USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 69 THR OG1 : rot -160:sc= 0.594 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0) USER MOD Set 1.3: A 72 THR OG1 : rot 119:sc= 1.93 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -103:sc= 1.83 (180deg=0.37) USER MOD Set 2.2: A 28 HIS : no HD1:sc= 1.1 K(o=2.9,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.6) USER MOD Single : A 24 SER OG : rot 8:sc= 1.04 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= 0.943 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -143:sc= 0 (180deg=-2.11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= 1.44 (180deg=1.18) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -106:sc= 0.0501 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -27:sc= 0.503 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 140:sc= -1.16! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 146:sc= -0.972 (180deg=-2.67!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.67) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -1.007 4.216 1.327 1.00 0.00 N ATOM 158 CA TYR A 14 -1.812 3.140 1.849 1.00 0.00 C ATOM 159 C TYR A 14 -1.888 1.959 0.899 1.00 0.00 C ATOM 160 O TYR A 14 -1.626 2.080 -0.294 1.00 0.00 O ATOM 161 CB TYR A 14 -3.211 3.638 2.185 1.00 0.00 C ATOM 162 CG TYR A 14 -3.231 4.788 3.171 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.341 6.100 2.728 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.144 4.566 4.539 1.00 0.00 C ATOM 165 CE1 TYR A 14 -3.366 7.156 3.616 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.167 5.620 5.435 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.279 6.912 4.967 1.00 0.00 C ATOM 168 OH TYR A 14 -3.310 7.965 5.855 1.00 0.00 O ATOM 0 HA TYR A 14 -1.325 2.790 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.705 3.952 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.792 2.811 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.408 6.297 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.057 3.555 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.453 8.169 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.098 5.432 6.496 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.239 7.623 6.771 1.00 0.00 H new ATOM 178 N ILE A 15 -2.246 0.827 1.463 1.00 0.00 N ATOM 179 CA ILE A 15 -2.360 -0.437 0.772 1.00 0.00 C ATOM 180 C ILE A 15 -3.768 -0.970 0.994 1.00 0.00 C ATOM 181 O ILE A 15 -4.489 -0.488 1.873 1.00 0.00 O ATOM 182 CB ILE A 15 -1.377 -1.467 1.348 1.00 0.00 C ATOM 183 CG1 ILE A 15 -1.868 -1.931 2.717 1.00 0.00 C ATOM 184 CG2 ILE A 15 0.001 -0.860 1.454 1.00 0.00 C ATOM 185 CD1 ILE A 15 -0.980 -2.943 3.384 1.00 0.00 C ATOM 0 H ILE A 15 -2.475 0.760 2.455 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.142 -0.282 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.322 -2.330 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.963 -1.063 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.865 -2.357 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.692 -1.596 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.341 -0.554 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.034 0.009 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.403 -3.217 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.904 -3.831 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.012 -2.516 3.530 1.00 0.00 H new ATOM 197 N LYS A 16 -4.174 -1.923 0.211 1.00 0.00 N ATOM 198 CA LYS A 16 -5.505 -2.469 0.366 1.00 0.00 C ATOM 199 C LYS A 16 -5.450 -3.772 1.144 1.00 0.00 C ATOM 200 O LYS A 16 -4.490 -4.501 1.051 1.00 0.00 O ATOM 201 CB LYS A 16 -6.127 -2.680 -0.999 1.00 0.00 C ATOM 202 CG LYS A 16 -7.653 -2.710 -1.002 1.00 0.00 C ATOM 203 CD LYS A 16 -8.218 -2.227 -2.341 1.00 0.00 C ATOM 204 CE LYS A 16 -7.881 -3.156 -3.507 1.00 0.00 C ATOM 205 NZ LYS A 16 -8.663 -4.417 -3.478 1.00 0.00 N ATOM 0 H LYS A 16 -3.618 -2.340 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.122 -1.767 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.791 -1.885 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.757 -3.619 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.999 -3.724 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.033 -2.081 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.301 -2.135 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.829 -1.231 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.071 -2.637 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.817 -3.392 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.061 -5.191 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.481 -4.304 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.995 -4.642 -4.438 1.00 0.00 H new ATOM 219 N ILE A 17 -6.427 -4.008 1.967 1.00 0.00 N ATOM 220 CA ILE A 17 -6.528 -5.266 2.687 1.00 0.00 C ATOM 221 C ILE A 17 -7.944 -5.795 2.663 1.00 0.00 C ATOM 222 O ILE A 17 -8.903 -5.047 2.872 1.00 0.00 O ATOM 223 CB ILE A 17 -6.007 -5.196 4.148 1.00 0.00 C ATOM 224 CG1 ILE A 17 -4.508 -4.880 4.171 1.00 0.00 C ATOM 225 CG2 ILE A 17 -6.283 -6.502 4.877 1.00 0.00 C ATOM 226 CD1 ILE A 17 -3.936 -4.748 5.561 1.00 0.00 C ATOM 0 H ILE A 17 -7.178 -3.347 2.166 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.873 -5.958 2.157 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.537 -4.394 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.972 -5.667 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.333 -3.952 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.911 -6.434 5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.357 -6.690 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.780 -7.320 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.871 -4.524 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.445 -3.942 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.078 -5.683 6.103 1.00 0.00 H new ATOM 238 N LYS A 18 -8.083 -7.073 2.387 1.00 0.00 N ATOM 239 CA LYS A 18 -9.377 -7.685 2.353 1.00 0.00 C ATOM 240 C LYS A 18 -9.648 -8.343 3.702 1.00 0.00 C ATOM 241 O LYS A 18 -9.049 -9.369 4.032 1.00 0.00 O ATOM 242 CB LYS A 18 -9.459 -8.750 1.252 1.00 0.00 C ATOM 243 CG LYS A 18 -8.609 -8.476 0.003 1.00 0.00 C ATOM 244 CD LYS A 18 -8.991 -9.414 -1.136 1.00 0.00 C ATOM 245 CE LYS A 18 -8.764 -10.870 -0.769 1.00 0.00 C ATOM 246 NZ LYS A 18 -9.120 -11.783 -1.882 1.00 0.00 N ATOM 0 H LYS A 18 -7.308 -7.704 2.183 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.119 -6.915 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.155 -9.708 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.500 -8.852 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.744 -7.441 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.553 -8.601 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.039 -9.264 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.406 -9.167 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.718 -11.017 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.359 -11.120 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.951 -12.767 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.124 -11.661 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.535 -11.562 -2.713 1.00 0.00 H new ATOM 260 N VAL A 19 -10.524 -7.747 4.479 1.00 0.00 N ATOM 261 CA VAL A 19 -10.899 -8.298 5.754 1.00 0.00 C ATOM 262 C VAL A 19 -11.935 -9.377 5.537 1.00 0.00 C ATOM 263 O VAL A 19 -13.015 -9.106 5.032 1.00 0.00 O ATOM 264 CB VAL A 19 -11.495 -7.203 6.684 1.00 0.00 C ATOM 265 CG1 VAL A 19 -12.027 -7.814 7.962 1.00 0.00 C ATOM 266 CG2 VAL A 19 -10.454 -6.134 7.003 1.00 0.00 C ATOM 0 H VAL A 19 -10.992 -6.872 4.244 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.009 -8.709 6.230 1.00 0.00 H new ATOM 0 HB VAL A 19 -12.323 -6.731 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.439 -7.029 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.809 -8.535 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.217 -8.319 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.895 -5.380 7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.602 -6.594 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.120 -5.664 6.078 1.00 0.00 H new ATOM 276 N VAL A 20 -11.598 -10.592 5.902 1.00 0.00 N ATOM 277 CA VAL A 20 -12.492 -11.709 5.740 1.00 0.00 C ATOM 278 C VAL A 20 -12.964 -12.187 7.097 1.00 0.00 C ATOM 279 O VAL A 20 -12.161 -12.619 7.936 1.00 0.00 O ATOM 280 CB VAL A 20 -11.796 -12.884 5.002 1.00 0.00 C ATOM 281 CG1 VAL A 20 -12.752 -14.056 4.818 1.00 0.00 C ATOM 282 CG2 VAL A 20 -11.237 -12.427 3.662 1.00 0.00 C ATOM 0 H VAL A 20 -10.698 -10.831 6.318 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.341 -11.376 5.142 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.964 -13.222 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.239 -14.866 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.089 -14.407 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.612 -13.735 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.754 -13.267 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.048 -12.052 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.508 -11.633 3.824 1.00 0.00 H new ATOM 292 N GLY A 21 -14.253 -12.110 7.316 1.00 0.00 N ATOM 293 CA GLY A 21 -14.810 -12.553 8.570 1.00 0.00 C ATOM 294 C GLY A 21 -15.025 -14.050 8.590 1.00 0.00 C ATOM 295 O GLY A 21 -14.755 -14.734 7.596 1.00 0.00 O ATOM 0 H GLY A 21 -14.933 -11.747 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.143 -12.270 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.759 -12.047 8.745 1.00 0.00 H new ATOM 