USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 9 CYS SG : rot 180:sc= 0.0507 USER MOD Set 1.2: A 24 CYS SG : rot -170:sc= 0.0497 USER MOD Single : A 1 MET CE :methyl -100:sc= -0.0265 (180deg=-0.539) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.269 (180deg=-1.66!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 173:sc= -5.69! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.277 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.156) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -1.54 (180deg=-3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.834 -12.312 6.156 1.00 0.00 N ATOM 2 CA MET A 1 -8.458 -11.913 5.757 1.00 0.00 C ATOM 3 C MET A 1 -8.239 -10.417 5.947 1.00 0.00 C ATOM 4 O MET A 1 -9.143 -9.695 6.371 1.00 0.00 O ATOM 5 CB MET A 1 -8.243 -12.296 4.291 1.00 0.00 C ATOM 6 CG MET A 1 -9.362 -11.835 3.371 1.00 0.00 C ATOM 7 SD MET A 1 -9.871 -13.113 2.204 1.00 0.00 S ATOM 8 CE MET A 1 -11.634 -12.808 2.116 1.00 0.00 C ATOM 0 H1 MET A 1 -10.182 -13.051 5.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.821 -12.679 7.129 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.463 -11.485 6.107 1.00 0.00 H new ATOM 0 HA MET A 1 -7.739 -12.432 6.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.301 -11.868 3.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.147 -13.379 4.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.220 -11.534 3.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.034 -10.954 2.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.159 -13.522 2.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.846 -11.795 2.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.972 -12.921 1.086 1.00 0.00 H new ATOM 20 N TYR A 2 -7.031 -9.958 5.635 1.00 0.00 N ATOM 21 CA TYR A 2 -6.687 -8.547 5.774 1.00 0.00 C ATOM 22 C TYR A 2 -6.426 -7.906 4.413 1.00 0.00 C ATOM 23 O TYR A 2 -6.078 -8.585 3.447 1.00 0.00 O ATOM 24 CB TYR A 2 -5.454 -8.389 6.667 1.00 0.00 C ATOM 25 CG TYR A 2 -5.782 -8.073 8.109 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.311 -9.044 8.949 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.554 -6.806 8.632 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.611 -8.760 10.269 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.850 -6.515 9.950 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.378 -7.494 10.764 1.00 0.00 C ATOM 31 OH TYR A 2 -6.674 -7.207 12.076 1.00 0.00 O ATOM 0 H TYR A 2 -6.273 -10.543 5.284 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.534 -8.039 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.870 -9.308 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.825 -7.595 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.491 -10.037 8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.139 -6.036 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.025 -9.525 10.908 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.668 -5.525 10.341 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.449 -6.272 12.265 1.00 0.00 H new ATOM 41 N ILE A 3 -6.606 -6.592 4.351 1.00 0.00 N ATOM 42 CA ILE A 3 -6.385 -5.835 3.126 1.00 0.00 C ATOM 43 C ILE A 3 -5.472 -4.646 3.394 1.00 0.00 C ATOM 44 O ILE A 3 -5.326 -4.215 4.536 1.00 0.00 O ATOM 45 CB ILE A 3 -7.710 -5.307 2.544 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.536 -4.633 3.641 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.503 -6.431 1.899 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.427 -3.524 3.128 1.00 0.00 C ATOM 0 H ILE A 3 -6.907 -6.025 5.143 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.922 -6.513 2.409 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.478 -4.570 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.152 -5.384 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.862 -4.227 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.434 -6.034 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.917 -6.873 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.727 -7.193 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.984 -3.091 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.815 -2.753 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.125 -3.928 2.395 1.00 0.00 H new ATOM 60 N ILE A 4 -4.885 -4.097 2.337 1.00 0.00 N ATOM 61 CA ILE A 4 -4.025 -2.929 2.472 1.00 0.00 C ATOM 62 C ILE A 4 -4.505 -1.813 1.544 1.00 0.00 C ATOM 63 O ILE A 4 -5.075 -2.071 0.486 1.00 0.00 O ATOM 64 CB ILE A 4 -2.545 -3.277 2.188 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.927 -3.963 3.411 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.738 -2.035 1.830 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.131 -5.461 3.442 1.00 0.00 C ATOM 0 H ILE A 4 -4.988 -4.440 1.382 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.086 -2.582 3.504 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.518 -3.954 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.858 -3.751 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.356 -3.529 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.703 -2.317 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.160 -1.571 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.773 -1.327 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.665 -5.873 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.198 -5.683 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.677 -5.908 2.558 1.00 0.00 H new ATOM 79 N PHE A 5 -4.300 -0.572 1.965 1.00 0.00 N ATOM 80 CA PHE A 5 -4.744 0.579 1.192 1.00 0.00 C ATOM 81 C PHE A 5 -3.759 1.732 1.317 1.00 0.00 C ATOM 82 O PHE A 5 -2.613 1.538 1.721 1.00 0.00 O ATOM 83 CB PHE A 5 -6.127 1.025 1.664 1.00 0.00 C ATOM 84 CG PHE A 5 -6.463 0.599 3.063 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.093 -0.612 3.303 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.159 1.414 4.139 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.406 -1.002 4.590 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.479 1.034 5.425 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.095 -0.177 5.652 1.00 0.00 C ATOM 0 H PHE A 5 -3.829 -0.337 2.838 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.798 0.285 0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.187 2.112 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.878 0.625 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.342 -1.258 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.665 2.359 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.893 -1.950 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.247 1.686 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.334 -0.481 6.660 1.00 0.00 H new ATOM 99 N ARG A 6 -4.212 2.937 0.979 1.00 0.00 N ATOM 100 CA ARG A 6 -3.357 4.115 1.047 1.00 0.00 C ATOM 101 C ARG A 6 -4.075 5.277 1.723 1.00 0.00 C ATOM 102 O ARG A 6 -5.112 5.746 1.249 1.00 0.00 O ATOM 103 CB ARG A 6 -2.908 4.525 -0.357 1.00 0.00 C ATOM 104 CG ARG A 6 -1.656 3.803 -0.829 1.00 0.00 C ATOM 105 CD ARG A 6 -1.790 3.339 -2.269 1.00 0.00 C ATOM 106 NE ARG A 6 -1.292 4.336 -3.213 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.818 4.038 -4.419 1.00 0.00 C ATOM 108 NH1 ARG A 6 -0.780 2.776 -4.826 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.384 5.002 -5.219 1.00 0.00 N ATOM 0 H ARG A 6 -5.162 3.121 0.657 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.481 3.861 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.717 4.329 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.726 5.600 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.796 4.467 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.465 2.944 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.241 2.407 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.837 3.126 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.309 5.316 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.115 2.032 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.416 2.549 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.413 5.973 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.021 4.772 -6.144 1.00 0.00 H new ATOM 123 N CYS A 7 -3.516 5.733 2.840 1.00 0.00 N ATOM 124 CA CYS A 7 -4.090 6.840 3.583 1.00 0.00 C ATOM 125 C CYS A 7 -3.768 8.164 2.893 1.00 0.00 C ATOM 126 O CYS A 7 -2.739 8.287 2.224 1.00 0.00 O ATOM 127 CB CYS A 7 -3.573 6.830 5.023 1.00 0.00 C ATOM 128 SG CYS A 7 -2.565 5.390 5.442 1.00 0.00 S ATOM 0 H CYS A 7 -2.664 5.349 3.248 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.174 6.728 3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.985 7.732 5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.424 6.873 5.702 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.054 5.548 6.627 1.00 0.00 H new ATOM 134 N ASP A 8 -4.635 9.160 3.085 1.00 0.00 N ATOM 135 CA ASP A 8 -4.492 10.450 2.410 1.00 0.00 C ATOM 136 C ASP A 8 -3.173 11.125 2.752 1.00 0.00 C ATOM 137 O ASP A 8 -2.685 11.967 1.997 1.00 0.00 O ATOM 138 CB ASP A 8 -5.655 11.374 2.782 1.00 0.00 C ATOM 139 CG ASP A 8 -5.872 12.472 1.760 1.00 0.00 C ATOM 140 OD1 ASP A 8 -5.658 12.216 0.557 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.259 13.589 