USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 103:sc= 1.02 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -6.16! K(o=-5.1!,f=-4.2) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -8.16! C(o=-8.2!,f=-12!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc= -4.48! C(o=-4.5!,f=-6.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.79! K(o=-3.8!,f=-1.5) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -51:sc= 0.721 USER MOD Single : A 58 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 60 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= -0.228 (180deg=-2.35) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.719 K(o=-0.72,f=-1.8) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.245 -6.351 6.027 1.00 0.00 N ATOM 145 CA ASP A 10 5.276 -5.642 5.209 1.00 0.00 C ATOM 146 C ASP A 10 4.972 -4.285 5.847 1.00 0.00 C ATOM 147 O ASP A 10 5.563 -3.927 6.864 1.00 0.00 O ATOM 148 CB ASP A 10 3.964 -6.422 5.108 1.00 0.00 C ATOM 149 CG ASP A 10 3.881 -7.399 3.933 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.648 -8.385 3.959 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.053 -7.135 3.034 1.00 0.00 O ATOM 0 HA ASP A 10 5.701 -5.521 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.817 -6.978 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.141 -5.711 5.029 1.00 0.00 H new ATOM 156 N GLN A 11 4.050 -3.567 5.223 1.00 0.00 N ATOM 157 CA GLN A 11 3.660 -2.257 5.718 1.00 0.00 C ATOM 158 C GLN A 11 2.355 -1.808 5.057 1.00 0.00 C ATOM 159 O GLN A 11 2.139 -2.054 3.872 1.00 0.00 O ATOM 160 CB GLN A 11 4.772 -1.231 5.488 1.00 0.00 C ATOM 161 CG GLN A 11 4.516 0.044 6.294 1.00 0.00 C ATOM 162 CD GLN A 11 5.398 1.191 5.801 1.00 0.00 C ATOM 163 OE1 GLN A 11 6.532 1.361 6.219 1.00 0.00 O ATOM 164 NE2 GLN A 11 4.818 1.968 4.891 1.00 0.00 N ATOM 0 H GLN A 11 3.562 -3.867 4.379 1.00 0.00 H new ATOM 0 HA GLN A 11 3.495 -2.330 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.732 -1.660 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.835 -0.989 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.466 0.326 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.713 -0.143 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.866 1.770 4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.326 2.762 4.500 1.00 0.00 H new ATOM 173 N VAL A 12 1.520 -1.156 5.853 1.00 0.00 N ATOM 174 CA VAL A 12 0.242 -0.670 5.361 1.00 0.00 C ATOM 175 C VAL A 12 0.374 0.806 4.983 1.00 0.00 C ATOM 176 O VAL A 12 1.371 1.447 5.311 1.00 0.00 O ATOM 177 CB VAL A 12 -0.851 -0.926 6.401 1.00 0.00 C ATOM 178 CG1 VAL A 12 -2.207 -1.147 5.728 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.486 -2.108 7.301 1.00 0.00 C ATOM 0 H VAL A 12 1.704 -0.953 6.836 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.052 -1.211 4.461 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.930 -0.039 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.966 -1.327 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.475 -0.262 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.147 -2.010 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.280 -2.268 8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.366 -3.005 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.448 -1.894 7.821 1.00 0.00 H new ATOM 189 N LEU A 13 -0.645 1.301 4.298 1.00 0.00 N ATOM 190 CA LEU A 13 -0.655 2.690 3.871 1.00 0.00 C ATOM 191 C LEU A 13 -2.103 3.166 3.732 1.00 0.00 C ATOM 192 O LEU A 13 -2.979 2.397 3.343 1.00 0.00 O ATOM 193 CB LEU A 13 0.174 2.866 2.598 1.00 0.00 C ATOM 194 CG LEU A 13 -0.568 2.646 1.278 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.818 3.975 0.561 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.178 1.648 0.389 1.00 0.00 C ATOM 0 H LEU A 13 -1.470 0.766 4.028 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.181 3.322 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.589 3.874 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.016 2.175 2.638 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.542 2.212 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.347 3.790 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.421 4.624 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.135 4.459 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.371 1.510 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.175 2.030 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.262 0.692 0.906 1.00 0.00 H new ATOM 208 N GLU A 14 -2.309 4.434 4.058 1.00 0.00 N ATOM 209 CA GLU A 14 -3.635 5.022 3.975 1.00 0.00 C ATOM 210 C GLU A 14 -3.783 5.817 2.676 1.00 0.00 C ATOM 211 O GLU A 14 -3.027 6.754 2.427 1.00 0.00 O ATOM 212 CB GLU A 14 -3.920 5.904 5.192 1.00 0.00 C ATOM 213 CG GLU A 14 -3.175 5.394 6.426 1.00 0.00 C ATOM 214 CD GLU A 14 -3.578 6.181 7.675 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.801 6.345 7.872 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.654 6.601 8.404 1.00 0.00 O ATOM 0 H GLU A 14 -1.580 5.070 4.380 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.369 4.216 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.620 6.930 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.992 5.920 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.390 4.336 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.100 5.481 6.268 1.00 0.00 H new ATOM 223 N ILE A 15 -4.762 5.411 1.880 1.00 0.00 N ATOM 224 CA ILE A 15 -5.019 6.073 0.612 1.00 0.00 C ATOM 225 C ILE A 15 -6.377 6.775 0.675 1.00 0.00 C ATOM 226 O ILE A 15 -7.334 6.236 1.227 1.00 0.00 O ATOM 227 CB ILE A 15 -4.893 5.081 -0.545 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.641 4.215 -0.391 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.926 5.803 -1.893 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.715 2.978 -1.289 1.00 0.00 C ATOM 0 H ILE A 15 -5.387 4.632 2.089 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.270 6.842 0.425 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.754 4.413 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.757 4.800 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.533 3.908 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.835 5.074 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.869 6.340 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.098 6.510 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.813 2.380 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.587 2.383 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.798 3.289 -2.330 1.00 0.00 H new ATOM 242 N VAL A 16 -6.416 7.968 0.100 1.00 0.00 N ATOM 243 CA VAL A 16 -7.642 8.750 0.084 1.00 0.00 C ATOM 244 C VAL A 16 -7.994 9.107 -1.362 1.00 0.00 C ATOM 245 O VAL A 16 -7.545 10.127 -1.880 1.00 0.00 O ATOM 246 CB VAL A 16 -7.490 9.979 0.982 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.761 10.831 0.965 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.122 9.572 2.410 1.00 0.00 C ATOM 0 H VAL A 16 -5.620 8.412 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.471 8.169 0.488 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.675 10.585 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.626 11.698 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.962 11.165 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.602 10.238 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.020 10.464 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.905 8.934 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.178 9.027 2.401 1.00 0.00 H new ATOM 258 N PRO A 17 -8.816 8.222 -1.989 1.00 0.00 N ATOM 259 CA PRO A 17 -9.234 8.433 -3.364 1.00 0.00 C ATOM 260 C PRO A 17 -10.293 9.533 -3.452 1.00 0.00 C ATOM 261 O PRO A 17 -10.608 10.180 -2.454 1.00 0.00 O ATOM 262 CB PRO A 17 -9.742 7.079 -3.833 1.00 0.00 C ATOM 263 CG PRO A 17 -10.023 6.280 -2.571 1.00 0.00 C ATOM 264 CD PRO A 17 -9.367 7.002 -1.406 1.00 0.00 C ATOM 0 HA PRO A 17 -8.422 8.781 