 20 -2.208 7.632 6.661 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.204 10.290 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.383 7.809 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.686 9.421 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.148 8.504 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.484 7.166 9.156 1.00 0.00 H new ATOM 282 N GLY A 21 0.599 8.244 5.637 1.00 0.00 N ATOM 283 CA GLY A 21 1.905 8.015 5.047 1.00 0.00 C ATOM 284 C GLY A 21 2.785 7.132 5.911 1.00 0.00 C ATOM 285 O GLY A 21 3.897 6.779 5.519 1.00 0.00 O ATOM 0 H GLY A 21 -0.166 7.735 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.782 7.553 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.401 8.972 4.888 1.00 0.00 H new ATOM 289 N SER A 22 2.286 6.777 7.091 1.00 0.00 N ATOM 290 CA SER A 22 3.037 5.934 8.015 1.00 0.00 C ATOM 291 C SER A 22 3.788 4.840 7.264 1.00 0.00 C ATOM 292 O SER A 22 4.808 4.336 7.736 1.00 0.00 O ATOM 293 CB SER A 22 2.095 5.308 9.045 1.00 0.00 C ATOM 294 OG SER A 22 2.764 4.322 9.813 1.00 0.00 O ATOM 0 H SER A 22 1.366 7.059 7.430 1.00 0.00 H new ATOM 0 HA SER A 22 3.765 6.560 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.704 6.083 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.241 4.860 8.537 1.00 0.00 H new ATOM 0 HG SER A 22 2.142 3.938 10.465 1.00 0.00 H new ATOM 300 N LEU A 23 3.278 4.477 6.094 1.00 0.00 N ATOM 301 CA LEU A 23 3.899 3.441 5.275 1.00 0.00 C ATOM 302 C LEU A 23 4.644 4.055 4.094 1.00 0.00 C ATOM 303 O LEU A 23 4.145 4.971 3.440 1.00 0.00 O ATOM 304 CB LEU A 23 2.841 2.459 4.770 1.00 0.00 C ATOM 305 CG LEU A 23 2.281 2.733 3.374 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.707 1.461 2.769 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.223 3.825 3.429 1.00 0.00 C ATOM 0 H LEU A 23 2.435 4.885 5.690 1.00 0.00 H new ATOM 0 HA LEU A 23 4.617 2.904 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.271 1.458 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.012 2.454 5.477 1.00 0.00 H new ATOM 0 HG LEU A 23 3.096 3.077 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.313 1.676 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.491 0.708 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.904 1.086 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.835 4.007 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.409 3.510 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.666 4.742 3.819 1.00 0.00 H new ATOM 319 N SER A 24 5.841 3.542 3.825 1.00 0.00 N ATOM 320 CA SER A 24 6.656 4.041 2.723 1.00 0.00 C ATOM 321 C SER A 24 5.842 4.114 1.435 1.00 0.00 C ATOM 322 O SER A 24 4.788 3.492 1.300 1.00 0.00 O ATOM 323 CB SER A 24 7.877 3.143 2.517 1.00 0.00 C ATOM 324 OG SER A 24 9.052 3.758 3.017 1.00 0.00 O ATOM 0 H SER A 24 6.267 2.782 4.355 1.00 0.00 H new ATOM 0 HA SER A 24 6.991 5.046 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.720 2.189 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.999 2.927 1.456 1.00 0.00 H new ATOM 0 HG SER A 24 9.818 3.164 2.875 1.00 0.00 H new ATOM 330 N PRO A 25 6.341 4.894 0.464 1.00 0.00 N ATOM 331 CA PRO A 25 5.677 5.067 -0.831 1.00 0.00 C ATOM 332 C PRO A 25 5.729 3.803 -1.684 1.00 0.00 C ATOM 333 O PRO A 25 4.778 3.483 -2.397 1.00 0.00 O ATOM 334 CB PRO A 25 6.478 6.192 -1.492 1.00 0.00 C ATOM 335 CG PRO A 25 7.824 6.121 -0.858 1.00 0.00 C ATOM 336 CD PRO A 25 7.592 5.665 0.556 1.00 0.00 C ATOM 0 HA PRO A 25 4.616 5.289 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.541 6.052 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.011 7.162 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.470 5.424 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.317 7.093 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.416 5.052 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.495 6.508 1.240 1.00 0.00 H new ATOM 344 N LYS A 26 6.845 3.088 -1.605 1.00 0.00 N ATOM 345 CA LYS A 26 7.021 1.857 -2.368 1.00 0.00 C ATOM 346 C LYS A 26 6.161 0.735 -1.795 1.00 0.00 C ATOM 347 O LYS A 26 5.598 -0.067 -2.540 1.00 0.00 O ATOM 348 CB LYS A 26 8.494 1.437 -2.364 1.00 0.00 C ATOM 349 CG LYS A 26 8.804 0.302 -3.323 1.00 0.00 C ATOM 350 CD LYS A 26 9.135 0.819 -4.713 1.00 0.00 C ATOM 351 CE LYS A 26 10.637 0.909 -4.932 1.00 0.00 C ATOM 352 NZ LYS A 26 11.087 2.315 -5.121 1.00 0.00 N ATOM 0 H LYS A 26 7.642 3.339 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 26 6.705 2.046 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.110 2.299 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.775 1.136 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.643 -0.279 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.949 -0.372 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.696 0.159 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.686 1.803 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.155 0.474 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.912 0.319 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.117 