2.163 1.00 0.00 O ATOM 0 H ASP A 8 -5.444 9.097 3.703 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.504 10.259 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.567 10.785 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.462 11.822 3.757 1.00 0.00 H new ATOM 146 N CYS A 9 -2.579 10.734 3.870 1.00 0.00 N ATOM 147 CA CYS A 9 -1.283 11.267 4.266 1.00 0.00 C ATOM 148 C CYS A 9 -0.188 10.700 3.368 1.00 0.00 C ATOM 149 O CYS A 9 1.002 10.912 3.605 1.00 0.00 O ATOM 150 CB CYS A 9 -0.993 10.916 5.723 1.00 0.00 C ATOM 151 SG CYS A 9 -2.159 11.635 6.903 1.00 0.00 S ATOM 0 H CYS A 9 -2.972 10.051 4.518 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.303 12.352 4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.004 9.832 5.833 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.013 11.252 5.973 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.831 11.278 8.109 1.00 0.00 H new ATOM 157 N GLY A 10 -0.607 9.968 2.338 1.00 0.00 N ATOM 158 CA GLY A 10 0.332 9.334 1.434 1.00 0.00 C ATOM 159 C GLY A 10 0.845 8.029 2.003 1.00 0.00 C ATOM 160 O GLY A 10 1.718 7.384 1.424 1.00 0.00 O ATOM 0 H GLY A 10 -1.588 9.803 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.151 9.150 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.170 10.006 1.246 1.00 0.00 H new ATOM 164 N ARG A 11 0.344 7.687 3.185 1.00 0.00 N ATOM 165 CA ARG A 11 0.745 6.465 3.871 1.00 0.00 C ATOM 166 C ARG A 11 -0.047 5.260 3.372 1.00 0.00 C ATOM 167 O ARG A 11 -0.614 5.279 2.280 1.00 0.00 O ATOM 168 CB ARG A 11 0.563 6.623 5.383 1.00 0.00 C ATOM 169 CG ARG A 11 0.807 8.038 5.882 1.00 0.00 C ATOM 170 CD ARG A 11 1.459 8.042 7.255 1.00 0.00 C ATOM 171 NE ARG A 11 1.301 9.327 7.931 1.00 0.00 N ATOM 172 CZ ARG A 11 2.210 9.845 8.751 1.00 0.00 C ATOM 173 NH1 ARG A 11 3.337 9.191 8.998 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.992 11.020 9.325 1.00 0.00 N ATOM 0 H ARG A 11 -0.345 8.244 3.691 1.00 0.00 H new ATOM 0 HA ARG A 11 1.798 6.290 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.449 6.322 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.244 5.944 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.444 8.569 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.139 8.577 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.020 7.254 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.520 7.814 7.153 1.00 0.00 H new ATOM 0 HE ARG A 11 0.445 9.857 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.509 8.287 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.032 9.592 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.127 11.527 9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.690 11.417 9.954 1.00 0.00 H new ATOM 188 N ALA A 12 -0.091 4.221 4.200 1.00 0.00 N ATOM 189 CA ALA A 12 -0.823 3.001 3.883 1.00 0.00 C ATOM 190 C ALA A 12 -1.219 2.275 5.165 1.00 0.00 C ATOM 191 O ALA A 12 -0.508 2.350 6.167 1.00 0.00 O ATOM 192 CB ALA A 12 0.021 2.098 2.997 1.00 0.00 C ATOM 0 H ALA A 12 0.378 4.201 5.106 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.731 3.266 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.536 1.190 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.263 2.620 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.942 1.836 3.517 1.00 0.00 H new ATOM 198 N LEU A 13 -2.357 1.583 5.144 1.00 0.00 N ATOM 199 CA LEU A 13 -2.819 0.869 6.335 1.00 0.00 C ATOM 200 C LEU A 13 -3.439 -0.484 5.987 1.00 0.00 C ATOM 201 O LEU A 13 -3.542 -0.853 4.818 1.00 0.00 O ATOM 202 CB LEU A 13 -3.823 1.726 7.107 1.00 0.00 C ATOM 203 CG LEU A 13 -3.203 2.720 8.092 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.205 3.805 8.455 1.00 0.00 C ATOM 205 CD2 LEU A 13 -2.716 2.000 9.341 1.00 0.00 C ATOM 0 H LEU A 13 -2.968 1.501 4.331 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.948 0.679 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.432 2.279 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.495 1.066 7.655 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.345 3.192 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.747 4.503 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.505 4.340 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.082 3.351 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.278 2.722 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.556 1.501 9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.964 1.260 9.065 1.00 0.00 H new ATOM 217 N TYR A 14 -3.844 -1.221 7.023 1.00 0.00 N ATOM 218 CA TYR A 14 -4.439 -2.546 6.851 1.00 0.00 C ATOM 219 C TYR A 14 -5.747 -2.666 7.635 