USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -66:sc= -0.0663 USER MOD Set 1.2: A 32 MET CE :methyl -125:sc= -0.31 (180deg=-1.54) USER MOD Set 2.1: A 16 GLN : amide:sc= -7.16! C(o=-13!,f=-9.4!) USER MOD Set 2.2: A 60 CYS SG : rot -170:sc= -5.95! USER MOD Single : A 13 THR OG1 : rot -24:sc= 0.214 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.46! K(o=-3.5!,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 136:sc= 1.21 (180deg=-0.604) USER MOD Single : A 29 SER OG : rot -100:sc= -3.01! USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0604) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.6! K(o=-3.6!,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-7.9!) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -1.18 (180deg=-3.34!) USER MOD Single : A 65 SER OG : rot -67:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-0.483) USER MOD Single : A 74 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.325 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.823 -6.937 -6.653 1.00 0.00 N ATOM 130 CA THR A 13 -17.467 -7.515 -7.943 1.00 0.00 C ATOM 131 C THR A 13 -16.373 -8.565 -7.791 1.00 0.00 C ATOM 132 O THR A 13 -15.749 -8.680 -6.736 1.00 0.00 O ATOM 133 CB THR A 13 -16.991 -6.433 -8.931 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.054 -5.561 -8.289 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.168 -5.624 -9.455 1.00 0.00 C ATOM 0 HA THR A 13 -18.367 -7.986 -8.338 1.00 0.00 H new ATOM 0 HB THR A 13 -16.507 -6.928 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.204 -5.576 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.808 -4.866 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.865 -6.286 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.676 -5.139 -8.621 1.00 0.00 H new ATOM 143 N LYS A 14 -16.143 -9.330 -8.853 1.00 0.00 N ATOM 144 CA LYS A 14 -15.122 -10.371 -8.840 1.00 0.00 C ATOM 145 C LYS A 14 -13.775 -9.807 -8.399 1.00 0.00 C ATOM 146 O LYS A 14 -13.167 -10.300 -7.449 1.00 0.00 O ATOM 147 CB LYS A 14 -14.992 -11.004 -10.227 1.00 0.00 C ATOM 148 CG LYS A 14 -15.983 -12.127 -10.479 1.00 0.00 C ATOM 149 CD LYS A 14 -17.394 -11.594 -10.666 1.00 0.00 C ATOM 150 CE LYS A 14 -18.397 -12.723 -10.848 1.00 0.00 C ATOM 151 NZ LYS A 14 -18.350 -13.290 -12.224 1.00 0.00 N ATOM 0 H LYS A 14 -16.650 -9.248 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.428 -11.135 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.131 -10.232 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.980 -11.390 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.684 -12.686 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.965 -12.825 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.674 -10.993 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.423 -10.936 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.192 -13.511 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.401 -12.353 -10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.048 -14.056 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.570 -12.544 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.399 -13.666 -12.412 1.00 0.00 H new ATOM 165 N GLU A 15 -13.316 -8.771 -9.094 1.00 0.00 N ATOM 166 CA GLU A 15 -12.042 -8.140 -8.772 1.00 0.00 C ATOM 167 C GLU A 15 -11.857 -8.028 -7.261 1.00 0.00 C ATOM 168 O GLU A 15 -10.976 -8.666 -6.685 1.00 0.00 O ATOM 169 CB GLU A 15 -11.957 -6.753 -9.412 1.00 0.00 C ATOM 170 CG GLU A 15 -10.545 -6.344 -9.794 1.00 0.00 C ATOM 171 CD GLU A 15 -10.342 -4.841 -9.755 1.00 0.00 C ATOM 172 OE1 GLU A 15 -10.764 -4.160 -10.712 1.00 0.00 O ATOM 173 OE2 GLU A 15 -9.761 -4.347 -8.766 1.00 0.00 O ATOM 0 H GLU A 15 -13.807 -8.351 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.245 -8.766 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.585 -6.734 -10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.364 -6.017 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.837 -6.820 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.323 -6.711 -10.796 1.00 0.00 H new ATOM 180 N GLN A 16 -12.692 -7.211 -6.628 1.00 0.00 N ATOM 181 CA GLN A 16 -12.620 -7.013 -5.185 1.00 0.00 C ATOM 182 C GLN A 16 -12.432 -8.343 -4.463 1.00 0.00 C ATOM 183 O GLN A 16 -11.404 -8.576 -3.828 1.00 0.00 O ATOM 184 CB GLN A 16 -13.886 -6.319 -4.680 1.00 0.00 C ATOM 185 CG GLN A 16 -14.123 -4.955 -5.308 1.00 0.00 C ATOM 186 CD GLN A 16 -15.272 -4.207 -4.660 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.414 -4.666 -4.676 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.975 -3.047 -4.087 1.00 0.00 N ATOM 0 H GLN A 16 -13.426 -6.675 -7.091 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.759 -6.380 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.746 -6.957 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.821 -6.205 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.214 -4.359 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.329 -5.079 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.014 -2.704 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.707 -2.498 -3.636 1.00 0.00 H new ATOM 197 N ALA A 17 -13.433 -9.212 -4.563 1.00 0.00 N ATOM 198 CA ALA A 17 -13.377 -10.519 -3.920 1.00 0.00 C ATOM 199 C ALA A 17 -12.024 -11.184 -4.145 1.00 0.00 C ATOM 200 O ALA A 17 -11.424 -11.723 -3.215 1.00 0.00 O ATOM 201 CB ALA A 17 -14.498 -11.409 -4.436 1.00 0.00 C ATOM 0 H ALA A 17 -14.292 -9.034 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.507 -10.375 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.444 -12.382 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.460 -10.946 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.394 -11.538 -5.513 1.00 0.00 H new ATOM 207 N ASP A 18 -11.549 -11.144 -5.386 1.00 0.00 N ATOM 208 CA ASP A 18 -10.266 -11.743 -5.733 1.00 0.00 C ATOM 209 C ASP A 18 -9.124 -11.043 -5.003 1.00 0.00 C ATOM 210 O ASP A 18 -8.079 -11.641 -4.746 1.00 0.00 O ATOM 211 CB ASP A 18 -10.039 -11.674 -7.244 1.00 0.00 C ATOM 212 CG ASP A 18 -10.808 -12.744 -7.994 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.923 -13.093 -7.553 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.295 -13.231 -9.023 1.00 0.00 O ATOM 0 H ASP A 18 -12.034 -10.703 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.285 -12.788 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.339 -10.692 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.975 -11.781 -7.454 1.00 0.00 H new ATOM 219 N ALA A 19 -9.331 -9.772 -4.671 1.00 0.00 N ATOM 220 CA ALA A 19 -8.319 -8.992 -3.970 1.00 0.00 C ATOM 221 C ALA A 19 -8.192 -9.437 -2.517 1.00 0.00 C ATOM 222 O ALA A 19 -7.092 -9.706 -2.035 1.00 0.00 O ATOM 223 CB ALA A 19 -8.653 -7.509 -4.042 1.00 0.00 C ATOM 0 H ALA A 19 -10.190 -9.262 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.360 -9.162 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.889 -6.938 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.686 -7.194 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.623 -7.332 -3.578 1.00 0.00 H new ATOM 229 N ILE A 20 -9.324 -9.512 -1.825 1.00 0.00 N ATOM 230 CA ILE A 20 -9.338 -9.925 -0.427 1.00 0.00 C ATOM 231 C ILE A 20 -8.871 -11.368 -0.276 1.00 0.00 C ATOM 232 O ILE A 20 -8.057 -11.680 0.593 1.00 0.00 O ATOM 233 CB ILE A 20 -10.743 -9.784 0.187 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.182 -8.318 0.183 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.761 -10.344 1.602 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.934 -7.917 -1.066 1.00 0.00 C ATOM 0 H ILE A 20 -10.243 -9.292 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.651 -9.266 0.104 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.447 -10.355 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.813 -8.134 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.302 -7.683 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.761 -10.237 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.488 -11.399 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.047 -9.797 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.214 -6.866 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.298 -8.069 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.833 -8.527 -1.161 1.00 0.00 H new ATOM 248 N ARG A 21 -9.391 -12.245 -1.128 1.00 0.00 N ATOM 249 CA ARG A 21 -9.027 -13.656 -1.090 1.00 0.00 C ATOM 250 C ARG A 21 -7.524 -13.835 -1.281 1.00 0.00 C ATOM 251 O ARG A 21 -6.913 -14.719 -0.680 1.00 0.00 O ATOM 252 CB ARG A 21 -9.785 -14.430 -2.171 1.00 0.00 C ATOM 253 CG ARG A 21 -9.139 -14.348 -3.544 1.00 0.00 C ATOM 254 CD ARG A 21 -8.178 -15.502 -3.778 1.00 0.00 C ATOM 255 NE ARG A 21 -8.793 -16.794 -3.487 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.588 -17.438 -4.336 1.00 0.00 C ATOM 257 NH1 ARG A 21 -9.861 -16.912 -5.522 1.00 0.00 N ATOM 258 NH2 ARG A 21 -10.110 -18.610 -3.998 1.00 0.00 N ATOM 0 H ARG A 21 -10.066 -12.003 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.301 -14.050 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.856 -15.476 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.803 -14.046 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.912 -14.356 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.604 -13.403 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.839 -15.487 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.295 -15.371 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.602 -17.226 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.461 -16.011 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.471 -17.408 -6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.901 -19.017 -3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.720 -19.104 -4.650 1.00 0.00 H new ATOM 272 N ARG A 22 -6.934 -12.991 -2.121 1.00 0.00 N ATOM 273 CA ARG A 22 -5.503 -13.058 -2.392 1.00 0.00 C ATOM 274 C ARG A 22 -4.699 -12.585 -1.185 1.00 0.00 C ATOM 275 O ARG A 22 -3.671 -13.171 -0.844 1.00 0.00 O ATOM 276 CB ARG A 22 -5.155 -12.208 -3.616 1.00 0.00 C ATOM 277 CG ARG A 22 -5.494 -12.876 -4.938 1.00 0.00 C ATOM 278 CD ARG A 22 -4.522 -14.000 -5.261 1.00 0.00 C ATOM 279 NE ARG A 22 -5.131 -15.027 -6.101 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.498 -14.824 -7.361 1.00 0.00 C ATOM 281 NH1 ARG A 22 -5.317 -13.637 -7.924 1.00 0.00 N ATOM 282 NH2 ARG A 22 -6.046 -15.809 -8.061 1.00 0.00 N ATOM 0 H ARG A 22 -7.425 -12.253 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.244 -14.097 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.687 -11.259 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.090 -11.979 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.509 -13.272 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.473 -12.135 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.648 -13.589 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.170 -14.452 -4.334 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.283 -15.952 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.895 -12.878 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.600 -13.483 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.186 -16.723 -7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.327 -15.652 -9.029 1.00 0.00 H new ATOM 296 N ILE A 23 -5.173 -11.522 -0.544 1.00 0.00 N ATOM 297 CA ILE A 23 -4.498 -10.971 0.624 1.00 0.00 C ATOM 298 C ILE A 23 -4.443 -11.989 1.758 1.00 0.00 C ATOM 299 O ILE A 23 -3.461 -12.057 2.498 1.00 0.00 O ATOM 300 CB ILE A 23 -5.198 -9.695 1.129 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.049 -8.567 0.107 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.627 -9.276 2.476 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.755 -7.291 0.509 1.00 0.00 C ATOM 0 H ILE A 23 -6.022 -11.025 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.484 -10.721 0.313 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.260 -9.906 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.989 -8.356 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.441 -8.903 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.131 -8.373 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.780 -10.076 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.560 -9.079 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.607 -6.535 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.821 -7.486 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.347 -6.931 1.453 1.00 0.00 H new ATOM 315 N ARG A 24 -5.502 -12.781 1.887 1.00 0.00 N ATOM 316 CA ARG A 24 -5.574 -13.798 2.930 1.00 0.00 C ATOM 317 C ARG A 24 -4.886 -15.085 2.483 1.00 0.00 C ATOM 318 O ARG A 24 -4.430 -15.875 3.308 1.00 0.00 O ATOM 319 CB ARG A 24 -7.032 -14.085 3.292 1.00 0.00 C ATOM 320 CG ARG A 24 -7.861 -14.593 2.123 1.00 0.00 C ATOM 321 CD ARG A 24 -9.350 -14.518 2.423 1.00 0.00 C ATOM 322 NE ARG A 24 -10.116 -15.481 1.635 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.184 -16.776 1.922 1.00 0.00 C ATOM 324 NH1 ARG A 24 -9.536 -17.261 2.972 1.00 0.00 N ATOM 325 NH2 ARG A 24 -10.901 -17.589 1.157 1.00 0.00 N ATOM 0 H ARG A 24 -6.322 -12.738 1.282 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.057 -13.417 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.060 -14.823 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.487 -13.174 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.638 -14.004 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.585 -15.624 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.516 -14.704 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.711 -13.511 2.216 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.626 -15.140 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.983 -16.639 3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.590 -18.256 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.400 -17.220 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.953 -18.583 1.378 1.00 0.00 H new ATOM 339 N ASN A 25 -4.816 -15.287 1.172 1.00 0.00 N ATOM 340 CA ASN A 25 -4.185 -16.479 0.615 1.00 0.00 C ATOM 341 C ASN A 25 -2.782 -16.164 0.106 1.00 0.00 C ATOM 342 O ASN A 25 -2.204 -16.929 -0.665 1.00 0.00 O ATOM 343 CB ASN A 25 -5.036 -17.048 -0.522 1.00 0.00 C ATOM 344 CG ASN A 25 -6.394 -17.525 -0.044 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.495 -18.284 0.920 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.448 -17.079 -0.718 1.00 0.00 N ATOM 0 H ASN A 25 -5.188 -14.642 0.475 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.106 -17.222 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.171 -16.285 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.506 -17.878 -0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.388 -17.364 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.318 -16.451 -1.511 1.00 0.00 H new ATOM 353 N SER A 26 -2.240 -15.032 0.544 1.00 0.00 N ATOM 354 CA SER A 26 -0.905 -14.613 0.130 1.00 0.00 C ATOM 355 C SER A 26 0.150 -15.118 1.109 1.00 0.00 C ATOM 356 O SER A 26 -0.142 -15.377 2.277 1.00 0.00 O ATOM 357 CB SER A 26 -0.835 -13.089 0.028 1.00 0.00 C ATOM 358 OG SER A 26 -1.274 -12.476 1.228 1.00 0.00 O ATOM 0 H SER A 26 -2.704 -14.389 1.185 1.00 0.00 H new ATOM 0 HA SER A 26 -0.703 -15.045 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.189 -12.783 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.451 -12.749 -0.804 1.00 0.00 H new ATOM 0 HG SER A 26 -2.228 -12.659 1.359 1.00 0.00 H new ATOM 364 N LYS A 27 1.380 -15.256 0.625 1.00 0.00 N ATOM 365 CA LYS A 27 2.481 -15.728 1.455 1.00 0.00 C ATOM 366 C LYS A 27 3.427 -14.584 1.808 1.00 0.00 C ATOM 367 O LYS A 27 4.270 -14.715 2.695 1.00 0.00 O ATOM 368 CB LYS A 27 3.252 -16.837 0.734 1.00 0.00 C ATOM 369 CG LYS A 27 2.370 -17.737 -0.114 1.00 0.00 C ATOM 370 CD LYS A 27 1.776 -18.869 0.706 1.00 0.00 C ATOM 371 CE LYS A 27 0.444 -18.471 1.323 1.00 0.00 C ATOM 372 NZ LYS A 27 -0.701 -18.790 0.426 1.00 0.00 N ATOM 0 H LYS A 27 1.639 -15.047 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 27 2.061 -16.127 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.013 -16.385 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.774 -17.445 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.567 -17.148 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.954 -18.150 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.637 -19.745 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.473 -19.153 