USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.65! C(o=-1.6!,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 5:sc= 0.109 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 4:sc= 0.572 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0286) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= 0.0201 (180deg=0.00159) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.583 (180deg=-0.647) USER MOD Single : A 53 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -1.07 USER MOD Single : A 70 ASN : amide:sc= -0.958! C(o=-0.96!,f=-0.99!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.085 12.796 8.914 1.00 0.00 N ATOM 95 CA LYS A 10 0.690 12.731 7.589 1.00 0.00 C ATOM 96 C LYS A 10 1.655 11.553 7.489 1.00 0.00 C ATOM 97 O LYS A 10 1.346 10.535 6.870 1.00 0.00 O ATOM 98 CB LYS A 10 1.427 14.035 7.277 1.00 0.00 C ATOM 99 CG LYS A 10 0.544 15.268 7.365 1.00 0.00 C ATOM 100 CD LYS A 10 -0.510 15.278 6.271 1.00 0.00 C ATOM 101 CE LYS A 10 -1.695 16.154 6.647 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.330 17.597 6.682 1.00 0.00 N ATOM 0 HA LYS A 10 -0.107 12.588 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.261 14.146 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.851 13.972 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.058 15.300 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.160 16.164 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.069 15.640 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.853 14.260 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.502 16.001 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.075 15.852 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.165 18.160 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.578 17.748 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.992 17.892 5.744 1.00 0.00 H new ATOM 116 N LYS A 11 2.824 11.699 8.104 1.00 0.00 N ATOM 117 CA LYS A 11 3.834 10.647 8.087 1.00 0.00 C ATOM 118 C LYS A 11 3.267 9.340 8.633 1.00 0.00 C ATOM 119 O LYS A 11 2.286 9.324 9.376 1.00 0.00 O ATOM 120 CB LYS A 11 5.054 11.069 8.909 1.00 0.00 C ATOM 121 CG LYS A 11 5.977 12.029 8.178 1.00 0.00 C ATOM 122 CD LYS A 11 7.393 11.966 8.726 1.00 0.00 C ATOM 123 CE LYS A 11 8.133 10.737 8.220 1.00 0.00 C ATOM 124 NZ LYS A 11 8.629 10.923 6.828 1.00 0.00 N ATOM 0 H LYS A 11 3.095 12.536 8.620 1.00 0.00 H new ATOM 0 HA LYS A 11 4.139 10.487 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.715 11.537 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.618 10.179 9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.986 11.788 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.594 13.045 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.937 12.865 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.362 11.950 9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.974 10.522 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.470 9.873 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.128 10.064 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.825 11.103 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.282 11.732 6.797 1.00 0.00 H new ATOM 138 N PRO A 12 3.900 8.218 8.259 1.00 0.00 N ATOM 139 CA PRO A 12 3.477 6.886 8.702 1.00 0.00 C ATOM 140 C PRO A 12 3.742 6.657 10.186 1.00 0.00 C ATOM 141 O PRO A 12 4.887 6.562 10.629 1.00 0.00 O ATOM 142 CB PRO A 12 4.333 5.942 7.854 1.00 0.00 C ATOM 143 CG PRO A 12 5.542 6.739 7.503 1.00 0.00 C ATOM 144 CD PRO A 12 5.076 8.163 7.375 1.00 0.00 C ATOM 0 HA PRO A 12 2.404 6.737 8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.599 5.043 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.799 5.618 6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.308 6.647 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.984 6.388 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.847 8.868 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.817 8.410 6.345 1.00 0.00 H new ATOM 152 N PRO A 13 2.660 6.566 10.974 1.00 0.00 N ATOM 153 CA PRO A 13 2.751 6.347 12.420 1.00 0.00 C ATOM 154 C PRO A 13 3.241 4.944 12.764 1.00 0.00 C ATOM 155 O PRO A 13 3.334 4.079 11.895 1.00 0.00 O ATOM 156 CB PRO A 13 1.311 6.543 12.900 1.00 0.00 C ATOM 157 CG PRO A 13 0.470 6.230 11.711 1.00 0.00 C ATOM 158 CD PRO A 13 1.266 6.671 10.514 1.00 0.00 C ATOM 0 HA PRO A 13 3.467 7.021 12.890 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.078 5.882 13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.144 7.563 13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.247 5.164 11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.485 6.754 11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.079 6.033 9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.016 7.690 10.218 1.00 0.00 H new ATOM 166 N ASN A 14 3.551 4.726 14.038 1.00 0.00 N ATOM 167 CA ASN A 14 4.031 3.427 14.496 1.00 0.00 C ATOM 168 C ASN A 14 3.106 2.309 14.026 1.00 0.00 C ATOM 169 O ASN A 14 2.050 2.074 14.615 1.00 0.00 O ATOM 170 CB ASN A 14 4.138 3.409 16.022 1.00 0.00 C ATOM 171 CG ASN A 14 2.779 3.387 16.696 1.00 0.00 C ATOM 172 OD1 ASN A 14 2.350 2.358 17.219 1.00 0.00 O ATOM 173 ND2 ASN A 14 2.095 4.525 16.687 1.00 0.00 N ATOM 0 H ASN A 14 3.478 5.431 14.771 1.00 0.00 H new ATOM 0 HA ASN A 14 5.019 3.261 14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.709 2.534 16.333 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.692 4.287 16.355 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.175 4.571 17.125 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.489 5.354 16.242 1.00 0.00 H new ATOM 180 N ARG A 15 3.510 1.621 12.963 1.00 0.00 N ATOM 181 CA ARG A 15 2.718 0.528 12.414 1.00 0.00 C ATOM 182 C ARG A 15 3.619 -0.573 11.862 1.00 0.00 C ATOM 183 O ARG A 15 4.220 -0.441 10.796 1.00 0.00 O ATOM 184 CB ARG A 15 1.792 1.044 11.311 1.00 0.00 C ATOM 185 CG ARG A 15 1.051 -0.058 10.572 1.00 0.00 C ATOM 186 CD ARG A 15 -0.305 0.419 10.075 1.00 0.00 C ATOM 187 NE ARG A 15 -1.169 0.849 11.171 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.857 0.010 11.937 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.781 -1.297 11.729 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.622 0.478 12.915 1.00 0.00 N ATOM 0 H ARG A 15 4.382 1.802 12.465 1.00 0.00 H new ATOM 0 HA ARG A 15 2.115 0.110 13.220 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.065 1.728 11.749 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.379 1.619 10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.650 -0.398 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.917 -0.914 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.165 1.245 9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.792 -0.385 9.523 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.248 1.848 11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.193 -1.661 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.310 -1.939 12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.682 1.483 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.150 -0.167 13.503 1.00 0.00 H new ATOM 204 N PRO A 16 3.716 -1.686 12.604 1.00 0.00 N ATOM 205 CA PRO A 16 4.542 -2.831 12.209 1.00 0.00 C ATOM 206 C PRO A 16 3.971 -3.568 11.003 1.00 0.00 C ATOM 207 O PRO A 16 2.970 -4.274 11.111 1.00 0.00 O ATOM 208 CB PRO A 16 4.516 -3.731 13.447 1.00 0.00 C ATOM 209 CG PRO A 16 3.249 -3.377 14.147 1.00 0.00 C ATOM 210 CD PRO A 16 3.028 -1.912 13.886 1.00 0.00 C ATOM 0 HA PRO A 16 5.544 -2.526 11.908 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.534 -4.785 13.170 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.383 -3.554 