USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 289 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+ -138:sc= -0.483 (180deg=-1.67!) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0563) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -1.21 (180deg=-3.08!) USER MOD Single : A 32 GLN : amide:sc= -0.979 K(o=-0.98,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.819 X(o=-0.82,f=-0.55) USER MOD Single : A 34 ASN : amide:sc=-0.000925 K(o=-0.00093,f=-0.94) USER MOD Single : A 40 SER OG : rot 63:sc= 0.0157 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 7 7.507 8.100 -0.336 1.00 0.00 N ATOM 59 CA VAL A 7 6.584 7.077 0.131 1.00 0.00 C ATOM 60 C VAL A 7 5.198 7.271 -0.473 1.00 0.00 C ATOM 61 O VAL A 7 4.510 6.302 -0.795 1.00 0.00 O ATOM 62 CB VAL A 7 6.471 7.076 1.668 1.00 0.00 C ATOM 63 CG1 VAL A 7 7.788 6.651 2.297 1.00 0.00 C ATOM 64 CG2 VAL A 7 6.049 8.446 2.179 1.00 0.00 C ATOM 0 HA VAL A 7 6.987 6.117 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 7 5.704 6.357 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.691 6.656 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.045 5.647 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.574 7.345 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.976 8.422 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.789 9.189 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.080 8.710 1.756 1.00 0.00 H new ATOM 74 N ASP A 8 4.798 8.530 -0.630 1.00 0.00 N ATOM 75 CA ASP A 8 3.494 8.861 -1.196 1.00 0.00 C ATOM 76 C ASP A 8 3.292 8.181 -2.544 1.00 0.00 C ATOM 77 O ASP A 8 2.188 7.748 -2.871 1.00 0.00 O ATOM 78 CB ASP A 8 3.359 10.374 -1.360 1.00 0.00 C ATOM 79 CG ASP A 8 1.977 10.785 -1.828 1.00 0.00 C ATOM 80 OD1 ASP A 8 1.082 10.941 -0.970 1.00 0.00 O ATOM 81 OD2 ASP A 8 1.789 10.950 -3.051 1.00 0.00 O ATOM 0 H ASP A 8 5.361 9.340 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 8 2.729 8.500 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.577 10.860 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.102 10.727 -2.076 1.00 0.00 H new ATOM 86 N ALA A 9 4.364 8.097 -3.323 1.00 0.00 N ATOM 87 CA ALA A 9 4.306 7.470 -4.637 1.00 0.00 C ATOM 88 C ALA A 9 3.830 6.029 -4.531 1.00 0.00 C ATOM 89 O ALA A 9 2.953 5.603 -5.282 1.00 0.00 O ATOM 90 CB ALA A 9 5.667 7.533 -5.309 1.00 0.00 C ATOM 0 H ALA A 9 5.284 8.455 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 9 3.588 8.018 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.611 7.061 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.968 8.574 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.400 7.009 -4.696 1.00 0.00 H new ATOM 96 N LYS A 10 4.414 5.281 -3.602 1.00 0.00 N ATOM 97 CA LYS A 10 4.032 3.890 -3.404 1.00 0.00 C ATOM 98 C LYS A 10 2.607 3.799 -2.878 1.00 0.00 C ATOM 99 O LYS A 10 1.855 2.895 -3.246 1.00 0.00 O ATOM 100 CB LYS A 10 4.998 3.205 -2.439 1.00 0.00 C ATOM 101 CG LYS A 10 6.462 3.333 -2.840 1.00 0.00 C ATOM 102 CD LYS A 10 6.684 3.049 -4.322 1.00 0.00 C ATOM 103 CE LYS A 10 6.196 1.665 -4.719 1.00 0.00 C ATOM 104 NZ LYS A 10 6.658 1.283 -6.082 1.00 0.00 N ATOM 0 H LYS A 10 5.149 5.613 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 10 4.080 3.379 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.865 3.630 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.741 2.148 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.813 4.339 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.061 2.642 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.164 3.800 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.746 3.139 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.554 0.932 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.107 1.640 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.881 0.819 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.955 2.135 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.462 0.627 -6.005 1.00 0.00 H new ATOM 118 N ILE A 11 2.236 4.737 -2.014 1.00 0.00 N ATOM 119 CA ILE A 11 0.892 4.759 -1.464 1.00 0.00 C ATOM 120 C ILE A 11 -0.123 4.866 -2.590 1.00 0.00 C ATOM 121 O ILE A 11 -1.010 4.024 -2.724 1.00 0.00 O ATOM 122 CB ILE A 11 0.690 5.922 -0.483 