USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 496 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 16 CYS SG : rot 117:sc= -6.91! USER MOD Set 1.2: A 47 TYR OH : rot -10:sc= 0.897 USER MOD Set 1.3: A 78 CYS SG : rot 112:sc= -1.4! USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= -0.0446 USER MOD Set 2.2: A 52 THR OG1 : rot -66:sc= 0.647 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -128:sc= -0.774 (180deg=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 1.56 (180deg=0.783) USER MOD Single : A 29 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0099) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 130:sc= 0 USER MOD Single : A 37 MET CE :methyl 147:sc= -1.75 (180deg=-5.18!) USER MOD Single : A 39 MET CE :methyl 154:sc= -0.516 (180deg=-1.89) USER MOD Single : A 41 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 0.698 (180deg=0.0406) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 49 LYS NZ :NH3+ -131:sc= 1.08 (180deg=-0.987) USER MOD Single : A 56 MET CE :methyl -146:sc= 0 (180deg=-0.558) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= 1.18 (180deg=-0.407) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.51) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -24:sc= 1.09 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0.675 (180deg=0.586) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 25.723 -30.366 -24.007 1.00 0.00 N ATOM 159 CA GLU A 12 26.896 -29.571 -23.597 1.00 0.00 C ATOM 160 C GLU A 12 27.355 -28.619 -24.729 1.00 0.00 C ATOM 161 O GLU A 12 28.008 -27.599 -24.502 1.00 0.00 O ATOM 162 CB GLU A 12 28.050 -30.444 -23.104 1.00 0.00 C ATOM 163 CG GLU A 12 29.139 -29.608 -22.428 1.00 0.00 C ATOM 164 CD GLU A 12 30.225 -30.504 -21.868 1.00 0.00 C ATOM 165 OE1 GLU A 12 31.154 -30.856 -22.623 1.00 0.00 O ATOM 166 OE2 GLU A 12 30.160 -30.861 -20.672 1.00 0.00 O ATOM 0 HA GLU A 12 26.580 -28.961 -22.751 1.00 0.00 H new ATOM 0 HB2 GLU A 12 27.671 -31.186 -22.401 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.479 -30.990 -23.944 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.569 -28.911 -23.147 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.703 -29.011 -21.627 1.00 0.00 H new ATOM 173 N LYS A 13 27.003 -28.956 -25.971 1.00 0.00 N ATOM 174 CA LYS A 13 27.159 -27.983 -27.047 1.00 0.00 C ATOM 175 C LYS A 13 26.264 -26.745 -26.855 1.00 0.00 C ATOM 176 O LYS A 13 26.678 -25.617 -27.135 1.00 0.00 O ATOM 177 CB LYS A 13 27.020 -28.604 -28.447 1.00 0.00 C ATOM 178 CG LYS A 13 25.564 -28.915 -28.823 1.00 0.00 C ATOM 179 CD LYS A 13 24.946 -27.759 -29.621 1.00 0.00 C ATOM 180 CE LYS A 13 23.470 -28.021 -29.932 1.00 0.00 C ATOM 181 NZ LYS A 13 22.634 -27.673 -28.767 1.00 0.00 N ATOM 0 H LYS A 13 26.622 -29.861 -26.248 1.00 0.00 H new ATOM 0 HA LYS A 13 28.188 -27.630 -26.983 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.442 -27.922 -29.185 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.605 -29.523 -28.491 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.524 -29.831 -29.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.980 -29.091 -27.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.041 -26.832 -29.055 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.497 -27.622 -30.552 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.163 -27.433 -30.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.326 -29.070 -30.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.635 -27.855 -28.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.918 -28.252 -27.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.760 -26.666 -28.538 1.00 0.00 H new ATOM 195 N ASP A 14 25.017 -26.942 -26.399 1.00 0.00 N ATOM 196 CA ASP A 14 24.241 -25.783 -25.934 1.00 0.00 C ATOM 197 C ASP A 14 25.008 -24.980 -24.879 1.00 0.00 C ATOM 198 O ASP A 14 25.002 -23.752 -24.886 1.00 0.00 O ATOM 199 CB ASP A 14 22.847 -26.131 -25.395 1.00 0.00 C ATOM 200 CG ASP A 14 22.020 -24.881 -25.122 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.341 -24.395 -26.053 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.047 -24.376 -23.978 1.00 0.00 O ATOM 0 H ASP A 14 24.544 -27.844 -26.343 1.00 0.00 H new ATOM 0 HA ASP A 14 24.093 -25.177 -26.828 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.326 -26.762 -26.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.946 -26.710 -24.477 1.00 0.00 H new ATOM 207 N GLU A 15 25.686 -25.683 -23.976 1.00 0.00 N ATOM 208 CA GLU A 15 26.541 -24.983 -23.001 1.00 0.00 C ATOM 209 C GLU A 15 27.569 -24.061 -23.648 1.00 0.00 C ATOM 210 O GLU A 15 27.743 -22.911 -23.244 1.00 0.00 O ATOM 211 CB GLU A 15 27.267 -25.936 -22.026 1.00 0.00 C ATOM 212 CG GLU A 15 26.438 -26.193 -20.764 1.00 0.00 C ATOM 213 CD GLU A 15 26.331 -24.953 -19.883 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.222 -24.739 -19.035 1.00 0.00 O ATOM 215 OE2 GLU A 15 25.349 -24.192 -20.032 1.00 0.00 O ATOM 0 H GLU A 15 25.669 -26.699 -23.892 1.00 0.00 H new ATOM 0 HA GLU A 15 25.837 -24.375 -22.433 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.471 -26.883 -22.526 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.230 -25.508 -21.748 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.439 -26.522 -21.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.890 -27.004 -20.193 1.00 0.00 H new ATOM 222 N CYS A 16 28.252 -24.561 -24.665 1.00 0.00 N ATOM 223 CA CYS A 16 29.295 -23.730 -25.285 1.00 0.00 C ATOM 224 C CYS A 16 28.751 -22.569 -26.129 1.00 0.00 C ATOM 225 O CYS A 16 29.354 -21.498 -26.159 1.00 0.00 O ATOM 226 CB CYS A 16 30.404 -24.526 -25.970 1.00 0.00 C ATOM 227 SG CYS A 16 31.033 -25.763 -24.790 1.00 0.00 S ATOM 0 H CYS A 16 28.122 -25.488 -25.069 1.00 0.00 H new ATOM 0 HA CYS A 16 29.789 -23.248 -24.441 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.022 -25.016 -26.866 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.207 -23.862 -26.288 1.00 0.00 H new ATOM 0 HG CYS A 16 30.808 -26.957 -25.252 1.00 0.00 H new ATOM 233 N MET A 17 27.615 -22.739 -26.813 1.00 0.00 N ATOM 234 CA MET A 17 26.977 -21.543 -27.413 1.00 0.00 C ATOM 235 C MET A 17 26.349 -20.629 -26.333 1.00 0.00 C ATOM 236 O MET A 17 26.240 -19.416 -26.509 1.00 0.00 O ATOM 237 CB MET A 17 25.946 -21.832 -28.524 1.00 0.00 C ATOM 238 CG MET A 17 25.966 -20.848 -29.723 1.00 0.00 C ATOM 239 SD MET A 17 27.351 -19.684 -29.659 1.00 0.00 S ATOM 240 CE MET A 17 28.401 -20.211 -31.040 1.00 0.00 C ATOM 0 H MET A 17 27.137 -23.627 -26.965 1.00 0.00 H new ATOM 0 HA MET A 17 27.802 -21.026 -27.903 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.116 -22.841 -28.901 1.00 0.00 H new ATOM 0 HB3 MET A 17 24.949 -21.821 -28.083 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.019 -21.416 -30.652 1.00 0.00 H new ATOM 0 HG3 MET A 17 25.030 -20.290 -29.744 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.421 -20.357 -30.686 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.021 -21.147 -31.449 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.393 -19.446 -31.816 1.00 0.00 H new ATOM 250 N LYS A 18 25.941 -21.215 -25.202 1.00 0.00 N ATOM 251 CA LYS A 18 25.438 -20.401 -24.091 1.00 0.00 C ATOM 252 C LYS A 18 26.511 -19.480 -23.507 1.00 0.00 C ATOM 253 O LYS A 18 26.284 -18.289 -23.295 1.00 0.00 O ATOM 254 CB LYS A 18 24.830 -21.284 -22.993 1.00 0.00 C ATOM 255 CG LYS A 18 23.810 -20.532 -22.129 1.00 0.00 C ATOM 256 CD LYS A 18 22.429 -21.190 -22.233 1.00 0.00 C ATOM 257 CE LYS A 18 22.251 -22.305 -21.195 1.00 0.00 C ATOM 258 NZ LYS A 18 22.940 -23.535 -21.630 1.00 0.00 N ATOM 0 H LYS A 18 25.948 -22.221 -25.034 1.00 0.00 H new ATOM 0 HA LYS A 18 24.655 -19.763 -24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.346 -22.146 -23.452 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.628 -21.667 -22.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.139 -20.526 -21.090 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.749 -19.492 -22.