14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.416 -3.971 13.771 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.325 -3.576 15.216 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.967 -1.671 13.820 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.446 -1.295 14.681 1.00 0.00 H new ATOM 218 N GLY A 17 4.616 -3.400 9.852 1.00 0.00 N ATOM 219 CA GLY A 17 4.158 -4.056 8.642 1.00 0.00 C ATOM 220 C GLY A 17 3.975 -3.087 7.491 1.00 0.00 C ATOM 221 O GLY A 17 4.761 -3.084 6.542 1.00 0.00 O ATOM 0 H GLY A 17 5.448 -2.821 9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.876 -4.825 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.213 -4.561 8.842 1.00 0.00 H new ATOM 225 N ILE A 18 2.935 -2.264 7.572 1.00 0.00 N ATOM 226 CA ILE A 18 2.651 -1.287 6.528 1.00 0.00 C ATOM 227 C ILE A 18 3.632 -0.120 6.586 1.00 0.00 C ATOM 228 O ILE A 18 3.995 0.348 7.666 1.00 0.00 O ATOM 229 CB ILE A 18 1.215 -0.742 6.642 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.220 -1.895 6.789 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.874 0.108 5.428 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.221 -1.442 6.876 1.00 0.00 C ATOM 0 H ILE A 18 2.275 -2.254 8.350 1.00 0.00 H new ATOM 0 HA ILE A 18 2.760 -1.804 5.574 1.00 0.00 H new ATOM 0 HB ILE A 18 1.149 -0.114 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.330 -2.569 5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.468 -2.466 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.144 0.486 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.568 0.946 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.953 -0.498 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.870 -2.312 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.346 -0.791 7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.486 -0.896 5.970 1.00 0.00 H new ATOM 244 N THR A 19 4.056 0.348 5.417 1.00 0.00 N ATOM 245 CA THR A 19 4.994 1.461 5.334 1.00 0.00 C ATOM 246 C THR A 19 4.701 2.337 4.122 1.00 0.00 C ATOM 247 O THR A 19 5.000 1.965 2.987 1.00 0.00 O ATOM 248 CB THR A 19 6.450 0.964 5.254 1.00 0.00 C ATOM 249 OG1 THR A 19 6.869 0.469 6.531 1.00 0.00 O ATOM 250 CG2 THR A 19 7.379 2.082 4.809 1.00 0.00 C ATOM 0 H THR A 19 3.765 -0.026 4.514 1.00 0.00 H new ATOM 0 HA THR A 19 4.868 2.049 6.243 1.00 0.00 H new ATOM 0 HB THR A 19 6.497 0.160 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.110 0.479 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.401 1.708 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.075 2.437 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.328 2.904 5.523 1.00 0.00 H new ATOM 258 N PHE A 20 4.115 3.504 4.369 1.00 0.00 N ATOM 259 CA PHE A 20 3.781 4.434 3.296 1.00 0.00 C ATOM 260 C PHE A 20 5.044 5.009 2.662 1.00 0.00 C ATOM 261 O PHE A 20 5.685 5.896 3.226 1.00 0.00 O ATOM 262 CB PHE A 20 2.903 5.568 3.830 1.00 0.00 C ATOM 263 CG PHE A 20 1.813 5.099 4.750 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.051 3.985 4.433 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.549 5.771 5.933 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.047 3.552 5.277 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.546 5.342 6.782 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.206 4.230 6.454 1.00 0.00 C ATOM 0 H PHE A 20 3.862 3.828 5.302 1.00 0.00 H new ATOM 0 HA PHE A 20 3.230 3.886 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.531 6.285 4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.455 6.097 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.245 3.449 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.134 6.640 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.540 2.684 5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.350 5.875 7.701 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.989 3.892 7.116 1.00 0.00 H new ATOM 278 N GLU A 21 5.396 4.497 1.487 1.00 0.00 N ATOM 279 CA GLU A 21 6.583 4.959 0.778 1.00 0.00 C ATOM 280 C GLU A 21 6.378 4.884 -0.733 1.00 0.00 C ATOM 281 O GLU A 21 5.320 4.469 -1.206 1.00 0.00 O ATOM 282 CB GLU A 21 7.801 4.125 1.180 1.00 0.00 C ATOM 283 CG GLU A 21 7.817 2.735 0.566 1.00 0.00 C ATOM 284 CD GLU A 21 9.199 2.110 0.573 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.967 2.358 -0.380 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.512 1.373 1.532 1.00 0.00 O ATOM 0 H GLU A 21 4.876 3.763 1.006 1.00 0.00 H new ATOM 0 HA GLU A 21 6.757 5.999 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.707 4.654 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.826 4.034 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.129 2.092 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.453 2.791 -0.460 1.00 0.00 H new ATOM 293 N ILE A 22 7.397 5.289 -1.483 1.00 0.00 N ATOM 294 CA ILE A 22 7.329 5.267 -2.939 1.00 0.00 C ATOM 295 C ILE A 22 7.735 3.904 -3.488 1.00 0.00 C ATOM 296 O ILE A 22 8.892 3.500 -3.385 1.00 0.00 O ATOM 297 CB ILE A 22 8.233 6.348 -3.561 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.759 7.742 -3.144 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.248 6.218 -5.076 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.293 7.989 -3.421 1.00 0.00 C ATOM 0 H ILE A 22 8.279 5.636 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 22 6.293 5.471 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 22 9.250 6.206 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.947 7.877 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.351 8.491 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.891 6.989 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.628 5.235 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.235 6.337 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.027 8.996 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.102 7.886 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.692 7.263 -2.873 1.00 0.00 H new ATOM 312 N GLY A 23 6.772 3.198 -4.074 1.00 0.00 N ATOM 313 CA GLY A 23 7.049 1.887 -4.633 1.00 0.00 C ATOM 314 C GLY A 23 6.710 0.764 -3.672 1.00 0.00 C ATOM 315 O GLY A 23 6.868 -0.411 -4.001 1.00 0.00 O ATOM 0 H GLY A 23 5.806 3.510 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.478 1.759 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.104 1.825 -4.902 1.00 0.00 H new ATOM 319 N ALA A 24 6.244 1.126 -2.482 1.00 0.00 N ATOM 320 CA ALA A 24 5.882 0.140 -1.471 1.00 0.00 C ATOM 321 C ALA A 24 4.747 -0.754 -1.958 1.00 0.00 C ATOM 322 O ALA A 24 3.804 -0.284 -2.597 1.00 0.00 O ATOM 323 CB ALA A 24 5.491 0.833 -0.174 1.00 0.00 C ATOM 0 H ALA A 24 6.108 2.095 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 24 6.752 -0.490 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.223 0.085 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.331 1.424 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.638 1.487 -0.354 1.00 0.00 H new ATOM 329 N ARG A 25 4.843 -2.044 -1.654 1.00 0.00 N ATOM 330 CA ARG A 25 3.825 -3.003 -2.063 1.00 0.00 C ATOM 331 C ARG A 25 2.947 -3.402 -0.880 1.00 0.00 C ATOM 332 O ARG A 25 3.420 -4.014 0.079 1.00 0.00 O ATOM 333 CB ARG A 25 4.479 -4.247 -2.668 1.00 0.00 C ATOM 334 CG ARG A 25 5.375 -3.945 -3.858 1.00 0.00 C ATOM 335 CD ARG A 25 6.337 -5.089 -4.135 1.00 0.00 C ATOM 336 NE ARG A 25 7.508 -4.650 -4.890 1.00 0.00 N ATOM 337 CZ ARG A 25 8.466 -5.471 -5.304 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.394 -6.768 -5.038 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.500 -4.996 -5.986 1.00 0.00 N ATOM 0 H ARG A 25 5.616 -2.449 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 25 3.197 -2.528 