2.333 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.612 2.723 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.847 2.873 -4.277 1.00 0.00 H new ATOM 366 N GLU A 27 6.063 0.687 -0.471 1.00 0.00 N ATOM 367 CA GLU A 27 5.270 -0.337 0.199 1.00 0.00 C ATOM 368 C GLU A 27 3.879 -0.439 -0.420 1.00 0.00 C ATOM 369 O GLU A 27 3.400 -1.534 -0.720 1.00 0.00 O ATOM 370 CB GLU A 27 5.154 -0.028 1.693 1.00 0.00 C ATOM 371 CG GLU A 27 6.153 -0.785 2.551 1.00 0.00 C ATOM 372 CD GLU A 27 5.617 -2.120 3.031 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.604 -2.123 3.761 1.00 0.00 O ATOM 374 OE2 GLU A 27 6.211 -3.160 2.678 1.00 0.00 O ATOM 0 H GLU A 27 6.522 1.345 0.159 1.00 0.00 H new ATOM 0 HA GLU A 27 5.777 -1.294 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.294 1.042 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.145 -0.268 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.066 -0.949 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.422 -0.175 3.413 1.00 0.00 H new ATOM 381 N ARG A 28 3.236 0.708 -0.609 1.00 0.00 N ATOM 382 CA ARG A 28 1.899 0.748 -1.190 1.00 0.00 C ATOM 383 C ARG A 28 1.853 -0.031 -2.501 1.00 0.00 C ATOM 384 O ARG A 28 0.978 -0.873 -2.706 1.00 0.00 O ATOM 385 CB ARG A 28 1.468 2.196 -1.429 1.00 0.00 C ATOM 386 CG ARG A 28 1.222 2.979 -0.150 1.00 0.00 C ATOM 387 CD ARG A 28 0.665 4.362 -0.441 1.00 0.00 C ATOM 388 NE ARG A 28 -0.426 4.320 -1.411 1.00 0.00 N ATOM 389 CZ ARG A 28 -0.241 4.341 -2.726 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.986 4.402 -3.225 1.00 0.00 N ATOM 391 NH2 ARG A 28 -1.284 4.299 -3.545 1.00 0.00 N ATOM 0 H ARG A 28 3.619 1.622 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 28 1.209 0.282 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.236 2.703 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.558 2.201 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.525 2.431 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.155 3.071 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.309 4.812 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.462 5.002 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.382 4.272 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.790 4.433 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.125 4.418 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.229 4.251 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.141 4.315 -4.555 1.00 0.00 H new ATOM 405 N THR A 29 2.801 0.256 -3.387 1.00 0.00 N ATOM 406 CA THR A 29 2.869 -0.417 -4.680 1.00 0.00 C ATOM 407 C THR A 29 3.189 -1.897 -4.513 1.00 0.00 C ATOM 408 O THR A 29 2.866 -2.714 -5.377 1.00 0.00 O ATOM 409 CB THR A 29 3.928 0.227 -5.593 1.00 0.00 C ATOM 410 OG1 THR A 29 3.431 1.457 -6.131 1.00 0.00 O ATOM 411 CG2 THR A 29 4.306 -0.712 -6.728 1.00 0.00 C ATOM 0 H THR A 29 3.533 0.950 -3.234 1.00 0.00 H new ATOM 0 HA THR A 29 1.888 -0.311 -5.144 1.00 0.00 H new ATOM 0 HB THR A 29 4.817 0.427 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.112 1.860 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.056 -0.236 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.713 -1.636 -6.316 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.421 -0.939 -7.323 1.00 0.00 H new ATOM 419 N LEU A 30 3.825 -2.238 -3.398 1.00 0.00 N ATOM 420 CA LEU A 30 4.188 -3.623 -3.117 1.00 0.00 C ATOM 421 C LEU A 30 3.012 -4.384 -2.516 1.00 0.00 C ATOM 422 O LEU A 30 2.949 -5.612 -2.591 1.00 0.00 O ATOM 423 CB LEU A 30 5.383 -3.673 -2.164 1.00 0.00 C ATOM 424 CG LEU A 30 6.674 -3.029 -2.670 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.688 -2.908 -1.544 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.253 -3.831 -3.827 1.00 0.00 C ATOM 0 H LEU A 30 4.100 -1.575 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 30 4.461 -4.099 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.099 -3.185 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.590 -4.717 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 30 6.440 -2.027 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.600 -2.447 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.274 -2.290 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.918 -3.899 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.171 -3.358 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.471 -4.845 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.531 -3.865 -4.643 1.00 0.00 H new ATOM 438 N LEU A 31 2.078 -3.648 -1.922 1.00 0.00 N ATOM 439 CA LEU A 31 0.900 -4.253 -1.310 1.00 0.00 C ATOM 440 C LEU A 31 0.201 -5.192 -2.287 1.00 0.00 C ATOM 441 O LEU A 31 -0.272 -6.264 -1.905 1.00 0.00 O ATOM 442 CB LEU A 31 -0.072 -3.167 -0.845 1.00 0.00 C ATOM 443 CG LEU A 31 0.420 -2.269 0.291 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.610 -1.194 0.605 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.725 -3.096 1.532 1.00 0.00 C ATOM 0 H LEU A 31 2.114 -2.631 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 31 1.227 -4.833 