299 N GLN A 22 -15.505 -14.565 9.707 1.00 0.00 N ATOM 300 CA GLN A 22 -15.729 -15.998 9.856 1.00 0.00 C ATOM 301 C GLN A 22 -16.819 -16.498 8.940 1.00 0.00 C ATOM 302 O GLN A 22 -16.729 -17.598 8.395 1.00 0.00 O ATOM 303 CB GLN A 22 -15.996 -16.385 11.303 1.00 0.00 C ATOM 304 CG GLN A 22 -14.774 -16.257 12.187 1.00 0.00 C ATOM 305 CD GLN A 22 -15.071 -16.507 13.645 1.00 0.00 C ATOM 306 OE1 GLN A 22 -16.164 -16.231 14.131 1.00 0.00 O ATOM 307 NE2 GLN A 22 -14.105 -17.047 14.349 1.00 0.00 N ATOM 0 H GLN A 22 -15.749 -14.013 10.529 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.805 -16.491 9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.792 -15.755 11.700 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.356 -17.413 11.337 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.014 -16.962 11.851 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.354 -15.258 12.074 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.211 -17.261 13.908 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.248 -17.253 15.338 1.00 0.00 H new ATOM 316 N ASP A 23 -17.842 -15.691 8.756 1.00 0.00 N ATOM 317 CA ASP A 23 -18.934 -16.031 7.848 1.00 0.00 C ATOM 318 C ASP A 23 -18.499 -15.748 6.403 1.00 0.00 C ATOM 319 O ASP A 23 -19.320 -15.566 5.507 1.00 0.00 O ATOM 320 CB ASP A 23 -20.187 -15.220 8.214 1.00 0.00 C ATOM 321 CG ASP A 23 -21.428 -15.670 7.469 1.00 0.00 C ATOM 322 OD1 ASP A 23 -21.797 -16.853 7.583 1.00 0.00 O ATOM 323 OD2 ASP A 23 -22.055 -14.829 6.778 1.00 0.00 O ATOM 0 H ASP A 23 -17.947 -14.790 9.222 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.176 -17.090 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.365 -15.302 9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.005 -14.167 8.001 1.00 0.00 H new ATOM 328 N SER A 24 -17.171 -15.722 6.209 1.00 0.00 N ATOM 329 CA SER A 24 -16.517 -15.453 4.922 1.00 0.00 C ATOM 330 C SER A 24 -16.910 -14.097 4.382 1.00 0.00 C ATOM 331 O SER A 24 -16.930 -13.864 3.173 1.00 0.00 O ATOM 332 CB SER A 24 -16.753 -16.578 3.893 1.00 0.00 C ATOM 333 OG SER A 24 -18.124 -16.765 3.580 1.00 0.00 O ATOM 0 H SER A 24 -16.506 -15.892 6.964 1.00 0.00 H new ATOM 0 HA SER A 24 -15.443 -15.434 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.206 -16.347 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.345 -17.511 4.282 1.00 0.00 H new ATOM 0 HG SER A 24 -18.654 -16.050 3.991 1.00 0.00 H new ATOM 339 N ASN A 25 -17.181 -13.197 5.297 1.00 0.00 N ATOM 340 CA ASN A 25 -17.571 -11.839 4.939 1.00 0.00 C ATOM 341 C ASN A 25 -16.344 -11.007 4.675 1.00 0.00 C ATOM 342 O ASN A 25 -15.630 -10.629 5.591 1.00 0.00 O ATOM 343 CB ASN A 25 -18.408 -11.202 6.041 1.00 0.00 C ATOM 344 CG ASN A 25 -18.892 -9.809 5.680 1.00 0.00 C ATOM 345 OD1 ASN A 25 -19.111 -9.494 4.512 1.00 0.00 O ATOM 346 ND2 ASN A 25 -19.059 -8.966 6.681 1.00 0.00 N ATOM 0 H ASN A 25 -17.141 -13.374 6.301 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.178 -11.883 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.268 -11.838 6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.818 -11.151 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.381 -8.015 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.867 -9.265 7.637 1.00 0.00 H new ATOM 353 N GLU A 26 -16.102 -10.742 3.426 1.00 0.00 N ATOM 354 CA GLU A 26 -14.929 -10.006 3.019 1.00 0.00 C ATOM 355 C GLU A 26 -15.265 -8.570 2.656 1.00 0.00 C ATOM 356 O GLU A 26 -16.192 -8.306 1.889 1.00 0.00 O ATOM 357 CB GLU A 26 -14.246 -10.697 1.847 1.00 0.00 C ATOM 358 CG GLU A 26 -13.013 -9.969 1.331 1.00 0.00 C ATOM 359 CD GLU A 26 -12.423 -10.620 0.103 1.00 0.00 C ATOM 360 OE1 GLU A 26 -12.040 -11.803 0.172 1.00 0.00 O ATOM 361 OE2 GLU A 26 -12.335 -9.940 -0.945 1.00 0.00 O ATOM 0 H GLU A 26 -16.708 -11.027 2.656 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.246 -9.985 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.960 -11.705 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.962 -10.800 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.276 -8.937 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.259 -9.937 2.118 1.00 0.00 H new ATOM 368 N VAL A 27 -14.502 -7.660 3.211 1.00 0.00 N ATOM 369 CA VAL A 27 -14.644 -6.249 2.947 1.00 0.00 C ATOM 370 C VAL A 27 -13.270 -5.643 2.737 1.00 0.00 C ATOM 371 O VAL A 27 -12.308 -6.015 3.406 1.00 0.00 O ATOM 372 CB VAL A 27 -15.399 -5.525 4.093 1.00 0.00 C ATOM 373 CG1 VAL A 27 -14.695 -5.735 5.416 1.00 0.00 C ATOM 374 CG2 VAL A 27 -15.551 -4.039 3.794 1.00 0.00 C ATOM 0 H VAL A 27 -13.754 -7.882 3.868 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.241 -6.120 2.044 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.397 -5.958 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.242 -5.219 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.653 -6.801 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.682 -5.337 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.084 -3.556 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.565 -3.587 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.113 -3.910 2.869 1.00 0.00 H new ATOM 384 N HIS A 28 -13.166 -4.738 1.800 1.00 0.00 N ATOM 385 CA HIS A 28 -11.888 -4.173 1.459 1.00 0.00 C ATOM 386 C HIS A 28 -11.645 -2.867 2.164 1.00 0.00 C ATOM 387 O HIS A 28 -12.363 -1.890 1.971 1.00 0.00 O ATOM 388 CB HIS A 28 -11.750 -4.004 -0.054 1.00 0.00 C ATOM 389 CG HIS A 28 -11.627 -5.307 -0.789 1.00 0.00 C ATOM 390 ND1 HIS A 28 -11.052 -5.423 -2.035 1.00 0.00 N ATOM 391 CD2 HIS A 28 -12.025 -6.554 -0.447 1.00 0.00 C ATOM 392 CE1 HIS A 28 -11.103 -6.689 -2.422 1.00 0.00 C ATOM 393 NE2 HIS A 28 -11.687 -7.388 -1.472 1.00 0.00 N ATOM 0 H HIS A 28 -13.952 -4.376 1.259 1.00 0.00 H new ATOM 0 HA HIS A 28 -11.126 -4.874 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -12.617 -3.462 -0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.874 -3.391 -0.266 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.520 -6.837 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.729 -7.080 -3.357 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.859 -8.393 -1.498 1.00 0.00 H new ATOM 401 N PHE A 29 -10.633 -2.873 2.982 1.00 0.00 N ATOM 402 CA PHE A 29 -10.199 -1.701 3.705 1.00 0.00 C ATOM 403 C PHE A 29 -8.885 -1.198 3.178 1.00 0.00 C ATOM 404 O PHE A 29 -8.065 -1.967 2.676 1.00 0.00 O ATOM 405 CB PHE A 29 -10.071 -1.988 5.196 1.00 0.00 C ATOM 406 CG PHE A 29 -11.373 -1.991 5.928 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.021 -3.171 6.222 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.952 -0.798 6.325 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.216 -3.166 6.895 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.151 -0.788 7.000 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.782 -1.976 7.285 1.00 0.00 C ATOM 0 H PHE A 29 -10.073 -3.704 3.172 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.959 -0.933 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.589 -2.956 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.416 -1.241 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.583 -4.110 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.457 0.136 6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.713 -4.098 7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.594 0.149 7.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.723 -1.974 7.816 1.00 0.00 H new ATOM 421 N ARG A 30 -8.697 0.089 3.265 1.00 0.00 N ATOM 422 CA ARG A 30 -7.473 0.704 2.841 1.00 0.00 C ATOM 423 C ARG A 30 -6.712 1.173 4.072 1.00 0.00 C ATOM 424 O ARG A 30 -7.186 2.028 4.818 1.00 0.00 O ATOM 425 CB ARG A 30 -7.777 1.880 1.931 1.00 0.00 C ATOM 426 CG ARG A 30 -6.572 2.453 1.218 1.00 0.00 C ATOM 427 CD ARG A 30 -6.089 1.521 0.119 1.00 0.00 C ATOM 428 NE ARG A 30 -5.126 2.169 -0.774 1.00 0.00 N ATOM 429 CZ ARG A 30 -4.499 1.551 -1.781 1.00 0.00 C ATOM 430 NH1 ARG A 30 -4.695 0.257 -1.990 1.00 0.00 N ATOM 431 NH2 ARG A 30 -3.686 2.229 -2.576 1.00 0.00 N ATOM 0 H ARG A 30 -9.390 0.741 3.633 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.866 -0.013 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.508 1.566 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.242 2.669 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.826 3.423 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.768 2.622 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.630 0.640 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.943 1.174 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.920 3.156 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.324 -0.268 -1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.217 -0.214 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.536 3.226 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.210 1.754 -3.343 1.00 0.00 H new ATOM 445 N VAL A 31 -5.551 0.608 4.275 1.00 0.00 N ATOM 446 CA VAL A 31 -4.726 0.910 5.444 1.00 0.00 C ATOM 447 C VAL A 31 -3.279 1.046 5.034 1.00 0.00 C ATOM 448 O VAL A 31 -2.927 0.750 3.922 1.00 0.00 O ATOM 449 CB VAL A 31 -4.842 -0.160 6.559 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.275 -0.291 7.056 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.313 -1.493 6.085 1.00 0.00 C ATOM 0 H VAL A 31 -5.139 -0.077 3.641 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.098 1.849 5.853 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.229 0.170 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.321 -1.050 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.609 0.665 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.922 -0.583 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.406 -2.227 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.887 -1.825 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.264 -1.390 5.807 1.00 0.00 H new ATOM 461 N LYS A 32 -2.462 1.497 5.926 1.00 0.00 N ATOM 462 CA LYS A 32 -1.063 1.721 5.644 1.00 0.00 C ATOM 463 C LYS A 32 -0.250 0.462 5.942 1.00 0.00 C ATOM 464 O LYS A 32 -0.670 -0.369 6.738 1.00 0.00 O ATOM 465 CB LYS A 32 -0.564 2.878 6.499 1.00 0.00 C ATOM 466 CG LYS A 32 0.756 3.463 6.051 1.00 0.00 C ATOM 467 CD LYS A 32 1.201 4.588 6.969 1.00 0.00 C ATOM 468 CE LYS A 32 0.266 5.786 6.873 1.00 0.00 C ATOM 469 NZ LYS A 32 0.695 6.902 7.750 1.00 0.00 N ATOM 0 H LYS A 32 -2.737 1.726 6.881 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.942 1.964 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.316 3.667 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.465 2.536 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.516 2.682 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.663 3.838 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.231 4.230 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.214 4.893 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.226 6.132 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.744 5.479 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.030 7.696 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.708 6.581 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.648 7.213 7.474 1.00 0.00 H new ATOM 483 N TYR A 33 0.917 0.329 5.303 1.00 0.00 N ATOM 484 CA TYR A 33 1.827 -0.792 5.603 1.00 0.00 C ATOM 485 C TYR A 33 2.167 -0.795 7.095 1.00 0.00 C ATOM 486 O TYR A 33 2.256 -1.846 7.724 1.00 0.00 O ATOM 487 CB TYR A 33 3.155 -0.659 4.835 1.00 0.00 C ATOM 488 CG TYR A 33 3.137 -1.060 3.377 1.00 0.00 C ATOM 489 CD1 TYR A 33 3.247 -0.108 2.370 1.00 0.00 C ATOM 490 CD2 TYR A 33 3.045 -2.397 3.008 1.00 0.00 C ATOM 491 CE1 TYR A 33 3.264 -0.479 1.037 1.00 0.00 C ATOM 492 CE2 TYR A 33 3.057 -2.775 1.681 1.00 0.00 C ATOM 493 CZ TYR A 33 3.168 -1.815 0.699 1.00 0.00 C ATOM 494 OH TYR A 33 3.181 -2.190 -0.627 1.00 0.00 O ATOM 0 H TYR A 33 1.254 0.970 4.585 1.00 0.00 H new ATOM 0 HA TYR A 33 1.319 -1.710 5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.483 0.378 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.906 -1.263 5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.320 0.937 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.963 -3.154 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.352 0.272 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.980 -3.818 1.413 1.00 0.00 H new ATOM 0 HH TYR A 33 3.106 -3.165 -0.692 1.00 0.00 H new ATOM 504 N GLY A 34 2.350 0.399 7.646 1.00 0.00 N ATOM 505 CA GLY A 34 2.707 0.540 9.037 1.00 0.00 C ATOM 506 C GLY A 34 1.512 0.840 9.912 1.00 0.00 C ATOM 507 O GLY A 34 1.651 1.454 10.967 1.00 0.00 O ATOM 0 H GLY A 34 2.255 1.281 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.185 -0.377 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.440 1.340 9.142 1.00 0.00 H new ATOM 511 N THR A 35 0.337 0.446 9.457 1.00 0.00 N ATOM 512 CA THR A 35 -0.875 0.654 10.196 1.00 0.00 C ATOM 513 C THR A 35 -0.903 -0.154 11.507 1.00 0.00 C ATOM 514 O THR A 35 -0.436 -1.294 11.570 1.00 0.00 O ATOM 515 CB THR A 35 -2.105 0.338 9.312 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.565 1.535 8.666 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.227 -0.311 10.094 1.00 0.00 C ATOM 0 H THR A 35 0.206 -0.027 8.563 1.00 0.00 H new ATOM 0 HA THR A 35 -0.913 1.706 10.479 1.00 0.00 H new ATOM 0 HB THR A 35 -1.790 -0.383 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.491 1.715 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.066 -0.512 9.428 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.875 -1.247 10.527 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.549 0.359 10.891 1.00 0.00 H new ATOM 525 N SER A 36 -1.425 0.472 12.550 1.00 0.00 N ATOM 526 CA SER A 36 -1.543 -0.153 13.846 1.00 0.00 C ATOM 527 C SER A 36 -2.906 -0.829 13.977 1.00 0.00 C ATOM 528 O SER A 36 -3.855 -0.448 13.293 1.00 0.00 O ATOM 529 CB SER A 36 -1.346 0.888 14.942 1.00 0.00 C ATOM 530 OG SER A 36 -0.033 1.427 14.891 1.00 0.00 O ATOM 0 H SER A 36 -1.777 1.429 12.516 1.00 0.00 H new ATOM 0 HA SER A 36 -0.771 -0.915 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.078 1.688 14.827 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.521 0.434 15.917 1.00 0.00 H new ATOM 0 HG SER A 36 0.074 2.094 15.601 1.00 0.00 H new ATOM 536 N MET A 37 -3.003 -1.817 14.874 1.00 0.00 N ATOM 537 CA MET A 37 -4.239 -2.603 15.060 1.00 0.00 C ATOM 538 C MET A 37 -5.467 -1.714 15.264 1.00 0.00 C ATOM 539 O MET A 37 -6.570 -2.065 14.855 1.00 0.00 O ATOM 540 CB MET A 37 -4.104 -3.543 16.261 1.00 0.00 C ATOM 541 CG MET A 37 -4.102 -2.836 17.616 1.00 0.00 C ATOM 542 SD MET A 37 -3.943 -3.979 18.996 1.00 0.00 S ATOM 543 CE MET A 37 -4.055 -2.855 20.390 1.00 0.00 C ATOM 0 H MET A 37 -2.238 -2.096 15.488 1.00 0.00 H new ATOM 0 HA MET A 37 -4.380 -3.180 14.146 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.924 -4.260 16.240 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.180 -4.112 16.160 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.281 -2.120 17.646 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.025 -2.267 17.726 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.380 -3.186 21.179 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.776 -1.851 20.071 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.077 -2.845 20.768 1.00 0.00 H new ATOM 553 N ALA A 38 -5.259 -0.567 15.876 1.00 0.00 N ATOM 554 CA ALA A 38 -6.336 0.353 16.177 1.00 0.00 C ATOM 555 C ALA A 38 -7.028 0.850 14.924 1.00 0.00 C ATOM 556 O ALA A 38 -8.234 0.982 14.900 1.00 0.00 O ATOM 557 CB ALA A 38 -5.823 1.518 16.989 1.00 0.00 C ATOM 0 H ALA A 38 -4.339 -0.246 16.179 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.075 -0.194 16.763 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.645 2.200 17.207 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.399 1.151 17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.054 2.045 16.424 1.00 0.00 H new ATOM 563 N LYS A 39 -6.262 1.090 13.874 1.00 0.00 N ATOM 564 CA LYS A 39 -6.805 1.668 12.649 1.00 0.00 C ATOM 565 C LYS A 39 -7.875 0.773 12.047 1.00 0.00 C ATOM 566 O LYS A 39 -8.874 1.252 11.544 1.00 0.00 O ATOM 567 CB LYS A 39 -5.691 1.894 11.626 1.00 0.00 C ATOM 568 CG LYS A 39 -4.613 2.864 12.097 1.00 0.00 C ATOM 569 CD LYS A 39 -5.189 4.247 12.343 1.00 0.00 C ATOM 570 CE LYS A 39 -4.123 5.236 12.782 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.697 6.581 13.037 1.00 0.00 N ATOM 0 H LYS A 39 -5.261 0.895 13.841 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.258 2.625 12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.227 0.936 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.129 2.272 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.157 2.489 13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.822 2.924 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.666 4.609 11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.964 4.187 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.637 4.870 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.354 5.308 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.941 7.230 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.139 6.940 12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.413 6.516 13.788 1.00 0.00 H new ATOM 585 N LEU A 40 -7.658 -0.519 12.118 1.00 0.00 N ATOM 586 CA LEU A 40 -8.591 -1.473 11.551 1.00 0.00 C ATOM 587 C LEU A 40 -9.698 -1.830 12.532 1.00 0.00 C ATOM 588 O LEU A 40 -10.872 -1.830 12.181 1.00 0.00 O ATOM 589 CB LEU A 40 -7.869 -2.742 11.065 1.00 0.00 C ATOM 590 CG LEU A 40 -6.747 -3.291 11.965 1.00 0.00 C ATOM 591 CD1 LEU A 40 -6.612 -4.786 11.775 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.428 -2.625 11.615 1.00 0.00 C ATOM 0 H LEU A 40 -6.842 -0.938 12.564 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.052 -0.992 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.614 -3.527 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.446 -2.536 10.082 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.000 -3.078 13.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.816 -5.164 12.416 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.551 -5.272 12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.372 -5.000 10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.640 -3.019 12.256 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.183 -2.828 10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.513 -1.549 11.764 1.00 0.00 H new ATOM 604 N LYS A 41 -9.312 -2.128 13.758 1.00 0.00 N ATOM 605 CA LYS A 41 -10.249 -2.535 14.798 1.00 0.00 C ATOM 606 C LYS A 41 -11.234 -1.450 15.123 1.00 0.00 C ATOM 607 O LYS A 41 -12.430 -1.686 15.175 1.00 0.00 O ATOM 608 CB LYS A 41 -9.465 -2.912 16.031 1.00 0.00 C ATOM 609 CG LYS A 41 -8.684 -4.198 15.892 1.00 0.00 C ATOM 610 CD LYS A 41 -7.766 -4.374 17.060 1.00 0.00 C ATOM 611 CE LYS A 41 -7.035 -5.704 17.028 1.00 0.00 C ATOM 612 NZ LYS A 41 -6.161 -5.876 18.218 1.00 0.00 N ATOM 0 H LYS A 41 -8.340 -2.096 14.065 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.823 -3.388 14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.775 -2.104 16.