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.067 -4.749 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.699 -4.943 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.761 -3.763 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.939 -3.032 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.659 -5.529 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.820 -5.871 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 25 7.595 -3.658 -5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.601 -7.138 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.132 -7.396 -5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.560 -3.999 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.235 -5.628 -6.303 1.00 0.00 H new ATOM 353 N LEU A 26 1.668 -3.052 -0.955 1.00 0.00 N ATOM 354 CA LEU A 26 0.723 -3.373 0.110 1.00 0.00 C ATOM 355 C LEU A 26 -0.661 -3.664 -0.460 1.00 0.00 C ATOM 356 O LEU A 26 -0.884 -3.545 -1.664 1.00 0.00 O ATOM 357 CB LEU A 26 0.643 -2.220 1.112 1.00 0.00 C ATOM 358 CG LEU A 26 0.330 -0.842 0.526 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.530 -0.301 -0.236 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.892 -0.912 -0.378 1.00 0.00 C ATOM 0 H LEU A 26 1.261 -2.546 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 26 1.080 -4.267 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.121 -2.460 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.593 -2.160 1.643 1.00 0.00 H new ATOM 0 HG LEU A 26 0.110 -0.160 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.289 0.680 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.381 -0.213 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.782 -0.982 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.100 0.077 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.701 -1.609 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.752 -1.255 0.198 1.00 0.00 H new ATOM 372 N GLU A 27 -1.588 -4.042 0.415 1.00 0.00 N ATOM 373 CA GLU A 27 -2.951 -4.348 -0.002 1.00 0.00 C ATOM 374 C GLU A 27 -3.869 -3.148 0.214 1.00 0.00 C ATOM 375 O GLU A 27 -3.684 -2.374 1.153 1.00 0.00 O ATOM 376 CB GLU A 27 -3.485 -5.558 0.768 1.00 0.00 C ATOM 377 CG GLU A 27 -2.676 -6.825 0.547 1.00 0.00 C ATOM 378 CD GLU A 27 -3.192 -7.996 1.362 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.308 -8.475 1.072 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.478 -8.433 2.289 1.00 0.00 O ATOM 0 H GLU A 27 -1.420 -4.143 1.416 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.933 -4.583 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.496 -5.325 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.518 -5.740 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.698 -7.086 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.634 -6.637 0.807 1.00 0.00 H new ATOM 387 N ALA A 28 -4.858 -3.002 -0.661 1.00 0.00 N ATOM 388 CA ALA A 28 -5.805 -1.898 -0.566 1.00 0.00 C ATOM 389 C ALA A 28 -7.242 -2.407 -0.552 1.00 0.00 C ATOM 390 O ALA A 28 -7.596 -3.319 -1.301 1.00 0.00 O ATOM 391 CB ALA A 28 -5.599 -0.925 -1.717 1.00 0.00 C ATOM 0 H ALA A 28 -5.024 -3.634 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.623 -1.376 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.313 -0.106 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.585 -0.528 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.751 -1.444 -2.664 1.00 0.00 H new ATOM 397 N LEU A 29 -8.067 -1.815 0.305 1.00 0.00 N ATOM 398 CA LEU A 29 -9.467 -2.209 0.417 1.00 0.00 C ATOM 399 C LEU A 29 -10.342 -1.382 -0.519 1.00 0.00 C ATOM 400 O LEU A 29 -10.603 -0.206 -0.263 1.00 0.00 O ATOM 401 CB LEU A 29 -9.948 -2.049 1.860 1.00 0.00 C ATOM 402 CG LEU A 29 -11.275 -2.727 2.204 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.069 -4.216 2.432 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.902 -2.080 3.430 1.00 0.00 C ATOM 0 H LEU A 29 -7.790 -1.060 0.933 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.549 -3.257 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.179 -2.443 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.040 -0.984 2.075 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.956 -2.599 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.024 -4.682 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.664 -4.670 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.372 -4.365 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.845 -2.575 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.225 -2.177 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.085 -1.024 3.231 1.00 0.00 H new ATOM 416 N ASP A 30 -10.795 -2.005 -1.601 1.00 0.00 N ATOM 417 CA ASP A 30 -11.645 -1.327 -2.574 1.00 0.00 C ATOM 418 C ASP A 30 -13.028 -1.056 -1.991 1.00 0.00 C ATOM 419 O ASP A 30 -13.415 -1.647 -0.982 1.00 0.00 O ATOM 420 CB ASP A 30 -11.769 -2.167 -3.846 1.00 0.00 C ATOM 421 CG ASP A 30 -12.677 -3.367 -3.661 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.235 -3.525 -2.555 1.00 0.00 O ATOM 423 OD2 ASP A 30 -12.829 -4.149 -4.623 1.00 0.00 O ATOM 0 H ASP A 30 -10.588 -2.978 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.182 -0.372 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.155 -1.544 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.779 -2.507 -4.151 1.00 0.00 H new ATOM 428 N TYR A 31 -13.769 -0.159 -2.632 1.00 0.00 N ATOM 429 CA TYR A 31 -15.108 0.194 -2.175 1.00 0.00 C ATOM 430 C TYR A 31 -15.961 -1.055 -1.975 1.00 0.00 C ATOM 431 O TYR A 31 -17.002 -1.011 -1.318 1.00 0.00 O ATOM 432 CB TYR A 31 -15.782 1.131 -3.179 1.00 0.00 C ATOM 433 CG TYR A 31 -15.865 0.561 -4.577 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.814 0.711 -5.474 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.995 -0.127 -5.002 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.886 0.193 -6.752 1.00 0.00 C ATOM 437 CE2 TYR A 31 -17.075 -0.650 -6.278 1.00 0.00 C ATOM 438 CZ TYR A 31 -16.018 -0.487 -7.150 1.00 0.00 C ATOM 439 OH TYR A 31 -16.095 -1.006 -8.422 1.00 0.00 O ATOM 0 H TYR A 31 -13.465 0.337 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.015 0.706 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.788 1.362 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.232 2.072 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.925 1.242 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.825 -0.255 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.060 0.320 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.960 -1.184 -6.591 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.958 -1.455 -8.540 1.00 0.00 H new ATOM 449 N LEU A 32 -15.513 -2.167 -2.546 1.00 0.00 N ATOM 450 CA LEU A 32 -16.234 -3.430 -2.431 1.00 0.00 C ATOM 451 C LEU A 32 -15.765 -4.216 -1.210 1.00 0.00 C ATOM 452 O LEU A 32 -16.016 -5.415 -1.099 1.00 0.00 O ATOM 453 CB LEU A 32 -16.040 -4.268 -3.696 1.00 0.00 C ATOM 454 CG LEU A 32 -16.664 -3.707 -4.974 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.099 -4.412 -6.198 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.179 -3.841 -4.932 1.00 0.00 C ATOM 0 H LEU A 32 -14.654 -2.220 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.294 -3.205 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.970 -4.395 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.455 -5.260 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.415 -2.648 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.555 -4.000 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.020 -4.264 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.317 -5.478 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.606 -3.436 