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.315 -18.988 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.449 -17.403 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.467 -19.221 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.046 -17.916 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.390 -19.456 -0.310 1.00 0.00 H new ATOM 386 N ASP A 28 3.279 -13.464 1.109 1.00 0.00 N ATOM 387 CA ASP A 28 4.118 -12.296 1.350 1.00 0.00 C ATOM 388 C ASP A 28 3.434 -11.025 0.857 1.00 0.00 C ATOM 389 O ASP A 28 2.385 -11.081 0.215 1.00 0.00 O ATOM 390 CB ASP A 28 5.472 -12.463 0.658 1.00 0.00 C ATOM 391 CG ASP A 28 6.416 -13.355 1.441 1.00 0.00 C ATOM 392 OD1 ASP A 28 7.156 -12.828 2.299 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.414 -14.579 1.197 1.00 0.00 O ATOM 0 H ASP A 28 2.586 -13.340 0.371 1.00 0.00 H new ATOM 0 HA ASP A 28 4.276 -12.208 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.319 -12.884 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.931 -11.484 0.522 1.00 0.00 H new ATOM 398 N SER A 29 4.036 -9.879 1.161 1.00 0.00 N ATOM 399 CA SER A 29 3.482 -8.593 0.753 1.00 0.00 C ATOM 400 C SER A 29 3.486 -8.458 -0.766 1.00 0.00 C ATOM 401 O SER A 29 2.541 -7.934 -1.356 1.00 0.00 O ATOM 402 CB SER A 29 4.280 -7.449 1.381 1.00 0.00 C ATOM 403 OG SER A 29 5.650 -7.527 1.027 1.00 0.00 O ATOM 0 H SER A 29 4.907 -9.815 1.688 1.00 0.00 H new ATOM 0 HA SER A 29 2.451 -8.541 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.871 -6.493 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.179 -7.484 2.466 1.00 0.00 H new ATOM 0 HG SER A 29 6.156 -7.926 1.765 1.00 0.00 H new ATOM 409 N TRP A 30 4.556 -8.933 -1.393 1.00 0.00 N ATOM 410 CA TRP A 30 4.684 -8.866 -2.845 1.00 0.00 C ATOM 411 C TRP A 30 3.414 -9.363 -3.527 1.00 0.00 C ATOM 412 O TRP A 30 3.003 -8.829 -4.557 1.00 0.00 O ATOM 413 CB TRP A 30 5.884 -9.691 -3.310 1.00 0.00 C ATOM 414 CG TRP A 30 7.119 -9.457 -2.493 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.880 -10.404 -1.868 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.734 -8.195 -2.211 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.930 -9.806 -1.215 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.864 -8.452 -1.411 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.441 -6.874 -2.559 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.698 -7.435 -0.953 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.269 -5.866 -2.104 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.387 -6.151 -1.308 1.00 0.00 C ATOM 0 H TRP A 30 5.347 -9.369 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 30 4.839 -7.824 -3.124 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.626 -10.749 -3.270 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.097 -9.454 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.685 -11.466 -1.885 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.644 -10.292 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.582 -6.645 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.560 -7.652 -0.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.051 -4.841 -2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.015 -5.341 -0.968 1.00 0.00 H new ATOM 433 N ASP A 31 2.798 -10.386 -2.946 1.00 0.00 N ATOM 434 CA ASP A 31 1.573 -10.954 -3.498 1.00 0.00 C ATOM 435 C ASP A 31 0.383 -10.035 -3.239 1.00 0.00 C ATOM 436 O ASP A 31 -0.425 -9.783 -4.133 1.00 0.00 O ATOM 437 CB ASP A 31 1.309 -12.334 -2.895 1.00 0.00 C ATOM 438 CG ASP A 31 0.551 -13.244 -3.842 1.00 0.00 C ATOM 439 OD1 ASP A 31 0.853 -13.224 -5.054 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.344 -13.977 -3.371 1.00 0.00 O ATOM 0 H ASP A 31 3.126 -10.839 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 31 1.702 -11.056 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.258 -12.799 -2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.741 -12.221 -1.972 1.00 0.00 H new ATOM 445 N MET A 32 0.281 -9.540 -2.010 1.00 0.00 N ATOM 446 CA MET A 32 -0.811 -8.650 -1.633 1.00 0.00 C ATOM 447 C MET A 32 -0.843 -7.418 -2.533 1.00 0.00 C ATOM 448 O MET A 32 -1.784 -7.223 -3.303 1.00 0.00 O ATOM 449 CB MET A 32 -0.669 -8.224 -0.171 1.00 0.00 C ATOM 450 CG MET A 32 -1.281 -9.210 0.811 1.00 0.00 C ATOM 451 SD MET A 32 -0.756 -8.914 2.511 1.00 0.00 S ATOM 452 CE MET A 32 0.490 -10.186 2.706 1.00 0.00 C ATOM 0 H MET A 32 0.941 -9.740 -1.258 1.00 0.00 H new ATOM 0 HA MET A 32 -1.748 -9.193 -1.756 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.389 -8.101 0.062 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.140 -7.250 -0.037 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.368 -9.146 0.754 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.005 -10.224 0.521 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.250 -10.800 3.574 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.514 -10.812 1.814 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.465 -9.721 2.849 1.00 0.00 H new ATOM 462 N LEU A 33 0.191 -6.589 -2.430 1.00 0.00 N ATOM 463 CA LEU A 33 0.281 -5.376 -3.234 1.00 0.00 C ATOM 464 C LEU A 33 0.428 -5.713 -4.714 1.00 0.00 C ATOM 465 O LEU A 33 0.003 -4.950 -5.581 1.00 0.00 O ATOM 466 CB LEU A 33 1.464 -4.522 -2.774 1.00 0.00 C ATOM 467 CG LEU A 33 1.544 -4.240 -1.273 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.860 -3.560 -0.928 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.367 -3.385 -0.828 1.00 0.00 C ATOM 0 H LEU A 33 0.978 -6.735 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.641 -4.811 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.385 -5.018 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.425 -3.569 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 33 1.499 -5.190 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.900 -3.367 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.690 -4.208 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.935 -2.617 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.440 -3.194 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.381 -2.438 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.565 -3.910 -1.040 1.00 0.00 H new ATOM 481 N GLY A 34 1.032 -6.864 -4.997 1.00 0.00 N ATOM 482 CA GLY A 34 1.222 -7.283 -6.373 1.00 0.00 C ATOM 483 C GLY A 34 2.417 -6.614 -7.023 1.00 0.00 C ATOM 484 O GLY A 34 2.330 -6.133 -8.153 1.00 0.00 O ATOM 0 H GLY A 34 1.393 -7.513 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.353 -8.365 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.324 -7.053 -6.947 1.00 0.00 H new ATOM 488 N VAL A 35 3.537 -6.581 -6.307 1.00 0.00 N ATOM 489 CA VAL A 35 4.754 -5.965 -6.821 1.00 0.00 C ATOM 490 C VAL A 35 5.973 -6.835 -6.534 1.00 0.00 C ATOM 491 O VAL A 35 5.968 -7.645 -5.607 1.00 0.00 O ATOM 492 CB VAL A 35 4.978 -4.569 -6.210 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.036 -3.554 -6.838 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.797 -4.614 -4.700 1.00 0.00 C ATOM 0 H VAL A 35 3.626 -6.974 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 35 4.628 -5.865 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 35 6.001 -4.258 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.209 -2.574 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.219 -3.503 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.004 -3.856 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.959 -3.619 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.786 -4.946 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.517 -5.309 -4.268 1.00 0.00 H new ATOM 504 N LYS A 36 7.019 -6.662 -7.336 1.00 0.00 N ATOM 505 CA LYS A 36 8.247 -7.429 -7.168 1.00 0.00 C ATOM 506 C LYS A 36 8.966 -7.032 -5.883 1.00 0.00 C ATOM 507 O LYS A 36 8.829 -5.913 -5.388 1.00 0.00 O ATOM 508 CB LYS A 36 9.172 -7.218 -8.369 1.00 0.00 C ATOM 509 CG LYS A 36 9.888 -5.878 -8.357 1.00 0.00 C ATOM 510 CD LYS A 36 9.169 -4.855 -9.219 1.00 0.00 C ATOM 511 CE LYS A 36 9.333 -5.159 -10.700 1.00 0.00 C ATOM 512 NZ LYS A 36 10.706 -4.843 -11.182 1.00 0.00 N ATOM 0 H LYS A 36 7.040 -5.997 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 36 7.981 -8.484 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.914 -8.017 