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.317 -2.537 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.997 -3.647 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 31 1.340 -1.780 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.243 -0.564 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.779 -0.582 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.546 -1.664 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.074 -2.440 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.178 -3.613 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.498 -3.828 1.300 1.00 0.00 H new ATOM 457 N LYS A 32 0.141 -4.786 -3.551 1.00 0.00 N ATOM 458 CA LYS A 32 -0.497 -5.592 -4.585 1.00 0.00 C ATOM 459 C LYS A 32 0.206 -6.937 -4.737 1.00 0.00 C ATOM 460 O LYS A 32 -0.436 -7.959 -4.977 1.00 0.00 O ATOM 461 CB LYS A 32 -0.488 -4.846 -5.920 1.00 0.00 C ATOM 462 CG LYS A 32 -0.952 -3.403 -5.814 1.00 0.00 C ATOM 463 CD LYS A 32 -1.929 -3.049 -6.923 1.00 0.00 C ATOM 464 CE LYS A 32 -2.475 -1.639 -6.755 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.227 -0.801 -7.962 1.00 0.00 N ATOM 0 H LYS A 32 0.527 -3.903 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.529 -5.773 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.522 -4.865 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.129 -5.374 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.426 -3.242 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.090 -2.738 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.431 -3.135 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.753 -3.762 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.546 -1.685 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.012 -1.171 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.614 0.152 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.204 -0.736 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.690 -1.234 -8.786 1.00 0.00 H new ATOM 479 N GLU A 33 1.528 -6.928 -4.596 1.00 0.00 N ATOM 480 CA GLU A 33 2.316 -8.148 -4.717 1.00 0.00 C ATOM 481 C GLU A 33 1.995 -9.120 -3.586 1.00 0.00 C ATOM 482 O GLU A 33 2.329 -10.303 -3.655 1.00 0.00 O ATOM 483 CB GLU A 33 3.811 -7.818 -4.712 1.00 0.00 C ATOM 484 CG GLU A 33 4.217 -6.813 -5.776 1.00 0.00 C ATOM 485 CD GLU A 33 5.696 -6.875 -6.104 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.166 -7.956 -6.518 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.382 -5.844 -5.947 1.00 0.00 O ATOM 0 H GLU A 33 2.075 -6.090 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 33 2.058 -8.623 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.085 -7.427 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.378 -8.738 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.640 -6.996 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.966 -5.808 -5.436 1.00 0.00 H new ATOM 494 N ASP A 34 1.345 -8.612 -2.545 1.00 0.00 N ATOM 495 CA ASP A 34 0.977 -9.433 -1.398 1.00 0.00 C ATOM 496 C ASP A 34 -0.395 -10.069 -1.602 1.00 0.00 C ATOM 497 O ASP A 34 -1.312 -9.459 -2.151 1.00 0.00 O ATOM 498 CB ASP A 34 0.979 -8.592 -0.120 1.00 0.00 C ATOM 499 CG ASP A 34 1.560 -9.341 1.064 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.792 -9.536 1.095 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.782 -9.731 1.960 1.00 0.00 O ATOM 0 H ASP A 34 1.062 -7.635 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 34 1.715 -10.229 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.554 -7.682 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.041 -8.286 0.112 1.00 0.00 H new ATOM 506 N PRO A 35 -0.540 -11.322 -1.149 1.00 0.00 N ATOM 507 CA PRO A 35 -1.796 -12.068 -1.272 1.00 0.00 C ATOM 508 C PRO A 35 -2.891 -11.512 -0.368 1.00 0.00 C ATOM 509 O PRO A 35 -4.074 -11.573 -0.700 1.00 0.00 O ATOM 510 CB PRO A 35 -1.411 -13.485 -0.837 1.00 0.00 C ATOM 511 CG PRO A 35 -0.233 -13.300 0.054 1.00 0.00 C ATOM 512 CD PRO A 35 0.511 -12.110 -0.484 1.00 0.00 C ATOM 0 HA PRO A 35 -2.206 -12.014 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.231 -13.975 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.164 -14.109 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.546 -13.131 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.399 -14.188 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.994 -11.544 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.293 -12.407 -1.183 1.00 0.00 H new ATOM 520 N ALA A 36 -2.487 -10.969 0.776 1.00 0.00 N ATOM 521 CA ALA A 36 -3.434 -10.400 1.727 1.00 0.00 C ATOM 522 C ALA A 36 -4.214 -9.247 1.103 1.00 0.00 C ATOM 523 O ALA A 36 -5.290 -8.884 1.578 1.00 0.00 O ATOM 524 CB ALA A 36 -2.707 -9.930 2.979 1.00 0.00 C ATOM 0 H ALA A 36 -1.511 -10.911 1.066 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.145 -11.179 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.426 -9.507 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.200 -10.775 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.973 -9.170 2.710 1.00 0.00 H new