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.449 -4.893 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.569 -3.290 -4.077 1.00 0.00 H new ATOM 468 N GLN A 33 -15.084 -3.530 -0.297 1.00 0.00 N ATOM 469 CA GLN A 33 -14.582 -4.164 0.916 1.00 0.00 C ATOM 470 C GLN A 33 -13.774 -5.414 0.582 1.00 0.00 C ATOM 471 O GLN A 33 -13.785 -6.392 1.330 1.00 0.00 O ATOM 472 CB GLN A 33 -15.742 -4.526 1.846 1.00 0.00 C ATOM 473 CG GLN A 33 -16.511 -3.318 2.357 1.00 0.00 C ATOM 474 CD GLN A 33 -17.188 -3.578 3.688 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.989 -4.503 3.820 1.00 0.00 O ATOM 476 NE2 GLN A 33 -16.868 -2.761 4.685 1.00 0.00 N ATOM 0 H GLN A 33 -14.868 -2.536 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.928 -3.454 1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.429 -5.186 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.354 -5.086 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.829 -2.474 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.263 -3.032 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.199 -2.007 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.291 -2.888 5.604 1.00 0.00 H new ATOM 485 N LYS A 34 -13.073 -5.375 -0.546 1.00 0.00 N ATOM 486 CA LYS A 34 -12.257 -6.503 -0.979 1.00 0.00 C ATOM 487 C LYS A 34 -10.773 -6.201 -0.804 1.00 0.00 C ATOM 488 O LYS A 34 -10.355 -5.044 -0.856 1.00 0.00 O ATOM 489 CB LYS A 34 -12.551 -6.838 -2.443 1.00 0.00 C ATOM 490 CG LYS A 34 -13.942 -7.405 -2.671 1.00 0.00 C ATOM 491 CD LYS A 34 -14.066 -8.815 -2.120 1.00 0.00 C ATOM 492 CE LYS A 34 -15.514 -9.169 -1.816 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.303 -9.393 -3.059 1.00 0.00 N ATOM 0 H LYS A 34 -13.054 -4.574 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.510 -7.362 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.433 -5.936 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.812 -7.557 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.681 -6.761 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.164 -7.410 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.660 -9.525 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.470 -8.906 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.546 -10.067 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.970 -8.367 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.284 -9.632 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.294 -8.528 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.883 -10.176 -3.600 1.00 0.00 H new ATOM 507 N TRP A 35 -9.981 -7.247 -0.596 1.00 0.00 N ATOM 508 CA TRP A 35 -8.542 -7.092 -0.415 1.00 0.00 C ATOM 509 C TRP A 35 -7.790 -7.464 -1.688 1.00 0.00 C ATOM 510 O TRP A 35 -8.104 -8.462 -2.337 1.00 0.00 O ATOM 511 CB TRP A 35 -8.058 -7.958 0.750 1.00 0.00 C ATOM 512 CG TRP A 35 -8.628 -7.545 2.073 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.477 -8.268 2.861 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.391 -6.312 2.761 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.782 -7.559 3.998 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.127 -6.356 3.961 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.626 -5.177 2.482 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.121 -5.308 4.877 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.621 -4.137 3.392 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.364 -4.208 4.578 1.00 0.00 C ATOM 0 H TRP A 35 -10.311 -8.211 -0.549 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.340 -6.045 -0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.324 -8.997 0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.970 -7.912 0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.853 -9.252 2.625 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.396 -7.877 4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.049 -5.113 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.693 -5.361 5.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.034 -3.254 3.186 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.339 -3.379 5.269 1.00 0.00 H new ATOM 531 N TYR A 36 -6.795 -6.657 -2.039 1.00 0.00 N ATOM 532 CA TYR A 36 -5.999 -6.901 -3.236 1.00 0.00 C ATOM 533 C TYR A 36 -4.654 -6.186 -3.151 1.00 0.00 C ATOM 534 O TYR A 36 -4.503 -5.172 -2.469 1.00 0.00 O ATOM 535 CB TYR A 36 -6.758 -6.437 -4.481 1.00 0.00 C ATOM 536 CG TYR A 36 -8.043 -7.195 -4.724 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.034 -8.568 -4.936 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.268 -6.538 -4.741 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.206 -9.264 -5.159 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.445 -7.226 -4.962 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.409 -8.589 -5.171 1.00 0.00 C ATOM 542 OH TYR A 36 -11.579 -9.279 -5.391 1.00 0.00 O ATOM 0 H TYR A 36 -6.520 -5.828 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.816 -7.973 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.985 -5.375 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.112 -6.546 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.094 -9.100 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.300 -5.471 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.181 -10.331 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.388 -6.700 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.335 -8.656 -5.367 1.00 0.00 H new ATOM 552 N PRO A 37 -3.653 -6.726 -3.861 1.00 0.00 N ATOM 553 CA PRO A 37 -2.302 -6.157 -3.885 1.00 0.00 C ATOM 554 C PRO A 37 -2.246 -4.828 -4.631 1.00 0.00 C ATOM 555 O PRO A 37 -2.951 -4.631 -5.620 1.00 0.00 O ATOM 556 CB PRO A 37 -1.482 -7.219 -4.621 1.00 0.00 C ATOM 557 CG PRO A 37 -2.471 -7.941 -5.469 1.00 0.00 C ATOM 558 CD PRO A 37 -3.762 -7.934 -4.697 1.00 0.00 C ATOM 0 HA PRO A 37 -1.935 -5.936 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.698 -6.764 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.992 -7.896 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.591 -7.449 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.142 -8.961 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.626 -7.887 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.873 -8.833 -4.091 1.00 0.00 H new ATOM 566 N SER A 38 -1.402 -3.920 -4.151 1.00 0.00 N ATOM 567 CA SER A 38 -1.256 -2.608 -4.771 1.00 0.00 C ATOM 568 C SER A 38 0.114 -2.012 -4.464 1.00 0.00 C ATOM 569 O SER A 38 0.888 -2.573 -3.689 1.00 0.00 O ATOM 570 CB SER A 38 -2.357 -1.665 -4.282 1.00 0.00 C ATOM 571 OG SER A 38 -3.630 -2.086 -4.740 1.00 0.00 O ATOM 0 H SER A 38 -0.809 -4.069 -3.335 1.00 0.00 H new ATOM 0 HA SER A 38 -1.346 -2.731 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.352 -1.630 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.157 -0.653 -4.635 1.00 0.00 H new ATOM 0 HG SER A 38 -3.540 -2.933 -5.224 1.00 0.00 H new ATOM 577 N ARG A 39 0.406 -0.870 -5.079 1.00 0.00 N ATOM 578 CA ARG A 39 1.683 -0.197 -4.873 1.00 0.00 C ATOM 579 C ARG A 39 1.491 1.313 -4.768 1.00 0.00 C ATOM 580 O ARG A 39 0.441 1.842 -5.134 1.00 0.00 O ATOM 581 CB ARG A 39 2.645 -0.521 -6.018 1.00 0.00 C ATOM 582 CG ARG A 39 3.507 -1.746 -5.761 1.00 0.00 C ATOM 583 CD ARG A 39 4.606 -1.882 -6.803 1.00 0.00 C ATOM 584 NE ARG A 39 5.797 -1.116 -6.446 1.00 0.00 N ATOM 585 CZ ARG A 39 6.709 -0.720 -7.327 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.566 -1.017 -8.612 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.765 -0.026 -6.925 1.00 0.00 N ATOM 0 H ARG A 39 -0.224 -0.392 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 39 2.108 -0.558 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.070 -0.677 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.292 0.339 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.952 -1.678 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.883 -2.640 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.871 -2.933 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.233 -1.543 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 39 5.936 -0.871 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.755 -1.550 -8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.267 -0.712 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.878 0.205 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.464 0.277 -7.603 1.00 0.00 H new ATOM 601 N ILE A 40 2.511 2.000 -4.265 1.00 0.00 N ATOM 602 CA ILE A 40 2.454 3.449 -4.113 1.00 0.00 C ATOM 603 C ILE A 40 3.276 4.148 -5.190 1.00 0.00 C ATOM 604 O ILE A 40 4.505 4.151 -5.142 1.00 0.00 O ATOM 605 CB ILE A 40 2.963 3.890 -2.728 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.951 3.510 -1.644 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.227 5.388 -2.712 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.522 3.548 -0.244 1.00 0.00 C ATOM 0 H ILE A 40 3.386 1.577 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 40 1.407 3.736 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 40 3.901 3.374 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.100 4.189 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.573 2.508 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.586 5.684 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.980 5.633 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.304 5.923 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.749 3.268 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.355 2.848 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.874 4.555 -0.022 1.00 0.00 H new ATOM 620 N GLU A 41 2.588 4.741 -6.161 1.00 0.00 N ATOM 621 CA GLU A 41 3.255 5.445 -7.250 1.00 0.00 C ATOM 622 C GLU A 41 3.791 6.794 -6.778 1.00 0.00 C ATOM 623 O GLU A 41 4.930 7.159 -7.071 1.00 0.00 O ATOM 624 CB GLU A 41 2.293 5.647 -8.422 1.00 0.00 C ATOM 625 CG GLU A 41 2.091 4.400 -9.266 1.00 0.00 C ATOM 626 CD GLU A 41 3.191 4.206 -10.292 1.00 0.00 C ATOM 627 OE1 GLU A 41 4.378 4.262 -9.908 1.00 0.00 O ATOM 628 OE2 GLU A 41 2.864 3.999 -11.479 1.00 0.00 O ATOM 0 H GLU A 41 1.569 4.748 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 41 4.096 4.835 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.328 5.975 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.671 6.448 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.049 3.527 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.130 4.463 -9.776 1.00 0.00 H new ATOM 635 N LYS A 42 2.962 7.530 -6.046 1.00 0.00 N ATOM 636 CA LYS A 42 3.350 8.838 -5.533 1.00 0.00 C ATOM 637 C LYS A 42 2.728 9.091 -4.163 1.00 0.00 C ATOM 638 O LYS A 42 1.796 8.397 -3.757 1.00 0.00 O ATOM 639 CB LYS A 42 2.925 9.938 -6.508 1.00 0.00 C ATOM 640 CG LYS A 42 3.845 10.073 -7.710 1.00 0.00 C ATOM 641 CD LYS A 42 3.171 10.824 -8.846 1.00 0.00 C ATOM 642 CE LYS A 42 3.850 10.546 -10.178 1.00 0.00 C ATOM 643 NZ LYS A 42 5.283 10.952 -10.166 1.00 0.00 N ATOM 0 H LYS A 42 2.016 7.242 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 42 4.435 8.852 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.913 9.732 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.892 10.890 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.755 10.596 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.144 9.083 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.122 10.534 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.195 11.894 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.776 9.483 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.328 11.082 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.670 10.890 -11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.364 11.930 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.818 10.320 -9.537 1.00 0.00 H new ATOM 657 N ILE A 43 3.248 10.089 -3.457 1.00 0.00 N ATOM 658 CA ILE A 43 2.741 10.435 -2.135 1.00 0.00 C ATOM 659 C ILE A 43 2.753 11.944 -1.919 1.00 0.00 C ATOM 660 O ILE A 43 3.786 12.596 -2.074 1.00 0.00 O ATOM 661 CB ILE A 43 3.567 9.762 -1.023 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.571 8.243 -1.208 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.014 10.133 0.345 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.509 7.522 -0.266 1.00 0.00 C ATOM 0 H ILE A 43 4.020 10.672 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 43 1.714 10.072 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 43 4.595 10.119 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.559 7.865 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.852 8.011 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.608 9.650 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.059 11.214 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.979 9.801 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.460 6.449 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.528 7.872 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.216 7.724 0.764 1.00 0.00 H new ATOM 676 N ASP A 44 1.598 12.493 -1.559 1.00 0.00 N ATOM 677 CA ASP A 44 1.475 13.927 -1.319 1.00 0.00 C ATOM 678 C ASP A 44 1.440 14.225 0.177 1.00 0.00 C ATOM 679 O ASP A 44 0.424 14.012 0.839 1.00 0.00 O ATOM 680 CB ASP A 44 0.213 14.471 -1.990 1.00 0.00 C ATOM 681 CG ASP A 44 0.343 15.935 -2.366 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.877 16.712 -1.547 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.088 16.301 -3.478 1.00 0.00 O ATOM 0 H ASP A 44 0.734 11.968 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 44 2.347 14.420 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.000 13.886 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.636 14.345 -1.318 1.00 0.00 H new ATOM 688 N TYR A 45 2.556 14.719 0.703 1.00 0.00 N ATOM 689 CA TYR A 45 2.654 15.043 2.121 1.00 0.00 C ATOM 690 C TYR A 45 1.991 16.385 2.420 1.00 0.00 C ATOM 691 O TYR A 45 1.614 16.662 3.558 1.00 0.00 O ATOM 692 CB TYR A 45 4.120 15.078 2.557 1.00 0.00 C ATOM 693 CG TYR A 45 4.732 13.706 2.732 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.039 12.916 1.631 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.004 13.202 3.997 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.597 11.662 1.786 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.564 11.949 4.162 1.00 0.00 C ATOM 698 CZ TYR A 45 5.858 11.183 3.053 1.00 0.00 C ATOM 699 OH TYR A 45 6.416 9.935 3.212 1.00 0.00 O ATOM 0 H TYR A 45 3.405 14.904 0.168 1.00 0.00 H new ATOM 0 HA TYR A 45 2.133 14.267 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.697 15.633 1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.198 15.624 3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.838 13.289 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.774 13.799 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.828 11.060 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.770 11.572 5.153 1.00 0.00 H new ATOM 0 HH TYR A 45 6.536 9.750 4.167 1.00 0.00 H new ATOM 709 N GLU A 46 1.853 17.212 1.388 1.00 0.00 N ATOM 710 CA GLU A 46 1.235 18.524 1.540 1.00 0.00 C ATOM 711 C GLU A 46 -0.285 18.407 1.604 1.00 0.00 C ATOM 712 O GLU A 46 -0.959 19.253 2.189 1.00 0.00 O ATOM 713 CB GLU A 46 1.639 19.439 0.382 1.00 0.00 C ATOM 714 CG GLU A 46 0.911 20.773 0.378 1.00 0.00 C ATOM 715 CD GLU A 46 1.286 21.647 1.559 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.467 