1.00 0.00 C ATOM 123 CG1 ILE A 11 1.709 5.830 0.657 1.00 0.00 C ATOM 124 CG2 ILE A 11 -0.734 5.897 0.052 1.00 0.00 C ATOM 125 CD1 ILE A 11 1.567 6.918 1.702 1.00 0.00 C ATOM 0 H ILE A 11 2.844 5.486 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 11 0.748 3.829 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 11 0.848 6.868 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.609 4.859 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.714 5.874 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.876 6.723 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.436 5.996 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.912 4.953 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.324 6.782 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.698 7.893 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.576 6.863 2.152 1.00 0.00 H new ATOM 137 N ALA A 12 0.008 5.919 -3.393 1.00 0.00 N ATOM 138 CA ALA A 12 -0.876 6.115 -4.531 1.00 0.00 C ATOM 139 C ALA A 12 -0.770 4.911 -5.454 1.00 0.00 C ATOM 140 O ALA A 12 -1.758 4.473 -6.049 1.00 0.00 O ATOM 141 CB ALA A 12 -0.519 7.396 -5.271 1.00 0.00 C ATOM 0 H ALA A 12 0.715 6.645 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.904 6.210 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.191 7.526 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.619 8.246 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.509 7.335 -5.629 1.00 0.00 H new ATOM 147 N LYS A 13 0.448 4.381 -5.563 1.00 0.00 N ATOM 148 CA LYS A 13 0.703 3.206 -6.383 1.00 0.00 C ATOM 149 C LYS A 13 -0.210 2.070 -5.938 1.00 0.00 C ATOM 150 O LYS A 13 -0.575 1.202 -6.732 1.00 0.00 O ATOM 151 CB LYS A 13 2.178 2.796 -6.278 1.00 0.00 C ATOM 152 CG LYS A 13 2.532 1.525 -7.040 1.00 0.00 C ATOM 153 CD LYS A 13 2.136 1.611 -8.504 1.00 0.00 C ATOM 154 CE LYS A 13 2.314 0.277 -9.195 1.00 0.00 C ATOM 155 NZ LYS A 13 3.739 -0.154 -9.217 1.00 0.00 N ATOM 0 H LYS A 13 1.273 4.751 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 13 0.492 3.438 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.797 3.613 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.430 2.657 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.604 1.344 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.031 0.674 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.097 1.930 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.742 2.367 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.715 -0.478 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.940 0.345 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.831 -1.020 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.323 0.599 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.060 -0.343 -8.246 1.00 0.00 H new ATOM 169 N LEU A 14 -0.575 2.084 -4.656 1.00 0.00 N ATOM 170 CA LEU A 14 -1.473 1.078 -4.104 1.00 0.00 C ATOM 171 C LEU A 14 -2.919 1.539 -4.248 1.00 0.00 C ATOM 172 O LEU A 14 -3.836 0.727 -4.367 1.00 0.00 O ATOM 173 CB LEU A 14 -1.157 0.814 -2.631 1.00 0.00 C ATOM 174 CG LEU A 14 -0.232 -0.376 -2.366 1.00 0.00 C ATOM 175 CD1 LEU A 14 1.215 -0.007 -2.644 1.00 0.00 C ATOM 176 CD2 LEU A 14 -0.397 -0.870 -0.937 1.00 0.00 C ATOM 0 H LEU A 14 -0.261 2.783 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.331 0.150 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.701 1.709 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.094 0.651 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.510 -1.184 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.854 -0.868 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.320 0.294 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.511 0.818 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.268 -1.716 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.148 -0.067 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.429 -1.181 -0.777 1.00 0.00 H new ATOM 188 N MET A 15 -3.107 2.858 -4.233 1.00 0.00 N ATOM 189 CA MET A 15 -4.433 3.451 -4.368 1.00 0.00 C ATOM 190 C MET A 15 -5.031 3.103 -5.723 1.00 0.00 C ATOM 191 O MET A 15 -6.248 3.139 -5.903 1.00 0.00 O ATOM 192 CB MET A 15 -4.352 4.971 -4.205 1.00 0.00 C ATOM 193 CG MET A 15 -5.442 5.549 -3.318 