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.152 -3.005 16.872 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.369 -5.043 15.828 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.108 -4.184 14.967 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.038 -3.563 17.072 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.340 -4.300 17.984 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.760 -6.517 16.987 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.433 -5.768 16.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.380 -6.522 17.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.774 -4.953 18.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.717 -6.273 19.002 1.00 0.00 H new ATOM 626 N LYS A 42 -10.730 -0.265 15.303 1.00 0.00 N ATOM 627 CA LYS A 42 -11.555 0.881 15.587 1.00 0.00 C ATOM 628 C LYS A 42 -12.463 1.173 14.406 1.00 0.00 C ATOM 629 O LYS A 42 -13.617 1.531 14.576 1.00 0.00 O ATOM 630 CB LYS A 42 -10.670 2.076 15.947 1.00 0.00 C ATOM 631 CG LYS A 42 -11.396 3.362 16.291 1.00 0.00 C ATOM 632 CD LYS A 42 -10.429 4.360 16.924 1.00 0.00 C ATOM 633 CE LYS A 42 -9.276 4.702 15.984 1.00 0.00 C ATOM 634 NZ LYS A 42 -8.318 5.659 16.599 1.00 0.00 N ATOM 0 H LYS A 42 -9.732 -0.061 15.258 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.196 0.675 16.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.045 1.797 16.795 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.001 2.273 15.109 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.836 3.792 15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.216 3.153 16.978 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.967 5.271 17.187 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.032 3.945 17.851 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.749 3.788 15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.674 5.129 15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.552 5.863 15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.814 6.542 16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.918 5.242 17.464 1.00 0.00 H new ATOM 648 N SER A 43 -11.925 1.010 13.209 1.00 0.00 N ATOM 649 CA SER A 43 -12.676 1.279 11.993 1.00 0.00 C ATOM 650 C SER A 43 -13.803 0.247 11.779 1.00 0.00 C ATOM 651 O SER A 43 -14.977 0.607 11.624 1.00 0.00 O ATOM 652 CB SER A 43 -11.716 1.268 10.794 1.00 0.00 C ATOM 653 OG SER A 43 -12.395 1.525 9.579 1.00 0.00 O ATOM 0 H SER A 43 -10.969 0.692 13.053 1.00 0.00 H new ATOM 0 HA SER A 43 -13.144 2.259 12.088 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.939 2.018 10.943 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.218 0.300 10.735 1.00 0.00 H new ATOM 0 HG SER A 43 -12.473 0.694 9.066 1.00 0.00 H new ATOM 659 N TYR A 44 -13.440 -1.033 11.800 1.00 0.00 N ATOM 660 CA TYR A 44 -14.388 -2.109 11.575 1.00 0.00 C ATOM 661 C TYR A 44 -15.421 -2.197 12.672 1.00 0.00 C ATOM 662 O TYR A 44 -16.610 -2.305 12.400 1.00 0.00 O ATOM 663 CB TYR A 44 -13.657 -3.419 11.447 1.00 0.00 C ATOM 664 CG TYR A 44 -14.527 -4.586 11.037 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.629 -4.963 9.705 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.248 -5.304 11.980 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.423 -6.025 9.323 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.044 -6.367 11.609 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.128 -6.725 10.279 1.00 0.00 C ATOM 670 OH TYR A 44 -16.919 -7.783 9.905 1.00 0.00 O ATOM 0 H TYR A 44 -12.485 -1.347 11.973 1.00 0.00 H new ATOM 0 HA TYR A 44 -14.917 -1.891 10.647 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.857 -3.304 10.716 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.185 -3.652 12.402 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.078 -4.416 8.955 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.185 -5.026 13.022 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.492 -6.306 8.282 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.599 -6.916 12.355 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.346 -8.169 10.698 1.00 0.00 H new ATOM 680 N ALA A 45 -14.971 -2.152 13.909 1.00 0.00 N ATOM 681 CA ALA A 45 -15.879 -2.241 15.037 1.00 0.00 C ATOM 682 C ALA A 45 -16.876 -1.105 14.986 1.00 0.00 C ATOM 683 O ALA A 45 -18.046 -1.263 15.334 1.00 0.00 O ATOM 684 CB ALA A 45 -15.126 -2.227 16.352 1.00 0.00 C ATOM 0 H ALA A 45 -13.987 -2.055 14.160 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.414 -3.189 14.972 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.834 -2.295 17.178 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.443 -3.076 16.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.558 -1.300 16.436 1.00 0.00 H new ATOM 690 N ASP A 46 -16.402 0.031 14.534 1.00 0.00 N ATOM 691 CA ASP A 46 -17.227 1.233 14.446 1.00 0.00 C ATOM 692 C ASP A 46 -18.346 1.075 13.426 1.00 0.00 C ATOM 693 O ASP A 46 -19.501 1.377 13.711 1.00 0.00 O ATOM 694 CB ASP A 46 -16.375 2.440 14.095 1.00 0.00 C ATOM 695 CG ASP A 46 -17.170 3.719 14.008 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.673 4.187 15.051 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.273 4.280 12.902 1.00 0.00 O ATOM 0 H ASP A 46 -15.441 0.158 14.216 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.682 1.387 15.425 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.593 2.556 14.845 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.878 2.262 13.141 1.00 0.00 H new ATOM 702 N ARG A 47 -17.998 0.576 12.242 1.00 0.00 N ATOM 703 CA ARG A 47 -18.972 0.408 11.158 1.00 0.00 C ATOM 704 C ARG A 47 -20.024 -0.640 11.522 1.00 0.00 C ATOM 705 O ARG A 47 -21.157 -0.583 11.052 1.00 0.00 O ATOM 706 CB ARG A 47 -18.265 0.008 9.855 1.00 0.00 C ATOM 707 CG ARG A 47 -17.727 -1.409 9.866 1.00 0.00 C ATOM 708 CD ARG A 47 -16.825 -1.686 8.687 1.00 0.00 C ATOM 709 NE ARG A 47 -17.518 -1.607 7.404 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.116 -2.640 6.799 1.00 0.00 C ATOM 711 NH1 ARG A 47 -18.172 -3.830 7.397 1.00 0.00 N ATOM 712 NH2 ARG A 47 -18.665 -2.478 5.603 1.00 0.00 N ATOM 0 H ARG A 47 -17.051 0.280 12.006 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.474 1.364 11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.963 0.116 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.442 0.699 9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.176 -1.579 10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.560 -2.112 9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.001 -0.973 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.388 -2.679 8.797 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.548 -0.701 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.758 -3.957 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.629 -4.614 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.631 -1.567 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.121 -3.264 5.140 1.00 0.00 H new ATOM 726 N THR A 48 -19.641 -1.589 12.365 1.00 0.00 N ATOM 727 CA THR A 48 -20.549 -2.645 12.773 1.00 0.00 C ATOM 728 C THR A 48 -21.274 -2.277 14.074 1.00 0.00 C ATOM 729 O THR A 48 -22.178 -2.990 14.515 1.00 0.00 O ATOM 730 CB THR A 48 -19.822 -4.019 12.904 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.750 -5.052 13.260 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.712 -3.963 13.928 1.00 0.00 C ATOM 0 H THR A 48 -18.710 -1.647 12.777 1.00 0.00 H new ATOM 0 HA THR A 48 -21.297 -2.750 11.987 1.00 0.00 H new ATOM 0 HB THR A 48 -19.385 -4.247 11.932 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.503 -4.661 13.751 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.227 -4.937 13.993 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.980 -3.213 13.630 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.127 -3.699 14.901 1.00 0.00 H new ATOM 740 N GLY A 49 -20.871 -1.160 14.680 1.00 0.00 N ATOM 741 CA GLY A 49 -21.510 -0.699 15.899 1.00 0.00 C ATOM 742 C GLY A 49 -21.215 -1.586 17.091 1.00 0.00 C ATOM 743 O GLY A 49 -22.062 -1.749 17.978 1.00 0.00 O ATOM 0 H GLY A 49 -20.112 -0.567 14.346 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.177 0.316 16.116 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.588 -0.654 15.744 1.00 0.00 H new ATOM 747 N VAL A 50 -20.029 -2.160 17.123 1.00 0.00 N ATOM 748 CA VAL A 50 -19.664 -3.058 18.192 1.00 0.00 C ATOM 749 C VAL A 50 -18.476 -2.509 18.981 1.00 0.00 C ATOM 750 O VAL A 50 -17.828 -1.545 18.557 1.00 0.00 O ATOM 751 CB VAL A 50 -19.326 -4.472 17.652 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.879 -4.576 17.172 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.639 -5.523 18.684 1.00 0.00 C ATOM 0 H VAL A 50 -19.304 -2.019 16.420 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.525 -3.139 18.856 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.957 -4.648 16.781 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.690 -5.584 16.