22.042 1.653 1.00 0.00 O ATOM 717 OE2 GLU A 46 0.398 21.935 2.388 1.00 0.00 O ATOM 0 H GLU A 46 2.160 16.997 0.439 1.00 0.00 H new ATOM 0 HA GLU A 46 1.587 18.957 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.713 19.621 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.445 18.926 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.137 21.303 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.164 20.596 0.389 1.00 0.00 H new ATOM 724 N GLU A 47 -0.817 17.351 0.996 1.00 0.00 N ATOM 725 CA GLU A 47 -2.257 17.123 0.982 1.00 0.00 C ATOM 726 C GLU A 47 -2.646 16.041 1.985 1.00 0.00 C ATOM 727 O GLU A 47 -3.605 16.196 2.740 1.00 0.00 O ATOM 728 CB GLU A 47 -2.719 16.724 -0.421 1.00 0.00 C ATOM 729 CG GLU A 47 -2.826 17.895 -1.383 1.00 0.00 C ATOM 730 CD GLU A 47 -3.360 19.149 -0.718 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.367 19.049 0.014 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.772 20.230 -0.929 1.00 0.00 O ATOM 0 H GLU A 47 -0.273 16.640 0.507 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.749 18.053 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.022 15.992 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.690 16.234 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.844 18.103 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.479 17.621 -2.212 1.00 0.00 H new ATOM 739 N GLY A 48 -1.895 14.945 1.985 1.00 0.00 N ATOM 740 CA GLY A 48 -2.177 13.852 2.898 1.00 0.00 C ATOM 741 C GLY A 48 -2.722 12.629 2.188 1.00 0.00 C ATOM 742 O GLY A 48 -3.470 11.844 2.772 1.00 0.00 O ATOM 0 H GLY A 48 -1.096 14.794 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.265 13.583 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.896 14.184 3.646 1.00 0.00 H new ATOM 746 N LYS A 49 -2.350 12.466 0.923 1.00 0.00 N ATOM 747 CA LYS A 49 -2.806 11.331 0.131 1.00 0.00 C ATOM 748 C LYS A 49 -1.643 10.683 -0.613 1.00 0.00 C ATOM 749 O LYS A 49 -0.501 11.131 -0.508 1.00 0.00 O ATOM 750 CB LYS A 49 -3.878 11.776 -0.867 1.00 0.00 C ATOM 751 CG LYS A 49 -3.432 12.913 -1.771 1.00 0.00 C ATOM 752 CD LYS A 49 -4.247 12.957 -3.053 1.00 0.00 C ATOM 753 CE LYS A 49 -3.508 13.699 -4.157 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.327 13.807 -5.396 1.00 0.00 N ATOM 0 H LYS A 49 -1.733 13.107 0.424 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.234 10.595 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.165 10.924 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.767 12.086 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.532 13.861 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.376 12.794 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.468 11.941 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.203 13.445 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.242 14.697 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.576 13.181 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.026 14.641 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.197 12.952 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.331 13.903 -5.141 1.00 0.00 H new ATOM 768 N MET A 50 -1.940 9.628 -1.364 1.00 0.00 N ATOM 769 CA MET A 50 -0.918 8.921 -2.127 1.00 0.00 C ATOM 770 C MET A 50 -1.537 8.176 -3.306 1.00 0.00 C ATOM 771 O MET A 50 -2.621 7.603 -3.191 1.00 0.00 O ATOM 772 CB MET A 50 -0.167 7.939 -1.226 1.00 0.00 C ATOM 773 CG MET A 50 -1.017 7.374 -0.100 1.00 0.00 C ATOM 774 SD MET A 50 -0.260 5.941 0.691 1.00 0.00 S ATOM 775 CE MET A 50 -1.546 4.714 0.471 1.00 0.00 C ATOM 0 H MET A 50 -2.880 9.244 -1.461 1.00 0.00 H new ATOM 0 HA MET A 50 -0.215 9.658 -2.515 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.209 7.116 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.700 8.442 -0.798 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.185 8.150 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.994 7.093 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.174 3.737 0.780 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.411 4.981 1.078 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.837 4.676 -0.579 1.00 0.00 H new ATOM 785 N LEU A 51 -0.843 8.188 -4.438 1.00 0.00 N ATOM 786 CA LEU A 51 -1.325 7.514 -5.638 1.00 0.00 C ATOM 787 C LEU A 51 -1.054 6.015 -5.566 1.00 0.00 C ATOM 788 O LEU A 51 0.087 5.572 -5.696 1.00 0.00 O ATOM 789 CB LEU A 51 -0.658 8.105 -6.882 1.00 0.00 C ATOM 790 CG LEU A 51 -1.439 7.972 -8.190 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.553 8.313 -9.378 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.006 6.567 -8.331 1.00 0.00 C ATOM 0 H LEU A 51 0.056 8.657 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.402 7.668 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.470 9.163 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.313 7.626 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.270 8.677 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.126 8.213 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.195 9.338 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.298 7.633 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.559 6.490 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.190 5.844 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.676 6.359 -7.496 1.00 0.00 H new ATOM 804 N VAL A 52 -2.113 5.237 -5.361 1.00 0.00 N ATOM 805 CA VAL A 52 -1.990 3.786 -5.275 1.00 0.00 C ATOM 806 C VAL A 52 -2.558 3.113 -6.519 1.00 0.00 C ATOM 807 O VAL A 52 -3.576 3.543 -7.062 1.00 0.00 O ATOM 808 CB VAL A 52 -2.712 3.235 -4.031 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.194 3.576 -4.078 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.505 1.732 -3.918 1.00 0.00 C ATOM 0 H VAL A 52 -3.065 5.587 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.926 3.561 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.284 3.705 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.687 3.178 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.318 4.659 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.641 3.136 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.022 1.359 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.905 1.242 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.440 1.517 -3.834 1.00 0.00 H new ATOM 820 N HIS A 53 -1.894 2.052 -6.966 1.00 0.00 N ATOM 821 CA HIS A 53 -2.333 1.316 -8.147 1.00 0.00 C ATOM 822 C HIS A 53 -2.638 -0.138 -7.799 1.00 0.00 C ATOM 823 O HIS A 53 -1.948 -0.749 -6.982 1.00 0.00 O ATOM 824 CB HIS A 53 -1.265 1.379 -9.239 1.00 0.00 C ATOM 825 CG HIS A 53 -1.246 0.173 -10.128 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.058 0.041 -11.234 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.506 -0.958 -10.069 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.820 -1.120 -11.817 1.00 0.00 C ATOM 829 NE2 HIS A 53 -0.881 -1.746 -11.130 1.00 0.00 N ATOM 0 H HIS A 53 -1.050 1.682 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.247 1.781 -8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.432 2.267 -9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.286 1.492 -8.773 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.241 -1.197 -9.326 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.310 -1.494 -12.704 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.497 -2.665 -11.351 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.566 4.984 -8.495 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.441 5.892 -7.763 1.00 0.00 C ATOM 1007 C GLU A 63 -5.788 6.342 -6.459 1.00 0.00 C ATOM 1008 O GLU A 63 -5.277 5.524 -5.694 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.782 5.218 -7.469 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.617 5.951 -6.431 1.00 0.00 C ATOM 1011 CD GLU A 63 -10.081 5.557 -6.477 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.378 4.358 -6.289 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.928 6.446 -6.699 1.00 0.00 O ATOM 0 HA GLU A 63 -6.614 6.770 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.352 5.143 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.600 4.200 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.220 5.743 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.528 7.025 -6.591 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.809 7.647 -6.213 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.219 8.206 -5.002 1.00 0.00 C ATOM 1022 C TRP A 64 -6.032 7.819 -3.772 1.00 0.00 C ATOM 1023 O TRP A 64 -7.261 7.898 -3.779 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.128 9.729 -5.111 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.131 10.193 -6.130 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.307 10.246 -7.483 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.805 10.669 -5.877 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.170 10.725 -8.087 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.234 10.993 -7.123 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.045 10.854 -4.719 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.938 11.490 -7.241 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.759 11.347 -4.838 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.217 11.661 -6.091 1.00 0.00 C ATOM 0 H TRP A 64 -6.228 8.338 -6.836 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.215 7.796 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.110 10.127 -5.366 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.860 10.140 -4.138 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.208 9.954 -8.002 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.043 10.859 -9.090 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.455 10.616 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.517 11.732 -8.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.162 11.493 -3.950 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.790 12.046 -6.150 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.339 7.402 -2.717 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.999 7.005 -1.480 1.00 0.00 C ATOM 1046 C ILE A 65 -5.306 7.617 -0.267 1.00 0.00 C ATOM 1047 O ILE A 65 -4.088 7.521 -0.120 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.025 5.473 -1.322 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.814 4.835 -2.467 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.626 5.089 0.022 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.840 3.323 -2.414 1.00 0.00 C ATOM 0 H ILE A 65 -4.322 7.331 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.023 7.374 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.001 5.101 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.838 5.209 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.380 5.150 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.637 4.003 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.026 5.518 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.645 5.470 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.417 2.939 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.821 2.939 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.301 3.000 -1.481 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.091 8.246 0.601 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.554 8.875 1.802 1.00 0.00 C ATOM 1065 C TYR A 66 -4.758 7.873 2.632 1.00 0.00 C ATOM 1066 O TYR A 66 -5.299 6.872 3.103 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.686 9.466 2.643 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.272 10.734 2.064 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.450 11.759 1.611 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.648 10.908 1.972 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.981 12.919 1.082 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.187 12.065 1.443 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.350 13.067 1.000 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.883 14.222 0.473 1.00 0.00 O ATOM 0 H TYR A 66 -7.102 8.334 0.495 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.884 9.677 1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.477 8.723 2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.312 9.673 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.378 11.646 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.307 10.126 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.328 13.706 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.258 12.184 1.377 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.861 14.166 0.486 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.471 8.150 2.807 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.599 7.273 3.581 1.00 0.00 C ATOM 1086 C TRP A 67 -3.079 7.165 5.024 1.00 0.00 C ATOM 1087 O TRP A 67 -2.570 6.354 5.798 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.161 7.792 3.547 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.039 9.234 3.936 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.061 10.100 4.200 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.173 9.978 4.101 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.558 11.338 4.520 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.190 11.289 4.468 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.529 9.664 3.978 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.755 12.282 4.710 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.466 10.651 4.218 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.076 11.947 4.582 1.00 0.00 C ATOM 0 H TRP A 67 -3.008 8.974 2.424 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.631 6.280 3.132 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.549 7.189 4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.758 7.659 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.111 9.849 4.163 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.113 12.160 4.758 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.839 8.668 3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.456 13.282 4.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.517 10.420 4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.832 12.696 4.765 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.061 7.986 5.380 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.611 7.980 6.731 1.00 0.00 C ATOM 1110 C ASP A 68 -6.006 7.363 6.748 1.00 0.00 C ATOM 1111 O ASP A 68 -6.801 7.626 7.650 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.662 9.403 7.289 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.347 9.471 8.640 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.281 8.474 9.390 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -5.948 10.521 8.948 1.00 0.00 O ATOM 0 H ASP A 68 -4.493 8.664 4.752 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.959 7.374 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.648 9.791 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.188 10.048 6.585 1.00 0.00 H new ATOM 1120 N SER A 69 -6.297 6.543 5.743 1.00 0.00 N ATOM 1121 CA SER A 69 -7.598 5.893 5.640 1.00 0.00 C ATOM 1122 C SER A 69 -7.619 4.591 6.436 1.00 0.00 C ATOM 1123 O SER A 69 -8.676 4.132 6.867 1.00 0.00 O ATOM 1124 CB SER A 69 -7.937 5.613 4.174 1.00 0.00 C ATOM 1125 OG SER A 69 -9.338 5.614 3.966 1.00 0.00 O ATOM 0 H