1.00 0.00 C ATOM 194 SD MET A 15 -7.100 5.235 -3.950 1.00 0.00 S ATOM 195 CE MET A 15 -8.097 6.000 -2.674 1.00 0.00 C ATOM 0 H MET A 15 -2.353 3.537 -4.128 1.00 0.00 H new ATOM 0 HA MET A 15 -5.076 3.047 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.380 5.231 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.411 5.437 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.353 5.124 -2.318 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.293 6.624 -3.222 1.00 0.00 H new ATOM 0 HE1 MET A 15 -9.153 5.889 -2.922 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.896 5.518 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.850 7.059 -2.605 1.00 0.00 H new ATOM 205 N GLY A 16 -4.159 2.778 -6.677 1.00 0.00 N ATOM 206 CA GLY A 16 -4.613 2.408 -8.005 1.00 0.00 C ATOM 207 C GLY A 16 -5.745 1.405 -7.957 1.00 0.00 C ATOM 208 O GLY A 16 -6.817 1.635 -8.519 1.00 0.00 O ATOM 0 H GLY A 16 -3.147 2.765 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.941 3.300 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.780 1.988 -8.569 1.00 0.00 H new ATOM 212 N GLU A 17 -5.500 0.287 -7.285 1.00 0.00 N ATOM 213 CA GLU A 17 -6.504 -0.759 -7.140 1.00 0.00 C ATOM 214 C GLU A 17 -7.772 -0.198 -6.505 1.00 0.00 C ATOM 215 O GLU A 17 -8.882 -0.631 -6.816 1.00 0.00 O ATOM 216 CB GLU A 17 -5.956 -1.909 -6.294 1.00 0.00 C ATOM 217 CG GLU A 17 -4.991 -2.801 -7.053 1.00 0.00 C ATOM 218 CD GLU A 17 -4.166 -3.683 -6.136 1.00 0.00 C ATOM 219 OE1 GLU A 17 -4.637 -4.788 -5.795 1.00 0.00 O ATOM 220 OE2 GLU A 17 -3.050 -3.269 -5.759 1.00 0.00 O ATOM 0 H GLU A 17 -4.611 0.081 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.750 -1.139 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.451 -1.500 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.788 -2.512 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.551 -3.428 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.324 -2.181 -7.652 1.00 0.00 H new ATOM 227 N GLY A 18 -7.591 0.771 -5.611 1.00 0.00 N ATOM 228 CA GLY A 18 -8.718 1.394 -4.942 1.00 0.00 C ATOM 229 C GLY A 18 -9.204 0.602 -3.743 1.00 0.00 C ATOM 230 O GLY A 18 -10.082 -0.251 -3.868 1.00 0.00 O ATOM 0 H GLY A 18 -6.679 1.136 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.434 2.395 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.537 1.509 -5.652 1.00 0.00 H new ATOM 234 N TYR A 19 -8.633 0.893 -2.580 1.00 0.00 N ATOM 235 CA TYR A 19 -9.007 0.213 -1.345 1.00 0.00 C ATOM 236 C TYR A 19 -8.828 1.137 -0.146 1.00 0.00 C ATOM 237 O TYR A 19 -8.499 2.313 -0.306 1.00 0.00 O ATOM 238 CB TYR A 19 -8.162 -1.050 -1.158 1.00 0.00 C ATOM 239 CG TYR A 19 -8.925 -2.337 -1.379 1.00 0.00 C ATOM 240 CD1 TYR A 19 -9.076 -2.869 -2.654 1.00 0.00 C ATOM 241 CD2 TYR A 19 -9.491 -3.022 -0.311 1.00 0.00 C ATOM 242 CE1 TYR A 19 -9.770 -4.046 -2.858 1.00 0.00 C ATOM 243 CE2 TYR A 19 -10.187 -4.200 -0.507 1.00 0.00 C ATOM 244 CZ TYR A 19 -10.323 -4.707 -1.782 1.00 0.00 C ATOM 245 OH TYR A 19 -11.013 -5.881 -1.980 1.00 0.00 O ATOM 0 H TYR A 19 -7.906 1.599 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.058 -0.068 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.319 -1.016 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.749 -1.053 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.644 -2.354 -3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.385 -2.628 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.879 -4.446 -3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.622 -4.720 0.334 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.337 -6.219 -1.119 1.00 0.00 H new ATOM 255 N ALA A 20 -9.047 0.605 1.053 1.00 0.00 N ATOM 256 CA ALA A 20 -8.898 1.391 2.272 1.00 0.00 C ATOM 257 C ALA A 20 -7.500 1.989 2.354 1.00 0.00 C ATOM 258 O ALA A 20 -6.510 1.302 2.110 1.00 0.00 O ATOM 259 CB ALA A 20 -9.173 0.531 3.496 1.00 0.00 C ATOM 0 H ALA A 20 -9.327 -0.364 1.206 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.623 2.204 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.057 1.133 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.190 0.143 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.469 -0.300 3.522 1.00 0.00 H new ATOM 265 N PHE A 21 -7.422 