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.655 -20.435 -22.093 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.296 -21.600 -23.234 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.648 -21.980 -20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.190 -22.508 -21.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.430 -24.365 -21.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.964 -23.571 -22.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.912 -23.537 -21.261 1.00 0.00 H new ATOM 272 N ILE A 19 27.693 -20.025 -23.222 1.00 0.00 N ATOM 273 CA ILE A 19 28.803 -19.131 -22.871 1.00 0.00 C ATOM 274 C ILE A 19 29.207 -18.248 -24.052 1.00 0.00 C ATOM 275 O ILE A 19 29.494 -17.067 -23.883 1.00 0.00 O ATOM 276 CB ILE A 19 30.041 -19.776 -22.244 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.147 -18.716 -22.192 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.518 -21.001 -23.031 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.993 -18.854 -20.962 1.00 0.00 C ATOM 0 H ILE A 19 27.905 -21.023 -23.224 1.00 0.00 H new ATOM 0 HA ILE A 19 28.380 -18.527 -22.068 1.00 0.00 H new ATOM 0 HB ILE A 19 29.789 -20.129 -21.244 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.776 -18.804 -23.078 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.700 -17.722 -22.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.399 -21.424 -22.547 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.725 -21.748 -23.058 1.00 0.00 H new ATOM 0 HG23 ILE A 19 30.771 -20.704 -24.049 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.765 -18.084 -20.963 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.368 -18.740 -20.076 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.462 -19.838 -20.951 1.00 0.00 H new ATOM 291 N PHE A 20 29.274 -18.800 -25.254 1.00 0.00 N ATOM 292 CA PHE A 20 29.475 -17.929 -26.417 1.00 0.00 C ATOM 293 C PHE A 20 28.508 -16.701 -26.402 1.00 0.00 C ATOM 294 O PHE A 20 28.754 -15.653 -26.996 1.00 0.00 O ATOM 295 CB PHE A 20 29.319 -18.710 -27.724 1.00 0.00 C ATOM 296 CG PHE A 20 30.176 -18.152 -28.838 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.459 -18.563 -28.993 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.734 -17.081 -29.533 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.358 -17.733 -29.576 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.622 -16.252 -30.128 1.00 0.00 C ATOM 301 CZ PHE A 20 31.944 -16.549 -30.091 1.00 0.00 C ATOM 0 H PHE A 20 29.197 -19.797 -25.453 1.00 0.00 H new ATOM 0 HA PHE A 20 30.495 -17.550 -26.356 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.584 -19.753 -27.554 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.273 -18.693 -28.031 1.00 0.00 H new ATOM 0 HD1 PHE A 20 31.762 -19.543 -28.655 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.675 -16.887 -29.613 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.400 -18.013 -29.630 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.280 -15.359 -30.630 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.667 -15.843 -30.472 1.00 0.00 H new ATOM 311 N ASP A 21 27.383 -16.874 -25.713 1.00 0.00 N ATOM 312 CA ASP A 21 26.460 -15.747 -25.481 1.00 0.00 C ATOM 313 C ASP A 21 26.738 -14.947 -24.189 1.00 0.00 C ATOM 314 O ASP A 21 26.458 -13.753 -24.105 1.00 0.00 O ATOM 315 CB ASP A 21 25.011 -16.244 -25.462 1.00 0.00 C ATOM 316 CG ASP A 21 24.003 -15.116 -25.645 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.081 -14.390 -26.659 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.133 -14.940 -24.764 1.00 0.00 O ATOM 0 H ASP A 21 27.085 -17.762 -25.309 1.00 0.00 H new ATOM 0 HA ASP A 21 26.628 -15.062 -26.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.873 -16.981 -26.253 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.817 -16.750 -24.517 1.00 0.00 H new ATOM 323 N ILE A 22 27.201 -15.619 -23.144 1.00 0.00 N ATOM 324 CA ILE A 22 27.599 -14.866 -21.928 1.00 0.00 C ATOM 325 C ILE A 22 28.897 -14.070 -22.165 1.00 0.00 C ATOM 326 O ILE A 22 28.954 -12.852 -21.994 1.00 0.00 O ATOM 327 CB ILE A 22 27.745 -15.673 -20.601 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.445 -16.378 -20.172 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.158 -14.731 -19.466 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.780 -17.670 -19.423 1.00 0.00 C ATOM 0 H ILE A 22 27.313 -16.632 -23.095 1.00 0.00 H new ATOM 0 HA ILE A 22 26.740 -14.213 -21.771 1.00 0.00 H new ATOM 0 HB ILE A 22 28.500 -16.435 -20.792 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.856 -15.719 -19.534 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.836 -16.602 -21.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.259 -15.298 -18.541 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.112 -14.263 -19.710 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.398 -13.960 -19.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.857 -18.165 -19.121 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.350 -18.331 -20.075 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.371 -17.435 -18.538 1.00 0.00 H new ATOM 342 N PHE A 23 29.947 -14.784 -22.543 1.00 0.00 N ATOM 343 CA PHE A 23 31.253 -14.134 -22.719 1.00 0.00 C ATOM 344 C PHE A 23 31.412 -13.421 -24.052 1.00 0.00 C ATOM 345 O PHE A 23 32.016 -12.358 -24.140 1.00 0.00 O ATOM 346 CB PHE A 23 32.408 -15.152 -22.682 1.00 0.00 C ATOM 347 CG PHE A 23 32.724 -15.667 -21.286 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.740 -15.822 -20.371 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.004 -15.913 -20.916 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.043 -15.730 -19.056 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.323 -15.887 -19.596 1.00 0.00 C ATOM 352 CZ PHE A 23 33.344 -15.719 -18.668 1.00 0.00 C ATOM 0 H PHE A 23 29.932 -15.786 -22.731 1.00 0.00 H new ATOM 0 HA PHE A 23 31.291 -13.421 -21.895 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.157 -15.997 -23.323 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.302 -14.689 -23.100 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.726 -16.017 -20.686 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.758 -16.126 -21.659 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.255 -15.666 -18.320 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.351 -15.999 -19.285 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.600 -15.578 -17.628 1.00 0.00 H new ATOM 362 N ASP A 24 30.898 -14.032 -25.107 1.00 0.00 N ATOM 363 CA ASP A 24 31.292 -13.571 -26.430 1.00 0.00 C ATOM 364 C ASP A 24 30.200 -12.722 -27.106 1.00 0.00 C ATOM 365 O ASP A 24 29.903 -12.902 -28.287 1.00 0.00 O ATOM 366 CB ASP A 24 31.670 -14.739 -27.347 1.00 0.00 C ATOM 367 CG ASP A 24 32.950 -15.440 -26.914 1.00 0.00 C ATOM 368 OD1 ASP A 24 32.918 -16.198 -25.920 1.00 0.00 O ATOM 369 OD2 ASP A 24 33.988 -15.259 -27.585 1.00 0.00 O ATOM 0 H ASP A 24 30.239 -14.810 -25.082 1.00 0.00 H new ATOM 0 HA ASP A 24 32.168 -12.941 -26.277 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.854 -15.461 -27.363 1.00 0.00 H new ATOM 0 HB3 ASP A 24 31.790 -14.371 -28.366 1.00 0.00 H new ATOM 437 N ASN A 29 32.829 -10.160 -28.910 1.00 0.00 N ATOM 438 CA ASN A 29 32.666 -11.438 -29.634 1.00 0.00 C ATOM 439 C ASN A 29 33.957 -12.261 -29.734 1.00 0.00 C ATOM 440 O ASN A 29 33.928 -13.443 -30.067 1.00 0.00 O ATOM 441 CB ASN A 29 32.019 -11.263 -31.025 1.00 0.00 C ATOM 442 CG ASN A 29 30.701 -10.478 -30.975 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.574 -9.414 -31.577 1.00 0.00 O ATOM 444 ND2 ASN A 29 29.698 -10.985 -30.278 1.00 0.00 N ATOM 0 HA ASN A 29 31.975 -12.011 -29.016 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.718 -10.748 -31.683 1.00 0.00 H new ATOM 0 HB3 ASN A 29 31.835 -12.245 -31.461 1.00 0.00 H new ATOM 0 HD21 ASN A 29 28.806 -10.492 -30.236 1.00 0.00 H new ATOM 0 HD22 ASN A 29 29.816 -11.869 -29.783 1.00 0.00 H new ATOM 451 N ILE A 30 35.086 -11.639 -29.411 1.00 0.00 N ATOM 452 CA ILE A 30 36.351 -12.370 -29.435 1.00 0.00 C ATOM 453 C ILE A 30 36.842 -12.632 -27.990 1.00 0.00 C ATOM 454 O ILE A 30 37.408 -11.754 -27.337 1.00 0.00 O ATOM 455 CB ILE A 30 37.401 -11.665 -30.329 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.676 -10.228 -29.819 1.00 0.00 C ATOM 457 CG2 ILE A 30 36.911 -11.648 -31.784 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.235 -9.296 -30.901 1.00 0.00 C ATOM 0 H ILE A 30 35.154 -10.659 -29.137 1.00 0.00 H new ATOM 0 HA ILE A 30 36.191 -13.344 -29.896 1.00 0.00 H new ATOM 0 HB ILE A 30 38.339 -12.218 -30.282 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.750 -9.805 -29.428 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.381 -10.273 -28.989 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.651 -11.151 -32.