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.709 -3.858 16.370 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.204 -4.360 18.001 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.395 -6.508 18.286 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.049 -5.338 19.582 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.700 -5.485 18.932 1.00 0.00 H new ATOM 763 N ALA A 51 -18.221 -3.109 20.133 1.00 0.00 N ATOM 764 CA ALA A 51 -17.115 -2.724 20.978 1.00 0.00 C ATOM 765 C ALA A 51 -15.787 -2.925 20.243 1.00 0.00 C ATOM 766 O ALA A 51 -15.515 -3.999 19.705 1.00 0.00 O ATOM 767 CB ALA A 51 -17.151 -3.550 22.259 1.00 0.00 C ATOM 0 H ALA A 51 -18.780 -3.878 20.504 1.00 0.00 H new ATOM 0 HA ALA A 51 -17.203 -1.667 21.231 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.318 -3.263 22.900 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.090 -3.370 22.782 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.071 -4.609 22.012 1.00 0.00 H new ATOM 773 N VAL A 52 -14.973 -1.882 20.226 1.00 0.00 N ATOM 774 CA VAL A 52 -13.677 -1.913 19.559 1.00 0.00 C ATOM 775 C VAL A 52 -12.750 -2.921 20.226 1.00 0.00 C ATOM 776 O VAL A 52 -12.076 -3.702 19.562 1.00 0.00 O ATOM 777 CB VAL A 52 -13.007 -0.513 19.574 1.00 0.00 C ATOM 778 CG1 VAL A 52 -11.581 -0.577 19.039 1.00 0.00 C ATOM 779 CG2 VAL A 52 -13.837 0.488 18.781 1.00 0.00 C ATOM 0 H VAL A 52 -15.189 -0.991 20.673 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.850 -2.212 18.525 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.959 -0.176 20.609 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.139 0.419 19.062 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.990 -1.251 19.659 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.594 -0.945 18.013 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.350 1.463 18.804 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.925 0.150 17.748 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.830 0.568 19.223 1.00 0.00 H new ATOM 789 N ASN A 53 -12.745 -2.902 21.544 1.00 0.00 N ATOM 790 CA ASN A 53 -11.876 -3.765 22.328 1.00 0.00 C ATOM 791 C ASN A 53 -12.247 -5.240 22.208 1.00 0.00 C ATOM 792 O ASN A 53 -11.380 -6.114 22.335 1.00 0.00 O ATOM 793 CB ASN A 53 -11.858 -3.333 23.796 1.00 0.00 C ATOM 794 CG ASN A 53 -11.096 -2.041 24.014 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.665 -0.953 23.963 1.00 0.00 O ATOM 796 ND2 ASN A 53 -9.808 -2.155 24.267 1.00 0.00 N ATOM 0 H ASN A 53 -13.340 -2.291 22.103 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.873 -3.655 21.915 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.882 -3.210 24.147 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.407 -4.122 24.398 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.244 -1.321 24.430 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.375 -3.078 24.300 1.00 0.00 H new ATOM 803 N SER A 54 -13.523 -5.539 21.984 1.00 0.00 N ATOM 804 CA SER A 54 -13.933 -6.926 21.882 1.00 0.00 C ATOM 805 C SER A 54 -13.683 -7.471 20.482 1.00 0.00 C ATOM 806 O SER A 54 -13.557 -8.681 20.296 1.00 0.00 O ATOM 807 CB SER A 54 -15.411 -7.078 22.263 1.00 0.00 C ATOM 808 OG SER A 54 -16.242 -6.344 21.383 1.00 0.00 O ATOM 0 H SER A 54 -14.271 -4.855 21.873 1.00 0.00 H new ATOM 0 HA SER A 54 -13.332 -7.508 22.581 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.690 -8.131 22.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.564 -6.732 23.285 1.00 0.00 H new ATOM 0 HG SER A 54 -17.046 -6.866 21.181 1.00 0.00 H new ATOM 814 N LEU A 55 -13.492 -6.572 19.530 1.00 0.00 N ATOM 815 CA LEU A 55 -13.303 -6.948 18.143 1.00 0.00 C ATOM 816 C LEU A 55 -11.815 -7.087 17.874 1.00 0.00 C ATOM 817 O LEU A 55 -11.017 -6.253 18.303 1.00 0.00 O ATOM 818 CB LEU A 55 -13.922 -5.855 17.232 1.00 0.00 C ATOM 819 CG LEU A 55 -14.323 -6.254 15.788 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.122 -6.668 14.964 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.367 -7.361 15.800 1.00 0.00 C ATOM 0 H LEU A 55 -13.464 -5.566 19.698 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.794 -7.898 17.933 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.811 -5.468 17.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.210 -5.032 17.166 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.757 -5.371 15.319 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.446 -6.940 13.959 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.417 -5.839 14.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.637 -7.524 15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.631 -7.623 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.962 -8.238 16.306 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.256 -7.017 16.328 1.00 0.00 H new ATOM 833 N ARG A 56 -11.433 -8.149 17.185 1.00 0.00 N ATOM 834 CA ARG A 56 -10.039 -8.391 16.939 1.00 0.00 C ATOM 835 C ARG A 56 -9.803 -8.923 15.550 1.00 0.00 C ATOM 836 O ARG A 56 -10.647 -9.611 14.972 1.00 0.00 O ATOM 837 CB ARG A 56 -9.436 -9.351 17.979 1.00 0.00 C ATOM 838 CG ARG A 56 -10.066 -10.739 18.024 1.00 0.00 C ATOM 839 CD ARG A 56 -11.331 -10.765 18.871 1.00 0.00 C ATOM 840 NE ARG A 56 -11.804 -12.131 19.083 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.813 -12.470 19.889 1.00 0.00 C ATOM 842 NH1 ARG A 56 -13.473 -11.539 20.575 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.154 -13.747 20.016 1.00 0.00 N ATOM 0 H ARG A 56 -12.068 -8.845 16.794 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.536 -7.428 17.028 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.371 -9.460 17.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.527 -8.896 18.965 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.302 -11.063 17.010 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.346 -11.451 18.427 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.136 -10.293 19.834 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.110 -10.181 18.382 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.329 -12.880 18.579 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.209 -10.558 20.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.243 -11.807 21.188 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.646 -14.464 19.499 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.924 -14.011 20.631 1.00 0.00 H new ATOM 857 N PHE A 57 -8.649 -8.594 15.031 1.00 0.00 N ATOM 858 CA PHE A 57 -8.227 -9.020 13.720 1.00 0.00 C ATOM 859 C PHE A 57 -6.988 -9.869 13.833 1.00 0.00 C ATOM 860 O PHE A 57 -6.082 -9.565 14.622 1.00 0.00 O ATOM 861 CB PHE A 57 -7.922 -7.812 12.859 1.00 0.00 C ATOM 862 CG PHE A 57 -9.124 -7.042 12.432 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.758 -6.179 13.288 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.597 -7.167 11.157 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.848 -5.456 12.868 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.682 -6.453 10.735 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.306 -5.598 11.587 1.00 0.00 C ATOM 0 H PHE A 57 -7.964 -8.013 15.514 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.029 -9.601 13.264 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.256 -7.147 13.409 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.382 -8.141 11.971 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.398 -6.067 14.300 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.105 -7.841 10.471 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.342 -4.777 13.547 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.044 -6.568 9.724 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.163 -5.031 11.253 1.00 0.00 H new ATOM 877 N LEU A 58 -6.944 -10.919 13.065 1.00 0.00 N ATOM 878 CA LEU A 58 -5.813 -11.804 13.064 1.00 0.00 C ATOM 879 C LEU A 58 -5.262 -11.969 11.664 1.00 0.00 C ATOM 880 O LEU A 58 -6.007 -12.089 10.702 1.00 0.00 O ATOM 881 CB LEU A 58 -6.165 -13.169 13.675 1.00 0.00 C ATOM 882 CG LEU A 58 -6.085 -13.255 15.210 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.210 -12.490 15.884 1.00 0.00 C ATOM 884 CD2 LEU A 58 -6.056 -14.693 15.678 1.00 0.00 C ATOM 0 H LEU A 58 -7.689 -11.187 12.422 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.041 -11.353 13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.176 -13.434 13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.496 -13.919 13.252 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.148 -12.782 15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.113 -12.579 16.966 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.157 -11.439 15.600 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.169 -12.902 15.571 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.999 -14.720 16.766 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.962 -15.201 15.349 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.185 -15.195 15.257 1.00 0.00 H new ATOM 896 N PHE A 59 -3.961 -11.957 11.561 1.00 0.00 N ATOM 897 CA PHE A 59 -3.296 -12.131 10.296 1.00 0.00 C ATOM 898 C PHE A 59 -2.710 -13.529 10.266 1.00 0.00 C ATOM 899 O PHE A 59 -1.834 -13.842 11.050 1.00 0.00 O ATOM 900 CB PHE A 59 -2.180 -11.092 10.145 1.00 0.00 C ATOM 901 CG PHE A 59 -1.598 -11.005 8.760 1.00 0.00 C ATOM 902 CD1 PHE A 59 -1.945 -9.966 7.914 1.00 0.00 C ATOM 903 CD2 PHE A 59 -0.707 -11.962 8.306 1.00 0.00 C ATOM 904 CE1 PHE A 59 -1.410 -9.878 6.644 1.00 0.00 C ATOM 905 CE2 PHE A 59 -0.169 -11.884 7.038 1.00 0.00 C ATOM 906 CZ PHE A 59 -0.520 -10.839 6.205 1.00 0.00 C ATOM 0 H PHE A 59 -3.330 -11.826 12.352 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.001 -11.998 9.475 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.570 -10.113 10.424 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.381 -11.329 10.848 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.643 -9.214 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.429 -12.781 8.953 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.687 -9.060 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.525 -12.638 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.099 -10.774 5.212 1.00 0.00 H new ATOM 916 N ASP A 60 -3.213 -14.363 9.382 1.00 0.00 N ATOM 917 CA ASP A 60 -2.769 -15.768 9.271 1.00 0.00 C ATOM 918 C ASP A 60 -2.865 -16.503 10.625 1.00 0.00 C ATOM 919 O ASP A 60 -2.123 -17.442 10.904 