3.268 2.705 1.00 0.00 N ATOM 266 CA PHE A 21 -6.137 3.946 2.808 1.00 0.00 C ATOM 267 C PHE A 21 -5.367 3.410 4.004 1.00 0.00 C ATOM 268 O PHE A 21 -4.135 3.379 4.007 1.00 0.00 O ATOM 269 CB PHE A 21 -6.335 5.459 2.933 1.00 0.00 C ATOM 270 CG PHE A 21 -7.119 5.874 4.146 1.00 0.00 C ATOM 271 CD1 PHE A 21 -8.504 5.863 4.130 1.00 0.00 C ATOM 272 CD2 PHE A 21 -6.469 6.282 5.301 1.00 0.00 C ATOM 273 CE1 PHE A 21 -9.228 6.249 5.242 1.00 0.00 C ATOM 274 CE2 PHE A 21 -7.187 6.668 6.416 1.00 0.00 C ATOM 275 CZ PHE A 21 -8.568 6.652 6.387 1.00 0.00 C ATOM 0 H PHE A 21 -8.229 3.853 2.922 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.563 3.753 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.358 5.942 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.845 5.823 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.025 5.549 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.389 6.298 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.308 6.236 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.669 6.982 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.131 6.954 7.258 1.00 0.00 H new ATOM 285 N GLU A 22 -6.110 2.978 5.015 1.00 0.00 N ATOM 286 CA GLU A 22 -5.510 2.428 6.223 1.00 0.00 C ATOM 287 C GLU A 22 -4.772 1.132 5.909 1.00 0.00 C ATOM 288 O GLU A 22 -3.647 0.918 6.365 1.00 0.00 O ATOM 289 CB GLU A 22 -6.584 2.176 7.285 1.00 0.00 C ATOM 290 CG GLU A 22 -7.292 3.438 7.748 1.00 0.00 C ATOM 291 CD GLU A 22 -8.357 3.161 8.792 1.00 0.00 C ATOM 292 OE1 GLU A 22 -8.008 3.081 9.989 1.00 0.00 O ATOM 293 OE2 GLU A 22 -9.539 3.026 8.412 1.00 0.00 O ATOM 0 H GLU A 22 -7.130 2.998 5.022 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.795 3.153 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.323 1.482 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.124 1.691 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.558 4.132 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.750 3.929 6.889 1.00 0.00 H new ATOM 300 N GLU A 23 -5.412 0.271 5.119 1.00 0.00 N ATOM 301 CA GLU A 23 -4.819 -1.006 4.739 1.00 0.00 C ATOM 302 C GLU A 23 -3.582 -0.800 3.870 1.00 0.00 C ATOM 303 O GLU A 23 -2.658 -1.614 3.881 1.00 0.00 O ATOM 304 CB GLU A 23 -5.842 -1.864 3.997 1.00 0.00 C ATOM 305 CG GLU A 23 -6.936 -2.400 4.900 1.00 0.00 C ATOM 306 CD GLU A 23 -7.804 -3.438 4.216 1.00 0.00 C ATOM 307 OE1 GLU A 23 -7.413 -4.624 4.205 1.00 0.00 O ATOM 308 OE2 GLU A 23 -8.873 -3.065 3.690 1.00 0.00 O ATOM 0 H GLU A 23 -6.341 0.436 4.731 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.515 -1.521 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.294 -1.273 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.329 -2.700 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.484 -2.839 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.562 -1.573 5.236 1.00 0.00 H new ATOM 315 N VAL A 24 -3.571 0.297 3.122 1.00 0.00 N ATOM 316 CA VAL A 24 -2.453 0.615 2.240 1.00 0.00 C ATOM 317 C VAL A 24 -1.186 0.931 3.028 1.00 0.00 C ATOM 318 O VAL A 24 -0.192 0.214 2.929 1.00 0.00 O ATOM 319 CB VAL A 24 -2.787 1.811 1.328 1.00 0.00 C ATOM 320 CG1 VAL A 24 -1.572 2.227 0.513 1.00 0.00 C ATOM 321 CG2 VAL A 24 -3.953 1.473 0.411 1.00 0.00 C ATOM 0 H VAL A 24 -4.325 0.983 3.108 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.277 -0.270 1.628 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.076 2.650 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.833 3.073 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.764 2.514 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.248 1.392 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.175 2.329 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.691 0.617 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.830 1.231 1.012 1.00 0.00 H new ATOM 331 N LYS A 25 -1.229 2.009 3.809 1.00 0.00 N ATOM 332 CA LYS A 25 -0.071 2.422 4.600 1.00 0.00 C ATOM 333 C LYS A 25 0.428 1.292 5.496 1.00 0.00 C ATOM 334 O LYS A 25 1.631 1.050 5.576 1.00 0.00 O ATOM 335 CB LYS A 25 -0.400 3.651 5.452 1.00 0.00 C ATOM 336 CG LYS A 25 -0.443 4.954 4.671 1.00 0.00 C ATOM 337 CD LYS A 25 -1.710 5.076 3.840 1.00 0.00 C ATOM 338 CE LYS A 25 -1.863 6.472 3.259 