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.588 -7.300 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.956 -5.510 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.909 -6.006 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.109 -4.844 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.559 -3.860 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.118 -6.212 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.606 -4.583 -11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.731 -4.901 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.966 -3.882 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.380 -5.525 -10.781 1.00 0.00 H new ATOM 526 N PRO A 37 9.752 -7.967 -5.330 1.00 0.00 N ATOM 527 CA PRO A 37 10.509 -7.736 -4.096 1.00 0.00 C ATOM 528 C PRO A 37 11.656 -6.751 -4.296 1.00 0.00 C ATOM 529 O PRO A 37 12.427 -6.486 -3.375 1.00 0.00 O ATOM 530 CB PRO A 37 11.051 -9.125 -3.747 1.00 0.00 C ATOM 531 CG PRO A 37 11.111 -9.846 -5.050 1.00 0.00 C ATOM 532 CD PRO A 37 9.962 -9.323 -5.866 1.00 0.00 C ATOM 0 HA PRO A 37 9.890 -7.296 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.036 -9.061 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.399 -9.638 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.061 -9.665 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.028 -10.923 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.201 -9.302 -6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.073 -9.943 -5.751 1.00 0.00 H new ATOM 540 N GLY A 38 11.763 -6.211 -5.506 1.00 0.00 N ATOM 541 CA GLY A 38 12.818 -5.261 -5.804 1.00 0.00 C ATOM 542 C GLY A 38 12.279 -3.913 -6.239 1.00 0.00 C ATOM 543 O GLY A 38 12.921 -3.200 -7.010 1.00 0.00 O ATOM 0 H GLY A 38 11.137 -6.415 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.445 -5.131 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.455 -5.665 -6.591 1.00 0.00 H new ATOM 547 N ALA A 39 11.096 -3.564 -5.745 1.00 0.00 N ATOM 548 CA ALA A 39 10.471 -2.292 -6.087 1.00 0.00 C ATOM 549 C ALA A 39 10.867 -1.202 -5.098 1.00 0.00 C ATOM 550 O ALA A 39 11.585 -1.459 -4.131 1.00 0.00 O ATOM 551 CB ALA A 39 8.957 -2.443 -6.130 1.00 0.00 C ATOM 0 H ALA A 39 10.551 -4.144 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 39 10.825 -1.996 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.503 -1.486 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.687 -3.186 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.596 -2.766 -5.154 1.00 0.00 H new ATOM 557 N SER A 40 10.396 0.016 -5.346 1.00 0.00 N ATOM 558 CA SER A 40 10.706 1.147 -4.479 1.00 0.00 C ATOM 559 C SER A 40 9.429 1.800 -3.960 1.00 0.00 C ATOM 560 O SER A 40 8.323 1.417 -4.343 1.00 0.00 O ATOM 561 CB SER A 40 11.550 2.178 -5.231 1.00 0.00 C ATOM 562 OG SER A 40 12.934 1.929 -5.058 1.00 0.00 O ATOM 0 H SER A 40 9.798 0.245 -6.140 1.00 0.00 H new ATOM 0 HA SER A 40 11.275 0.774 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.302 2.151 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.310 3.179 -4.873 1.00 0.00 H new ATOM 0 HG SER A 40 13.451 2.601 -5.550 1.00 0.00 H new ATOM 568 N ARG A 41 9.589 2.787 -3.085 1.00 0.00 N ATOM 569 CA ARG A 41 8.450 3.493 -2.512 1.00 0.00 C ATOM 570 C ARG A 41 7.435 3.855 -3.592 1.00 0.00 C ATOM 571 O ARG A 41 6.275 3.449 -3.529 1.00 0.00 O ATOM 572 CB ARG A 41 8.917 4.759 -1.790 1.00 0.00 C ATOM 573 CG ARG A 41 7.792 5.524 -1.113 1.00 0.00 C ATOM 574 CD ARG A 41 7.709 5.196 0.369 1.00 0.00 C ATOM 575 NE ARG A 41 7.355 6.366 1.169 1.00 0.00 N ATOM 576 CZ ARG A 41 6.104 6.709 1.456 1.00 0.00 C ATOM 577 NH1 ARG A 41 5.093 5.975 1.011 1.00 0.00 N ATOM 578 NH2 ARG A 41 5.863 7.788 2.191 1.00 0.00 N ATOM 0 H ARG A 41 10.497 3.116 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 41 7.969 2.830 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.661 4.487 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.411 5.415 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.950 6.595 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.844 5.281 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.968 4.412 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.667 4.802 0.707 1.00 0.00 H new ATOM 0 HE ARG A 41 8.110 6.952 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.275 5.145 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.134 6.241 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.638 8.354 2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.902 8.051 2.411 1.00 0.00 H new ATOM 592 N ASP A 42 7.881 4.622 -4.581 1.00 0.00 N ATOM 593 CA ASP A 42 7.012 5.038 -5.676 1.00 0.00 C ATOM 594 C ASP A 42 6.193 3.862 -6.198 1.00 0.00 C ATOM 595 O ASP A 42 4.965 3.920 -6.240 1.00 0.00 O ATOM 596 CB ASP A 42 7.841 5.642 -6.811 1.00 0.00 C ATOM 597 CG ASP A 42 8.001 7.144 -6.676 1.00 0.00 C ATOM 598 OD1 ASP A 42 8.953 7.581 -5.995 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.174 7.882 -7.251 1.00 0.00 O ATOM 0 H ASP A 42 8.838 4.968 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 42 6.325 5.794 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.826 5.175 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.365 5.415 -7.765 1.00 0.00 H new ATOM 604 N GLU A 43 6.882 2.798 -6.596 1.00 0.00 N ATOM 605 CA GLU A 43 6.218 1.609 -7.117 1.00 0.00 C ATOM 606 C GLU A 43 5.229 1.048 -6.099 1.00 0.00 C ATOM 607 O GLU A 43 4.036 0.929 -6.376 1.00 0.00 O ATOM 608 CB GLU A 43 7.249 0.541 -7.485 1.00 0.00 C ATOM 609 CG GLU A 43 8.274 1.009 -8.505 1.00 0.00 C ATOM 610 CD GLU A 43 9.530 1.561 -7.859 1.00 0.00 C ATOM 611 OE1 GLU A 43 9.471 2.678 -7.304 1.00 0.00 O ATOM 612 OE2 GLU A 43 10.572 0.875 -7.909 1.00 0.00 O ATOM 0 H GLU A 43 7.900 2.735 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 43 5.667 1.895 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.768 0.222 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.730 -0.333 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.541 0.176 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.828 1.777 -9.137 1.00 0.00 H new ATOM 619 N VAL A 44 5.736 0.704 -4.919 1.00 0.00 N ATOM 620 CA VAL A 44 4.899 0.155 -3.858 1.00 0.00 C ATOM 621 C VAL A 44 3.621 0.970 -3.690 1.00 0.00 C ATOM 622 O VAL A 44 2.543 0.416 -3.481 1.00 0.00 O ATOM 623 CB VAL A 44 5.650 0.115 -2.514 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.729 -0.358 -1.401 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.878 -0.777 -2.617 1.00 0.00 C ATOM 0 H VAL A 44 6.722 0.796 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 44 4.642 -0.863 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 44 5.982 1.125 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.278 -0.380 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.884 0.325 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.364 -1.359 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.397 -0.794 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.571 -1.789 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.547 -0.388 -3.385 1.00 0.00 H new ATOM 635 N ASN A 45 3.751 2.289 -3.782 1.00 0.00 N ATOM 636 CA ASN A 45 2.606 3.182 -3.640 1.00 0.00 C ATOM 637 C ASN A 45 1.638 3.015 -4.808 1.00 0.00 C ATOM 638 O ASN A 45 0.425 2.928 -4.616 1.00 0.00 O ATOM 639 CB ASN A 45 3.074 4.636 -3.554 1.00 0.00 C ATOM 640 CG ASN A 45 3.523 5.017 -2.157 1.00 0.00 C ATOM 641 OD1 ASN A 45 2.818 4.772 -1.178 1.00 0.00 O ATOM 642 ND2 ASN A 45 4.701 5.621 -2.058 1.00 0.00 N ATOM 0 H ASN A 45 4.637 2.764 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 45 2.085 2.921 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.896 4.792 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.263 5.295 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.055 5.902 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.252 5.804 -2.896 1.00 0.00 H new ATOM 649 N LYS A 46 2.183 2.972 -6.019 1.00 0.00 N ATOM 650 CA LYS A 46 1.370 2.814 -7.219 1.00 0.00 C ATOM 651 C LYS A 46 0.452 1.602 -7.099 1.00 0.00 C ATOM 652 O LYS A 46 -0.715 1.654 -7.487 1.00 0.00 O ATOM 653 CB LYS A 46 2.266 2.669 -8.451 1.00 0.00 C ATOM 654 CG LYS A 46 1.493 2.517 -9.750 1.00 0.00 C ATOM 655 CD LYS A 46 1.224 3.864 -10.400 1.00 0.00 C ATOM 656 CE LYS A 