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.768 -12.671 -32.132 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.965 -11.109 -31.843 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.405 -8.306 -30.477 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.177 -9.697 -31.275 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.521 -9.221 -31.721 1.00 0.00 H new ATOM 470 N ALA A 31 36.598 -13.838 -27.468 1.00 0.00 N ATOM 471 CA ALA A 31 36.957 -14.111 -26.058 1.00 0.00 C ATOM 472 C ALA A 31 38.369 -14.713 -25.907 1.00 0.00 C ATOM 473 O ALA A 31 38.702 -15.681 -26.587 1.00 0.00 O ATOM 474 CB ALA A 31 35.948 -15.028 -25.367 1.00 0.00 C ATOM 0 H ALA A 31 36.171 -14.617 -27.969 1.00 0.00 H new ATOM 0 HA ALA A 31 36.941 -13.136 -25.571 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.257 -15.197 -24.335 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.964 -14.560 -25.379 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.903 -15.981 -25.893 1.00 0.00 H new ATOM 480 N PRO A 32 39.191 -14.245 -24.954 1.00 0.00 N ATOM 481 CA PRO A 32 40.610 -14.640 -24.984 1.00 0.00 C ATOM 482 C PRO A 32 40.923 -15.866 -24.093 1.00 0.00 C ATOM 483 O PRO A 32 40.033 -16.513 -23.541 1.00 0.00 O ATOM 484 CB PRO A 32 41.344 -13.376 -24.511 1.00 0.00 C ATOM 485 CG PRO A 32 40.308 -12.497 -23.813 1.00 0.00 C ATOM 486 CD PRO A 32 38.954 -12.927 -24.361 1.00 0.00 C ATOM 0 HA PRO A 32 40.921 -14.968 -25.976 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.155 -13.633 -23.829 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.791 -12.850 -25.355 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.351 -12.628 -22.732 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.493 -11.442 -24.014 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.205 -12.978 -23.570 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.585 -12.220 -25.104 1.00 0.00 H new ATOM 494 N VAL A 33 42.212 -16.207 -23.985 1.00 0.00 N ATOM 495 CA VAL A 33 42.611 -17.348 -23.103 1.00 0.00 C ATOM 496 C VAL A 33 42.114 -17.207 -21.657 1.00 0.00 C ATOM 497 O VAL A 33 41.597 -18.157 -21.068 1.00 0.00 O ATOM 498 CB VAL A 33 44.140 -17.631 -23.069 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.451 -19.005 -23.663 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.956 -16.554 -23.799 1.00 0.00 C ATOM 0 H VAL A 33 42.980 -15.742 -24.468 1.00 0.00 H new ATOM 0 HA VAL A 33 42.115 -18.196 -23.575 1.00 0.00 H new ATOM 0 HB VAL A 33 44.434 -17.613 -22.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.526 -19.181 -23.629 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.938 -19.775 -23.087 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.110 -19.040 -24.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.016 -16.801 -23.744 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.647 -16.509 -24.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.784 -15.586 -23.328 1.00 0.00 H new ATOM 510 N SER A 34 42.311 -16.038 -21.054 1.00 0.00 N ATOM 511 CA SER A 34 41.800 -15.841 -19.689 1.00 0.00 C ATOM 512 C SER A 34 40.303 -16.170 -19.560 1.00 0.00 C ATOM 513 O SER A 34 39.856 -16.744 -18.567 1.00 0.00 O ATOM 514 CB SER A 34 42.093 -14.443 -19.142 1.00 0.00 C ATOM 515 OG SER A 34 41.412 -13.461 -19.914 1.00 0.00 O ATOM 0 H SER A 34 42.798 -15.240 -21.462 1.00 0.00 H new ATOM 0 HA SER A 34 42.348 -16.556 -19.075 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.779 -14.379 -18.100 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.166 -14.253 -19.164 1.00 0.00 H new ATOM 0 HG SER A 34 41.605 -12.570 -19.554 1.00 0.00 H new ATOM 521 N ASP A 35 39.528 -15.816 -20.585 1.00 0.00 N ATOM 522 CA ASP A 35 38.124 -16.246 -20.624 1.00 0.00 C ATOM 523 C ASP A 35 37.961 -17.787 -20.583 1.00 0.00 C ATOM 524 O ASP A 35 37.092 -18.322 -19.889 1.00 0.00 O ATOM 525 CB ASP A 35 37.389 -15.606 -21.815 1.00 0.00 C ATOM 526 CG ASP A 35 36.885 -14.202 -21.491 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.556 -13.480 -20.720 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.829 -13.805 -22.028 1.00 0.00 O ATOM 0 H ASP A 35 39.832 -15.251 -21.378 1.00 0.00 H new ATOM 0 HA ASP A 35 37.651 -15.884 -19.711 1.00 0.00 H new ATOM 0 HB2 ASP A 35 38.060 -15.561 -22.673 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.547 -16.236 -22.102 1.00 0.00 H new ATOM 533 N THR A 36 38.834 -18.504 -21.297 1.00 0.00 N ATOM 534 CA THR A 36 38.838 -19.972 -21.207 1.00 0.00 C ATOM 535 C THR A 36 39.145 -20.491 -19.784 1.00 0.00 C ATOM 536 O THR A 36 38.579 -21.490 -19.340 1.00 0.00 O ATOM 537 CB THR A 36 39.779 -20.580 -22.271 1.00 0.00 C ATOM 538 OG1 THR A 36 39.380 -20.123 -23.555 1.00 0.00 O ATOM 539 CG2 THR A 36 39.751 -22.109 -22.280 1.00 0.00 C ATOM 0 H THR A 36 39.531 -18.108 -21.928 1.00 0.00 H new ATOM 0 HA THR A 36 37.824 -20.310 -21.422 1.00 0.00 H new ATOM 0 HB THR A 36 40.792 -20.263 -22.024 1.00 0.00 H new ATOM 0 HG1 THR A 36 40.160 -19.772 -24.034 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.431 -22.481 -23.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.063 -22.484 -21.305 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.739 -22.453 -22.494 1.00 0.00 H new ATOM 547 N MET A 37 40.039 -19.815 -19.056 1.00 0.00 N ATOM 548 CA MET A 37 40.293 -20.217 -17.661 1.00 0.00 C ATOM 549 C MET A 37 39.091 -19.937 -16.760 1.00 0.00 C ATOM 550 O MET A 37 38.607 -20.815 -16.040 1.00 0.00 O ATOM 551 CB MET A 37 41.527 -19.551 -17.020 1.00 0.00 C ATOM 552 CG MET A 37 42.739 -19.467 -17.947 1.00 0.00 C ATOM 553 SD MET A 37 43.264 -21.120 -18.417 1.00 0.00 S ATOM 554 CE MET A 37 42.730 -21.086 -20.130 1.00 0.00 C ATOM 0 H MET A 37 40.582 -19.018 -19.388 1.00 0.00 H new ATOM 0 HA MET A 37 40.484 -21.288 -17.732 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.258 -18.545 -16.698 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.804 -20.108 -16.125 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.488 -18.889 -18.836 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.555 -18.945 -17.447 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.413 -21.681 -20.736 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.724 -21.499 -20.206 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.728 -20.057 -20.490 1.00 0.00 H new ATOM 564 N ASP A 38 38.640 -18.682 -16.775 1.00 0.00 N ATOM 565 CA ASP A 38 37.412 -18.325 -16.051 1.00 0.00 C ATOM 566 C ASP A 38 36.294 -19.354 -16.190 1.00 0.00 C ATOM 567 O ASP A 38 35.676 -19.767 -15.208 1.00 0.00 O ATOM 568 CB ASP A 38 36.901 -16.949 -16.473 1.00 0.00 C ATOM 569 CG ASP A 38 37.669 -15.824 -15.790 1.00 0.00 C ATOM 570 OD1 ASP A 38 37.411 -15.560 -14.596 1.00 0.00 O ATOM 571 OD2 ASP A 38 38.531 -15.199 -16.443 1.00 0.00 O ATOM 0 H ASP A 38 39.091 -17.910 -17.266 1.00 0.00 H new ATOM 0 HA ASP A 38 37.695 -18.305 -14.999 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.990 -16.845 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.842 -16.865 -16.230 1.00 0.00 H new ATOM 576 N MET A 39 36.049 -19.800 -17.415 1.00 0.00 N ATOM 577 CA MET A 39 34.888 -20.662 -17.616 1.00 0.00 C ATOM 578 C MET A 39 35.141 -22.158 -17.581 1.00 0.00 C ATOM 579 O MET A 39 34.305 -22.914 -17.088 1.00 0.00 O ATOM 580 CB MET A 39 34.073 -20.178 -18.789 1.00 0.00 C ATOM 581 CG MET A 39 33.108 -19.065 -18.335 1.00 0.00 C ATOM 582 SD MET A 39 33.513 -18.459 -16.681 1.00 0.00 S ATOM 583 CE MET A 39 31.897 -17.847 -16.173 1.00 0.00 C ATOM 0 H MET A 39 36.604 -19.595 -18.246 1.00 0.00 H new ATOM 0 HA MET A 39 34.276 -20.554 -16.720 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.733 -19.802 -19.571 1.00 0.00 H new ATOM 0 HB3 MET A 39 33.510 -21.007 -19.218 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.147 -18.238 -19.045 1.00 0.00 H new ATOM 0 HG3 MET A 39 32.086 -19.444 -18.343 1.00 0.00 H new ATOM 0 HE1 MET A 39 31.825 -17.868 -15.086 1.00 0.00 H new ATOM 0 HE2 MET A 39 31.768 -16.824 -16.526 1.00 0.00 H new ATOM 0 HE3 MET A 39 31.118 -18.479 -16.600 1.00 0.00 H new ATOM 593 N LEU A 40 36.265 -22.644 -18.081 1.00 0.00 N ATOM 594 CA LEU A 40 36.555 -24.056 -17.805 1.00 0.00 C ATOM 595 C LEU A 40 36.808 -24.324 -16.304 1.00 0.00 C ATOM 596 O LEU A 40 36.883 -25.472 -15.867 1.00 0.00 O ATOM 597 CB LEU A 40 37.551 -24.706 -18.783 1.00 0.00 C ATOM 598 CG LEU A 40 36.939 -25.078 -20.164 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.410 -25.205 -20.156 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.412 -24.116 -21.244 1.00 0.00 C ATOM 0 H LEU A 40 36.950 -22.135 -18.639 1.00 0.00 H new ATOM 0 HA LEU A 40 35.639 -24.604 -18.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.386 -24.023 -18.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.958 -25.607 -18.324 1.00 0.00 H new ATOM 0 HG LEU A 40 37.309 -26.077 -20.396 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.061 -25.466 -21.155 1.00 0.00 H new ATOM 0 HD12 LEU A 40 35.113 -25.983 -19.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.968 -24.256 -19.854 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.971 -24.397 -22.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.106 -23.102 -20.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.499 -24.159 -21.319 1.00 0.00 H new ATOM 612 N THR A 41 36.894 -23.259 -15.504 1.00 0.00 N ATOM 613 CA THR A 41 36.782 -23.436 -14.055 1.00 0.00 C ATOM 614 C THR A 41 35.317 -23.305 -13.579 1.00 0.00 C ATOM 615 O THR A 41 34.811 -24.150 -12.839 1.00 0.00 O ATOM 616 CB THR A 41 37.689 -22.468 -13.275 1.00 0.00 C ATOM 617 OG1 THR A 41 38.980 -22.440 -13.872 1.00 0.00 O ATOM 618 CG2 THR A 41 37.833 -22.899 -11.814 1.00 0.00 C ATOM 0 H THR A 41 37.035 -22.299 -15.819 1.00 0.00 H new ATOM 0 HA THR A 41 37.124 -24.449 -13.843 1.00 0.00 H new ATOM 0 HB THR A 41 37.232 -21.479 -13.306 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.970 -21.839 -14.646 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.479 -22.196 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.851 -22.913 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 41 38.271 -23.896 -11.770 1.00 0.00 H new ATOM 626 N LYS A 42 34.621 -22.249 -14.018 1.00 0.00 N ATOM 627 CA LYS A 42 33.263 -22.010 -13.497 1.00 0.00 C ATOM 628 C LYS A 42 32.103 -22.514 -14.376 1.00 0.00 C ATOM 629 O LYS A 42 31.116 -23.042 -13.862 1.00 0.00 O ATOM 630 CB LYS A 42 33.054 -20.532 -13.130 1.00 0.00 C ATOM 631 CG LYS A 42 31.852 -20.342 -12.187 1.00 0.00 C ATOM 632 CD LYS A 42 30.893 -19.252 -12.690 1.00 0.00 C ATOM 633 CE LYS A 42 30.095 -19.697 -13.925 1.00 0.00 C ATOM 634 NZ LYS A 42 29.202 -20.822 -13.586 1.00 0.00 N ATOM 0 H LYS A 42 34.954 -21.571 -14.703 1.00 0.00 H new ATOM 0 HA LYS A 42 33.221 -22.628 -12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 42 33.955 -20.145 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 42 32.899 -19.950 -14.039 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.312 -21.284 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.210 -20.079 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 42 30.201 -18.984 -11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.463 -18.355 -12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 42 29.508 -18.861 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 42 30.779 -19.995 -14.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 28.409 -20.850 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 29.733 -21.715 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 28.834 -20.695 -12.622 1.00 0.00 H new ATOM 648 N LEU A 43 32.164 -22.286 -15.689 1.00 0.00 N ATOM 649 CA LEU A 43 31.071 -22.749 -16.547 1.00 0.00 C ATOM 650 C LEU A 43 30.807 -24.261 -16.409 1.00 0.00 C ATOM 651 O LEU A 43 29.673 -24.726 -16.524 1.00 0.00 O ATOM 652 CB LEU A 43 31.343 -22.266 -17.990 1.00 0.00 C ATOM 653 CG LEU A 43 30.720 -23.122 -19.098 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.448 -22.473 -19.626 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.680 -23.257 -20.273 1.00 0.00 C ATOM 0 H LEU A 43 32.925 -21.804 -16.167 1.00 0.00 H new ATOM 0 HA LEU A 43 30.129 -22.307 -16.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.971 -21.246 -18.090 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.421 -22.229 -18.146 1.00 0.00 H new ATOM 0 HG LEU A 43 30.501 -24.099 -18.667 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.021 -23.096 -20.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.728 -22.369 -18.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.683 -21.489 -20.031 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.221 -23.868 -21.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.905 -22.269 -20.674 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.602 -23.731 -19.937 1.00 0.00 H new ATOM 667 N GLY A 44 31.862 -25.025 -16.137 1.00 0.00 N ATOM 668 CA GLY A 44 31.662 -26.459 -15.917 1.00 0.00 C ATOM 669 C GLY A 44 32.559 -26.915 -14.776 1.00 0.00 C ATOM 670 O GLY A 44 32.152 -26.944 -13.614 1.00 0.00 O ATOM 0 H GLY A 44 32.825 -24.697 -16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.618 -26.661 -15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.895 -27.015 -16.825 1.00 0.00 H new ATOM 674 N GLN A 45 33.799 -27.250 -15.116 1.00 0.00 N ATOM 675 CA GLN A 45 34.748 -27.700 -14.077 1.00 0.00 C ATOM 676 C GLN A 45 36.051 -28.227 -14.692 1.00 0.00 C ATOM 677 O GLN A 45 37.143 -27.772 -14.351 1.00 0.00 O ATOM 678 CB GLN A 45 34.200 -28.718 -13.050 1.00 0.00 C ATOM 679 CG GLN A 45 33.487 -29.911 -13.705 1.00 0.00 C ATOM 680 CD GLN A 45 32.787 -30.769 -12.659 1.00 0.00 C ATOM 681 OE1 GLN A 45 33.323 -31.762 -12.171 1.00 0.00 O ATOM 682 NE2 GLN A 45 31.575 -30.393 -12.301 1.00 0.00 N ATOM 0 H GLN A 45 34.171 -27.224 -16.065 1.00 0.00 H new ATOM 0 HA GLN A 45 34.940 -26.793 -13.504 1.00 0.00 H new ATOM 0 HB2 GLN A 45 35.023 -29.086 -12.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 33.506 -28.211 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.759 -29.550 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 45 34.210 -30.516 -14.252 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.153 -29.565 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.060 -30.930 -11.604 1.00 0.00 H new ATOM 691 N THR A 46 35.938 -29.201 -15.596 1.00 0.00 N ATOM 692 CA THR A 46 37.140 -29.807 -16.179 1.00 0.00 C ATOM 693 C THR A 46 36.739 -30.808 -17.312 1.00 0.00 C ATOM 694 O THR A 46 35.546 -31.076 -17.481 1.00 0.00 O ATOM 695 CB THR A 46 38.048 -30.467 -15.113 1.00 0.00 C ATOM 696 OG1 THR A 46 38.997 -31.331 -15.726 1.00 0.00 O ATOM 697 CG2 THR A 46 37.233 -31.273 -14.081 1.00 0.00 C ATOM 0 H THR A 46 35.054 -29.580 -15.934 1.00 0.00 H new ATOM 0 HA THR A 46 37.737 -29.009 -16.621 1.00 0.00 H new ATOM 0 HB THR A 46 38.563 -29.658 -14.595 1.00 0.00 H new ATOM 0 HG1 THR A 46 39.563 -31.737 -15.037 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.909 -31.719 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 46 36.535 -30.610 -13.570 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.678 -32.061 -14.591 1.00 0.00 H new ATOM 705 N TYR A 47 37.677 -31.371 -18.105 1.00 0.00 N ATOM 706 CA TYR A 47 37.213 -32.249 -19.198 1.00 0.00 C ATOM 707 C TYR A 47 37.748 -33.694 -19.067 1.00 0.00 C ATOM 708 O