ATOM 530 N TYR A 37 -3.664 -8.677 0.036 1.00 0.00 N ATOM 531 CA TYR A 37 -4.308 -7.564 -0.652 1.00 0.00 C ATOM 532 C TYR A 37 -4.659 -7.941 -2.088 1.00 0.00 C ATOM 533 O TYR A 37 -4.405 -7.180 -3.021 1.00 0.00 O ATOM 534 CB TYR A 37 -3.395 -6.336 -0.644 1.00 0.00 C ATOM 535 CG TYR A 37 -2.940 -5.929 0.739 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.831 -5.372 1.649 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.620 -6.101 1.136 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.419 -4.998 2.913 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.200 -5.731 2.400 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.103 -5.179 3.283 1.00 0.00 C ATOM 541 OH TYR A 37 -1.690 -4.809 4.543 1.00 0.00 O ATOM 0 H TYR A 37 -2.775 -8.967 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.230 -7.327 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.519 -6.541 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.921 -5.500 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.863 -5.229 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.910 -6.531 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.124 -4.566 3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.171 -5.874 2.694 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.735 -5.004 4.645 1.00 0.00 H new ATOM 551 N TRP A 38 -5.245 -9.121 -2.256 1.00 0.00 N ATOM 552 CA TRP A 38 -5.634 -9.600 -3.578 1.00 0.00 C ATOM 553 C TRP A 38 -6.835 -8.825 -4.107 1.00 0.00 C ATOM 554 O TRP A 38 -6.998 -8.662 -5.316 1.00 0.00 O ATOM 555 CB TRP A 38 -5.959 -11.094 -3.526 1.00 0.00 C ATOM 556 CG TRP A 38 -7.105 -11.422 -2.619 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.037 -12.025 -1.396 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.493 -11.165 -2.864 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.298 -12.159 -0.867 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.208 -11.639 -1.748 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.199 -10.579 -3.918 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.594 -11.545 -1.657 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.575 -10.488 -3.827 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.261 -10.968 -2.703 1.00 0.00 C ATOM 0 H TRP A 38 -5.461 -9.764 -1.494 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.795 -9.440 -4.256 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.190 -11.443 -4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.075 -11.639 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.126 -12.349 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.520 -12.578 0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.679 -10.204 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.124 -11.914 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.132 -10.039 -4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.337 -10.881 -2.662 1.00 0.00 H new ATOM 575 N PHE A 39 -7.674 -8.346 -3.194 1.00 0.00 N ATOM 576 CA PHE A 39 -8.862 -7.587 -3.569 1.00 0.00 C ATOM 577 C PHE A 39 -8.481 -6.335 -4.353 1.00 0.00 C ATOM 578 O PHE A 39 -9.229 -5.878 -5.219 1.00 0.00 O ATOM 579 CB PHE A 39 -9.660 -7.200 -2.323 1.00 0.00 C ATOM 580 CG PHE A 39 -8.879 -6.372 -1.344 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.770 -5.000 -1.508 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.254 -6.964 -0.259 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.052 -4.235 -0.609 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.535 -6.204 0.644 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.433 -4.839 0.469 1.00 0.00 C ATOM 0 H PHE A 39 -7.553 -8.470 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.481 -8.219 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.548 -6.646 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.005 -8.107 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.252 -4.523 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.329 -8.032 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.975 -3.167 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.053 -6.678 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.871 -4.244 1.173 1.00 0.00 H new ATOM 595 N LEU A 40 -7.313 -5.782 -4.043 1.00 0.00 N ATOM 596 CA LEU A 40 -6.832 -4.581 -4.718 1.00 0.00 C ATOM 597 C LEU A 40 -7.115 -4.646 -6.215 1.00 0.00 C ATOM 598 O LEU A 40 -7.531 -3.659 -6.821 1.00 0.00 O ATOM 599 CB LEU A 40 -5.332 -4.405 -4.478 1.00 0.00 C ATOM 600 CG LEU A 40 -4.922 -3.981 -3.067 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.410 -4.037 -2.910 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.440 -2.584 -2.758 1.00 0.00 C ATOM 0 H LEU A 40 -6.682 -6.146 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.364 -3.724 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.834 -5.346 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.957 -3.662 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.367 -4.678 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.138 -3.732 