1.00 0.00 C ATOM 339 NZ LYS A 25 -3.128 6.619 2.486 1.00 0.00 N ATOM 0 H LYS A 25 -2.048 2.609 3.911 1.00 0.00 H new ATOM 0 HA LYS A 25 0.722 2.679 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.365 3.497 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.343 3.739 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.380 5.794 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.427 5.014 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.688 4.345 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.576 4.841 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.844 7.205 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.014 6.690 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.938 7.138 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.507 5.678 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.823 7.144 3.054 1.00 0.00 H new ATOM 353 N ARG A 26 -0.489 0.607 6.174 1.00 0.00 N ATOM 354 CA ARG A 26 -0.102 -0.490 7.057 1.00 0.00 C ATOM 355 C ARG A 26 0.602 -1.590 6.270 1.00 0.00 C ATOM 356 O ARG A 26 1.539 -2.216 6.763 1.00 0.00 O ATOM 357 CB ARG A 26 -1.317 -1.064 7.793 1.00 0.00 C ATOM 358 CG ARG A 26 -2.265 -1.850 6.902 1.00 0.00 C ATOM 359 CD ARG A 26 -3.191 -2.728 7.721 1.00 0.00 C ATOM 360 NE ARG A 26 -4.122 -3.480 6.884 1.00 0.00 N ATOM 361 CZ ARG A 26 -4.556 -4.701 7.179 1.00 0.00 C ATOM 362 NH1 ARG A 26 -4.126 -5.313 8.274 1.00 0.00 N ATOM 363 NH2 ARG A 26 -5.417 -5.313 6.377 1.00 0.00 N ATOM 0 H ARG A 26 -1.492 0.788 6.131 1.00 0.00 H new ATOM 0 HA ARG A 26 0.589 -0.090 7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.969 -1.712 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.867 -0.246 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.854 -1.161 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.690 -2.468 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.598 -3.422 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.753 -2.108 8.420 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.458 -3.044 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.461 -4.847 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.460 -6.250 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.747 -4.847 5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.749 -6.250 6.605 1.00 0.00 H new ATOM 377 N ALA A 27 0.146 -1.821 5.041 1.00 0.00 N ATOM 378 CA ALA A 27 0.742 -2.844 4.189 1.00 0.00 C ATOM 379 C ALA A 27 2.129 -2.417 3.721 1.00 0.00 C ATOM 380 O ALA A 27 3.012 -3.252 3.517 1.00 0.00 O ATOM 381 CB ALA A 27 -0.155 -3.131 2.994 1.00 0.00 C ATOM 0 H ALA A 27 -0.631 -1.315 4.615 1.00 0.00 H new ATOM 0 HA ALA A 27 0.844 -3.758 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.305 -3.896 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.125 -3.483 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.288 -2.219 2.412 1.00 0.00 H new ATOM 387 N LEU A 28 2.311 -1.111 3.559 1.00 0.00 N ATOM 388 CA LEU A 28 3.587 -0.561 3.118 1.00 0.00 C ATOM 389 C LEU A 28 4.554 -0.414 4.287 1.00 0.00 C ATOM 390 O LEU A 28 5.770 -0.424 4.102 1.00 0.00 O ATOM 391 CB LEU A 28 3.376 0.804 2.461 1.00 0.00 C ATOM 392 CG LEU A 28 2.722 0.772 1.081 1.00 0.00 C ATOM 393 CD1 LEU A 28 2.203 2.153 0.726 1.00 0.00 C ATOM 394 CD2 LEU A 28 3.713 0.292 0.030 1.00 0.00 C ATOM 0 H LEU A 28 1.588 -0.412 3.727 1.00 0.00 H new ATOM 0 HA LEU A 28 4.016 -1.253 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.761 1.415 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.343 1.300 2.375 1.00 0.00 H new ATOM 0 HG LEU A 28 1.886 0.073 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.738 2.125 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.467 2.466 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.031 2.861 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.229 0.276 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.568 0.968 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.053 -0.712 0.283 1.00 0.00 H new ATOM 406 N GLU A 29 4.006 -0.284 5.490 1.00 0.00 N ATOM 407 CA GLU A 29 4.821 -0.118 6.686 1.00 0.00 C ATOM 408 C GLU A 29 5.396 -1.452 7.156 1.00 0.00 C ATOM 409 O GLU A 29 6.611 -1.603 7.281 1.00 0.00 O ATOM 410 CB GLU A 29 3.995 0.519 