TYR A 47 37.294 -34.445 -18.207 1.00 0.00 O ATOM 709 CB TYR A 47 37.457 -31.649 -20.589 1.00 0.00 C ATOM 710 CG TYR A 47 36.231 -30.948 -21.181 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.291 -31.666 -21.852 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.171 -29.592 -21.210 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.123 -31.060 -22.212 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.000 -28.982 -21.555 1.00 0.00 C ATOM 715 CZ TYR A 47 33.983 -29.721 -22.056 1.00 0.00 C ATOM 716 OH TYR A 47 32.809 -29.114 -22.415 1.00 0.00 O ATOM 0 H TYR A 47 38.686 -31.247 -18.021 1.00 0.00 H new ATOM 0 HA TYR A 47 36.130 -32.317 -19.090 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.278 -30.935 -20.528 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.774 -32.442 -21.267 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.467 -32.703 -22.097 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.041 -29.002 -20.963 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.312 -31.645 -22.620 1.00 0.00 H new ATOM 0 HE2 TYR A 47 34.886 -27.916 -21.429 1.00 0.00 H new ATOM 0 HH TYR A 47 32.246 -29.752 -22.901 1.00 0.00 H new ATOM 726 N THR A 48 38.714 -34.104 -19.901 1.00 0.00 N ATOM 727 CA THR A 48 39.128 -35.517 -19.870 1.00 0.00 C ATOM 728 C THR A 48 40.602 -35.732 -19.496 1.00 0.00 C ATOM 729 O THR A 48 40.916 -36.380 -18.497 1.00 0.00 O ATOM 730 CB THR A 48 38.791 -36.247 -21.184 1.00 0.00 C ATOM 731 OG1 THR A 48 39.434 -35.597 -22.273 1.00 0.00 O ATOM 732 CG2 THR A 48 37.284 -36.256 -21.438 1.00 0.00 C ATOM 0 H THR A 48 39.203 -33.514 -20.574 1.00 0.00 H new ATOM 0 HA THR A 48 38.541 -35.958 -19.065 1.00 0.00 H new ATOM 0 HB THR A 48 39.141 -37.275 -21.096 1.00 0.00 H new ATOM 0 HG1 THR A 48 39.218 -36.065 -23.107 1.00 0.00 H new ATOM 0 HG21 THR A 48 37.076 -36.778 -22.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 36.780 -36.766 -20.617 1.00 0.00 H new ATOM 0 HG23 THR A 48 36.920 -35.231 -21.506 1.00 0.00 H new ATOM 740 N LYS A 49 41.518 -35.218 -20.312 1.00 0.00 N ATOM 741 CA LYS A 49 42.939 -35.521 -20.077 1.00 0.00 C ATOM 742 C LYS A 49 43.851 -34.318 -20.383 1.00 0.00 C ATOM 743 O LYS A 49 43.420 -33.164 -20.361 1.00 0.00 O ATOM 744 CB LYS A 49 43.352 -36.785 -20.863 1.00 0.00 C ATOM 745 CG LYS A 49 44.366 -37.649 -20.099 1.00 0.00 C ATOM 746 CD LYS A 49 44.689 -38.938 -20.867 1.00 0.00 C ATOM 747 CE LYS A 49 45.568 -38.670 -22.096 1.00 0.00 C ATOM 748 NZ LYS A 49 44.737 -38.551 -23.308 1.00 0.00 N ATOM 0 H LYS A 49 41.322 -34.614 -21.111 1.00 0.00 H new ATOM 0 HA LYS A 49 43.069 -35.728 -19.015 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.465 -37.379 -21.081 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.780 -36.489 -21.821 1.00 0.00 H new ATOM 0 HG2 LYS A 49 45.282 -37.081 -19.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.967 -37.899 -19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.197 -39.638 -20.203 1.00 0.00 H new ATOM 0 HD3 LYS A 49 43.761 -39.415 -21.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.140 -37.754 -21.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 46.288 -39.479 -22.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 45.132 -39.151 -24.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.766 -38.857 -23.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 44.726 -37.561 -23.625 1.00 0.00 H new ATOM 762 N ARG A 50 45.128 -34.578 -20.659 1.00 0.00 N ATOM 763 CA ARG A 50 46.027 -33.472 -21.038 1.00 0.00 C ATOM 764 C ARG A 50 45.718 -32.865 -22.424 1.00 0.00 C ATOM 765 O ARG A 50 46.190 -31.780 -22.770 1.00 0.00 O ATOM 766 CB ARG A 50 47.513 -33.845 -20.922 1.00 0.00 C ATOM 767 CG ARG A 50 47.843 -35.160 -21.644 1.00 0.00 C ATOM 768 CD ARG A 50 49.289 -35.173 -22.151 1.00 0.00 C ATOM 769 NE ARG A 50 49.324 -34.805 -23.575 1.00 0.00 N ATOM 770 CZ ARG A 50 49.421 -33.525 -23.908 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.253 -32.723 -23.272 1.00 0.00 N ATOM 772 NH2 ARG A 50 48.697 -33.059 -24.902 1.00 0.00 N ATOM 0 H ARG A 50 45.557 -35.503 -20.632 1.00 0.00 H new ATOM 0 HA ARG A 50 45.822 -32.693 -20.304 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.120 -33.042 -21.339 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.782 -33.934 -19.869 1.00 0.00 H new ATOM 0 HG2 ARG A 50 47.686 -35.998 -20.965 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.161 -35.297 -22.483 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.893 -34.475 -21.571 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.724 -36.163 -22.012 1.00 0.00 H new ATOM 0 HE ARG A 50 49.274 -35.525 -24.296 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.832 -33.085 -22.514 1.00 0.00 H new ATOM 0 HH12 ARG A 50 50.318 -31.740 -23.538 1.00 0.00 H new ATOM 0 HH21 ARG A 50 48.068 -33.681 -25.410 1.00 0.00 H new ATOM 0 HH22 ARG A 50 48.765 -32.076 -25.165 1.00 0.00 H new ATOM 786 N GLU A 51 44.936 -33.569 -23.236 1.00 0.00 N ATOM 787 CA GLU A 51 44.499 -32.968 -24.502 1.00 0.00 C ATOM 788 C GLU A 51 43.431 -31.871 -24.290 1.00 0.00 C ATOM 789 O GLU A 51 43.325 -30.918 -25.063 1.00 0.00 O ATOM 790 CB GLU A 51 44.076 -34.020 -25.536 1.00 0.00 C ATOM 791 CG GLU A 51 45.279 -34.670 -26.240 1.00 0.00 C ATOM 792 CD GLU A 51 46.055 -35.602 -25.320 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.432 -36.462 -24.661 1.00 0.00 O ATOM 794 OE2 GLU A 51 47.297 -35.481 -25.256 1.00 0.00 O ATOM 0 H GLU A 51 44.601 -34.516 -23.057 1.00 0.00 H new ATOM 0 HA GLU A 51 45.369 -32.467 -24.926 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.486 -34.793 -25.043 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.431 -33.554 -26.281 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.930 -35.229 -27.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.945 -33.890 -26.609 1.00 0.00 H new ATOM 801 N THR A 52 42.630 -31.979 -23.232 1.00 0.00 N ATOM 802 CA THR A 52 41.809 -30.821 -22.868 1.00 0.00 C ATOM 803 C THR A 52 42.664 -29.690 -22.263 1.00 0.00 C ATOM 804 O THR A 52 42.320 -28.513 -22.337 1.00 0.00 O ATOM 805 CB THR A 52 40.587 -31.158 -21.999 1.00 0.00 C ATOM 806 OG1 THR A 52 40.430 -32.564 -21.888 1.00 0.00 O ATOM 807 CG2 THR A 52 39.313 -30.601 -22.630 1.00 0.00 C ATOM 0 H THR A 52 42.531 -32.804 -22.640 1.00 0.00 H new ATOM 0 HA THR A 52 41.387 -30.457 -23.805 1.00 0.00 H new ATOM 0 HB THR A 52 40.750 -30.714 -21.017 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.209 -32.939 -22.766 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.457 -30.849 -22.002 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.395 -29.518 -22.720 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.176 -31.038 -23.619 1.00 0.00 H new ATOM 815 N GLU A 53 43.797 -30.038 -21.658 1.00 0.00 N ATOM 816 CA GLU A 53 44.817 -29.000 -21.406 1.00 0.00 C ATOM 817 C GLU A 53 45.194 -28.289 -22.722 1.00 0.00 C ATOM 818 O GLU A 53 45.421 -27.079 -22.764 1.00 0.00 O ATOM 819 CB GLU A 53 46.084 -29.525 -20.715 1.00 0.00 C ATOM 820 CG GLU A 53 46.154 -29.097 -19.244 1.00 0.00 C ATOM 821 CD GLU A 53 47.523 -29.392 -18.655 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.419 -28.526 -18.754 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.713 -30.493 -18.096 1.00 0.00 O ATOM 0 H GLU A 53 44.034 -30.979 -21.343 1.00 0.00 H new ATOM 0 HA GLU A 53 44.359 -28.295 -20.713 1.00 0.00 H new ATOM 0 HB2 GLU A 53 46.107 -30.613 -20.778 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.964 -29.157 -21.242 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.941 -28.031 -19.161 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.388 -29.621 -18.672 1.00 0.00 H new ATOM 830 N ALA A 54 45.265 -29.068 -23.807 1.00 0.00 N ATOM 831 CA ALA A 54 45.340 -28.457 -25.145 1.00 0.00 C ATOM 832 C ALA A 54 44.212 -27.452 -25.383 1.00 0.00 C ATOM 833 O ALA A 54 44.456 -26.339 -25.844 1.00 0.00 O ATOM 834 CB ALA A 54 45.315 -29.473 -26.290 1.00 0.00 C ATOM 0 H ALA A 54 45.272 -30.088 -23.793 1.00 0.00 H new ATOM 0 HA