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.644 7.187 -4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.001 6.578 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.097 6.189 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.628 5.268 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.090 7.229 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.586 6.392 -0.952 1.00 0.00 H new ATOM 272 N SER A 18 -10.816 9.712 -4.657 1.00 0.00 N ATOM 273 CA SER A 18 -11.834 10.723 -4.888 1.00 0.00 C ATOM 274 C SER A 18 -12.204 10.762 -6.372 1.00 0.00 C ATOM 275 O SER A 18 -13.361 10.993 -6.721 1.00 0.00 O ATOM 276 CB SER A 18 -11.358 12.101 -4.423 1.00 0.00 C ATOM 277 OG SER A 18 -12.274 13.131 -4.782 1.00 0.00 O ATOM 0 H SER A 18 -10.554 9.174 -5.483 1.00 0.00 H new ATOM 0 HA SER A 18 -12.717 10.459 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.227 12.093 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.383 12.314 -4.861 1.00 0.00 H new ATOM 0 HG SER A 18 -11.935 13.995 -4.466 1.00 0.00 H new ATOM 283 N ASN A 19 -11.200 10.533 -7.206 1.00 0.00 N ATOM 284 CA ASN A 19 -11.406 10.539 -8.645 1.00 0.00 C ATOM 285 C ASN A 19 -11.403 9.100 -9.162 1.00 0.00 C ATOM 286 O ASN A 19 -10.575 8.290 -8.747 1.00 0.00 O ATOM 287 CB ASN A 19 -10.286 11.302 -9.357 1.00 0.00 C ATOM 288 CG ASN A 19 -10.478 12.813 -9.221 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.584 13.319 -9.124 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.341 13.504 -9.217 1.00 0.00 N ATOM 0 H ASN A 19 -10.242 10.342 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.360 11.026 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.322 11.015 -8.937 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.268 11.028 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.362 14.520 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.448 13.018 -9.302 1.00 0.00 H new ATOM 297 N GLU A 20 -12.337 8.826 -10.061 1.00 0.00 N ATOM 298 CA GLU A 20 -12.452 7.498 -10.639 1.00 0.00 C ATOM 299 C GLU A 20 -11.099 7.038 -11.185 1.00 0.00 C ATOM 300 O GLU A 20 -10.771 5.854 -11.124 1.00 0.00 O ATOM 301 CB GLU A 20 -13.523 7.468 -11.732 1.00 0.00 C ATOM 302 CG GLU A 20 -14.888 7.094 -11.150 1.00 0.00 C ATOM 303 CD GLU A 20 -15.725 8.343 -10.871 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.962 9.097 -11.841 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.110 8.517 -9.695 1.00 0.00 O ATOM 0 H GLU A 20 -13.021 9.501 -10.403 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.759 6.806 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.584 8.444 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.242 6.749 -12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.419 6.444 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.752 6.529 -10.228 1.00 0.00 H new ATOM 312 N GLU A 21 -10.349 7.998 -11.707 1.00 0.00 N ATOM 313 CA GLU A 21 -9.039 7.706 -12.263 1.00 0.00 C ATOM 314 C GLU A 21 -8.139 7.074 -11.199 1.00 0.00 C ATOM 315 O GLU A 21 -7.333 6.197 -11.504 1.00 0.00 O ATOM 316 CB GLU A 21 -8.397 8.966 -12.846 1.00 0.00 C ATOM 317 CG GLU A 21 -6.882 8.800 -12.976 1.00 0.00 C ATOM 318 CD GLU A 21 -6.162 9.332 -11.735 1.00 0.00 C ATOM 319 OE1 GLU A 21 -5.970 10.566 -11.677 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.821 8.493 -10.873 1.00 0.00 O ATOM 0 H GLU A 21 -10.624 8.979 -11.756 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.163 6.992 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.828 9.179 -13.824 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.619 9.821 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.639 7.747 -13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.529 9.330 -13.860 1.00 0.00 H new ATOM 327 N GLN A 22 -8.309 7.544 -9.972 1.00 0.00 N ATOM 328 CA GLN A 22 -7.523 7.036 -8.861 1.00 0.00 C ATOM 329 C GLN A 22 -7.976 5.622 -8.491 1.00 0.00 C ATOM 330 O GLN A 22 -7.150 4.743 -8.256 1.00 0.00 O ATOM 331 CB GLN A 22 -7.610 7.972 -7.653 1.00 0.00 C ATOM 332 CG GLN A 22 -6.639 9.146 -7.799 1.00 0.00 C ATOM 333 CD GLN A 22 -6.800 10.136 -6.643 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.428 9.857 -5.636 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.198 11.304 -6.844 1.00 0.00 N ATOM 0 H GLN A 22 -8.980 8.271 -9.723 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.479 6.993 -9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.628 8.348 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.383 7.418 -6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.615 8.775 -7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.817 9.655 -8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.688 11.472 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.246 12.032 -6.131 1.00 0.00 H new ATOM 344 N ILE A 23 -9.289 5.448 -8.453 1.00 0.00 N ATOM 345 CA ILE A 23 -9.863 4.156 -8.116 1.00 0.00 C ATOM 346 C ILE A 23 -9.651 3.189 -9.283 1.00 0.00 C ATOM 347 O ILE A 23 -9.460 1.992 -9.074 1.00 0.00 O ATOM 348 CB ILE A 23 -11.329 4.310 -7.706 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.446 4.747 -6.243 1.00 0.00 C ATOM 350 CG2 ILE A 23 -12.115 3.029 -7.987 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.904 5.014 -5.866 1.00 0.00 C ATOM 0 H ILE A 23 -9.972 6.180 -8.650 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.357 3.730 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.773 5.098 -8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.035 3.973 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.854 5.647 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.154 3.166 -7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.073 2.802 -9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.680 2.204 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.959 5.323 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.305 5.805 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.489 4.105 -6.007 1.00 0.00 H new ATOM 363 N LYS A 24 -9.690 3.745 -10.485 1.00 0.00 N ATOM 364 CA LYS A 24 -9.503 2.946 -11.684 1.00 0.00 C ATOM 365 C LYS A 24 -8.050 2.474 -11.757 1.00 0.00 C ATOM 366 O LYS A 24 -7.732 1.543 -12.496 1.00 0.00 O ATOM 367 CB LYS A 24 -9.960 3.724 -12.922 1.00 0.00 C ATOM 368 CG LYS A 24 -11.438 3.463 -13.218 1.00 0.00 C ATOM 369 CD LYS A 24 -11.767 3.776 -14.679 1.00 0.00 C ATOM 370 CE LYS A 24 -11.552 2.546 -15.564 1.00 0.00 C ATOM 371 NZ LYS A 24 -12.254 2.711 -16.857 1.00 0.00 N ATOM 0 H LYS A 24 -9.848 4.738 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.127 2.053 -11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.800 4.791 -12.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.356 3.434 -13.782 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.678 2.422 -13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.058 4.075 -12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.801 4.110 -14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.139 4.595 -15.030 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.486 2.397 -15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.919 1.655 -15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.099 1.868 -17.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.273 2.831 -16.