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.063 -5.055 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.944 -3.364 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.139 -2.299 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.025 -1.875 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.528 -2.576 -2.828 1.00 0.00 H new ATOM 614 N SER A 41 -6.889 -5.816 -6.804 1.00 0.00 N ATOM 615 CA SER A 41 -7.119 -6.010 -8.231 1.00 0.00 C ATOM 616 C SER A 41 -8.611 -6.105 -8.533 1.00 0.00 C ATOM 617 O SER A 41 -9.075 -5.641 -9.574 1.00 0.00 O ATOM 618 CB SER A 41 -6.407 -7.274 -8.716 1.00 0.00 C ATOM 619 OG SER A 41 -5.344 -6.955 -9.597 1.00 0.00 O ATOM 0 H SER A 41 -6.547 -6.643 -6.315 1.00 0.00 H new ATOM 0 HA SER A 41 -6.714 -5.147 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.021 -7.828 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.120 -7.925 -9.222 1.00 0.00 H new ATOM 0 HG SER A 41 -4.904 -7.780 -9.891 1.00 0.00 H new ATOM 625 N ASP A 42 -9.356 -6.709 -7.614 1.00 0.00 N ATOM 626 CA ASP A 42 -10.797 -6.865 -7.780 1.00 0.00 C ATOM 627 C ASP A 42 -11.531 -5.589 -7.380 1.00 0.00 C ATOM 628 O ASP A 42 -11.296 -5.038 -6.304 1.00 0.00 O ATOM 629 CB ASP A 42 -11.304 -8.043 -6.947 1.00 0.00 C ATOM 630 CG ASP A 42 -12.460 -8.765 -7.610 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.612 -8.309 -7.453 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.214 -9.787 -8.284 1.00 0.00 O ATOM 0 H ASP A 42 -8.987 -7.099 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.997 -7.063 -8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.487 -8.746 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.618 -7.683 -5.967 1.00 0.00 H new ATOM 637 N GLU A 43 -12.421 -5.125 -8.252 1.00 0.00 N ATOM 638 CA GLU A 43 -13.187 -3.913 -7.988 1.00 0.00 C ATOM 639 C GLU A 43 -14.604 -4.253 -7.538 1.00 0.00 C ATOM 640 O GLU A 43 -15.139 -3.637 -6.616 1.00 0.00 O ATOM 641 CB GLU A 43 -13.235 -3.031 -9.238 1.00 0.00 C ATOM 642 CG GLU A 43 -11.863 -2.651 -9.768 1.00 0.00 C ATOM 643 CD GLU A 43 -11.434 -3.507 -10.944 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.301 -3.851 -11.775 1.00 0.00 O ATOM 645 OE2 GLU A 43 -10.232 -3.831 -11.034 1.00 0.00 O ATOM 0 H GLU A 43 -12.629 -5.570 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.690 -3.367 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.785 -3.554 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.792 -2.122 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.872 -1.604 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.129 -2.746 -8.968 1.00 0.00 H new ATOM 652 N ASN A 44 -15.208 -5.239 -8.194 1.00 0.00 N ATOM 653 CA ASN A 44 -16.564 -5.660 -7.863 1.00 0.00 C ATOM 654 C ASN A 44 -16.570 -6.548 -6.622 1.00 0.00 C ATOM 655 O ASN A 44 -17.223 -7.591 -6.596 1.00 0.00 O ATOM 656 CB ASN A 44 -17.191 -6.408 -9.041 1.00 0.00 C ATOM 657 CG ASN A 44 -18.564 -5.876 -9.400 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.853 -4.694 -9.209 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.419 -6.748 -9.922 1.00 0.00 N ATOM 0 H ASN A 44 -14.779 -5.761 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.153 -4.767 -7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.536 -6.328 -9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.268 -7.467 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.358 -6.448 -10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.136 -7.718 -10.062 1.00 0.00 H new ATOM 666 N SER A 45 -15.837 -6.127 -5.597 1.00 0.00 N ATOM 667 CA SER A 45 -15.754 -6.885 -4.354 1.00 0.00 C ATOM 668 C SER A 45 -16.047 -5.992 -3.152 1.00 0.00 C ATOM 669 O SER A 45 -16.419 -4.827 -3.305 1.00 0.00 O ATOM 670 CB SER A 45 -14.368 -7.516 -4.208 1.00 0.00 C ATOM 671 OG SER A 45 -13.348 -6.540 -4.324 1.00 0.00 O ATOM 0 H SER A 45 -15.292 -5.265 -5.602 1.00 0.00 H new ATOM 0 HA SER A 45 -16.504 -7.675 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.291 -8.013 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.231 -8.282 -4.972 1.00 0.00 H new ATOM 0 HG SER A 45 -12.488 -6.934 -4.069 1.00 0.00 H new ATOM 677 N LEU A 46 -15.876 -6.544 -1.956 1.00 0.00 N ATOM 678 CA LEU A 46 -16.122 -5.799 -0.727 1.00 0.00 C ATOM 679 C LEU A 46 -14.818 -5.263 -0.145 1.00 0.00 C ATOM 680 O LEU A 46 -14.733 -4.100 0.246 1.00 0.00 O ATOM 681 CB LEU A 46 -16.825 -6.688 0.301 1.00 0.00 C ATOM 682 CG LEU A 46 -16.521 -6.389 1.769 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.204 -7.029 2.182 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.484 -4.887 2.009 1.00 0.00 C ATOM 0 H LEU A 46 -15.568 -7.505 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.766 -4.953 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.901 -6.603 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.556 -7.725 0.099 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.316 -6.816 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.004 -6.806 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.266 -8.109 