1.00 0.00 O ATOM 920 CB ASP A 60 -1.346 -15.831 8.712 1.00 0.00 C ATOM 921 CG ASP A 60 -0.896 -17.243 8.382 1.00 0.00 C ATOM 922 OD1 ASP A 60 -1.553 -17.911 7.559 1.00 0.00 O ATOM 923 OD2 ASP A 60 0.133 -17.687 8.941 1.00 0.00 O ATOM 0 H ASP A 60 -3.939 -14.104 8.714 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.438 -16.279 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.288 -15.218 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.658 -15.397 9.438 1.00 0.00 H new ATOM 928 N GLY A 61 -3.800 -16.077 11.443 1.00 0.00 N ATOM 929 CA GLY A 61 -4.025 -16.722 12.720 1.00 0.00 C ATOM 930 C GLY A 61 -3.299 -16.053 13.868 1.00 0.00 C ATOM 931 O GLY A 61 -3.461 -16.449 15.023 1.00 0.00 O ATOM 0 H GLY A 61 -4.417 -15.288 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.094 -16.730 12.931 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.705 -17.762 12.655 1.00 0.00 H new ATOM 935 N ARG A 62 -2.500 -15.045 13.575 1.00 0.00 N ATOM 936 CA ARG A 62 -1.797 -14.338 14.626 1.00 0.00 C ATOM 937 C ARG A 62 -2.418 -12.976 14.852 1.00 0.00 C ATOM 938 O ARG A 62 -2.791 -12.281 13.913 1.00 0.00 O ATOM 939 CB ARG A 62 -0.278 -14.268 14.340 1.00 0.00 C ATOM 940 CG ARG A 62 0.128 -13.504 13.085 1.00 0.00 C ATOM 941 CD ARG A 62 0.241 -12.008 13.327 1.00 0.00 C ATOM 942 NE ARG A 62 1.484 -11.654 14.014 1.00 0.00 N ATOM 943 CZ ARG A 62 1.732 -10.454 14.532 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.794 -9.522 14.516 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.915 -10.190 15.074 1.00 0.00 N ATOM 0 H ARG A 62 -2.323 -14.701 12.631 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.902 -14.896 15.556 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.213 -13.807 15.197 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.105 -15.286 14.262 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.084 -13.884 12.725 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.604 -13.688 12.299 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.192 -11.482 12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.609 -11.672 13.921 1.00 0.00 H new ATOM 0 HE ARG A 62 2.204 -12.371 14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.118 -9.724 14.107 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.983 -8.602 14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.638 -10.909 15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.100 -9.268 15.470 1.00 0.00 H new ATOM 959 N ARG A 63 -2.529 -12.620 16.098 1.00 0.00 N ATOM 960 CA ARG A 63 -3.194 -11.401 16.514 1.00 0.00 C ATOM 961 C ARG A 63 -2.417 -10.171 16.112 1.00 0.00 C ATOM 962 O ARG A 63 -1.205 -10.110 16.280 1.00 0.00 O ATOM 963 CB ARG A 63 -3.383 -11.448 18.011 1.00 0.00 C ATOM 964 CG ARG A 63 -4.332 -12.546 18.451 1.00 0.00 C ATOM 965 CD ARG A 63 -4.179 -12.841 19.920 1.00 0.00 C ATOM 966 NE ARG A 63 -4.446 -11.669 20.752 1.00 0.00 N ATOM 967 CZ ARG A 63 -3.520 -11.038 21.483 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.266 -11.488 21.516 1.00 0.00 N ATOM 969 NH2 ARG A 63 -3.851 -9.966 22.183 1.00 0.00 N ATOM 0 H ARG A 63 -2.158 -13.170 16.872 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.161 -11.336 16.015 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.415 -11.597 18.490 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.764 -10.486 18.355 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.359 -12.248 18.242 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.139 -13.450 17.874 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.860 -13.645 20.200 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.167 -13.198 20.113 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.400 -11.309 20.777 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.008 -12.318 20.982 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.565 -11.003 22.075 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.811 -9.622 22.165 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.146 -9.484 22.741 1.00 0.00 H new ATOM 983 N ILE A 64 -3.130 -9.193 15.592 1.00 0.00 N ATOM 984 CA ILE A 64 -2.525 -7.948 15.144 1.00 0.00 C ATOM 985 C ILE A 64 -2.567 -6.917 16.263 1.00 0.00 C ATOM 986 O ILE A 64 -3.643 -6.582 16.774 1.00 0.00 O ATOM 987 CB ILE A 64 -3.273 -7.385 13.903 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.250 -8.413 12.764 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.647 -6.062 13.444 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.137 -8.048 11.590 1.00 0.00 C ATOM 0 H ILE A 64 -4.141 -9.235 15.467 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.490 -8.154 14.870 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.309 -7.191 14.182 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.225 -8.527 12.411 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.562 -9.381 13.155 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.186 -5.687 12.574 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.707 -5.332 14.251 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.602 -6.226 13.180 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.067 -8.823 10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.170 -7.963 11.927 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.813 -7.095 11.171 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.401 -6.432 16.649 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.290 -5.436 17.698 1.00 0.00 C ATOM 1004 C ASN A 65 -0.699 -4.154 17.151 1.00 0.00 C ATOM 1005 O ASN A 65 -0.099 -4.149 16.082 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.438 -5.951 18.864 1.00 0.00 C ATOM 1007 CG ASN A 65 -1.119 -7.056 19.647 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.961 -6.792 20.504 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -0.756 -8.294 19.372 1.00 0.00 N ATOM 0 H ASN A 65 -0.508 -6.716 16.246 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.294 -5.233 18.072 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.513 -6.318 18.478 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.211 -5.123 19.536 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.177 -9.073 19.878 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.054 -8.472 18.654 1.00 0.00 H new ATOM 1016 N ASP A 66 -0.880 -3.054 17.877 1.00 0.00 N ATOM 1017 CA ASP A 66 -0.331 -1.764 17.455 1.00 0.00 C ATOM 1018 C ASP A 66 1.177 -1.766 17.625 1.00 0.00 C ATOM 1019 O ASP A 66 1.873 -0.889 17.125 1.00 0.00 O ATOM 1020 CB ASP A 66 -0.943 -0.607 18.256 1.00 0.00 C ATOM 1021 CG ASP A 66 -0.632 -0.683 19.736 1.00 0.00 C ATOM 1022 OD1 ASP A 66 0.242 0.069 20.201 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -1.269 -1.482 20.437 1.00 0.00 O ATOM 0 H ASP A 66 -1.399 -3.027 18.755 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.582 -1.618 16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.571 0.338 17.860 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.024 -0.608 18.117 1.00 0.00 H new ATOM 1028 N ASP A 67 1.663 -2.761 18.349 1.00 0.00 N ATOM 1029 CA ASP A 67 3.090 -2.935 18.570 1.00 0.00 C ATOM 1030 C ASP A 67 3.757 -3.522 17.334 1.00 0.00 C ATOM 1031 O ASP A 67 4.970 -3.384 17.139 1.00 0.00 O ATOM 1032 CB ASP A 67 3.330 -3.846 19.780 1.00 0.00 C ATOM 1033 CG ASP A 67 4.796 -4.173 19.985 1.00 0.00 C ATOM 1034 OD1 ASP A 67 5.573 -3.264 20.326 1.00 0.00 O ATOM 1035 OD2 ASP A 67 5.177 -5.351 19.805 1.00 0.00 O ATOM 0 H ASP A 67 1.082 -3.469 18.799 1.00 0.00 H new ATOM 0 HA ASP A 67 3.529 -1.957 18.769 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.941 -3.363 20.676 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.770 -4.772 19.649 1.00 0.00 H new ATOM 1040 N ASP A 68 2.963 -4.167 16.495 1.00 0.00 N ATOM 1041 CA ASP A 68 3.485 -4.782 15.295 1.00 0.00 C ATOM 1042 C ASP A 68 3.884 -3.747 14.274 1.00 0.00 C ATOM 1043 O ASP A 68 3.200 -2.742 14.076 1.00 0.00 O ATOM 1044 CB ASP A 68 2.491 -5.768 14.692 1.00 0.00 C ATOM 1045 CG ASP A 68 2.228 -6.956 15.583 1.00 0.00 C ATOM 1046 OD1 ASP A 68 3.194 -7.635 15.981 1.00 0.00 O ATOM 1047 OD2 ASP A 68 1.054 -7.242 15.873 1.00 0.00 O ATOM 0 H ASP A 68 1.957 -4.276 16.626 1.00 0.00 H new ATOM 0 HA ASP A 68 4.378 -5.337 15.585 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.551 -5.253 14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.871 -6.117 13.732 1.00 0.00 H new ATOM 1052 N THR A 69 4.988 -4.005 13.630 1.00 0.00 N ATOM 1053 CA THR A 69 5.536 -3.124 12.636 1.00 0.00 C ATOM 1054 C THR A 69 5.224 -3.662 11.230 1.00 0.00 C ATOM 1055 O THR A 69 4.863 -4.837 11.085 1.00 0.00 O ATOM 1056 CB THR A 69 7.054 -2.999 12.855 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.641 -4.299 12.844 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.341 -2.333 14.195 1.00 0.00 C ATOM 0 H THR A 69 5.542 -4.848 13.784 1.00 0.00 H new ATOM 0 HA THR A 69 5.085 -2.136 12.726 1.00 0.00 H new ATOM 0 HB THR A 69 7.477 -2.390 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.515 -4.267 13.286 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.419 -2.251 14.337 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.896 -1.338 14.209 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.914 -2.933 14.998 1.00 0.00 H new ATOM 1066 N PRO A 70 5.360 -2.825 10.170 1.00 0.00 N ATOM 1067 CA PRO A 70 5.022 -3.232 8.791 1.00 0.00 C ATOM 1068 C PRO A 70 5.774 -4.482 8.323 1.00 0.00 C ATOM 1069 O PRO A 70 5.205 -5.330 7.639 1.00 0.00 O ATOM 1070 CB PRO A 70 5.443 -2.015 7.942 1.00 0.00 C ATOM 1071 CG PRO A 70 6.322 -1.201 8.834 1.00 0.00 C ATOM 1072 CD PRO A 70 5.810 -1.424 10.221 1.00 0.00 C ATOM 