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.884 3.550 -17.348 1.00 0.00 H new ATOM 385 N ASN A 25 -7.206 3.137 -10.980 1.00 0.00 N ATOM 386 CA ASN A 25 -5.794 2.796 -10.947 1.00 0.00 C ATOM 387 C ASN A 25 -5.582 1.613 -10.002 1.00 0.00 C ATOM 388 O ASN A 25 -4.813 0.701 -10.306 1.00 0.00 O ATOM 389 CB ASN A 25 -4.956 3.969 -10.432 1.00 0.00 C ATOM 390 CG ASN A 25 -4.473 4.847 -11.587 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.809 4.398 -12.507 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.843 6.121 -11.490 1.00 0.00 N ATOM 0 H ASN A 25 -7.473 3.909 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.483 2.549 -11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.548 4.567 -9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.099 3.591 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.571 6.788 -12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.399 6.431 -10.693 1.00 0.00 H new ATOM 399 N LEU A 26 -6.276 1.664 -8.874 1.00 0.00 N ATOM 400 CA LEU A 26 -6.173 0.608 -7.882 1.00 0.00 C ATOM 401 C LEU A 26 -6.564 -0.726 -8.523 1.00 0.00 C ATOM 402 O LEU A 26 -5.742 -1.636 -8.621 1.00 0.00 O ATOM 403 CB LEU A 26 -6.993 0.957 -6.639 1.00 0.00 C ATOM 404 CG LEU A 26 -6.468 0.408 -5.312 1.00 0.00 C ATOM 405 CD1 LEU A 26 -6.399 1.508 -4.252 1.00 0.00 C ATOM 406 CD2 LEU A 26 -7.301 -0.788 -4.845 1.00 0.00 C ATOM 0 H LEU A 26 -6.912 2.421 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.144 0.508 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.054 2.043 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.009 0.591 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.451 0.049 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.022 1.090 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.730 2.299 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.395 1.920 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.906 -1.159 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.337 -0.479 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.253 -1.579 -5.593 1.00 0.00 H new ATOM 418 N LEU A 27 -7.819 -0.800 -8.940 1.00 0.00 N ATOM 419 CA LEU A 27 -8.329 -2.007 -9.568 1.00 0.00 C ATOM 420 C LEU A 27 -7.317 -2.507 -10.601 1.00 0.00 C ATOM 421 O LEU A 27 -6.929 -3.673 -10.582 1.00 0.00 O ATOM 422 CB LEU A 27 -9.726 -1.763 -10.143 1.00 0.00 C ATOM 423 CG LEU A 27 -10.897 -2.032 -9.197 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.779 -0.790 -9.048 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.700 -3.253 -9.650 1.00 0.00 C ATOM 0 H LEU A 27 -8.498 -0.044 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.448 -2.799 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.784 -0.727 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.848 -2.389 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.492 -2.260 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.604 -1.009 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.186 0.031 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.176 -0.506 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.526 -3.422 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.094 -3.079 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.053 -4.130 -9.662 1.00 0.00 H new ATOM 437 N GLN A 28 -6.919 -1.597 -11.478 1.00 0.00 N ATOM 438 CA GLN A 28 -5.958 -1.930 -12.517 1.00 0.00 C ATOM 439 C GLN A 28 -4.666 -2.462 -11.895 1.00 0.00 C ATOM 440 O GLN A 28 -4.039 -3.371 -12.438 1.00 0.00 O ATOM 441 CB GLN A 28 -5.680 -0.722 -13.414 1.00 0.00 C ATOM 442 CG GLN A 28 -5.372 -1.162 -14.847 1.00 0.00 C ATOM 443 CD GLN A 28 -3.977 -0.703 -15.274 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.964 -1.132 -14.744 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.979 0.191 -16.259 1.00 0.00 N ATOM 0 H GLN A 28 -7.244 -0.630 -11.491 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.385 -2.714 -13.142 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.543 -0.057 -13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.839 -0.154 -13.015 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.440 -2.247 -14.920 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.118 -0.749 -15.526 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.862 0.508 -16.658 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.097 0.560 -16.615 1.00 0.00 H new ATOM 454 N LEU A 29 -4.304 -1.872 -10.765 1.00 0.00 N ATOM 455 CA LEU A 29 -3.097 -2.275 -10.064 1.00 0.00 C ATOM 456 C LEU A 29 -3.266 -3.704 -9.548 1.00 0.00 C ATOM 457 O LEU A 29 -2.532 -4.604 -9.951 1.00 0.00 O ATOM 458 CB LEU A 29 -2.750 -1.262 -8.971 1.00 0.00 C ATOM 459 CG LEU A 29 -1.791 -1.751 -7.883 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.407 -2.044 -8.465 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.726 -0.758 -6.722 1.00 0.00 C ATOM 0 H LEU A 29 -4.826 -1.118 -10.318 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.245 -2.281 -10.743 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.313 -0.382 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.676 -0.941 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.178 -2.688 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.256 -2.390 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.490 -2.816 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.001 -1.136 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.038 -1.130 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.376 0.207 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.718 -0.642 -6.286 1.00 0.00 H new ATOM 473 N GLU A 30 -4.237 -3.869 -8.661 1.00 0.00 N ATOM 474 CA GLU A 30 -4.511 -5.175 -8.085 1.00 0.00 C ATOM 475 C GLU A 30 -4.472 -6.252 -9.170 1.00 0.00 C ATOM 476 O GLU A 30 -4.203 -7.417 -8.883 1.00 0.00 O ATOM 477 CB GLU A 30 -5.855 -5.179 -7.355 1.00 0.00 C ATOM 478 CG GLU A 30 -5.843 -6.172 -6.189 1.00 0.00 C ATOM 479 CD GLU A 30 -7.149 -6.967 -6.132 1.00 0.00 C ATOM 480 OE1 GLU A 30 -8.151 -6.379 -5.672 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.115 -8.144 -6.550 1.00 0.00 O ATOM 0 H GLU A 30 -4.844 -3.120 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.736 -5.399 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.074 -4.178 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.651 -5.441 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.001 -6.856 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.699 -5.635 -5.251 1.00 0.00 H new ATOM 488 N ALA A 31 -4.747 -5.825 -10.395 1.00 0.00 N ATOM 489 CA ALA A 31 -4.746 -6.739 -11.524 1.00 0.00 C ATOM 490 C ALA A 31 -3.306 -7.126 -11.860 1.00 0.00 C ATOM 491 O ALA A 31 -3.002 -8.304 -12.041 1.00 0.00 O ATOM 492 CB ALA A 31 -5.466 -6.089 -12.707 1.00 0.00 C ATOM 0 H ALA A 31 -4.972 -4.858 -10.629 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.284 -7.654 -11.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.465 -6.774 -13.554 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.494 -5.860 -12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.952 -5.169 -12.985 1.00 0.00 H new ATOM 498 N GLN A 32 -2.455 -6.113 -11.935 1.00 0.00 N ATOM 499 CA GLN A 32 -1.053 -6.332 -12.246 1.00 0.00 C ATOM 500 C GLN A 32 -0.557 -7.617 -11.578 1.00 0.00 C ATOM 501 O GLN A 32 -0.499 -7.701 -10.353 1.00 0.00 O ATOM 502 CB GLN A 32 -0.203 -5.132 -11.827 1.00 0.00 C ATOM 503 CG GLN A 32 -0.085 -4.119 -12.967 1.00 0.00 C ATOM 504 CD GLN A 32 0.830 -4.644 -14.075 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.784 -5.802 -14.456 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.661 -3.730 -14.568 1.00 0.00 N ATOM 0 H GLN A 32 -2.710 -5.137 -11.785 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.953 -6.444 -13.326 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.648 -4.653 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.790 -5.471 -11.532 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.074 -3.909 -13.376 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.307 -3.177 -12.582 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.647 -2.778 -14.203 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.313 -3.981 -15.311 1.00 0.00 H new ATOM 584 N LEU A 37 -1.741 -6.526 -4.405 1.00 0.00 N ATOM 585 CA LEU A 37 -1.919 -5.993 -3.065 1.00 0.00 C ATOM 586 C LEU A 37 -3.287 -6.420 -2.528 1.00 0.00 C ATOM 587 O LEU A 37 -4.133 -6.896 -3.284 1.00 0.00 O ATOM 588 CB LEU A 37 -1.701 -4.479 -3.057 1.00 0.00 C ATOM 589 CG LEU A 37 -0.735 -3.935 -4.111 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.496 -3.318 -5.286 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.257 -2.950 -3.490 1.00 0.00 C ATOM 0 HA LEU A 37 -1.169 -6.403 