46 -0.116 4.435 -9.963 1.00 0.00 C ATOM 657 NZ LYS A 46 -0.131 5.923 -10.026 1.00 0.00 N ATOM 0 H LYS A 46 3.185 3.044 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 46 0.752 3.705 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.914 3.542 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.913 1.802 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.056 1.886 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.548 2.011 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.020 4.561 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.238 3.755 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.906 4.036 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.334 4.112 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.061 6.274 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.606 6.304 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.052 6.231 -11.002 1.00 0.00 H new ATOM 671 N ALA A 47 0.987 0.512 -6.558 1.00 0.00 N ATOM 672 CA ALA A 47 0.214 -0.712 -6.383 1.00 0.00 C ATOM 673 C ALA A 47 -0.629 -0.652 -5.114 1.00 0.00 C ATOM 674 O ALA A 47 -1.785 -1.077 -5.104 1.00 0.00 O ATOM 675 CB ALA A 47 1.139 -1.919 -6.349 1.00 0.00 C ATOM 0 H ALA A 47 1.952 0.452 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.462 -0.810 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.549 -2.826 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.693 -1.979 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.838 -1.818 -5.519 1.00 0.00 H new ATOM 681 N TYR A 48 -0.044 -0.124 -4.045 1.00 0.00 N ATOM 682 CA TYR A 48 -0.741 -0.013 -2.769 1.00 0.00 C ATOM 683 C TYR A 48 -1.956 0.901 -2.890 1.00 0.00 C ATOM 684 O TYR A 48 -2.951 0.726 -2.187 1.00 0.00 O ATOM 685 CB TYR A 48 0.206 0.520 -1.692 1.00 0.00 C ATOM 686 CG TYR A 48 -0.489 1.333 -0.623 1.00 0.00 C ATOM 687 CD1 TYR A 48 -0.877 2.645 -0.863 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.759 0.788 0.626 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.511 3.392 0.111 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.394 1.527 1.606 1.00 0.00 C ATOM 691 CZ TYR A 48 -1.768 2.828 1.344 1.00 0.00 C ATOM 692 OH TYR A 48 -2.401 3.568 2.316 1.00 0.00 O ATOM 0 H TYR A 48 0.911 0.234 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.084 -1.007 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.718 -0.320 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.971 1.136 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.680 3.089 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.468 -0.231 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.804 4.412 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.596 1.088 2.572 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.507 3.024 3.124 1.00 0.00 H new ATOM 702 N ARG A 49 -1.868 1.877 -3.788 1.00 0.00 N ATOM 703 CA ARG A 49 -2.959 2.819 -4.003 1.00 0.00 C ATOM 704 C ARG A 49 -4.129 2.144 -4.711 1.00 0.00 C ATOM 705 O ARG A 49 -5.201 1.964 -4.131 1.00 0.00 O ATOM 706 CB ARG A 49 -2.474 4.016 -4.824 1.00 0.00 C ATOM 707 CG ARG A 49 -1.714 5.048 -4.006 1.00 0.00 C ATOM 708 CD ARG A 49 -1.344 6.261 -4.845 1.00 0.00 C ATOM 709 NE ARG A 49 -1.179 7.461 -4.029 1.00 0.00 N ATOM 710 CZ ARG A 49 -0.935 8.665 -4.534 1.00 0.00 C ATOM 711 NH1 ARG A 49 -0.828 8.828 -5.845 1.00 0.00 N ATOM 712 NH2 ARG A 49 -0.797 9.709 -3.726 1.00 0.00 N ATOM 0 H ARG A 49 -1.052 2.036 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.300 3.169 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.832 3.658 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.333 4.497 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.323 5.362 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.810 4.597 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.419 6.060 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.118 6.435 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.255 7.369 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.933 8.028 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.641 9.754 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.878 9.587 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.610 10.633 -4.114 1.00 0.00 H new ATOM 726 N LYS A 50 -3.918 1.772 -5.969 1.00 0.00 N ATOM 727 CA LYS A 50 -4.954 1.116 -6.758 1.00 0.00 C ATOM 728 C LYS A 50 -5.690 0.070 -5.927 1.00 0.00 C ATOM 729 O LYS A 50 -6.920 -0.003 -5.950 1.00 0.00 O ATOM 730 CB LYS A 50 -4.341 0.459 -7.997 1.00 0.00 C ATOM 731 CG LYS A 50 -3.701 1.447 -8.956 1.00 0.00 C ATOM 732 CD LYS A 50 -2.938 0.737 -10.062 1.00 0.00 C ATOM 733 CE LYS A 50 -2.070 1.705 -10.851 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.343 1.024 -11.958 1.00 0.00 N ATOM 0 H LYS A 50 -3.038 1.914 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.671 1.874 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.590 -0.265 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.117 -0.096 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.472 2.082 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.023 2.101 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.313 -0.045 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.642 0.247 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.693 2.500 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.351 2.177 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.763 1.718 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.729 0.282 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.029 0.595 -12.612 1.00 0.00 H new ATOM 748 N LEU A 51 -4.932 -0.736 -5.192 1.00 0.00 N ATOM 749 CA LEU A 51 -5.513 -1.777 -4.352 1.00 0.00 C ATOM 750 C LEU A 51 -6.344 -1.168 -3.226 1.00 0.00 C ATOM 751 O LEU A 51 -7.527 -1.473 -3.079 1.00 0.00 O ATOM 752 CB LEU A 51 -4.411 -2.662 -3.766 1.00 0.00 C ATOM 753 CG LEU A 51 -4.839 -4.061 -3.322 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.449 -4.827 -4.486 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.656 -4.821 -2.742 1.00 0.00 C ATOM 0 H LEU A 51 -3.914 -0.689 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.168 -2.387 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.621 -2.765 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.977 -2.147 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.596 -3.959 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.748 -5.820 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.323 -4.291 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.714 -4.919 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.979 -5.815 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.876 -4.913 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.264 -4.281 -1.880 1.00 0.00 H new ATOM 767 N ALA A 52 -5.715 -0.304 -2.436 1.00 0.00 N ATOM 768 CA ALA A 52 -6.397 0.352 -1.326 1.00 0.00 C ATOM 769 C ALA A 52 -7.756 0.891 -1.759 1.00 0.00 C ATOM 770 O ALA A 52 -8.753 0.727 -1.055 1.00 0.00 O ATOM 771 CB ALA A 52 -5.535 1.474 -0.766 1.00 0.00 C ATOM 0 H ALA A 52 -4.735 -0.042 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.562 -0.389 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.056 1.955 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.590 1.064 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.340 2.208 -1.548 1.00 0.00 H new ATOM 777 N VAL A 53 -7.789 1.536 -2.921 1.00 0.00 N ATOM 778 CA VAL A 53 -9.027 2.100 -3.447 1.00 0.00 C ATOM 779 C VAL A 53 -10.052 1.007 -3.728 1.00 0.00 C ATOM 780 O VAL A 53 -11.253 1.203 -3.535 1.00 0.00 O ATOM 781 CB VAL A 53 -8.774 2.897 -4.741 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.081 3.446 -5.294 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.779 4.020 -4.489 1.00 0.00 C ATOM 0 H VAL A 53 -6.973 1.681 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.418 2.774 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.347 2.224 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.883 4.006 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.758 2.621 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.540 4.105 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.612 4.573 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.176 4.694 