SER A 69 -5.650 6.313 4.989 1.00 0.00 H new ATOM 0 HA SER A 69 -8.347 6.566 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.471 6.367 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.523 4.649 3.879 1.00 0.00 H new ATOM 0 HG SER A 69 -9.533 5.912 3.053 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.443 4.002 6.626 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.326 2.752 7.369 1.00 0.00 C ATOM 1133 C ASN A 70 -7.050 1.620 6.648 1.00 0.00 C ATOM 1134 O ASN A 70 -7.497 0.658 7.273 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.894 2.919 8.780 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.789 1.647 9.599 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.795 1.110 10.063 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.568 1.160 9.782 1.00 0.00 N ATOM 0 H ASN A 70 -5.558 4.370 6.276 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.269 2.497 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.362 3.722 9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.939 3.221 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.435 0.307 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.762 1.638 9.379 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.163 1.742 5.329 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.833 0.729 4.523 1.00 0.00 C ATOM 1147 C ARG A 71 -6.819 -0.112 3.753 1.00 0.00 C ATOM 1148 O ARG A 71 -7.158 -0.759 2.761 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.810 1.388 3.547 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.863 2.248 4.228 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.610 3.112 3.224 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.684 3.876 3.853 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.748 4.326 3.196 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.880 4.088 1.898 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.683 5.014 3.838 1.00 0.00 N ATOM 0 H ARG A 71 -6.799 2.532 4.796 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.387 0.074 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.249 2.004 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.307 0.612 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.570 1.609 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.388 2.884 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.911 3.797 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.026 2.479 2.440 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.614 4.075 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.164 3.558 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.698 4.435 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.586 5.198 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.499 5.359 3.333 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.574 -0.098 4.216 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.509 -0.859 3.571 1.00 0.00 C ATOM 1171 C LEU A 72 -3.898 -1.867 4.539 1.00 0.00 C ATOM 1172 O LEU A 72 -3.898 -1.657 5.752 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.426 0.085 3.048 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.914 1.417 2.476 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.873 2.504 2.691 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.241 1.274 0.997 1.00 0.00 C ATOM 0 H LEU A 72 -5.277 0.432 5.035 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.942 -1.405 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.731 0.295 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.862 -0.435 2.274 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.824 1.705 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.238 3.444 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.688 2.625 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.946 2.224 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.587 2.231 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.348 0.962 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.023 0.526 0.868 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.375 -2.961 3.994 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.759 -4.001 4.809 1.00 0.00 C ATOM 1190 C ARG A 73 -1.334 -4.284 4.343 1.00 0.00 C ATOM 1191 O ARG A 73 -0.987 -4.095 3.177 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.591 -5.284 4.750 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.091 -5.040 4.793 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.871 -6.315 4.512 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.250 -7.483 5.131 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.464 -7.848 6.391 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.278 -7.140 7.161 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -4.862 -8.924 6.882 1.00 0.00 N ATOM 0 H ARG A 73 -3.366 -3.150 2.992 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.722 -3.647 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.345 -5.824 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.312 -5.927 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.369 -4.650 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.358 -4.279 4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.890 -6.206 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.939 -6.469 3.435 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.618 -8.049 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.742 -6.312 6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.440 -7.423 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.235 -9.471 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.026 -9.204 7.849 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.488 -4.749 5.274 1.00 0.00 N ATOM 1213 CA PRO A 74 0.913 -5.068 4.982 1.00 0.00 C ATOM 1214 C PRO A 74 1.054 -6.302 4.098 1.00 0.00 C ATOM 1215 O PRO A 74 1.121 -7.428 4.592 1.00 0.00 O ATOM 1216 CB PRO A 74 1.512 -5.330 6.366 1.00 0.00 C ATOM 1217 CG PRO A 74 0.357 -5.754 7.205 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.834 -4.999 6.683 1.00 0.00 C ATOM 0 HA PRO A 74 1.408 -4.267 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.277 -6.105 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.986 -4.435 6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.198 -6.830 7.135 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.534 -5.526 8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.751 -5.581 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.991 -4.069 7.229 1.00 0.00 H new ATOM 1226 N LEU A 75 1.099 -6.084 2.788 1.00 0.00 N ATOM 1227 CA LEU A 75 1.233 -7.179 1.834 1.00 0.00 C ATOM 1228 C LEU A 75 2.495 -7.990 2.110 1.00 0.00 C ATOM 1229 O LEU A 75 3.569 -7.430 2.324 1.00 0.00 O ATOM 1230 CB LEU A 75 1.264 -6.635 0.405 1.00 0.00 C ATOM 1231 CG LEU A 75 1.400 -7.677 -0.707 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.038 -8.248 -1.071 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.069 -7.067 -1.930 1.00 0.00 C ATOM 0 H LEU A 75 1.045 -5.159 2.362 1.00 0.00 H new ATOM 0 HA LEU A 75 0.370 -7.835 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.349 -6.067 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.095 -5.934 0.322 1.00 0.00 H new ATOM 0 HG LEU A 75 2.027 -8.491 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.153 -8.987 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.404 -8.722 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.613 -7.445 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.158 -7.822 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.468 -6.235 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.061 -6.706 -1.660 1.00 0.00 H new