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.667 -3.992 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.333 -4.190 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.155 -4.770 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.786 -2.939 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.127 -4.076 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.118 -2.498 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.932 -2.579 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.287 -2.114 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.834 -3.455 -2.715 1.00 0.00 H new ATOM 603 N ASP A 38 -3.462 -6.235 -1.229 1.00 0.00 N ATOM 604 CA ASP A 38 -4.712 -6.596 -0.582 1.00 0.00 C ATOM 605 C ASP A 38 -5.245 -5.391 0.196 1.00 0.00 C ATOM 606 O ASP A 38 -4.643 -4.970 1.183 1.00 0.00 O ATOM 607 CB ASP A 38 -4.510 -7.746 0.406 1.00 0.00 C ATOM 608 CG ASP A 38 -5.756 -8.591 0.679 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.286 -9.153 -0.305 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.151 -8.657 1.862 1.00 0.00 O ATOM 0 H ASP A 38 -2.758 -5.839 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.415 -6.906 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.724 -8.398 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.154 -7.335 1.351 1.00 0.00 H new ATOM 615 N PHE A 39 -6.367 -4.871 -0.276 1.00 0.00 N ATOM 616 CA PHE A 39 -6.988 -3.722 0.363 1.00 0.00 C ATOM 617 C PHE A 39 -8.056 -4.164 1.366 1.00 0.00 C ATOM 618 O PHE A 39 -9.064 -4.756 0.983 1.00 0.00 O ATOM 619 CB PHE A 39 -7.651 -2.899 -0.741 1.00 0.00 C ATOM 620 CG PHE A 39 -6.940 -2.986 -2.094 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.753 -2.349 -2.280 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.496 -3.698 -3.111 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.094 -2.429 -3.535 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.837 -3.778 -4.365 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.649 -3.142 -4.551 1.00 0.00 C ATOM 0 H PHE A 39 -6.864 -5.224 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.237 -3.146 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.681 -3.234 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.690 -1.855 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.312 -1.782 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.439 -4.203 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.151 -1.923 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.279 -4.344 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.147 -3.203 -5.505 1.00 0.00 H new ATOM 635 N TRP A 40 -7.799 -3.859 2.629 1.00 0.00 N ATOM 636 CA TRP A 40 -8.726 -4.217 3.689 1.00 0.00 C ATOM 637 C TRP A 40 -10.114 -3.708 3.295 1.00 0.00 C ATOM 638 O TRP A 40 -11.079 -4.470 3.287 1.00 0.00 O ATOM 639 CB TRP A 40 -8.251 -3.675 5.039 1.00 0.00 C ATOM 640 CG TRP A 40 -6.870 -4.180 5.461 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.984 -4.868 4.729 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.250 -4.006 6.753 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.842 -5.150 5.451 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.009 -4.610 6.721 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.722 -3.361 7.909 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.137 -4.628 7.816 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.838 -3.389 8.995 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.586 -3.991 8.979 1.00 0.00 C ATOM 0 H TRP A 40 -6.962 -3.368 2.942 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.774 -5.299 3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.230 -2.586 4.995 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.977 -3.949 5.805 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.143 -5.165 3.703 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.026 -5.661 5.115 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.689 -2.882 7.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.170 -5.107 7.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.152 -2.908 9.910 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.962 -3.968 9.860 1.00 0.00 H new ATOM 659 N LYS A 41 -10.170 -2.423 2.976 1.00 0.00 N ATOM 660 CA LYS A 41 -11.423 -1.803 2.582 1.00 0.00 C ATOM 661 C LYS A 41 -11.310 -1.306 1.139 1.00 0.00 C ATOM 662 O LYS A 41 -11.047 -0.128 0.904 1.00 0.00 O ATOM 663 CB LYS A 41 -11.818 -0.712 3.579 1.00 0.00 C ATOM 664 CG LYS A 41 -10.934 0.526 3.416 1.00 0.00 C ATOM 665 CD LYS A 41 -10.822 1.297 4.733 1.00 0.00 C ATOM 666 CE LYS A 41 -12.143 1.984 5.081 1.00 0.00 C ATOM 667 NZ LYS A 41 -12.837 1.256 6.166 1.00 0.00 N ATOM 0 H LYS A 41 -9.367 -1.794 2.983 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.233 -2.532 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.863 -0.439 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.730 -1.095 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.941 0.227 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.349 1.175 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.541 0.615 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.030 2.042 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.955 3.013 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.781 2.027 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.732 1.736 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.034 0.282 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.234 1.237 7.013 1.00 0.00 H new ATOM 681 N SER A 42 -11.515 -2.228 0.212 1.00 0.00 N ATOM 682 CA SER A 42 -11.439 -1.899 -1.202 1.00 0.00 C ATOM 683 C SER A 42 -12.009 -0.500 -1.444 1.00 0.00 C ATOM 684 O SER A 42 -13.093 -0.176 -0.961 1.00 0.00 O ATOM 685 CB SER A 42 -12.186 -2.931 -2.049 1.00 0.00 C ATOM 686 OG SER A 42 -13.531 -3.107 -1.612 1.00 0.00 O ATOM 0 H SER A 42 -11.734 -3.204 0.411 1.00 0.00 H new ATOM 0 HA SER A 42 -10.391 -1.915 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.182 -2.615 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.662 -3.886 -2.003 1.00 0.00 H new ATOM 0 HG SER A 42 -13.975 -3.772 -2.179 1.00 0.00 H new ATOM 692 N PRO A 43 -11.234 0.311 -2.212 1.00 0.00 N ATOM 693 CA PRO A 43 -11.651 1.668 -2.524 1.00 0.00 C ATOM 694 C PRO A 43 -12.760 1.672 -3.578 1.00 0.00 C ATOM 695 O PRO A 43 -12.634 2.323 -4.614 1.00 0.00 O ATOM 696 CB PRO A 43 -10.386 2.370 -2.990 1.00 0.00 C ATOM 697 CG PRO A 43 -9.410 1.268 -3.364 1.00 0.00 C ATOM 698 CD PRO A 43 -9.945 -0.039 -2.801 1.00 0.00 C ATOM 0 HA PRO A 43 -12.084 2.183 -1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.590 3.017 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.977 3.002 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.305 1.203 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.420 1.481 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.058 -0.790 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.268 -0.455 -2.054 1.00 0.00 H new ATOM 706 N THR A 44 -13.821 0.938 -3.277 1.00 0.00 N ATOM 707 CA THR A 44 -14.951 0.849 -4.186 1.00 0.00 C ATOM 708 C THR A 44 -15.386 2.245 -4.635 1.00 0.00 C ATOM 709 O THR A 44 -15.368 2.551 -5.826 1.00 0.00 O ATOM 710 CB THR A 44 -16.061 0.062 -3.485 1.00 0.00 C ATOM 711 OG1 THR A 44 -15.801 -1.294 -3.836 1.00 0.00 O ATOM 712 CG2 THR A 44 -17.443 0.343 -4.079 1.00 0.00 C ATOM 0 H THR A 44 -13.922 0.400 -2.417 1.00 0.00 H new ATOM 0 HA THR A 44 -14.683 0.318 -5.099 1.00 0.00 H new ATOM 0 HB THR A 44 -16.065 0.309 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.474 -1.874 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.194 -0.240 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.672 1.404 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.449 0.065 -5.133 1.00 0.00 H new ATOM 720 N THR A 45 -15.767 3.054 -3.657 1.00 0.00 N ATOM 721 CA THR A 45 -16.205 4.411 -3.937 1.00 0.00 C ATOM 722 C THR A 45 -15.237 5.422 -3.321 1.00 0.00 C ATOM 723 O THR A 45 -14.453 5.077 -2.438 1.00 0.00 O ATOM 724 CB THR A 45 -17.641 4.557 -3.431 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.504 4.628 -2.014 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.475 3.295 -3.661 1.00 0.00 C ATOM 0 H THR A 45 -15.781 2.796 -2.670 1.00 0.00 H new ATOM 0 HA THR A 45 -16.200 4.616 -5.008 1.00 0.00 H new ATOM 0 HB THR A 45 -18.117 5.402 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.950 3.883 -1.701 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.485 3.453 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.516 3.076 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.018 2.456 -3.136 1.00 0.00 H new ATOM 734 N PRO A 46 -15.325 6.683 -3.823 1.00 0.00 N ATOM 735 CA PRO A 46 -14.466 7.746 -3.331 1.00 0.00 C ATOM 736 C PRO A 46 -14.924 8.228 -1.953 1.00 0.00 C ATOM 737 O PRO A 46 -16.121 8.273 -1.673 1.00 0.00 O ATOM 738 CB PRO A 46 -14.537 8.832 -4.393 1.00 0.00 C ATOM 739 CG PRO A 46 -15.787 8.537 -5.207 1.00 0.00 C ATOM 740 CD PRO A 46 -16.241 7.127 -4.869 1.00 0.00 C ATOM 0 HA PRO A 46 -13.437 7.420 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.592 9.821 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.648 8.820 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.572 9.257 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.578 8.626 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.274 7.116 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.192 6.475 -5.741 1.00 0.00 H new ATOM 748 N GLY A 47 -13.946 8.573 -1.128 1.00 0.00 N ATOM 749 CA GLY A 47 -14.234 9.049 0.215 1.00 0.00 C ATOM 750 C GLY A 47 -13.832 8.010 1.262 1.00 0.00 C ATOM 751 O GLY A 47 -13.466 8.361 2.383 1.00 0.00 O ATOM 0 H GLY A 47 -12.954 8.533 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.698 9.981 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.297 9.270 0.306 1.00 0.00 H new ATOM 755 N GLU A 48 -13.915 6.749 0.861 1.00 0.00 N ATOM 756 CA GLU A 48 -13.564 5.656 1.751 1.00 0.00 C ATOM 757 C GLU A 48 -12.084 5.299 1.596 1.00 0.00 C ATOM 758 O GLU A 48 -11.699 4.643 0.630 1.00 0.00 O ATOM 759 CB GLU A 48 -14.452 4.436 1.499 1.00 0.00 C ATOM 760 CG GLU A 48 -14.583 4.154 0.001 1.00 0.00 C ATOM 761 CD GLU A 48 -14.939 2.688 -0.252 1.00 0.00 C ATOM 762 OE1 GLU A 48 -14.265 1.827 0.353 1.00 0.00 O ATOM 763 OE2 GLU A 48 -15.879 2.461 -1.046 1.00 0.00 O ATOM 0 H GLU A 48 -14.220 6.461 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.733 5.981 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.031 3.565 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.439 4.605 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.351 4.798 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.647 4.396 -0.502 1.00 0.00 H new ATOM 770 N THR A 49 -11.296 5.745 2.562 1.00 0.00 N ATOM 771 CA THR A 49 -9.867 5.481 2.545 1.00 0.00 C ATOM 772 C THR A 49 -9.605 3.977 2.448 1.00 0.00 C ATOM 773 O THR A 49 -10.454 3.169 2.822 1.00 0.00 O ATOM 774 CB THR A 49 -9.251 6.127 3.787 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.783 5.371 4.872 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.774 7.544 4.031 1.00 0.00 C ATOM 0 H THR A 49 -11.620 6.288 3.362 1.00 0.00 H new ATOM 0 HA THR A 49 -9.394 5.919 1.666 1.00 0.00 H new ATOM 0 HB THR A 49 -8.166 6.153 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.104 4.743 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.305 7.956 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.536 8.173 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.855 7.514 4.170 1.00 0.00 H new ATOM 784 N ALA A 50 -8.424 3.645 1.946 1.00 0.00 N ATOM 785 CA ALA A 50 -8.039 2.252 1.796 1.00 0.00 C ATOM 786 C ALA A 50 -6.777 1.985 2.620 1.00 0.00 C ATOM 787 O ALA A 50 -5.999 2.900 2.883 1.00 0.00 O ATOM 788 CB ALA A 50 -7.845 1.934 0.312 1.00 0.00 C ATOM 0 H ALA A 50 -7.721 4.317 1.638 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.823 1.594 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.556 0.889 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.777 2.113 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.063 2.573 -0.098 1.00 0.00 H new ATOM 794 N HIS A 51 -6.615 0.727 3.003 1.00 0.00 N ATOM 795 CA HIS A 51 -5.462 0.328 3.790 1.00 0.00 C ATOM 796 C HIS A 51 -5.015 -1.074 3.373 1.00 0.00 C ATOM 797 O HIS A 51 -5.559 -2.071 3.849 1.00 0.00 O ATOM 798 CB HIS A 51 -5.763 0.433 5.287 1.00 0.00 C ATOM 799 CG HIS A 51 -6.737 1.531 5.641 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.945 1.288 6.271 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.669 2.880 5.449 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.567 2.445 6.443 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.775 3.430 5.933 1.00 0.00 N ATOM 0 H HIS A 51 -7.263 -0.029 2.783 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.633 1.008 3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.163 -0.520 5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.830 0.602 5.824 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.297 0.374 6.555 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.853 3.411 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.533 2.583 6.906 1.00 0.00 H new ATOM 812 N VAL A 52 -4.030 -1.108 2.488 1.00 0.00 N ATOM 813 CA VAL A 52 -3.504 -2.371 2.001 1.00 0.00 C ATOM 814 C VAL A 52 -2.124 -2.616 2.615 1.00 0.00 C ATOM 815 O VAL A 52 -1.343 -1.681 2.784 1.00 0.00 O ATOM 816 CB VAL A 52 -3.488 -2.377 0.471 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.181 -0.982 -0.079 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.491 -3.408 -0.063 1.00 0.00 C ATOM 0 H VAL A 52 -3.582 -0.280 2.095 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.147 -3.196 2.309 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.482 -2.662 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.175 -1.014 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.944 -0.281 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.205 -0.656 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.499 -3.392 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.491 -3.166 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.772 -4.401 0.287 1.00 0.00 H new ATOM 828 N ARG A 53 -1.867 -3.877 2.931 1.00 0.00 N ATOM 829 CA ARG A 53 -0.595 -4.255 3.522 1.00 0.00 C ATOM 830 C ARG A 53 0.429 -4.561 2.426 1.00 0.00 C ATOM 831 O ARG A 53 0.629 -5.720 2.066 1.00 0.00 O ATOM 832 CB ARG A 53 -0.749 -5.482 4.423 1.00 0.00 C ATOM 833 CG ARG A 53 0.270 -5.455 5.564 1.00 0.00 C ATOM 834 CD ARG A 53 1.066 -6.762 5.619 1.00 0.00 C ATOM 835 NE ARG A 53 0.164 -7.890 5.942 1.00 0.00 N ATOM 836 CZ ARG A 53 0.580 -9.067 6.431 1.00 0.00 C ATOM 837 NH1 ARG A 53 1.883 -9.276 6.656 1.00 0.00 N ATOM 838 NH2 ARG A 53 -0.309 -10.033 6.695 1.00 0.00 N ATOM 0 H ARG A 53 -2.518 -4.649 2.789 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.247 -3.417 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.759 -5.512 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.617 -6.389 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.952 -4.615 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.244 -5.298 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.556 -6.940 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.852 -6.687 6.370 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.836 -7.764 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.560 -8.540 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.199 -10.172 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.302 -9.873 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.007 -10.929 7.067 1.00 0.00 H new ATOM 852 N VAL A 54 1.051 -3.502 1.929 1.00 0.00 N ATOM 853 CA VAL A 54 2.050 -3.642 0.884 1.00 0.00 C ATOM 854 C VAL A 54 3.412 -3.926 1.519 1.00 0.00 C ATOM 855 O VAL A 54 3.726 -3.395 2.583 1.00 0.00 O ATOM 856 CB VAL A 54 2.053 -2.399 -0.008 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.072 -1.121 0.834 