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.835 3.599 -4.143 1.00 0.00 H new ATOM 793 N LEU A 54 -9.572 -0.144 -4.185 1.00 0.00 N ATOM 794 CA LEU A 54 -10.447 -1.270 -4.493 1.00 0.00 C ATOM 795 C LEU A 54 -10.978 -1.912 -3.215 1.00 0.00 C ATOM 796 O LEU A 54 -12.126 -2.354 -3.161 1.00 0.00 O ATOM 797 CB LEU A 54 -9.697 -2.311 -5.327 1.00 0.00 C ATOM 798 CG LEU A 54 -10.497 -3.550 -5.731 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.347 -3.260 -6.958 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.565 -4.725 -5.990 1.00 0.00 C ATOM 0 H LEU A 54 -8.581 -0.322 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.293 -0.894 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.332 -1.827 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.822 -2.636 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.162 -3.814 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.909 -4.153 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.040 -2.448 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.702 -2.970 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.151 -5.598 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.875 -4.471 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.000 -4.948 -5.085 1.00 0.00 H new ATOM 812 N LEU A 55 -10.136 -1.958 -2.189 1.00 0.00 N ATOM 813 CA LEU A 55 -10.521 -2.544 -0.910 1.00 0.00 C ATOM 814 C LEU A 55 -10.984 -1.466 0.066 1.00 0.00 C ATOM 815 O LEU A 55 -11.313 -1.756 1.216 1.00 0.00 O ATOM 816 CB LEU A 55 -9.349 -3.322 -0.309 1.00 0.00 C ATOM 817 CG LEU A 55 -8.579 -4.226 -1.272 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.199 -4.544 -0.719 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.357 -5.507 -1.537 1.00 0.00 C ATOM 0 H LEU A 55 -9.183 -1.597 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.351 -3.228 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.649 -2.608 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.727 -3.935 0.509 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.456 -3.696 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.666 -5.188 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.640 -3.618 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.300 -5.054 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.794 -6.139 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.512 -6.040 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.323 -5.261 -1.978 1.00 0.00 H new ATOM 831 N HIS A 56 -11.009 -0.223 -0.403 1.00 0.00 N ATOM 832 CA HIS A 56 -11.435 0.899 0.427 1.00 0.00 C ATOM 833 C HIS A 56 -12.845 0.673 0.963 1.00 0.00 C ATOM 834 O HIS A 56 -13.735 0.198 0.258 1.00 0.00 O ATOM 835 CB HIS A 56 -11.384 2.201 -0.373 1.00 0.00 C ATOM 836 CG HIS A 56 -11.194 3.419 0.478 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.120 4.439 0.549 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.179 3.777 1.298 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.682 5.372 1.374 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.506 4.995 1.843 1.00 0.00 N ATOM 0 H HIS A 56 -10.740 0.033 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.751 0.974 1.272 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.570 2.142 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.308 2.305 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.279 3.211 1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.197 6.288 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.934 5.522 2.502 1.00 0.00 H new ATOM 848 N PRO A 57 -13.055 1.020 2.242 1.00 0.00 N ATOM 849 CA PRO A 57 -14.355 0.863 2.901 1.00 0.00 C ATOM 850 C PRO A 57 -15.399 1.836 2.363 1.00 0.00 C ATOM 851 O PRO A 57 -16.540 1.855 2.824 1.00 0.00 O ATOM 852 CB PRO A 57 -14.047 1.167 4.370 1.00 0.00 C ATOM 853 CG PRO A 57 -12.843 2.044 4.330 1.00 0.00 C ATOM 854 CD PRO A 57 -12.040 1.592 3.142 1.00 0.00 C ATOM 0 HA PRO A 57 -14.779 -0.128 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.885 1.667 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.853 0.253 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.127 3.092 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.264 1.954 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.511 2.423 2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.289 0.853 3.422 1.00 0.00 H new ATOM 862 N ASP A 58 -15.000 2.643 1.386 1.00 0.00 N ATOM 863 CA ASP A 58 -15.902 3.618 0.784 1.00 0.00 C ATOM 864 C ASP A 58 -16.445 3.107 -0.547 1.00 0.00 C ATOM 865 O ASP A 58 -17.464 3.590 -1.041 1.00 0.00 O ATOM 866 CB ASP A 58 -15.182 4.951 0.577 1.00 0.00 C ATOM 867 CG ASP A 58 -16.069 5.994 -0.074 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.280 6.015 0.229 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.552 6.789 -0.887 1.00 0.00 O ATOM 0 H ASP A 58 -14.058 2.641 0.994 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.740 3.769 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.833 5.325 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.299 4.791 -0.042 1.00 0.00 H new ATOM 874 N LYS A 59 -15.757 2.128 -1.124 1.00 0.00 N ATOM 875 CA LYS A 59 -16.168 1.550 -2.398 1.00 0.00 C ATOM 876 C LYS A 59 -16.502 0.070 -2.241 1.00 0.00 C ATOM 877 O LYS A 59 -17.441 -0.433 -2.860 1.00 0.00 O ATOM 878 CB LYS A 59 -15.064 1.727 -3.442 1.00 0.00 C ATOM 879 CG LYS A 59 -14.649 3.174 -3.650 1.00 0.00 C ATOM 880 CD LYS A 59 -13.739 3.325 -4.857 1.00 0.00 C ATOM 881 CE LYS A 59 -14.519 3.227 -6.159 1.00 0.00 C ATOM 882 NZ LYS A 59 -14.702 1.813 -6.590 1.00 0.00 N ATOM 0 H LYS A 59 -14.911 1.718 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.063 2.073 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.192 1.148 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.405 1.315 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.537 3.793 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.137 3.538 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.227 4.286 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.970 2.553 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.494 3.698 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.995 3.780 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.372 1.703 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.153 1.186 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.709 1.561 -6.534 1.00 0.00 H new ATOM 896 N CYS A 60 -15.730 -0.621 -1.411 1.00 0.00 N ATOM 897 CA CYS A 60 -15.945 -2.044 -1.173 1.00 0.00 C ATOM 898 C CYS A 60 -16.549 -2.279 0.208 1.00 0.00 C ATOM 899 O CYS A 60 -15.849 -2.235 1.219 1.00 0.00 O ATOM 900 CB CYS A 60 -14.627 -2.809 -1.303 1.00 0.00 C ATOM 901 SG CYS A 60 -14.827 -4.568 -1.668 1.00 0.00 S ATOM 0 H CYS A 60 -14.949 -0.220 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.645 -2.411 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.030 -2.351 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.065 -2.703 -0.375 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.680 -5.168 -1.553 1.00 0.00 H new ATOM 907 N VAL A 61 -17.854 -2.529 0.242 1.00 0.00 N ATOM 908 CA VAL A 61 -18.554 -2.771 1.498 1.00 0.00 C ATOM 909 C VAL A 61 -18.498 -4.245 1.883 1.00 0.00 C ATOM 910 O VAL A 61 -19.151 -4.674 2.834 1.00 0.00 O ATOM 911 CB VAL A 61 -20.027 -2.329 1.414 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.122 -0.838 1.127 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.764 -3.133 0.353 1.00 0.00 C ATOM 0 H VAL A 61 -18.448 -2.569 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.048 -2.180 2.261 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.501 -2.520 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.170 -0.544 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.631 -0.282 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.633 -0.618 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.803 -2.808 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.291 -2.976 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.726 -4.192 0.607 1.00 0.00 H new ATOM 923 N ALA A 62 -17.712 -5.016 1.139 1.00 0.00 N ATOM 924 CA ALA A 62 -17.568 -6.442 1.404 1.00 0.00 C ATOM 925 C ALA A 62 -17.129 -6.691 2.843 1.00 0.00 C ATOM 926 O ALA A 62 -16.490 -5.851 3.476 1.00 0.00 O