ALA A 54 46.306 -27.951 -25.151 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.374 -28.948 -27.244 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.165 -30.149 -26.195 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.389 -30.046 -26.248 1.00 0.00 H new ATOM 840 N ILE A 55 42.966 -27.844 -25.074 1.00 0.00 N ATOM 841 CA ILE A 55 41.861 -26.848 -25.117 1.00 0.00 C ATOM 842 C ILE A 55 42.315 -25.526 -24.474 1.00 0.00 C ATOM 843 O ILE A 55 42.273 -24.455 -25.080 1.00 0.00 O ATOM 844 CB ILE A 55 40.532 -27.205 -24.373 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.687 -28.270 -25.014 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.659 -25.967 -24.286 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.346 -28.480 -24.302 1.00 0.00 C ATOM 0 H ILE A 55 42.697 -28.790 -24.804 1.00 0.00 H new ATOM 0 HA ILE A 55 41.643 -26.804 -26.184 1.00 0.00 H new ATOM 0 HB ILE A 55 40.861 -27.589 -23.407 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.502 -28.002 -26.054 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.240 -29.210 -25.021 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.732 -26.211 -23.768 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.187 -25.187 -23.737 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.431 -25.612 -25.291 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.782 -29.261 -24.812 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.525 -28.777 -23.269 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.776 -27.551 -24.318 1.00 0.00 H new ATOM 859 N MET A 56 42.719 -25.625 -23.213 1.00 0.00 N ATOM 860 CA MET A 56 43.031 -24.413 -22.446 1.00 0.00 C ATOM 861 C MET A 56 44.171 -23.572 -23.041 1.00 0.00 C ATOM 862 O MET A 56 44.170 -22.345 -22.951 1.00 0.00 O ATOM 863 CB MET A 56 43.282 -24.694 -20.950 1.00 0.00 C ATOM 864 CG MET A 56 42.490 -25.895 -20.401 1.00 0.00 C ATOM 865 SD MET A 56 40.738 -25.751 -20.813 1.00 0.00 S ATOM 866 CE MET A 56 40.145 -27.345 -20.193 1.00 0.00 C ATOM 0 H MET A 56 42.838 -26.502 -22.707 1.00 0.00 H new ATOM 0 HA MET A 56 42.126 -23.811 -22.524 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.346 -24.872 -20.797 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.022 -23.806 -20.375 1.00 0.00 H new ATOM 0 HG2 MET A 56 42.891 -26.820 -20.815 1.00 0.00 H new ATOM 0 HG3 MET A 56 42.610 -25.952 -19.319 1.00 0.00 H new ATOM 0 HE1 MET A 56 39.336 -27.705 -20.829 1.00 0.00 H new ATOM 0 HE2 MET A 56 40.962 -28.066 -20.202 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.779 -27.225 -19.173 1.00 0.00 H new ATOM 876 N LYS A 57 45.142 -24.224 -23.671 1.00 0.00 N ATOM 877 CA LYS A 57 46.257 -23.463 -24.251 1.00 0.00 C ATOM 878 C LYS A 57 45.991 -22.961 -25.683 1.00 0.00 C ATOM 879 O LYS A 57 46.433 -21.877 -26.068 1.00 0.00 O ATOM 880 CB LYS A 57 47.578 -24.239 -24.167 1.00 0.00 C ATOM 881 CG LYS A 57 48.075 -24.319 -22.716 1.00 0.00 C ATOM 882 CD LYS A 57 48.741 -25.666 -22.430 1.00 0.00 C ATOM 883 CE LYS A 57 48.979 -25.839 -20.928 1.00 0.00 C ATOM 884 NZ LYS A 57 49.570 -27.163 -20.665 1.00 0.00 N ATOM 0 H LYS A 57 45.188 -25.236 -23.794 1.00 0.00 H new ATOM 0 HA LYS A 57 46.348 -22.568 -23.635 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.440 -25.245 -24.564 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.331 -23.752 -24.787 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.784 -23.513 -22.527 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.237 -24.173 -22.034 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.111 -26.475 -22.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.689 -25.730 -22.964 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.643 -25.055 -20.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.038 -25.737 -20.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 49.066 -27.618 -19.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 49.488 -27.755 -21.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 50.574 -27.052 -20.416 1.00 0.00 H new ATOM 898 N GLU A 58 45.261 -23.740 -26.478 1.00 0.00 N ATOM 899 CA GLU A 58 44.989 -23.317 -27.867 1.00 0.00 C ATOM 900 C GLU A 58 43.795 -22.345 -28.024 1.00 0.00 C ATOM 901 O GLU A 58 43.666 -21.649 -29.031 1.00 0.00 O ATOM 902 CB GLU A 58 44.878 -24.522 -28.815 1.00 0.00 C ATOM 903 CG GLU A 58 43.551 -25.277 -28.649 1.00 0.00 C ATOM 904 CD GLU A 58 43.584 -26.625 -29.352 1.00 0.00 C ATOM 905 OE1 GLU A 58 44.315 -27.528 -28.892 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.869 -26.792 -30.364 1.00 0.00 O ATOM 0 H GLU A 58 44.856 -24.636 -26.207 1.00 0.00 H new ATOM 0 HA GLU A 58 45.861 -22.733 -28.161 1.00 0.00 H new ATOM 0 HB2 GLU A 58 44.972 -24.180 -29.846 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.707 -25.205 -28.629 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.345 -25.424 -27.589 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.736 -24.675 -29.052 1.00 0.00 H new ATOM 913 N ALA A 59 42.917 -22.307 -27.023 1.00 0.00 N ATOM 914 CA ALA A 59 41.777 -21.381 -27.075 1.00 0.00 C ATOM 915 C ALA A 59 42.150 -19.895 -27.162 1.00 0.00 C ATOM 916 O ALA A 59 41.290 -19.039 -27.361 1.00 0.00 O ATOM 917 CB ALA A 59 40.834 -21.619 -25.895 1.00 0.00 C ATOM 0 H ALA A 59 42.965 -22.888 -26.186 1.00 0.00 H new ATOM 0 HA ALA A 59 41.274 -21.610 -28.014 1.00 0.00 H new ATOM 0 HB1 ALA A 59 39.997 -20.923 -25.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.459 -22.642 -25.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.373 -21.462 -24.961 1.00 0.00 H new ATOM 923 N ARG A 60 43.415 -19.566 -26.926 1.00 0.00 N ATOM 924 CA ARG A 60 43.874 -18.196 -27.314 1.00 0.00 C ATOM 925 C ARG A 60 43.423 -17.807 -28.747 1.00 0.00 C ATOM 926 O ARG A 60 42.797 -16.763 -28.931 1.00 0.00 O ATOM 927 CB ARG A 60 45.382 -18.011 -27.086 1.00 0.00 C ATOM 928 CG ARG A 60 45.900 -16.681 -27.654 1.00 0.00 C ATOM 929 CD ARG A 60 47.425 -16.599 -27.553 1.00 0.00 C ATOM 930 NE ARG A 60 47.919 -15.515 -28.417 1.00 0.00 N ATOM 931 CZ ARG A 60 49.223 -15.409 -28.656 1.00 0.00 C ATOM 932 NH1 ARG A 60 50.107 -15.997 -27.873 1.00 0.00 N ATOM 933 NH2 ARG A 60 49.638 -14.688 -29.678 1.00 0.00 N ATOM 0 H ARG A 60 44.117 -20.169 -26.497 1.00 0.00 H new ATOM 0 HA ARG A 60 43.377 -17.491 -26.647 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.593 -18.054 -26.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 45.921 -18.836 -27.551 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.595 -16.583 -28.696 1.00 0.00 H new ATOM 0 HG3 ARG A 60 45.451 -15.850 -27.111 1.00 0.00 H new ATOM 0 HD2 ARG A 60 47.722 -16.418 -26.520 1.00 0.00 H new ATOM 0 HD3 ARG A 60 47.871 -17.548 -27.852 1.00 0.00 H new ATOM 0 HE ARG A 60 47.266 -14.849 -28.830 1.00 0.00 H new ATOM 0 HH11 ARG A 60 49.794 -16.543 -27.070 1.00 0.00 H new ATOM 0 HH12 ARG A 60 51.104 -15.906 -28.070 1.00 0.00 H new ATOM 0 HH21 ARG A 60 48.961 -14.217 -30.278 1.00 0.00 H new ATOM 0 HH22 ARG A 60 50.636 -14.601 -29.869 1.00 0.00 H new ATOM 1031 N LYS A 67 44.512 -11.926 -30.086 1.00 0.00 N ATOM 1032 CA LYS A 67 44.626 -13.021 -29.110 1.00 0.00 C ATOM 1033 C LYS A 67 43.286 -13.462 -28.503 1.00 0.00 C ATOM 1034 O LYS A 67 43.134 -13.528 -27.282 1.00 0.00 O ATOM 1035 CB LYS A 67 45.613 -12.669 -27.981 1.00 0.00 C ATOM 1036 CG LYS A 67 46.952 -12.122 -28.503 1.00 0.00 C ATOM 1037 CD LYS A 67 47.192 -10.696 -27.992 1.00 0.00 C ATOM 1038 CE LYS A 67 48.498 -10.117 -28.546 1.00 0.00 C ATOM 1039 NZ LYS A 67 48.227 -9.309 -29.750 1.00 0.00 N ATOM 0 HA LYS A 67 45.007 -13.866 -29.683 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.156 -11.929 -27.324 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.800 -13.558 -27.379 1.00 0.00 H new ATOM 0 HG2 LYS A 67 47.766 -12.771 -28.180 1.00 0.00 H new ATOM 0 HG3 LYS A 67 46.953 -12.128 -29.593 1.00 0.00 H new ATOM 0 HD2 LYS A 67 46.357 -10.058 -28.283 1.00 0.00 H new ATOM 0 HD3 LYS A 67 47.227 -10.699 -26.903 1.00 0.00 H new ATOM 0 HE2 LYS A 67 48.982 -9.502 -27.788 1.00 0.00 H new ATOM 0 HE3 LYS A 67 49.188 -10.925 -28.