7.807 1.00 0.00 C ATOM 411 CG GLU A 29 4.786 0.769 9.082 1.00 0.00 C ATOM 412 CD GLU A 29 5.950 1.717 8.869 1.00 0.00 C ATOM 413 OE1 GLU A 29 7.042 1.241 8.492 1.00 0.00 O ATOM 414 OE2 GLU A 29 5.771 2.935 9.078 1.00 0.00 O ATOM 0 H GLU A 29 3.001 -0.290 5.662 1.00 0.00 H new ATOM 0 HA GLU A 29 5.653 0.540 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.586 1.465 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.149 -0.129 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.122 1.180 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.161 -0.180 9.465 1.00 0.00 H new ATOM 421 N ILE A 30 4.512 -2.413 7.419 1.00 0.00 N ATOM 422 CA ILE A 30 4.923 -3.736 7.881 1.00 0.00 C ATOM 423 C ILE A 30 6.003 -4.332 6.984 1.00 0.00 C ATOM 424 O ILE A 30 7.040 -4.789 7.465 1.00 0.00 O ATOM 425 CB ILE A 30 3.726 -4.704 7.943 1.00 0.00 C ATOM 426 CG1 ILE A 30 2.669 -4.167 8.911 1.00 0.00 C ATOM 427 CG2 ILE A 30 4.188 -6.093 8.365 1.00 0.00 C ATOM 428 CD1 ILE A 30 1.406 -5.000 8.959 1.00 0.00 C ATOM 0 H ILE A 30 3.503 -2.299 7.319 1.00 0.00 H new ATOM 0 HA ILE A 30 5.329 -3.605 8.884 1.00 0.00 H new ATOM 0 HB ILE A 30 3.281 -4.781 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.098 -4.117 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.410 -3.148 8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.331 -6.765 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.912 -6.470 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.652 -6.039 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.705 -4.557 9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.952 -5.030 7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.650 -6.014 9.277 1.00 0.00 H new ATOM 440 N ALA A 31 5.755 -4.328 5.679 1.00 0.00 N ATOM 441 CA ALA A 31 6.710 -4.871 4.722 1.00 0.00 C ATOM 442 C ALA A 31 7.789 -3.847 4.376 1.00 0.00 C ATOM 443 O ALA A 31 8.223 -3.757 3.229 1.00 0.00 O ATOM 444 CB ALA A 31 5.991 -5.332 3.463 1.00 0.00 C ATOM 0 H ALA A 31 4.902 -3.955 5.261 1.00 0.00 H new ATOM 0 HA ALA A 31 7.199 -5.729 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.717 -5.735 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.266 -6.105 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.474 -4.487 3.009 1.00 0.00 H new ATOM 450 N GLN A 32 8.218 -3.084 5.381 1.00 0.00 N ATOM 451 CA GLN A 32 9.247 -2.061 5.196 1.00 0.00 C ATOM 452 C GLN A 32 8.799 -1.005 4.189 1.00 0.00 C ATOM 453 O GLN A 32 8.294 0.051 4.571 1.00 0.00 O ATOM 454 CB GLN A 32 10.565 -2.697 4.745 1.00 0.00 C ATOM 455 CG GLN A 32 11.105 -3.731 5.720 1.00 0.00 C ATOM 456 CD GLN A 32 12.445 -4.299 5.292 1.00 0.00 C ATOM 457 OE1 GLN A 32 13.267 -4.673 6.128 1.00 0.00 O ATOM 458 NE2 GLN A 32 12.671 -4.371 3.986 1.00 0.00 N ATOM 0 H GLN A 32 7.867 -3.156 6.336 1.00 0.00 H new ATOM 0 HA GLN A 32 9.405 -1.570 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.418 -3.168 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.310 -1.913 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.206 -3.276 6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.385 -4.544 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.962 -4.050 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.554 -4.748 3.641 1.00 0.00 H new ATOM 467 N ASN A 33 8.994 -1.291 2.905 1.00 0.00 N ATOM 468 CA ASN A 33 8.601 -0.364 1.848 1.00 0.00 C ATOM 469 C ASN A 33 8.184 -1.111 0.583 1.00 0.00 C ATOM 470 O ASN A 33 7.720 -0.502 -0.380 1.00 0.00 O ATOM 471 CB ASN A 33 9.747 0.599 1.529 1.00 0.00 C ATOM 472 CG ASN A 33 10.100 1.488 2.705 1.00 0.00 C ATOM 473 OD1 ASN A 33 9.552 2.578 2.861 1.00 0.00 O ATOM 474 ND2 ASN A 33 11.023 1.025 3.541 1.00 0.00 N ATOM 0 H ASN A 33 9.421 -2.155 2.572 1.00 0.00 H new ATOM 0 HA ASN A 33 7.744 0.205 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.626 0.027 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.469 1.221 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.302 1.580 4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.452 0.115 3.374 1.00 0.00 H new ATOM 481 N ASN A 34 8.353 -2.431 0.592 1.00 0.00 N ATOM 482 CA ASN A 34 7.989 -3.254 -0.555 1.00 0.00 C ATOM 483 C ASN A 34 6.494 -3.155 -0.841 1.00 0.00 C ATOM 484 O ASN