0 HA PRO A 70 3.968 -3.496 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.975 -2.327 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.574 -1.443 7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.363 -1.511 8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.281 -0.145 8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.587 -1.274 10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.995 -0.744 10.467 1.00 0.00 H new ATOM 1080 N LYS A 71 7.035 -4.613 8.716 1.00 0.00 N ATOM 1081 CA LYS A 71 7.830 -5.782 8.332 1.00 0.00 C ATOM 1082 C LYS A 71 7.427 -7.031 9.114 1.00 0.00 C ATOM 1083 O LYS A 71 7.727 -8.146 8.718 1.00 0.00 O ATOM 1084 CB LYS A 71 9.343 -5.510 8.453 1.00 0.00 C ATOM 1085 CG LYS A 71 9.793 -4.771 9.722 1.00 0.00 C ATOM 1086 CD LYS A 71 9.601 -5.585 10.997 1.00 0.00 C ATOM 1087 CE LYS A 71 10.301 -6.934 10.945 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.192 -7.657 12.238 1.00 0.00 N ATOM 0 H LYS A 71 7.529 -3.934 9.295 1.00 0.00 H new ATOM 0 HA LYS A 71 7.615 -5.975 7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.869 -6.464 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.658 -4.929 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.846 -4.505 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.235 -3.838 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.980 -5.016 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.536 -5.740 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.865 -7.540 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.352 -6.790 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.331 -8.675 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.919 -7.306 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.249 -7.496 12.647 1.00 0.00 H new ATOM 1102 N THR A 72 6.772 -6.823 10.228 1.00 0.00 N ATOM 1103 CA THR A 72 6.327 -7.865 11.064 1.00 0.00 C ATOM 1104 C THR A 72 4.983 -8.380 10.580 1.00 0.00 C ATOM 1105 O THR A 72 4.760 -9.588 10.482 1.00 0.00 O ATOM 1106 CB THR A 72 6.220 -7.341 12.490 1.00 0.00 C ATOM 1107 OG1 THR A 72 7.519 -6.982 12.975 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.588 -8.343 13.393 1.00 0.00 C ATOM 0 H THR A 72 6.536 -5.892 10.572 1.00 0.00 H new ATOM 0 HA THR A 72 7.037 -8.692 11.038 1.00 0.00 H new ATOM 0 HB THR A 72 5.582 -6.457 12.480 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.535 -6.026 13.190 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.528 -7.936 14.402 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.585 -8.574 13.034 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.188 -9.253 13.404 1.00 0.00 H new ATOM 1116 N LEU A 73 4.098 -7.451 10.263 1.00 0.00 N ATOM 1117 CA LEU A 73 2.779 -7.798 9.765 1.00 0.00 C ATOM 1118 C LEU A 73 2.871 -8.350 8.358 1.00 0.00 C ATOM 1119 O LEU A 73 2.021 -9.124 7.935 1.00 0.00 O ATOM 1120 CB LEU A 73 1.855 -6.577 9.811 1.00 0.00 C ATOM 1121 CG LEU A 73 1.507 -6.084 11.218 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.747 -4.770 11.164 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.696 -7.138 11.962 1.00 0.00 C ATOM 0 H LEU A 73 4.270 -6.449 10.342 1.00 0.00 H new ATOM 0 HA LEU A 73 2.357 -8.572 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.327 -5.762 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.930 -6.820 9.288 1.00 0.00 H new ATOM 0 HG LEU A 73 2.438 -5.912 11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.513 -4.443 12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.360 -4.015 10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.178 -4.907 10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.456 -6.774 12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.227 -7.339 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.278 -8.056 12.041 1.00 0.00 H new ATOM 1135 N GLU A 74 3.939 -7.954 7.651 1.00 0.00 N ATOM 1136 CA GLU A 74 4.223 -8.422 6.298 1.00 0.00 C ATOM 1137 C GLU A 74 3.027 -8.266 5.351 1.00 0.00 C ATOM 1138 O GLU A 74 2.878 -9.026 4.393 1.00 0.00 O ATOM 1139 CB GLU A 74 4.671 -9.866 6.355 1.00 0.00 C ATOM 1140 CG GLU A 74 6.015 -10.073 7.015 1.00 0.00 C ATOM 1141 CD GLU A 74 6.426 -11.525 7.034 1.00 0.00 C ATOM 1142 OE1 GLU A 74 7.390 -11.884 6.323 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.784 -12.326 7.755 1.00 0.00 O ATOM 0 H GLU A 74 4.631 -7.296 8.009 1.00 0.00 H new ATOM 0 HA GLU A 74 5.019 -7.798 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.921 -10.446 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.712 -10.262 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.770 -9.491 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.978 -9.695 8.037 1.00 0.00 H new ATOM 1150 N MET A 75 2.207 -7.260 5.603 1.00 0.00 N ATOM 1151 CA MET A 75 1.035 -7.002 4.775 1.00 0.00 C ATOM 1152 C MET A 75 1.425 -6.402 3.426 1.00 0.00 C ATOM 1153 O MET A 75 2.542 -5.896 3.252 1.00 0.00 O ATOM 1154 CB MET A 75 0.028 -6.102 5.499 1.00 0.00 C ATOM 1155 CG MET A 75 0.612 -4.792 6.006 1.00 0.00 C ATOM 1156 SD MET A 75 -0.632 -3.712 6.741 1.00 0.00 S ATOM 1157 CE MET A 75 -1.160 -4.692 8.140 1.00 0.00 C ATOM 0 H MET A 75 2.329 -6.605 6.376 1.00 0.00 H new ATOM 0 HA MET A 75 0.554 -7.962 4.587 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.797 -5.881 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.391 -6.650 6.343 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.384 -5.005 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.097 -4.271 5.180 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.411 -4.033 8.971 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.036 -5.278 7.864 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.355 -5.363 8.439 1.00 0.00 H new ATOM 1167 N GLU A 76 0.502 -6.459 2.482 1.00 0.00 N ATOM 1168 CA GLU A 76 0.732 -5.976 1.138 1.00 0.00 C ATOM 1169 C GLU A 76 -0.579 -5.522 0.526 1.00 0.00 C ATOM 1170 O GLU A 76 -1.637 -5.673 1.141 1.00 0.00 O ATOM 1171 CB GLU A 76 1.359 -7.075 0.286 1.00 0.00 C ATOM 1172 CG GLU A 76 0.525 -8.339 0.221 1.00 0.00 C ATOM 1173 CD GLU A 76 1.184 -9.429 -0.576 1.00 0.00 C ATOM 1174 OE1 GLU A 76 2.226 -9.947 -0.133 1.00 0.00 O ATOM 1175 OE2 GLU A 76 0.662 -9.778 -1.653 1.00 0.00 O ATOM 0 H GLU A 76 -0.431 -6.844 2.630 1.00 0.00 H new ATOM 0 HA GLU A 76 1.418 -5.130 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.512 -6.697 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.343 -7.318 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.337 -8.698 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.444 -8.107 -0.220 1.00 0.00 H new ATOM 1182 N ASP A 77 -0.512 -4.965 -0.674 1.00 0.00 N ATOM 1183 CA ASP A 77 -1.697 -4.478 -1.345 1.00 0.00 C ATOM 1184 C ASP A 77 -2.649 -5.617 -1.704 1.00 0.00 C ATOM 1185 O ASP A 77 -2.305 -6.541 -2.456 1.00 0.00 O ATOM 1186 CB ASP A 77 -1.330 -3.680 -2.590 1.00 0.00 C ATOM 1187 CG ASP A 77 -2.543 -3.046 -3.238 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -3.106 -2.099 -2.647 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -2.934 -3.482 -4.334 1.00 0.00 O ATOM 0 H ASP A 77 0.353 -4.841 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.214 -3.817 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.614 -2.903 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.837 -4.335 -3.308 1.00 0.00 H new ATOM 1194 N ASP A 78 -3.829 -5.518 -1.134 1.00 0.00 N ATOM 1195 CA ASP A 78 -4.946 -6.447 -1.299 1.00 0.00 C ATOM 1196 C ASP A 78 -4.671 -7.786 -0.611 1.00 0.00 C ATOM 1197 O ASP A 78 -5.106 -8.841 -1.073 1.00 0.00 O ATOM 1198 CB ASP A 78 -5.318 -6.640 -2.770 1.00 0.00 C ATOM 1199 CG ASP A 78 -6.691 -7.254 -2.947 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -7.684 -6.620 -2.528 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -6.785 -8.361 -3.531 1.00 0.00 O ATOM 0 H ASP A 78 -4.057 -4.747 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.808 -5.997 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.287 -5.676 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.574 -7.277 -3.249 1.00 0.00 H new ATOM 1206 N ASP A 79 -3.955 -7.739 0.513 1.00 0.00 N ATOM 1207 CA ASP A 79 -3.708 -8.950 1.294 1.00 0.00 C ATOM 1208 C ASP A 79 -4.952 -9.286 2.094 1.00 0.00 C ATOM 1209 O ASP A 79 -5.941 -8.562 2.037 1.00 0.00 O ATOM 1210 CB ASP A 79 -2.501 -8.824 2.222 1.00 0.00 C ATOM 1211 CG ASP A 79 -1.916 -10.189 2.579 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -2.376 -10.807 3.548 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -1.006 -10.656 1.865 1.00 0.00 O ATOM 0 H ASP A 79 -3.542 -6.890 0.898 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.476 -9.753 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.735 -8.215 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.796 -8.305 3.134 1.00 0.00 H new ATOM 1218 N VAL A 80 -4.913 -10.358 2.831 1.00 0.00 N ATOM 1219 CA VAL A 80 -6.073 -10.819 3.543 1.00 0.00 C ATOM 1220 C VAL A 80 -5.892 -10.715 5.052 1.00 0.00 C ATOM 1221 O VAL A 80 -4.793 -10.866 5.583 1.00 0.00 O ATOM 1222 CB VAL A 80 -6.395 -12.276 3.166 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.759 -12.368 1.697 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -5.206 -13.167 3.468 1.00 0.00 C ATOM 0 H VAL A 80 -4.082 -10.936 2.956 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.902 -10.174 3.254 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.246 -12.613 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.985 -13.403 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.633 -11.747 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.922 -12.020 