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 49.120 -8.922 -30.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 47.785 -9.907 -30.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 47.585 -8.528 -29.507 1.00 0.00 H new ATOM 1053 N ASN A 68 42.301 -13.785 -29.339 1.00 0.00 N ATOM 1054 CA ASN A 68 41.009 -14.186 -28.777 1.00 0.00 C ATOM 1055 C ASN A 68 40.219 -15.055 -29.739 1.00 0.00 C ATOM 1056 O ASN A 68 40.350 -14.953 -30.961 1.00 0.00 O ATOM 1057 CB ASN A 68 40.104 -13.040 -28.278 1.00 0.00 C ATOM 1058 CG ASN A 68 40.688 -11.631 -28.411 1.00 0.00 C ATOM 1059 OD1 ASN A 68 40.800 -10.886 -27.439 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.027 -11.233 -29.622 1.00 0.00 N ATOM 0 H ASN A 68 42.362 -13.780 -30.357 1.00 0.00 H new ATOM 0 HA ASN A 68 41.296 -14.753 -27.891 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.164 -13.078 -28.828 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.867 -13.218 -27.229 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.390 -10.291 -29.766 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.926 -11.867 -30.414 1.00 0.00 H new ATOM 1067 N ILE A 69 39.370 -15.914 -29.187 1.00 0.00 N ATOM 1068 CA ILE A 69 38.532 -16.717 -30.074 1.00 0.00 C ATOM 1069 C ILE A 69 37.179 -16.090 -30.320 1.00 0.00 C ATOM 1070 O ILE A 69 36.347 -15.898 -29.433 1.00 0.00 O ATOM 1071 CB ILE A 69 38.387 -18.195 -29.746 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.774 -18.443 -28.352 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.755 -18.849 -29.897 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.970 -19.882 -27.868 1.00 0.00 C ATOM 0 H ILE A 69 39.244 -16.070 -28.187 1.00 0.00 H new ATOM 0 HA ILE A 69 39.114 -16.707 -30.996 1.00 0.00 H new ATOM 0 HB ILE A 69 37.682 -18.647 -30.443 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.225 -17.758 -27.634 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.708 -18.216 -28.383 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.678 -19.912 -29.667 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.107 -18.724 -30.921 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.460 -18.380 -29.211 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.519 -19.999 -26.883 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.495 -20.569 -28.568 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.036 -20.104 -27.808 1.00 0.00 H new ATOM 1086 N GLY A 70 36.990 -15.781 -31.577 1.00 0.00 N ATOM 1087 CA GLY A 70 35.758 -15.105 -31.977 1.00 0.00 C ATOM 1088 C GLY A 70 34.612 -16.077 -32.297 1.00 0.00 C ATOM 1089 O GLY A 70 34.574 -17.204 -31.802 1.00 0.00 O ATOM 0 H GLY A 70 37.647 -15.975 -32.332 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.444 -14.433 -31.178 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.958 -14.488 -32.853 1.00 0.00 H new ATOM 1093 N PRO A 71 33.628 -15.589 -33.070 1.00 0.00 N ATOM 1094 CA PRO A 71 32.364 -16.324 -33.287 1.00 0.00 C ATOM 1095 C PRO A 71 32.396 -17.863 -33.195 1.00 0.00 C ATOM 1096 O PRO A 71 31.604 -18.464 -32.467 1.00 0.00 O ATOM 1097 CB PRO A 71 31.893 -15.881 -34.680 1.00 0.00 C ATOM 1098 CG PRO A 71 32.855 -14.802 -35.184 1.00 0.00 C ATOM 1099 CD PRO A 71 33.955 -14.646 -34.138 1.00 0.00 C ATOM 0 HA PRO A 71 31.695 -16.074 -32.463 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.879 -16.729 -35.365 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.876 -15.492 -34.633 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.279 -15.086 -36.147 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.330 -13.858 -35.332 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.934 -14.864 -34.565 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.992 -13.625 -33.759 1.00 0.00 H new ATOM 1107 N GLU A 72 33.265 -18.518 -33.953 1.00 0.00 N ATOM 1108 CA GLU A 72 33.104 -19.969 -34.126 1.00 0.00 C ATOM 1109 C GLU A 72 33.996 -20.898 -33.280 1.00 0.00 C ATOM 1110 O GLU A 72 33.518 -21.916 -32.778 1.00 0.00 O ATOM 1111 CB GLU A 72 33.074 -20.373 -35.606 1.00 0.00 C ATOM 1112 CG GLU A 72 34.416 -20.145 -36.322 1.00 0.00 C ATOM 1113 CD GLU A 72 34.597 -18.688 -36.728 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.100 -18.299 -37.807 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.237 -17.927 -35.971 1.00 0.00 O ATOM 0 H GLU A 72 34.057 -18.099 -34.441 1.00 0.00 H new ATOM 0 HA GLU A 72 32.122 -20.146 -33.689 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.802 -21.426 -35.683 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.296 -19.805 -36.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.234 -20.444 -35.667 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.469 -20.779 -37.207 1.00 0.00 H new ATOM 1122 N GLU A 73 35.286 -20.580 -33.121 1.00 0.00 N ATOM 1123 CA GLU A 73 36.195 -21.548 -32.481 1.00 0.00 C ATOM 1124 C GLU A 73 35.694 -22.123 -31.150 1.00 0.00 C ATOM 1125 O GLU A 73 35.786 -23.323 -30.905 1.00 0.00 O ATOM 1126 CB GLU A 73 37.624 -20.992 -32.347 1.00 0.00 C ATOM 1127 CG GLU A 73 38.542 -21.907 -31.514 1.00 0.00 C ATOM 1128 CD GLU A 73 39.044 -23.088 -32.339 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.093 -22.952 -33.005 1.00 0.00 O ATOM 1130 OE2 GLU A 73 38.394 -24.158 -32.326 1.00 0.00 O ATOM 0 H GLU A 73 35.714 -19.701 -33.411 1.00 0.00 H new ATOM 0 HA GLU A 73 36.215 -22.395 -33.167 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.053 -20.861 -33.340 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.584 -20.006 -31.884 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.391 -21.333 -31.143 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.000 -22.274 -30.643 1.00 0.00 H new ATOM 1137 N TRP A 74 35.177 -21.273 -30.281 1.00 0.00 N ATOM 1138 CA TRP A 74 34.734 -21.756 -28.965 1.00 0.00 C ATOM 1139 C TRP A 74 33.668 -22.878 -29.029 1.00 0.00 C ATOM 1140 O TRP A 74 33.820 -23.940 -28.410 1.00 0.00 O ATOM 1141 CB TRP A 74 34.415 -20.523 -28.093 1.00 0.00 C ATOM 1142 CG TRP A 74 33.830 -20.770 -26.706 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.626 -20.115 -26.438 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.632 -20.560 -25.601 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.682 -19.401 -25.234 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.923 -19.772 -24.688 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.510 -21.506 -25.142 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.050 -20.037 -23.347 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.701 -21.640 -23.799 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.851 -21.050 -22.925 1.00 0.00 C ATOM 0 H TRP A 74 35.052 -20.274 -30.444 1.00 0.00 H new ATOM 0 HA TRP A 74 35.535 -22.300 -28.464 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.334 -19.950 -27.972 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.717 -19.893 -28.645 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.758 -20.154 -27.080 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.987 -18.763 -24.846 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.044 -22.138 -25.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.512 -19.439 -22.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.534 -22.220 -23.430 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.810 -21.383 -21.898 1.00 0.00 H new ATOM 1161 N LEU A 75 32.639 -22.709 -29.862 1.00 0.00 N ATOM 1162 CA LEU A 75 31.687 -23.825 -30.032 1.00 0.00 C ATOM 1163 C LEU A 75 32.271 -25.003 -30.822 1.00 0.00 C ATOM 1164 O LEU A 75 32.126 -26.156 -30.417 1.00 0.00 O ATOM 1165 CB LEU A 75 30.318 -23.470 -30.616 1.00 0.00 C ATOM 1166 CG LEU A 75 29.215 -24.304 -29.936 1.00 0.00 C ATOM 1167 CD1 LEU A 75 27.880 -23.955 -30.485 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.283 -25.797 -30.231 1.00 0.00 C ATOM 0 H LEU A 75 32.443 -21.867 -30.403 1.00 0.00 H new ATOM 0 HA LEU A 75 31.514 -24.116 -28.996 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.119 -22.408 -30.