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.397 -6.632 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.266 -4.692 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.709 -4.438 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.451 -4.454 1.752 1.00 0.00 H new ATOM 696 N GLU A 47 -13.803 -6.121 -0.092 1.00 0.00 N ATOM 697 CA GLU A 47 -12.502 -5.733 0.441 1.00 0.00 C ATOM 698 C GLU A 47 -11.931 -4.546 -0.328 1.00 0.00 C ATOM 699 O GLU A 47 -11.199 -3.726 0.227 1.00 0.00 O ATOM 700 CB GLU A 47 -11.529 -6.911 0.380 1.00 0.00 C ATOM 701 CG GLU A 47 -12.007 -8.137 1.139 1.00 0.00 C ATOM 702 CD GLU A 47 -12.585 -9.201 0.227 1.00 0.00 C ATOM 703 OE1 GLU A 47 -13.254 -8.833 -0.763 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.371 -10.400 0.501 1.00 0.00 O ATOM 0 H GLU A 47 -13.857 -7.088 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.638 -5.438 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.365 -7.181 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.566 -6.597 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.174 -8.559 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.762 -7.838 1.866 1.00 0.00 H new ATOM 711 N TYR A 48 -12.270 -4.462 -1.611 1.00 0.00 N ATOM 712 CA TYR A 48 -11.788 -3.377 -2.458 1.00 0.00 C ATOM 713 C TYR A 48 -12.655 -2.132 -2.295 1.00 0.00 C ATOM 714 O TYR A 48 -12.215 -1.014 -2.563 1.00 0.00 O ATOM 715 CB TYR A 48 -11.776 -3.815 -3.924 1.00 0.00 C ATOM 716 CG TYR A 48 -11.348 -2.723 -4.878 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.262 -1.790 -5.352 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.030 -2.624 -5.305 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.875 -0.791 -6.225 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.634 -1.626 -6.176 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.560 -0.714 -6.633 1.00 0.00 C ATOM 722 OH TYR A 48 -10.171 0.281 -7.502 1.00 0.00 O ATOM 0 H TYR A 48 -12.876 -5.131 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.772 -3.133 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.105 -4.666 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.773 -4.157 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.292 -1.846 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.302 -3.339 -4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.598 -0.075 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.605 -1.562 -6.496 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.213 0.196 -7.689 1.00 0.00 H new ATOM 732 N LYS A 49 -13.892 -2.334 -1.853 1.00 0.00 N ATOM 733 CA LYS A 49 -14.823 -1.231 -1.651 1.00 0.00 C ATOM 734 C LYS A 49 -14.357 -0.329 -0.512 1.00 0.00 C ATOM 735 O LYS A 49 -14.663 0.864 -0.488 1.00 0.00 O ATOM 736 CB LYS A 49 -16.224 -1.766 -1.350 1.00 0.00 C ATOM 737 CG LYS A 49 -17.211 -1.559 -2.485 1.00 0.00 C ATOM 738 CD LYS A 49 -18.186 -2.720 -2.596 1.00 0.00 C ATOM 739 CE LYS A 49 -18.451 -3.087 -4.048 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.381 -2.126 -4.703 1.00 0.00 N ATOM 0 H LYS A 49 -14.273 -3.253 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.855 -0.643 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.157 -2.831 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.606 -1.277 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.763 -0.633 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.669 -1.447 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.785 -3.585 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.125 -2.456 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.508 -3.110 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.872 -4.091 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.536 -2.411 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.290 -2.123 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.968 -1.172 -4.679 1.00 0.00 H new ATOM 754 N TYR A 50 -13.617 -0.904 0.429 1.00 0.00 N ATOM 755 CA TYR A 50 -13.110 -0.152 1.570 1.00 0.00 C ATOM 756 C TYR A 50 -11.883 0.668 1.182 1.00 0.00 C ATOM 757 O TYR A 50 -11.850 1.883 1.369 1.00 0.00 O ATOM 758 CB TYR A 50 -12.761 -1.101 2.718 1.00 0.00 C ATOM 759 CG TYR A 50 -13.966 -1.579 3.496 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.140 -1.937 2.845 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.931 -1.670 4.883 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.244 -2.375 3.552 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.029 -2.108 5.596 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.183 -2.458 4.928 1.00 0.00 C ATOM 765 OH TYR A 50 -17.280 -2.892 5.636 1.00 0.00 O ATOM 0 H TYR A 50 -13.355 -1.890 0.424 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.892 0.533 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.232 -1.965 2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.076 -0.597 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.191 -1.872 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.030 -1.394 5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.149 -2.651 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.984 -2.176 6.673 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.072 -2.893 6.594 1.00 0.00 H new ATOM 775 N TYR A 51 -10.877 -0.008 0.638 1.00 0.00 N ATOM 776 CA TYR A 51 -9.646 0.655 0.223 1.00 0.00 C ATOM 777 C TYR A 51 -9.950 1.907 -0.594 1.00 0.00 C ATOM 778 O TYR A 51 -9.211 2.889 -0.545 1.00 0.00 O ATOM 779 CB TYR A 51 -8.776 -0.302 -0.593 1.00 0.00 C ATOM 780 CG TYR A 51 -7.517 0.336 -1.134 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.430 0.587 -0.305 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.414 0.688 -2.474 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.278 1.171 -0.794 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.265 1.272 -2.973 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.200 1.511 -2.129 1.00 0.00 C ATOM 786 OH TYR A 51 -4.054 2.093 -2.622 1.00 0.00 O ATOM 0 H TYR A 51 -10.890 -1.015 0.474 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.103 0.952 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.503 -1.153 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.362 -0.692 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.487 0.321 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.246 0.502 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.443 1.360 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.201 1.540 -4.017 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.162 2.269 -3.580 1.00 0.00 H new ATOM 796 N LYS A 52 -11.045 1.862 -1.346 1.00 0.00 N ATOM 797 CA LYS A 52 -11.451 2.991 -2.174 1.00 0.00 C ATOM 798 C LYS A 52 -12.363 3.935 -1.397 1.00 0.00 C ATOM 799 O LYS A 52 -12.323 5.151 -1.589 1.00 0.00 O ATOM 800 CB LYS A 52 -12.166 2.495 -3.433 1.00 0.00 C ATOM 801 CG LYS A 52 -11.228 1.911 -4.475 1.00 0.00 C ATOM 802 CD LYS A 52 -10.391 2.990 -5.140 1.00 0.00 C ATOM 803 CE LYS A 52 -11.138 3.643 -6.293 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.937 4.816 -5.843 1.00 0.00 N ATOM 0 H LYS A 52 -11.667 1.055 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.554 3.538 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.898 1.738 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.718 3.323 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.572 1.178 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.807 1.381 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.121 3.748 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.461 2.556 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.425 3.960 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.798 2.911 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.695 5.644 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.950 4.606 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.724 5.019 -4.845 1.00 0.00 H new ATOM 818 N LEU A 53 -13.184 3.369 -0.520 1.00 0.00 N ATOM 819 CA LEU A 53 -14.105 4.160 0.288 1.00 0.00 C ATOM 820 C LEU A 53 -13.391 4.770 1.489 1.00 0.00 C ATOM 821 O LEU A 53 -13.216 5.985 1.571 1.00 0.00 O ATOM 822 CB LEU A 53 -15.274 3.293 0.760 1.00 0.00 C ATOM 823 CG LEU A 53 -16.138 3.882 1.876 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.600 3.476 3.239 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.204 5.398 1.757 1.00 0.00 C ATOM 0 H LEU A 53 -13.231 2.364 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.489 4.970 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.915 3.084 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.877 2.337 1.101 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.148 3.485 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.228 3.905 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.606 2.389 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.580 3.843 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.823 5.799 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.199 5.813 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.637 5.669 0.794 1.00 0.00 H new ATOM 837 N LYS A 54 -12.979 3.917 2.422 1.00 0.00 N ATOM 838 CA LYS A 54 -12.279 4.369 3.618 1.00 0.00 C ATOM 839 C LYS A 54 -11.184 5.370 3.262 1.00 0.00 C ATOM 840 O LYS A 54 -10.846 6.244 4.061 1.00 0.00 O ATOM 841 CB LYS A 54 -11.673 3.176 4.361 1.00 0.00 C ATOM 842 CG LYS A 54 -11.634 3.355 5.869 1.00 0.00 C ATOM 843 CD LYS A 54 -12.922 2.880 6.520 1.00 0.00 C ATOM 844 CE LYS A 54 -12.963 3.235 7.998 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.973 2.425 8.735 1.00 0.00 N ATOM 0 H LYS A 54 -13.118 2.908 2.372 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.002 4.864 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.248 2.281 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.659 3.009 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.791 2.800 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.471 4.406 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.775 3.331 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.014 1.800 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.978 