A 34 5.666 -3.361 0.046 1.00 0.00 O ATOM 485 CB ASN A 34 8.383 -4.709 -0.312 1.00 0.00 C ATOM 486 CG ASN A 34 9.886 -4.895 -0.221 1.00 0.00 C ATOM 487 OD1 ASN A 34 10.652 -4.154 -0.835 1.00 0.00 O ATOM 488 ND2 ASN A 34 10.313 -5.891 0.547 1.00 0.00 N ATOM 0 H ASN A 34 8.739 -2.951 1.380 1.00 0.00 H new ATOM 0 HA ASN A 34 8.531 -2.883 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.920 -5.058 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.991 -5.328 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.313 -6.066 0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.641 -6.481 1.038 1.00 0.00 H new ATOM 495 N VAL A 35 6.160 -2.839 -2.088 1.00 0.00 N ATOM 496 CA VAL A 35 4.767 -2.703 -2.500 1.00 0.00 C ATOM 497 C VAL A 35 4.190 -4.042 -2.953 1.00 0.00 C ATOM 498 O VAL A 35 2.997 -4.292 -2.794 1.00 0.00 O ATOM 499 CB VAL A 35 4.609 -1.654 -3.628 1.00 0.00 C ATOM 500 CG1 VAL A 35 5.856 -1.605 -4.491 1.00 0.00 C ATOM 501 CG2 VAL A 35 3.378 -1.931 -4.481 1.00 0.00 C ATOM 0 H VAL A 35 6.837 -2.672 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 35 4.210 -2.359 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 35 4.473 -0.681 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.725 -0.862 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.714 -1.335 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.026 -2.583 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.299 -1.175 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.466 -2.917 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.487 -1.900 -3.854 1.00 0.00 H new ATOM 511 N GLU A 36 5.038 -4.899 -3.515 1.00 0.00 N ATOM 512 CA GLU A 36 4.597 -6.209 -3.982 1.00 0.00 C ATOM 513 C GLU A 36 3.902 -6.972 -2.860 1.00 0.00 C ATOM 514 O GLU A 36 2.777 -7.445 -3.023 1.00 0.00 O ATOM 515 CB GLU A 36 5.783 -7.010 -4.512 1.00 0.00 C ATOM 516 CG GLU A 36 6.511 -6.330 -5.659 1.00 0.00 C ATOM 517 CD GLU A 36 7.709 -7.122 -6.141 1.00 0.00 C ATOM 518 OE1 GLU A 36 7.531 -7.999 -7.012 1.00 0.00 O ATOM 519 OE2 GLU A 36 8.828 -6.863 -5.648 1.00 0.00 O ATOM 0 H GLU A 36 6.030 -4.711 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 36 3.884 -6.063 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.487 -7.184 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.432 -7.987 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.819 -6.185 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.839 -5.340 -5.340 1.00 0.00 H new ATOM 526 N VAL A 37 4.578 -7.089 -1.721 1.00 0.00 N ATOM 527 CA VAL A 37 4.012 -7.779 -0.570 1.00 0.00 C ATOM 528 C VAL A 37 2.776 -7.039 -0.075 1.00 0.00 C ATOM 529 O VAL A 37 1.760 -7.650 0.268 1.00 0.00 O ATOM 530 CB VAL A 37 5.033 -7.893 0.579 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.435 -8.638 1.762 1.00 0.00 C ATOM 532 CG2 VAL A 37 6.304 -8.577 0.099 1.00 0.00 C ATOM 0 H VAL A 37 5.515 -6.716 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 37 3.740 -8.785 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 37 5.289 -6.886 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.174 -8.706 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.558 -8.102 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.144 -9.641 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.013 -8.648 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.065 -9.578 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.747 -7.996 -0.710 1.00 0.00 H new ATOM 542 N ALA A 38 2.872 -5.712 -0.049 1.00 0.00 N ATOM 543 CA ALA A 38 1.770 -4.874 0.389 1.00 0.00 C ATOM 544 C ALA A 38 0.566 -5.072 -0.520 1.00 0.00 C ATOM 545 O ALA A 38 -0.578 -4.925 -0.093 1.00 0.00 O ATOM 546 CB ALA A 38 2.196 -3.416 0.398 1.00 0.00 C ATOM 0 H ALA A 38 3.707 -5.197 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 38 1.489 -5.161 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.363 -2.796 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.037 -3.287 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.495 -3.118 -0.607 1.00 0.00 H new ATOM 552 N ARG A 39 0.839 -5.415 -1.776 1.00 0.00 N ATOM 553 CA ARG A 39 -0.211 -5.647 -2.758 1.00 0.00 C ATOM 554 C ARG A 39 -0.908 -6.972 -2.483 1.00 0.00 C ATOM 555 O ARG A 39 -2.128 -7.083 -2.610 1.00 0.00 O ATOM 556 CB ARG A 39 0.370 -5.642 -4.174 1.00 0.00 C ATOM 557 CG ARG A 39 0.578 -4.249 -4.745 1.00 0.00 C ATOM 558 CD ARG A 39 1.255 -4.309 -6.100 1.00 0.00 C ATOM 559 NE ARG A 39 0.451 -5.028 -7.084 1.00 0.00 N ATOM 560 CZ ARG A 39 0.968 -5.739 -8.081 1.00 0.00 C ATOM 561 NH1 ARG A 39 2.284 -5.828 -8.224 1.00 0.00 N ATOM 562 NH2 ARG A 39 0.171 -6.363 -8.936 1.00 0.00 N ATOM 0 H ARG A 39 1.785 -5.538 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.942 -4.842 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.324 -6.168 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.297 -6.199 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.383 -3.744 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.184 -3.658 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.443 -3.296 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.225 -4.796 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.565 -4.982 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.902 -5.350 -7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.678 -6.374 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.841 -6.298 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.570 -6.908 -9.700 1.00 0.00 H new ATOM 576 N SER A 40 -0.122 -7.976 -2.108 1.00 0.00 N ATOM 577 CA SER A 40 -0.664 -9.293 -1.802 1.00 0.00 C ATOM 578 C SER A 40 -1.654 -9.195 -0.648 1.00 0.00 C ATOM 579 O SER A 40 -2.674 -9.884 -0.631 1.00 0.00 O ATOM 580 CB SER A 40 0.462 -10.266 -1.448 1.00 0.00 C ATOM 581 OG SER A 40 1.373 -10.408 -2.525 1.00 0.00 O ATOM 0 H SER A 40 0.891 -7.902 -2.009 1.00 0.00 H new ATOM 0 HA SER A 40 -1.183 -9.669 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.991 -9.908 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.040 -11.238 -1.194 1.00 0.00 H new ATOM 0 HG SER A 40 1.807 -9.547 -2.702 1.00 0.00 H new ATOM 587 N ILE A 41 -1.341 -8.333 0.315 1.00 0.00 N ATOM 588 CA ILE A 41 -2.208 -8.129 1.470 1.00 0.00 C ATOM 589 C ILE A 41 -3.330 -7.148 1.140 1.00 0.00 C ATOM 590 O ILE A 41 -4.430 -7.239 1.684 1.00 0.00 O ATOM 591 CB ILE A 41 -1.415 -7.600 2.682 1.00 0.00 C ATOM 592 CG1 ILE A 41 -0.230 -8.522 2.986 1.00 0.00 C ATOM 593 CG2 ILE A 41 -2.323 -7.478 3.898 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.694 -7.989 4.061 1.00 0.00 C ATOM 0 H ILE A 41 -0.494 -7.765 0.318 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.636 -9.098 1.725 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.029 -6.610 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.609 -9.496 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.342 -8.678 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.748 -7.103 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.136 -6.787 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.735 -8.457 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.509 -8.694 4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.102 -7.028 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.137 -7.860 4.989 1.00 0.00 H new ATOM 606 N LEU A 42 -3.040 -6.211 0.240 1.00 0.00 N ATOM 607 CA LEU A 42 -4.015 -5.207 -0.172 1.00 0.00 C ATOM 608 C LEU A 42 -5.198 -5.866 -0.879 1.00 0.00 C ATOM 609 O LEU A 42 -6.343 -5.442 -0.722 1.00 0.00 O ATOM 610 CB LEU A 42 -3.343 -4.183 -1.099 1.00 0.00 C ATOM 611 CG LEU A 42 -4.007 -2.800 -1.185 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.310 -2.871 -1.967 1.00 0.00 C ATOM 613 CD2 LEU A 42 -4.249 -2.228 0.205 1.00 0.00 C ATOM 0 H LEU A 42 -2.133 -6.127 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.390 -4.695 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.313 -4.048 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.303 -4.606 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.327 -2.134 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.761 -1.880 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.109 -3.226 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.995 -3.558 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.720 -1.249 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.903 -2.897 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.298 -2.128 0.728 1.00 0.00 H new