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.227 -2.429 -0.988 1.00 0.00 C ATOM 0 H VAL A 54 0.882 -2.543 2.231 1.00 0.00 H new ATOM 0 HA VAL A 54 1.811 -4.487 0.239 1.00 0.00 H new ATOM 0 HB VAL A 54 1.132 -2.402 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.074 -0.252 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.188 -1.092 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.968 -1.108 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.205 -1.534 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.164 -2.462 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.150 -3.313 -1.621 1.00 0.00 H new ATOM 868 N PRO A 55 4.204 -4.784 0.822 1.00 0.00 N ATOM 869 CA PRO A 55 5.525 -5.144 1.308 1.00 0.00 C ATOM 870 C PRO A 55 6.518 -4.000 1.094 1.00 0.00 C ATOM 871 O PRO A 55 6.555 -3.397 0.023 1.00 0.00 O ATOM 872 CB PRO A 55 5.896 -6.403 0.541 1.00 0.00 C ATOM 873 CG PRO A 55 4.980 -6.438 -0.671 1.00 0.00 C ATOM 874 CD PRO A 55 3.864 -5.432 -0.441 1.00 0.00 C ATOM 0 HA PRO A 55 5.543 -5.328 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.943 -6.382 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.760 -7.291 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.535 -6.192 -1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.570 -7.438 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.809 -4.709 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.893 -5.924 -0.385 1.00 0.00 H new ATOM 882 N PHE A 56 7.299 -3.735 2.132 1.00 0.00 N ATOM 883 CA PHE A 56 8.289 -2.674 2.072 1.00 0.00 C ATOM 884 C PHE A 56 9.128 -2.778 0.797 1.00 0.00 C ATOM 885 O PHE A 56 9.481 -1.765 0.196 1.00 0.00 O ATOM 886 CB PHE A 56 9.205 -2.847 3.287 1.00 0.00 C ATOM 887 CG PHE A 56 9.901 -1.559 3.729 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.058 -1.170 3.130 1.00 0.00 C ATOM 889 CD2 PHE A 56 9.361 -0.802 4.722 1.00 0.00 C ATOM 890 CE1 PHE A 56 11.705 0.025 3.541 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.008 0.394 5.134 1.00 0.00 C ATOM 892 CZ PHE A 56 11.165 0.782 4.535 1.00 0.00 C ATOM 0 H PHE A 56 7.266 -4.237 3.019 1.00 0.00 H new ATOM 0 HA PHE A 56 7.794 -1.703 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.618 -3.235 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.962 -3.596 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.485 -1.771 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.441 -1.110 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.624 0.333 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.581 0.995 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.656 1.692 4.848 1.00 0.00 H new ATOM 902 N VAL A 57 9.425 -4.015 0.421 1.00 0.00 N ATOM 903 CA VAL A 57 10.215 -4.265 -0.772 1.00 0.00 C ATOM 904 C VAL A 57 9.407 -3.865 -2.008 1.00 0.00 C ATOM 905 O VAL A 57 9.970 -3.658 -3.082 1.00 0.00 O ATOM 906 CB VAL A 57 10.669 -5.726 -0.801 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.511 -6.667 -0.464 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.286 -6.080 -2.156 1.00 0.00 C ATOM 0 H VAL A 57 9.132 -4.854 0.922 1.00 0.00 H new ATOM 0 HA VAL A 57 11.120 -3.657 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 57 11.437 -5.854 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.861 -7.699 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.134 -6.438 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.711 -6.535 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.601 -7.124 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.548 -5.927 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.150 -5.441 -2.340 1.00 0.00 H new ATOM 918 N ASN A 58 8.100 -3.767 -1.815 1.00 0.00 N ATOM 919 CA ASN A 58 7.208 -3.395 -2.901 1.00 0.00 C ATOM 920 C ASN A 58 6.441 -2.129 -2.514 1.00 0.00 C ATOM 921 O ASN A 58 5.449 -1.781 -3.152 1.00 0.00 O ATOM 922 CB ASN A 58 6.188 -4.501 -3.177 1.00 0.00 C ATOM 923 CG ASN A 58 5.649 -4.403 -4.606 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.405 -3.330 -5.134 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.476 -5.580 -5.201 1.00 0.00 N ATOM 0 H ASN A 58 7.637 -3.939 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 58 7.812 -3.230 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.652 -5.475 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.364 -4.427 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.119 -5.621 -6.156 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.700 -6.441 -4.703 1.00 0.00 H new ATOM 932 N VAL A 59 6.931 -1.474 -1.471 1.00 0.00 N ATOM 933 CA VAL A 59 6.304 -0.255 -0.991 1.00 0.00 C ATOM 934 C VAL A 59 6.674 0.904 -1.920 1.00 0.00 C ATOM 935 O VAL A 59 5.904 1.849 -2.078 1.00 0.00 O ATOM 936 CB VAL A 59 6.696 -0.002 0.466 1.00 0.00 C ATOM 937 CG1 VAL A 59 6.758 1.497 0.765 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.736 -0.712 1.423 1.00 0.00 C ATOM 0 H VAL A 59 7.755 -1.765 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 59 5.218 -0.352 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 59 7.692 -0.416 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.039 1.649 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.498 1.967 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.781 1.945 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.037 -0.516 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.723 -0.341 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.763 -1.785 1.235 1.00 0.00 H new ATOM 948 N GLN A 60 7.855 0.791 -2.510 1.00 0.00 N ATOM 949 CA GLN A 60 8.338 1.817 -3.419 1.00 0.00 C ATOM 950 C GLN A 60 7.523 1.806 -4.713 1.00 0.00 C ATOM 951 O GLN A 60 6.847 2.783 -5.034 1.00 0.00 O ATOM 952 CB GLN A 60 9.829 1.635 -3.709 1.00 0.00 C ATOM 953 CG GLN A 60 10.470 2.956 -4.138 1.00 0.00 C ATOM 954 CD GLN A 60 10.788 3.831 -2.924 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.200 3.703 -1.863 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.751 4.724 -3.138 1.00 0.00 N ATOM 0 H GLN A 60 8.491 0.005 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 60 8.210 2.788 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.332 1.255 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.962 0.890 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.385 2.756 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.797 3.490 -4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.203 4.778 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.038 5.354 -2.389 1.00 0.00 H new ATOM 965 N ALA A 61 7.612 0.691 -5.423 1.00 0.00 N ATOM 966 CA ALA A 61 6.891 0.540 -6.675 1.00 0.00 C ATOM 967 C ALA A 61 5.476 1.102 -6.515 1.00 0.00 C ATOM 968 O ALA A 61 4.962 1.764 -7.414 1.00 0.00 O ATOM 969 CB ALA A 61 6.890 -0.933 -7.090 1.00 0.00 C ATOM 0 H ALA A 61 8.173 -0.117 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 61 7.381 1.102 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.349 -1.046 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.917 -1.275 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.404 -1.528 -6.317 1.00 0.00 H new ATOM 975 N VAL A 62 4.888 0.816 -5.362 1.00 0.00 N ATOM 976 CA VAL A 62 3.544 1.284 -5.073 1.00 0.00 C ATOM 977 C VAL A 62 3.575 2.794 -4.828 1.00 0.00 C ATOM 978 O VAL A 62 2.737 3.528 -5.347 1.00 0.00 O ATOM 979 CB VAL A 62 2.958 0.500 -3.896 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.529 0.952 -3.592 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.013 -1.007 -4.160 1.00 0.00 C ATOM 0 H VAL A 62 5.318 0.266 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 62 2.887 1.106 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 62 3.568 0.709 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.137 0.379 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.529 2.012 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.901 0.787 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.591 -1.541 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.438 -1.241 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.049 -1.314 -4.303 1.00 0.00 H new ATOM 991 N LYS A 63 4.552 3.212 -4.037 1.00 0.00 N ATOM 992 CA LYS A 63 4.704 4.621 -3.716 1.00 0.00 C ATOM 993 C LYS A 63 4.831 5.424 -5.013 1.00 0.00 C ATOM 994 O LYS A 63 4.364 6.558 -5.093 1.00 0.00 O ATOM 995 CB LYS A 63 5.872 4.828 -2.749 1.00 0.00 C ATOM 996 CG LYS A 63 5.397 4.766 -1.295 1.00 0.00 C ATOM 997 CD LYS A 63 4.753 6.087 -0.872 1.00 0.00 C ATOM 998 CE LYS A 63 4.733 6.224 0.651 1.00 0.00 C ATOM 999 NZ LYS A 63 6.110 6.169 1.194 1.00 0.00 N ATOM 0 H LYS A 63 5.246 2.600 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 63 3.820 4.990 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.631 4.064 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.342 5.793 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.680 3.954 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.241 4.543 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.304 6.920 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.735 6.140 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.262 7.166 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.132 5.426 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.224 6.899 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.282 5.231 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.792 6.338 0.428 1.00 0.00 H new ATOM 1013 N VAL A 64 5.465 4.802 -5.996 1.00 0.00 N ATOM 1014 CA VAL A 64 5.658 5.443 -7.286 1.00 0.00 C ATOM 1015 C VAL A 64 4.335 5.442 -8.055 1.00 0.00 C ATOM 1016 O VAL A 64 4.023 6.400 -8.761 1.00 0.00 O ATOM 1017 CB VAL A 64 6.792 4.756 -8.047 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.707 5.055 -9.545 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.156 5.163 -7.484 1.00 0.00 C ATOM 0 H VAL A 64 5.852 3.861 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 64 5.956 6.483 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 64 6.681 3.680 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.525 4.554 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.755 4.693 -9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.780 6.131 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.945 4.660 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.279 6.242 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.216 4.877 -6.434 1.00 0.00 H new ATOM 1029 N PHE A 65 3.594 4.358 -7.891 1.00 0.00 N ATOM 1030 CA PHE A 65 2.311 4.219 -8.562 1.00 0.00 C ATOM 1031 C PHE A 65 1.347 5.327 -8.134 1.00 0.00 C ATOM 1032 O PHE A 65 0.828 6.062 -8.972 1.00 0.00 O ATOM 1033 CB PHE A 65 1.733 2.866 -8.144 1.00 0.00 C ATOM 1034 CG PHE A 65 0.519 2.429 -8.967 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.677 2.046 -10.262 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.719 2.422 -8.402 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.450 1.641 -11.026 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.846 2.017 -9.165 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.687 1.634 -10.461 1.00 0.00 C ATOM 0 H PHE A 65 3.856 3.566 -7.303 1.00 0.00 H new ATOM 0 HA PHE A 65 2.445 4.288 -9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.511 2.107 -8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.449 2.912 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.660 2.050 -10.710 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.844 2.725 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.325 1.339 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.829 2.013 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.544 1.324 -11.041 1.00 0.00 H new ATOM 1049 N LEU A 66 1.136 5.412 -6.828 1.00 0.00 N ATOM 1050 CA LEU A 66 0.242 6.417 -6.278 1.00 0.00 C ATOM 1051 C LEU A 66 0.616 7.789 -6.845 1.00 0.00 C ATOM 1052 O LEU A 66 -0.213 8.457 -7.462 1.00 0.00 O ATOM 1053 CB LEU A 66 0.248 6.362 -4.750 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.532 5.206 -4.118 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.365 4.381 -3.193 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.781 5.718 -3.398 1.00 0.00 C ATOM 0 H LEU A 66 1.569 4.801 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.787 6.216 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.283 6.304 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.159 7.299 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.868 4.543 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.213 3.566 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.197 3.970 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.751 5.018 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.317 4.877 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.488 6.414 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.429 6.228 -4.111 1.00 0.00 H new ATOM 1068 N GLU A 67 1.864 8.169 -6.614 1.00 0.00 N ATOM 1069 CA GLU A 67 2.357 9.449 -7.094 1.00 0.00 C ATOM 1070 C GLU A 67 2.070 9.602 -8.589 1.00 0.00 C ATOM 1071 O GLU A 67 1.653 10.669 -9.039 1.00 0.00 O ATOM 1072 CB GLU A 67 3.851 9.604 -6.805 1.00 0.00 C ATOM 1073 CG GLU A 67 4.210 11.068 -6.541 1.00 0.00 C ATOM 1074 CD GLU A 67 5.108 11.621 -7.649 1.00 0.00 C ATOM 1075 OE1 GLU A 67 6.342 11.484 -7.503 1.00 0.00 O ATOM 1076 OE2 GLU A 67 4.540 12.170 -8.619 1.00 0.00 O ATOM 0 H GLU A 67 2.548 7.613 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 67 1.832 10.241 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.123 8.998 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.429 9.231 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.299 11.663 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.717 11.154 -5.580 1.00 0.00 H new ATOM 1083 N SER A 68 2.302 8.521 -9.318 1.00 0.00 N ATOM 1084 CA SER A 68 2.074 8.522 -10.753 1.00 0.00 C ATOM 1085 C SER A 68 0.617 8.886 -11.050 1.00 0.00 C ATOM 1086 O SER A 68 0.338 9.621 -11.996 1.00 0.00 O ATOM 1087 CB SER A 68 2.416 7.163 -11.366 1.00 0.00 C ATOM 1088 OG SER A 68 2.869 7.284 -12.712 1.00 0.00 O ATOM 0 H SER A 68 2.646 7.638 -8.942 1.00 0.00 H new ATOM 0 HA SER A 68 2.729 9.268 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.186 6.678 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.537 6.520 -11.336 1.00 0.00 H new ATOM 0 HG SER A 68 3.079 6.395 -13.068 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.273 8.354 -10.225 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.693 8.614 -10.388 1.00 0.00 C ATOM 1096 C GLN A 69 -2.096 9.868 -9.610 1.00 0.00 C ATOM 1097 O GLN A 69 -3.260 10.031 -9.248 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.525 7.406 -9.950 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.219 7.026 -8.500 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.213 5.984 -7.984 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.416 6.191 -7.967 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.646 4.856 -7.566 1.00 0.00 N ATOM 0 H GLN A 69 -0.038 7.744 -9.442 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.892 8.787 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.586 7.634 -10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.315 6.559 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.205 6.632 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.260 7.915 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.633 4.749 -7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.225 4.098 -7.203 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.111 10.722 -9.376 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.347 11.957 -8.648 1.00 0.00 C ATOM 1113 C GLY A 70 -2.390 11.752 -7.546 1.00 0.00 C ATOM 1114 O GLY A 70 -3.343 12.522 -7.439 1.00 0.00 O ATOM 0 H GLY A 70 -0.147 10.583 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.413 12.309 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.687 12.730 -9.337 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.172 10.712 -6.756 