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.444 -14.196 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.344 -12.831 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.974 -13.116 4.532 1.00 0.00 H new ATOM 1234 N ILE A 81 -6.983 -10.447 5.718 1.00 0.00 N ATOM 1235 CA ILE A 81 -7.023 -10.323 7.155 1.00 0.00 C ATOM 1236 C ILE A 81 -8.218 -11.098 7.713 1.00 0.00 C ATOM 1237 O ILE A 81 -9.280 -11.120 7.103 1.00 0.00 O ATOM 1238 CB ILE A 81 -7.061 -8.825 7.576 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -5.646 -8.315 7.899 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -8.023 -8.565 8.707 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.603 -6.885 8.409 1.00 0.00 C ATOM 0 H ILE A 81 -7.888 -10.305 5.270 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.115 -10.755 7.576 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.439 -8.259 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.197 -8.969 8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.032 -8.388 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.009 -7.505 8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.029 -8.852 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.727 -9.150 9.578 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.570 -6.602 8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.020 -6.217 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.188 -6.808 9.325 1.00 0.00 H new ATOM 1253 N GLU A 82 -8.036 -11.741 8.859 1.00 0.00 N ATOM 1254 CA GLU A 82 -9.086 -12.576 9.436 1.00 0.00 C ATOM 1255 C GLU A 82 -9.711 -11.919 10.663 1.00 0.00 C ATOM 1256 O GLU A 82 -9.038 -11.212 11.411 1.00 0.00 O ATOM 1257 CB GLU A 82 -8.506 -13.934 9.812 1.00 0.00 C ATOM 1258 CG GLU A 82 -7.844 -14.649 8.649 1.00 0.00 C ATOM 1259 CD GLU A 82 -7.245 -15.973 9.041 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -6.029 -16.024 9.316 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -7.984 -16.980 9.060 1.00 0.00 O ATOM 0 H GLU A 82 -7.176 -11.702 9.407 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.871 -12.702 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.776 -13.801 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.302 -14.563 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.579 -14.808 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.064 -14.011 8.234 1.00 0.00 H new ATOM 1268 N VAL A 83 -10.998 -12.150 10.858 1.00 0.00 N ATOM 1269 CA VAL A 83 -11.723 -11.599 11.999 1.00 0.00 C ATOM 1270 C VAL A 83 -12.413 -12.688 12.781 1.00 0.00 C ATOM 1271 O VAL A 83 -13.072 -13.555 12.210 1.00 0.00 O ATOM 1272 CB VAL A 83 -12.784 -10.561 11.574 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.582 -10.063 12.775 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.137 -9.407 10.887 1.00 0.00 C ATOM 0 H VAL A 83 -11.571 -12.721 10.236 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.975 -11.106 12.620 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.470 -11.052 10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.321 -9.333 12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.089 -10.904 13.249 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.907 -9.596 13.492 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.899 -8.684 10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.427 -8.932 11.564 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.611 -9.760 10.000 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.247 -12.649 14.077 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.920 -13.573 14.949 1.00 0.00 C ATOM 1286 C TYR A 84 -14.119 -12.902 15.577 1.00 0.00 C ATOM 1287 O TYR A 84 -14.074 -11.705 15.883 1.00 0.00 O ATOM 1288 CB TYR A 84 -11.966 -14.115 15.999 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.000 -15.131 15.442 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -9.834 -14.745 14.798 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.268 -16.481 15.556 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -8.963 -15.685 14.285 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.404 -17.427 15.049 1.00 0.00 C ATOM 1294 CZ TYR A 84 -9.253 -17.025 14.414 1.00 0.00 C ATOM 1295 OH TYR A 84 -8.386 -17.965 13.908 1.00 0.00 O ATOM 0 H TYR A 84 -11.644 -11.979 14.555 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.273 -14.424 14.366 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.405 -13.288 16.435 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.541 -14.571 16.805 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.604 -13.695 14.696 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.172 -16.801 16.052 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.059 -15.371 13.785 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.630 -18.478 15.150 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.738 -18.863 14.084 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.190 -13.659 15.766 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.421 -13.092 16.289 1.00 0.00 C ATOM 1307 C GLN A 85 -16.228 -12.718 17.744 1.00 0.00 C ATOM 1308 O GLN A 85 -15.675 -13.492 18.528 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.594 -14.057 16.115 1.00 0.00 C ATOM 1310 CG GLN A 85 -18.940 -13.432 16.440 1.00 0.00 C ATOM 1311 CD GLN A 85 -19.260 -12.247 15.535 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -18.878 -12.215 14.362 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -19.950 -11.265 16.074 1.00 0.00 N ATOM 0 H GLN A 85 -15.231 -14.658 15.567 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.662 -12.192 15.723 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.608 -14.419 15.087 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.440 -14.925 16.756 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.722 -14.185 16.339 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -18.945 -13.104 17.480 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -20.249 -11.326 17.047 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.186 -10.443 15.519 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.683 -11.538 18.102 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.400 -10.989 19.397 1.00 0.00 C ATOM 1324 C GLU A 86 -17.494 -11.262 20.459 1.00 0.00 C ATOM 1325 O GLU A 86 -18.244 -12.231 20.361 1.00 0.00 O ATOM 1326 CB GLU A 86 -16.039 -9.507 19.262 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.000 -8.678 18.459 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.254 -8.415 19.196 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.182 -7.885 20.331 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.314 -8.748 18.669 1.00 0.00 O ATOM 0 H GLU A 86 -17.255 -10.941 17.505 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.534 -11.519 19.793 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.962 -9.077 20.261 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.052 -9.432 18.806 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.529 -7.731 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.229 -9.191 17.525 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.543 -10.402 21.470 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.381 -10.584 22.649 1.00 0.00 C ATOM 1339 C GLN A 87 -19.828 -10.124 22.443 1.00 0.00 C ATOM 1340 O GLN A 87 -20.768 -10.902 22.629 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.746 -9.805 23.813 1.00 0.00 C ATOM 1342 CG GLN A 87 -18.562 -9.772 25.094 1.00 0.00 C ATOM 1343 CD GLN A 87 -18.840 -11.151 25.655 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.869 -11.753 25.364 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.923 -11.663 26.452 1.00 0.00 N ATOM 0 H GLN A 87 -16.992 -9.544 21.494 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.431 -11.652 22.862 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -16.772 -10.243 24.033 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.568 -8.780 23.488 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.031 -9.182 25.841 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.508 -9.266 24.902 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.081 -11.130 26.669 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.056 -12.592 26.851 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.998 -8.874 22.052 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.320 -8.274 21.939 1.00 0.00 C ATOM 1356 C LEU A 88 -22.179 -8.914 20.856 1.00 0.00 C ATOM 1357 O LEU A 88 -23.379 -9.103 21.042 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.211 -6.757 21.749 1.00 0.00 C ATOM 1359 CG LEU A 88 -20.730 -5.980 22.969 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -20.532 -4.519 22.623 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -21.713 -6.129 24.118 1.00 0.00 C ATOM 0 H LEU A 88 -19.231 -8.248 21.805 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.835 -8.470 22.879 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.530 -6.559 20.921 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -22.188 -6.373 21.456 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.771 -6.392 23.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -20.189 -3.979 23.506 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.788 -4.430 21.831 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -21.477 -4.094 22.283 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -21.353 -5.568 24.980 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -22.687 -5.744 23.816 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -21.805 -7.182 24.384 1.00 0.00 H new