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.314 -23.655 -31.690 1.00 0.00 H new ATOM 0 HG LEU A 75 29.361 -24.089 -28.877 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.115 -24.555 -29.992 1.00 0.00 H new ATOM 0 HD12 LEU A 75 27.680 -22.898 -30.311 1.00 0.00 H new ATOM 0 HD13 LEU A 75 27.863 -24.156 -31.556 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.471 -26.308 -29.713 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.189 -25.960 -31.305 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.238 -26.193 -29.886 1.00 0.00 H new ATOM 1180 N THR A 76 32.897 -24.753 -31.977 1.00 0.00 N ATOM 1181 CA THR A 76 33.525 -25.887 -32.680 1.00 0.00 C ATOM 1182 C THR A 76 34.498 -26.660 -31.780 1.00 0.00 C ATOM 1183 O THR A 76 34.616 -27.879 -31.879 1.00 0.00 O ATOM 1184 CB THR A 76 34.161 -25.562 -34.038 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.150 -25.136 -34.940 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.229 -24.479 -33.946 1.00 0.00 C ATOM 0 H THR A 76 32.984 -23.841 -32.425 1.00 0.00 H new ATOM 0 HA THR A 76 32.681 -26.533 -32.921 1.00 0.00 H new ATOM 0 HB THR A 76 34.646 -26.472 -34.392 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.553 -24.926 -35.808 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.643 -24.291 -34.937 1.00 0.00 H new ATOM 0 HG22 THR A 76 34.785 -23.562 -33.559 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.024 -24.808 -33.277 1.00 0.00 H new ATOM 1194 N LEU A 77 35.170 -25.958 -30.870 1.00 0.00 N ATOM 1195 CA LEU A 77 35.964 -26.657 -29.857 1.00 0.00 C ATOM 1196 C LEU A 77 35.131 -27.581 -28.992 1.00 0.00 C ATOM 1197 O LEU A 77 35.536 -28.698 -28.693 1.00 0.00 O ATOM 1198 CB LEU A 77 36.696 -25.701 -28.916 1.00 0.00 C ATOM 1199 CG LEU A 77 38.199 -25.961 -28.889 1.00 0.00 C ATOM 1200 CD1 LEU A 77 38.887 -24.642 -28.966 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.639 -26.577 -27.584 1.00 0.00 C ATOM 0 H LEU A 77 35.184 -24.940 -30.810 1.00 0.00 H new ATOM 0 HA LEU A 77 36.683 -27.235 -30.438 1.00 0.00 H new ATOM 0 HB2 LEU A 77 36.512 -24.673 -29.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 36.292 -25.805 -27.909 1.00 0.00 H new ATOM 0 HG LEU A 77 38.439 -26.632 -29.714 1.00 0.00 H new ATOM 0 HD11 LEU A 77 39.966 -24.793 -28.949 1.00 0.00 H new ATOM 0 HD12 LEU A 77 38.606 -24.138 -29.891 1.00 0.00 H new ATOM 0 HD13 LEU A 77 38.593 -24.028 -28.115 1.00 0.00 H new ATOM 0 HD21 LEU A 77 39.716 -26.746 -27.606 1.00 0.00 H new ATOM 0 HD22 LEU A 77 38.394 -25.903 -26.763 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.125 -27.527 -27.439 1.00 0.00 H new ATOM 1213 N CYS A 78 33.978 -27.109 -28.537 1.00 0.00 N ATOM 1214 CA CYS A 78 33.116 -28.012 -27.768 1.00 0.00 C ATOM 1215 C CYS A 78 32.701 -29.259 -28.570 1.00 0.00 C ATOM 1216 O CYS A 78 32.669 -30.368 -28.040 1.00 0.00 O ATOM 1217 CB CYS A 78 31.924 -27.315 -27.117 1.00 0.00 C ATOM 1218 SG CYS A 78 31.172 -28.438 -25.896 1.00 0.00 S ATOM 0 H CYS A 78 33.627 -26.161 -28.673 1.00 0.00 H new ATOM 0 HA CYS A 78 33.734 -28.363 -26.941 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.246 -26.393 -26.632 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.191 -27.037 -27.874 1.00 0.00 H new ATOM 0 HG CYS A 78 31.372 -27.974 -24.698 1.00 0.00 H new ATOM 1224 N SER A 79 32.436 -29.102 -29.867 1.00 0.00 N ATOM 1225 CA SER A 79 32.184 -30.296 -30.694 1.00 0.00 C ATOM 1226 C SER A 79 33.446 -31.163 -30.882 1.00 0.00 C ATOM 1227 O SER A 79 33.434 -32.375 -30.654 1.00 0.00 O ATOM 1228 CB SER A 79 31.531 -29.955 -32.038 1.00 0.00 C ATOM 1229 OG SER A 79 32.412 -29.168 -32.832 1.00 0.00 O ATOM 0 H SER A 79 32.390 -28.208 -30.356 1.00 0.00 H new ATOM 0 HA SER A 79 31.466 -30.896 -30.135 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.275 -30.872 -32.568 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.600 -29.413 -31.870 1.00 0.00 H new ATOM 0 HG SER A 79 33.051 -28.705 -32.251 1.00 0.00 H new ATOM 1235 N LYS A 80 34.548 -30.526 -31.282 1.00 0.00 N ATOM 1236 CA LYS A 80 35.821 -31.252 -31.404 1.00 0.00 C ATOM 1237 C LYS A 80 36.250 -31.968 -30.115 1.00 0.00 C ATOM 1238 O LYS A 80 36.728 -33.101 -30.135 1.00 0.00 O ATOM 1239 CB LYS A 80 36.963 -30.307 -31.816 1.00 0.00 C ATOM 1240 CG LYS A 80 36.859 -29.851 -33.280 1.00 0.00 C ATOM 1241 CD LYS A 80 37.339 -28.401 -33.471 1.00 0.00 C ATOM 1242 CE LYS A 80 38.686 -28.137 -32.790 1.00 0.00 C ATOM 1243 NZ LYS A 80 39.172 -26.784 -33.128 1.00 0.00 N ATOM 0 H LYS A 80 34.591 -29.536 -31.522 1.00 0.00 H new ATOM 0 HA LYS A 80 35.638 -32.004 -32.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.957 -29.432 -31.166 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.918 -30.810 -31.664 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.453 -30.515 -33.909 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.825 -29.937 -33.613 1.00 0.00 H new ATOM 0 HD2 LYS A 80 37.425 -28.187 -34.536 1.00 0.00 H new ATOM 0 HD3 LYS A 80 36.591 -27.718 -33.068 1.00 0.00 H new ATOM 0 HE2 LYS A 80 38.581 -28.234 -31.709 1.00 0.00 H new ATOM 0 HE3 LYS A 80 39.415 -28.883 -33.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 40.170 -26.694 -32.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 39.082 -26.629 -34.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 38.606 -26.075 -32.619 1.00 0.00 H new ATOM 1257 N TRP A 81 36.083 -31.289 -28.987 1.00 0.00 N ATOM 1258 CA TRP A 81 36.527 -31.863 -27.713 1.00 0.00 C ATOM 1259 C TRP A 81 35.534 -32.843 -27.088 1.00 0.00 C ATOM 1260 O TRP A 81 35.918 -33.786 -26.396 1.00 0.00 O ATOM 1261 CB TRP A 81 36.925 -30.760 -26.721 1.00 0.00 C ATOM 1262 CG TRP A 81 38.414 -30.487 -26.801 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.035 -30.099 -27.985 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.303 -31.256 -26.112 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.338 -30.631 -28.064 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.460 -31.374 -26.876 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.903 -32.281 -25.304 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.155 -32.542 -26.831 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.681 -33.374 -25.181 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.814 -33.490 -25.913 1.00 0.00 C ATOM 0 H TRP A 81 35.656 -30.365 -28.922 1.00 0.00 H new ATOM 0 HA TRP A 81 37.409 -32.459 -27.949 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.370 -29.848 -26.940 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.658 -31.060 -25.708 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.580 -29.475 -28.740 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.027 -30.507 -28.805 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.968 -32.216 -24.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 41.971 -32.717 -27.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.400 -34.160 -24.496 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.457 -34.346 -25.767 1.00 0.00 H new ATOM 1281 N VAL A 82 34.247 -32.611 -27.305 1.00 0.00 N ATOM 1282 CA VAL A 82 33.257 -33.618 -26.878 1.00 0.00 C ATOM 1283 C VAL A 82 33.463 -34.946 -27.629 1.00 0.00 C ATOM 1284 O VAL A 82 33.430 -36.026 -27.038 1.00 0.00 O ATOM 1285 CB VAL A 82 31.801 -33.109 -26.939 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.795 -34.250 -26.746 1.00 0.00 C ATOM 1287 CG2 VAL A 82 31.564 -32.062 -25.844 1.00 0.00 C ATOM 0 H VAL A 82 33.865 -31.778 -27.752 1.00 0.00 H new ATOM 0 HA VAL A 82 33.436 -33.812 -25.820 1.00 0.00 H new ATOM 0 HB VAL A 82 31.652 -32.670 -27.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.781 -33.853 -26.795 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.932 -34.993 -27.532 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.956 -34.716 -25.774 1.00 0.00 H new ATOM 0 HG21 VAL A 82 30.534 -31.709 -25.895 1.00 0.00 H new ATOM 0 HG22 VAL A 82 31.746 -32.510 -24.867 1.00 0.00 H new ATOM 0 HG23 VAL A 82 32.243 -31.222 -25.990 1.00 0.00 H new