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.080 10.397 -5.666 1.00 0.00 C ATOM 1120 C ILE A 71 -2.465 10.861 -4.344 1.00 0.00 C ATOM 1121 O ILE A 71 -1.321 11.312 -4.312 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.445 8.911 -5.686 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.679 8.638 -4.824 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.253 8.047 -5.270 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.432 7.401 -5.319 1.00 0.00 C ATOM 0 H ILE A 71 -1.380 10.076 -6.849 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.020 10.935 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.700 8.636 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.377 8.493 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.341 9.504 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.540 6.996 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.425 8.212 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.943 8.317 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.305 7.230 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.753 7.558 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.775 6.532 -5.273 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.252 10.734 -3.285 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.798 11.135 -1.964 1.00 0.00 C ATOM 1139 C ALA A 72 -2.891 9.940 -1.014 1.00 0.00 C ATOM 1140 O ALA A 72 -3.977 9.410 -0.781 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.625 12.329 -1.482 1.00 0.00 C ATOM 0 H ALA A 72 -4.200 10.359 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.755 11.451 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.285 12.631 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.503 13.160 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.677 12.048 -1.435 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.738 9.550 -0.490 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.676 8.427 0.430 1.00 0.00 C ATOM 1149 C TYR A 73 -0.957 8.817 1.724 1.00 0.00 C ATOM 1150 O TYR A 73 -0.656 9.989 1.941 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.866 7.342 -0.282 1.00 0.00 C ATOM 1152 CG TYR A 73 0.227 7.887 -1.204 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.116 8.535 -2.373 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.556 7.727 -0.867 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.913 9.047 -3.240 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.584 8.240 -1.734 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.213 8.874 -2.879 1.00 0.00 C ATOM 1158 OH TYR A 73 3.185 9.357 -3.697 1.00 0.00 O ATOM 0 H TYR A 73 -0.840 9.992 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.679 8.093 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.407 6.695 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.545 6.721 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.156 8.658 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.824 7.217 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.658 9.557 -4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.628 8.124 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 73 4.064 9.161 -3.311 1.00 0.00 H new ATOM 1168 N SER A 74 -0.702 7.812 2.548 1.00 0.00 N ATOM 1169 CA SER A 74 -0.024 8.034 3.813 1.00 0.00 C ATOM 1170 C SER A 74 0.589 6.726 4.316 1.00 0.00 C ATOM 1171 O SER A 74 0.066 5.647 4.043 1.00 0.00 O ATOM 1172 CB SER A 74 -0.981 8.609 4.858 1.00 0.00 C ATOM 1173 OG SER A 74 -0.293 9.331 5.875 1.00 0.00 O ATOM 0 H SER A 74 -0.953 6.841 2.364 1.00 0.00 H new ATOM 0 HA SER A 74 0.772 8.761 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.698 9.268 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.551 7.798 5.312 1.00 0.00 H new ATOM 0 HG SER A 74 -0.940 9.683 6.521 1.00 0.00 H new ATOM 1179 N ILE A 75 1.688 6.865 5.043 1.00 0.00 N ATOM 1180 CA ILE A 75 2.377 5.708 5.587 1.00 0.00 C ATOM 1181 C ILE A 75 2.008 5.546 7.063 1.00 0.00 C ATOM 1182 O ILE A 75 2.361 6.386 7.889 1.00 0.00 O ATOM 1183 CB ILE A 75 3.883 5.814 5.337 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.186 5.894 3.840 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.633 4.664 6.014 1.00 0.00 C ATOM 1186 CD1 ILE A 75 3.937 7.306 3.306 1.00 0.00 C ATOM 0 H ILE A 75 2.118 7.762 5.268 1.00 0.00 H new ATOM 0 HA ILE A 75 2.056 4.800 5.077 1.00 0.00 H new ATOM 0 HB ILE A 75 4.240 6.740 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.223 5.610 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.562 5.182 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.701 4.763 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.454 4.696 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.279 3.714 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.160 7.336 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.893 7.577 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.580 8.012 3.831 1.00 0.00 H new ATOM 1198 N MET A 76 1.302 4.463 7.349 1.00 0.00 N ATOM 1199 CA MET A 76 0.880 4.181 8.710 1.00 0.00 C ATOM 1200 C MET A 76 2.009 3.526 9.509 1.00 0.00 C ATOM 1201 O MET A 76 2.839 4.217 10.098 1.00 0.00 O ATOM 1202 CB MET A 76 -0.334 3.251 8.688 1.00 0.00 C ATOM 1203 CG MET A 76 -0.636 2.709 10.085 1.00 0.00 C ATOM 1204 SD MET A 76 -2.398 2.707 10.372 1.00 0.00 S ATOM 1205 CE MET A 76 -2.429 2.295 12.109 1.00 0.00 C ATOM 0 H MET A 76 1.011 3.769 6.660 1.00 0.00 H new ATOM 0 HA MET A 76 0.618 5.123 9.191 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.202 3.790 8.308 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.149 2.422 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.242 1.698 10.185 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.138 3.321 10.837 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.462 2.252 12.454 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.954 1.326 12.262 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.889 3.056 12.673 1.00 0.00 H new ATOM 1215 N ILE A 77 2.005 2.201 9.502 1.00 0.00 N ATOM 1216 CA ILE A 77 3.018 1.445 10.219 1.00 0.00 C ATOM 1217 C ILE A 77 4.294 1.385 9.376 1.00 0.00 C ATOM 1218 O ILE A 77 4.307 1.832 8.231 1.00 0.00 O ATOM 1219 CB ILE A 77 2.479 0.071 10.619 1.00 0.00 C ATOM 1220 CG1 ILE A 77 1.741 -0.590 9.452 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.602 0.168 11.869 1.00 0.00 C ATOM 1222 CD1 ILE A 77 2.069 -2.082 9.371 1.00 0.00 C ATOM 0 H ILE A 77 1.316 1.631 9.011 1.00 0.00 H new ATOM 0 HA ILE A 77 3.276 1.943 11.153 1.00 0.00 H new ATOM 0 HB ILE A 77 3.326 -0.568 10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.666 -0.456 9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.019 -0.102 8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.232 -0.823 12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.190 0.567 12.696 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.759 0.830 11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.532 -2.528 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.141 -2.211 9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.768 -2.572 10.297 1.00 0.00 H new ATOM 1234 N GLU A 78 5.335 0.827 9.976 1.00 0.00 N ATOM 1235 CA GLU A 78 6.612 0.701 9.295 1.00 0.00 C ATOM 1236 C GLU A 78 7.397 -0.487 9.854 1.00 0.00 C ATOM 1237 O GLU A 78 6.816 -1.521 10.181 1.00 0.00 O ATOM 1238 CB GLU A 78 7.422 1.994 9.406 1.00 0.00 C ATOM 1239 CG GLU A 78 8.343 2.170 8.196 1.00 0.00 C ATOM 1240 CD GLU A 78 9.733 2.641 8.630 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.869 3.859 8.875 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.628 1.772 8.706 1.00 0.00 O ATOM 0 H GLU A 78 5.320 0.457 10.926 1.00 0.00 H new ATOM 0 HA GLU A 78 6.421 0.520 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.746 2.846 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.016 1.978 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.426 1.226 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.909 2.893 7.506 1.00 0.00 H new