ATOM 927 CB ALA A 62 -16.576 -7.062 0.432 1.00 0.00 C ATOM 0 H ALA A 62 -17.165 -4.677 0.348 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.541 -6.913 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.478 -8.127 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.932 -6.924 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.605 -6.579 0.546 1.00 0.00 H new ATOM 933 N PRO A 63 -17.479 -7.873 3.373 1.00 0.00 N ATOM 934 CA PRO A 63 -17.131 -8.259 4.743 1.00 0.00 C ATOM 935 C PRO A 63 -15.637 -8.515 4.912 1.00 0.00 C ATOM 936 O PRO A 63 -15.093 -8.376 6.006 1.00 0.00 O ATOM 937 CB PRO A 63 -17.922 -9.552 4.959 1.00 0.00 C ATOM 938 CG PRO A 63 -18.119 -10.108 3.591 1.00 0.00 C ATOM 939 CD PRO A 63 -18.241 -8.922 2.675 1.00 0.00 C ATOM 0 HA PRO A 63 -17.368 -7.473 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.376 -10.249 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.876 -9.355 5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.279 -10.739 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.014 -10.728 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.826 -9.131 1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.282 -8.633 2.528 1.00 0.00 H new ATOM 947 N GLY A 64 -14.978 -8.890 3.819 1.00 0.00 N ATOM 948 CA GLY A 64 -13.553 -9.159 3.868 1.00 0.00 C ATOM 949 C GLY A 64 -12.722 -7.955 3.469 1.00 0.00 C ATOM 950 O GLY A 64 -11.574 -7.817 3.892 1.00 0.00 O ATOM 0 H GLY A 64 -15.406 -9.012 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.279 -9.468 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.321 -9.993 3.205 1.00 0.00 H new ATOM 954 N SER A 65 -13.302 -7.082 2.652 1.00 0.00 N ATOM 955 CA SER A 65 -12.605 -5.887 2.191 1.00 0.00 C ATOM 956 C SER A 65 -11.936 -5.165 3.357 1.00 0.00 C ATOM 957 O SER A 65 -10.889 -4.540 3.195 1.00 0.00 O ATOM 958 CB SER A 65 -13.579 -4.943 1.484 1.00 0.00 C ATOM 959 OG SER A 65 -14.542 -4.432 2.389 1.00 0.00 O ATOM 0 H SER A 65 -14.253 -7.180 2.296 1.00 0.00 H new ATOM 0 HA SER A 65 -11.833 -6.196 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.028 -4.119 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.081 -5.473 0.675 1.00 0.00 H new ATOM 0 HG SER A 65 -15.129 -5.158 2.687 1.00 0.00 H new ATOM 965 N GLU A 66 -12.551 -5.257 4.533 1.00 0.00 N ATOM 966 CA GLU A 66 -12.016 -4.612 5.726 1.00 0.00 C ATOM 967 C GLU A 66 -10.633 -5.161 6.068 1.00 0.00 C ATOM 968 O GLU A 66 -9.643 -4.429 6.059 1.00 0.00 O ATOM 969 CB GLU A 66 -12.964 -4.813 6.910 1.00 0.00 C ATOM 970 CG GLU A 66 -12.398 -4.322 8.233 1.00 0.00 C ATOM 971 CD GLU A 66 -13.473 -3.813 9.173 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.371 -4.603 9.533 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.416 -2.624 9.550 1.00 0.00 O ATOM 0 H GLU A 66 -13.419 -5.771 4.684 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.924 -3.545 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.899 -4.291 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.203 -5.873 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.854 -5.134 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.679 -3.525 8.043 1.00 0.00 H new ATOM 980 N ASP A 67 -10.575 -6.453 6.369 1.00 0.00 N ATOM 981 CA ASP A 67 -9.315 -7.102 6.714 1.00 0.00 C ATOM 982 C ASP A 67 -8.303 -6.959 5.582 1.00 0.00 C ATOM 983 O ASP A 67 -7.101 -6.852 5.821 1.00 0.00 O ATOM 984 CB ASP A 67 -9.547 -8.581 7.024 1.00 0.00 C ATOM 985 CG ASP A 67 -10.276 -8.790 8.337 1.00 0.00 C ATOM 986 OD1 ASP A 67 -11.525 -8.799 8.328 1.00 0.00 O ATOM 987 OD2 ASP A 67 -9.597 -8.946 9.374 1.00 0.00 O ATOM 0 H ASP A 67 -11.385 -7.072 6.381 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.913 -6.612 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.123 -9.033 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.587 -9.097 7.058 1.00 0.00 H new ATOM 992 N ALA A 68 -8.798 -6.960 4.348 1.00 0.00 N ATOM 993 CA ALA A 68 -7.938 -6.829 3.179 1.00 0.00 C ATOM 994 C ALA A 68 -7.140 -5.530 3.227 1.00 0.00 C ATOM 995 O ALA A 68 -5.933 -5.522 2.988 1.00 0.00 O ATOM 996 CB ALA A 68 -8.765 -6.897 1.904 1.00 0.00 C ATOM 0 H ALA A 68 -9.791 -7.050 4.133 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.231 -7.659 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.109 -6.798 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.284 -7.854 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.495 -6.088 1.900 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.824 -4.433 3.535 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.179 -3.127 3.611 1.00 0.00 C ATOM 1004 C PHE A 69 -6.098 -3.117 4.688 1.00 0.00 C ATOM 1005 O PHE A 69 -4.988 -2.632 4.466 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.215 -2.040 3.902 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.658 -0.647 3.834 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.975 -0.214 2.709 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.816 0.230 4.895 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.461 1.068 2.642 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.304 1.512 4.835 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.625 1.931 3.708 1.00 0.00 C ATOM 0 H PHE A 69 -8.824 -4.422 3.736 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.710 -2.924 2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.034 -2.130 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.636 -2.206 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.842 -0.886 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.346 -0.092 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.933 1.394 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.435 2.186 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.223 2.932 3.660 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.431 -3.654 5.857 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.491 -3.708 6.970 1.00 0.00 C ATOM 1024 C LYS A 70 -4.196 -4.399 6.555 1.00 0.00 C ATOM 1025 O LYS A 70 -3.103 -3.886 6.796 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.116 -4.443 8.158 1.00 0.00 C ATOM 1027 CG LYS A 70 -6.792 -3.520 9.157 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.256 -3.302 8.814 1.00 0.00 C ATOM 1029 CE LYS A 70 -9.141 -4.369 9.439 1.00 0.00 C ATOM 1030 NZ LYS A 70 -9.157 -4.274 10.925 1.00 0.00 N ATOM 0 H LYS A 70 -7.346 -4.058 6.058 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.258 -2.685 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.847 -5.161 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.341 -5.014 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.711 -3.944 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.275 -2.561 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.570 -2.318 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.382 -3.312 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.157 -4.268 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.786 -5.356 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.030 -4.704 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.334 -4.777 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.118 -3.274 11.209 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.327 -5.564 5.930 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.167 -6.324 5.479 1.00 0.00 C ATOM 1046 C ALA A 71 -2.284 -5.484 4.563 1.00 0.00 C ATOM 1047 O ALA A 71 -1.078 -5.368 4.781 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.611 -7.593 4.768 1.00 0.00 C ATOM 0 H ALA A 71 -5.225 -6.003 5.724 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.580 -6.599 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.735 -8.150 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.195 -8.208 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.222 -7.331 3.904 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.892 -4.899 3.535 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.160 -4.069 2.585 1.00 0.00 C ATOM 1056 C VAL A 72 -1.175 -3.153 3.301 1.00 0.00 C ATOM 1057 O VAL A 72 -0.006 -3.065 2.925 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.117 -3.212 1.735 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.336 -2.218 0.890 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.991 -4.099 0.860 1.00 0.00 C ATOM 0 H VAL A 72 -3.889 -4.985 3.339 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.612 -4.746 1.930 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.767 -2.650 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.029 -1.622 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.758 -1.562 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.660 -2.757 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.661 -3.477 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.360 -4.690 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.579 -4.766 1.491 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.654 -2.471 4.337 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.815 -1.561 5.108 1.00 0.00 C ATOM 1072 C VAL A 73 0.383 -2.291 5.704 1.00 0.00 C ATOM 1073 O VAL A 73 1.529 -1.896 5.496 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.611 -0.890 6.243 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.696 -0.029 7.100 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.756 -0.066 5.676 1.00 0.00 C ATOM 0 H VAL A 73 -2.619 -2.532 4.662 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.463 -0.794 4.419 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.035 -1.669 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.276 0.437 7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.085 -0.651 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.241 0.745 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.307 0.401 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.357 0.707 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.425 -0.714 5.110 1.00 0.00 H new ATOM 1086 N ASN A 74 0.109 -3.359 6.446 1.00 0.00 N ATOM 1087 CA ASN A 74 1.166 -4.145 7.073 1.00 0.00 C ATOM 1088 C ASN A 74 2.220 -4.554 6.049 1.00 0.00 C ATOM 1089 O ASN A 74 3.399 -4.688 6.376 1.00 0.00 O ATOM 1090 CB ASN A 74 0.576 -5.390 7.739 1.00 0.00 C ATOM 1091 CG ASN A 74 0.119 -5.124 9.160 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.605 -5.743 10.107 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.820 -4.198 9.316 1.00 0.00 N ATOM 0 H ASN A 74 -0.835 -3.700 6.628 1.00 0.00 H new ATOM 0 HA ASN A 74 1.644 -3.526 7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.268 -5.748 7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.322 -6.185 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.167 -3.975 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.195 -3.709 8.503 1.00 0.00 H new ATOM 1100 N ALA A 75 1.788 -4.750 4.808 1.00 0.00 N ATOM 1101 CA ALA A 75 2.694 -5.141 3.735 1.00 0.00 C ATOM 1102 C ALA A 75 3.473 -3.939 3.210 1.00 0.00 C ATOM 1103 O ALA A 75 4.704 -3.937 3.211 1.00 0.00 O ATOM 1104 CB ALA A 75 1.921 -5.805 2.606 1.00 0.00 C ATOM 0 H ALA A 75 0.815 -4.644 4.520 1.00 0.00 H new ATOM 0 HA ALA A 75 3.409 -5.857 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.611 -6.091 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.415 -6.693 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.183 -5.107 2.211 1.00 0.00 H new ATOM 1110 N ARG A 76 2.748 -2.920 2.761 1.00 0.00 N ATOM 1111 CA ARG A 76 3.372 -1.714 2.231 1.00 0.00 C ATOM 1112 C ARG A 76 4.304 -1.086 3.263 1.00 0.00 C ATOM 1113 O ARG A 76 5.493 -0.892 3.005 1.00 0.00 O ATOM 1114 CB ARG A 76 2.302 -0.703 1.813 1.00 0.00 C ATOM 1115 CG ARG A 76 2.870 0.635 1.366 1.00 0.00 C ATOM 1116 CD ARG A 76 1.928 1.780 1.702 1.00 0.00 C ATOM 1117 NE ARG A 76 2.650 3.010 2.016 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.161 3.974 2.787 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.953 3.851 3.321 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.879 5.064 3.026 1.00 0.00 N ATOM 0 H ARG A 76 1.728 -2.906 2.754 1.00 0.00 H new ATOM 0 HA ARG A 76 3.961 -1.993 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.711 -1.127 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.623 -0.539 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.833 0.802 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.050 0.614 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.259 1.958 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.305 1.499 2.551 1.00 0.00 H new ATOM 0 HE ARG A 76 3.582 3.136 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.398 3.015 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.579 4.593 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.808 5.162 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.502 5.804 3.619 1.00 0.00 H new ATOM 1134 N THR A 77 3.758 -0.769 4.432 1.00 0.00 N ATOM 1135 CA THR A 77 4.539 -0.161 5.502 1.00 0.00 C ATOM 1136 C THR A 77 5.795 -0.974 5.795 1.00 0.00 C ATOM 1137 O THR A 77 6.908 -0.451 5.750 1.00 0.00 O ATOM 1138 CB THR A 77 3.714 -0.030 6.796 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.498 0.679 6.531 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.506 0.697 7.871 1.00 0.00 C ATOM 0 H THR A 77 2.776 -0.923 4.662 1.00 0.00 H new ATOM 0 HA THR A 77 4.824 0.834 5.159 1.00 0.00 H new ATOM 0 HB THR A 77 3.480 -1.032 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.845 0.070 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.903 0.778 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.417 0.140 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.767 1.695 7.519 1.00 0.00 H new ATOM 1148 N ALA A 78 5.609 -2.256 6.093 1.00 0.00 N ATOM 1149 CA ALA A 78 6.728 -3.141 6.390 1.00 0.00 C ATOM 1150 C ALA A 78 7.766 -3.109 5.273 1.00 0.00 C ATOM 1151 O ALA A 78 8.969 -3.058 5.531 1.00 0.00 O ATOM 1152 CB ALA A 78 6.232 -4.563 6.611 1.00 0.00 C ATOM 0 H ALA A 78 4.694 -2.704 6.135 1.00 0.00 H new ATOM 0 HA ALA A 78 7.205 -2.788 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.078 -5.213 6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.534 -4.579 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.728 -4.916 5.711 1.00 0.00 H new ATOM 1158 N LEU A 79 7.293 -3.139 4.032 1.00 0.00 N ATOM 1159 CA LEU A 79 8.181 -3.113 2.874 1.00 0.00 C ATOM 1160 C LEU A 79 8.969 -1.809 2.821 1.00 0.00 C ATOM 1161 O LEU A 79 10.200 -1.815 2.816 1.00 0.00 O ATOM 1162 CB LEU A 79 7.375 -3.289 1.586 1.00 0.00 C ATOM 1163 CG LEU A 79 6.846 -4.697 1.311 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.906 -4.691 0.116 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.999 -5.664 1.080 1.00 0.00 C ATOM 0 H LEU A 79 6.300 -3.181 3.801 1.00 0.00 H new ATOM 0 HA LEU A 79 8.887 -3.938 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.528 -2.604 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.000 -2.987 0.746 1.00 0.00 H new ATOM 0 HG LEU A 79 6.287 -5.031 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.540 -5.702 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.063 -4.031 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.440 -4.336 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.604 -6.661 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.586 -5.333 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.634 -5.691 1.966 1.00 0.00 H new ATOM 1177 N LEU A 80 8.251 -0.691 2.784 1.00 0.00 N ATOM 1178 CA LEU A 80 8.883 0.623 2.733 1.00 0.00 C ATOM 1179 C LEU A 80 9.903 0.779 3.856 1.00 0.00 C ATOM 1180 O LEU A 80 10.955 1.392 3.674 1.00 0.00 O ATOM 1181 CB LEU A 80 7.826 1.723 2.832 1.00 0.00 C ATOM 1182 CG LEU A 80 6.804 1.777 1.696 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.809 2.904 1.925 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.505 1.946 0.356 1.00 0.00 C ATOM 0 H LEU A 80 7.231 -0.668 2.788 1.00 0.00 H new ATOM 0 HA LEU A 80 9.403 0.713 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.288 1.599 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.336 2.685 2.881 1.00 0.00 H new ATOM 0 HG LEU A 80 6.256 0.835 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.090 2.926 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.283 2.740 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.340 3.855 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.762 1.982 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.079 2.873 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.177 1.104 0.188 1.00 0.00 H new