3.075 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.194 4.294 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.970 2.697 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.916 2.597 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.738 1.415 8.649 1.00 0.00 H new ATOM 859 N LEU A 55 -10.635 5.237 2.061 1.00 0.00 N ATOM 860 CA LEU A 55 -9.580 6.132 1.599 1.00 0.00 C ATOM 861 C LEU A 55 -10.149 7.494 1.214 1.00 0.00 C ATOM 862 O LEU A 55 -9.613 8.532 1.597 1.00 0.00 O ATOM 863 CB LEU A 55 -8.850 5.516 0.404 1.00 0.00 C ATOM 864 CG LEU A 55 -7.665 6.315 -0.143 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.587 6.466 0.920 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.100 5.646 -1.387 1.00 0.00 C ATOM 0 H LEU A 55 -10.902 4.518 1.389 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.873 6.273 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.494 4.527 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.570 5.374 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.017 7.309 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.752 7.037 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.998 6.989 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.237 5.480 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.258 6.228 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.763 4.640 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.873 5.591 -2.153 1.00 0.00 H new ATOM 878 N ALA A 56 -11.241 7.480 0.457 1.00 0.00 N ATOM 879 CA ALA A 56 -11.887 8.714 0.026 1.00 0.00 C ATOM 880 C ALA A 56 -12.362 9.532 1.220 1.00 0.00 C ATOM 881 O ALA A 56 -12.105 10.733 1.303 1.00 0.00 O ATOM 882 CB ALA A 56 -13.052 8.403 -0.902 1.00 0.00 C ATOM 0 H ALA A 56 -11.697 6.628 0.130 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.153 9.309 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.525 9.333 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.686 7.868 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.780 7.785 -0.377 1.00 0.00 H new ATOM 888 N GLU A 57 -13.057 8.875 2.144 1.00 0.00 N ATOM 889 CA GLU A 57 -13.569 9.543 3.334 1.00 0.00 C ATOM 890 C GLU A 57 -12.427 9.986 4.244 1.00 0.00 C ATOM 891 O GLU A 57 -12.510 11.022 4.903 1.00 0.00 O ATOM 892 CB GLU A 57 -14.516 8.616 4.099 1.00 0.00 C ATOM 893 CG GLU A 57 -13.844 7.357 4.622 1.00 0.00 C ATOM 894 CD GLU A 57 -14.629 6.700 5.740 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.612 5.991 5.439 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.259 6.893 6.917 1.00 0.00 O ATOM 0 H GLU A 57 -13.278 7.881 2.091 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.119 10.428 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.947 9.163 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.341 8.333 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.722 6.648 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.845 7.605 4.981 1.00 0.00 H new ATOM 903 N MET A 58 -11.361 9.192 4.275 1.00 0.00 N ATOM 904 CA MET A 58 -10.202 9.502 5.103 1.00 0.00 C ATOM 905 C MET A 58 -9.376 10.625 4.484 1.00 0.00 C ATOM 906 O MET A 58 -8.748 11.410 5.194 1.00 0.00 O ATOM 907 CB MET A 58 -9.332 8.257 5.287 1.00 0.00 C ATOM 908 CG MET A 58 -9.901 7.262 6.287 1.00 0.00 C ATOM 909 SD MET A 58 -9.567 7.730 7.996 1.00 0.00 S ATOM 910 CE MET A 58 -7.905 7.096 8.203 1.00 0.00 C ATOM 0 H MET A 58 -11.276 8.330 3.736 1.00 0.00 H new ATOM 0 HA MET A 58 -10.562 9.833 6.077 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.211 7.762 4.323 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.339 8.563 5.616 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.978 7.180 6.140 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.477 6.276 6.095 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.538 7.356 9.196 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.913 6.012 8.091 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.252 7.534 7.448 1.00 0.00 H new ATOM 920 N GLN A 59 -9.382 10.696 3.157 1.00 0.00 N ATOM 921 CA GLN A 59 -8.632 11.724 2.444 1.00 0.00 C ATOM 922 C GLN A 59 -9.335 13.074 2.537 1.00 0.00 C ATOM 923 O GLN A 59 -8.692 14.107 2.726 1.00 0.00 O ATOM 924 CB GLN A 59 -8.453 11.329 0.977 1.00 0.00 C ATOM 925 CG GLN A 59 -7.179 10.543 0.709 1.00 0.00 C ATOM 926 CD GLN A 59 -6.577 10.852 -0.647 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.598 11.996 -1.103 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.034 9.831 -1.301 1.00 0.00 N ATOM 0 H GLN A 59 -9.897 10.055 2.554 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.651 11.813 2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.310 10.734 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.449 12.231 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.448 10.767 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.395 9.476 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.038 8.899 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.613 9.979 -2.218 1.00 0.00 H new