1.00 0.00 C ATOM 220 O TYR A 14 -5.877 -2.119 8.731 1.00 0.00 O ATOM 221 CB TYR A 14 -3.460 -3.628 7.314 1.00 0.00 C ATOM 222 CG TYR A 14 -2.830 -3.345 8.659 1.00 0.00 C ATOM 223 CD1 TYR A 14 -3.455 -3.735 9.838 1.00 0.00 C ATOM 224 CD2 TYR A 14 -1.606 -2.694 8.751 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.880 -3.479 11.068 1.00 0.00 C ATOM 226 CE2 TYR A 14 -1.025 -2.436 9.978 1.00 0.00 C ATOM 227 CZ TYR A 14 -1.666 -2.830 11.133 1.00 0.00 C ATOM 228 OH TYR A 14 -1.090 -2.575 12.357 1.00 0.00 O ATOM 0 H TYR A 14 -3.770 -0.920 7.995 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.656 -2.683 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.984 -4.583 7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.672 -3.734 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.405 -4.246 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.100 -2.384 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.380 -3.786 11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.073 -1.928 10.032 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.236 -2.112 12.227 1.00 0.00 H new ATOM 238 N SER A 15 -6.709 -3.393 7.069 1.00 0.00 N ATOM 239 CA SER A 15 -8.003 -3.603 7.716 1.00 0.00 C ATOM 240 C SER A 15 -8.644 -4.898 7.228 1.00 0.00 C ATOM 241 O SER A 15 -8.002 -5.700 6.555 1.00 0.00 O ATOM 242 CB SER A 15 -8.942 -2.424 7.440 1.00 0.00 C ATOM 243 OG SER A 15 -10.074 -2.459 8.291 1.00 0.00 O ATOM 0 H SER A 15 -6.616 -3.848 6.161 1.00 0.00 H new ATOM 0 HA SER A 15 -7.834 -3.676 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.405 -1.487 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.265 -2.449 6.399 1.00 0.00 H new ATOM 0 HG SER A 15 -10.655 -1.695 8.094 1.00 0.00 H new ATOM 249 N ARG A 16 -9.908 -5.101 7.577 1.00 0.00 N ATOM 250 CA ARG A 16 -10.629 -6.298 7.161 1.00 0.00 C ATOM 251 C ARG A 16 -11.022 -6.219 5.691 1.00 0.00 C ATOM 252 O ARG A 16 -11.340 -5.145 5.180 1.00 0.00 O ATOM 253 CB ARG A 16 -11.877 -6.493 8.019 1.00 0.00 C ATOM 254 CG ARG A 16 -11.797 -7.698 8.940 1.00 0.00 C ATOM 255 CD ARG A 16 -13.169 -8.300 9.192 1.00 0.00 C ATOM 256 NE ARG A 16 -13.214 -9.719 8.848 1.00 0.00 N ATOM 257 CZ ARG A 16 -12.731 -10.683 9.625 1.00 0.00 C ATOM 258 NH1 ARG A 16 -12.167 -10.383 10.788 1.00 0.00 N ATOM 259 NH2 ARG A 16 -12.812 -11.949 9.240 1.00 0.00 N ATOM 0 H ARG A 16 -10.454 -4.454 8.146 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.964 -7.151 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.039 -5.597 8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.743 -6.601 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.144 -8.451 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.349 -7.403 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.434 -8.173 10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.915 -7.761 8.607 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.641 -9.985 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.103 -9.410 11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.797 -11.125 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.245 -12.184 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.441 -12.688 9.837 1.00 0.00 H new ATOM 273 N GLU A 17 -10.995 -7.365 5.018 1.00 0.00 N ATOM 274 CA GLU A 17 -11.356 -7.437 3.606 1.00 0.00 C ATOM 275 C GLU A 17 -12.756 -6.881 3.367 1.00 0.00 C ATOM 276 O GLU A 17 -13.753 -7.519 3.705 1.00 0.00 O ATOM 277 CB GLU A 17 -11.283 -8.885 3.118 1.00 0.00 C ATOM 278 CG GLU A 17 -10.792 -9.022 1.686 1.00 0.00 C ATOM 279 CD GLU A 17 -11.739 -8.395 0.681 1.00 0.00 C ATOM 280 OE1 GLU A 17 -12.928 -8.777 0.667 1.00 0.00 O ATOM 281 OE2 GLU A 17 -11.290 -7.523 -0.092 1.00 0.00 O ATOM 0 H GLU A 17 -10.726 -8.259 5.429 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.646 -6.830 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.621 -9.448 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.272 -9.337 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.811 -8.555 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.665 -10.078 1.449 1.00 0.00 H new ATOM 288 N GLY A 18 -12.825 -5.694 2.769 1.00 0.00 N ATOM 289 CA GLY A 18 -14.111 -5.083 2.484 1.00 0.00 C ATOM 290 C GLY A 18 -14.110 -3.583 2.702 1.00 0.00 C ATOM 291 O GLY A 18 -15.117 -2.916 2.460 1.00 0.00 O ATOM 0 H GLY A 18 -12.015 -5.146 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.388 -5.295 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.872 -5.537 3.118 1.00 0.00 H new ATOM 295 N ALA A 19 -12.990 -3.050 3.181 1.00 0.00 N ATOM 296 CA ALA A 19 -12.871 -1.617 3.426 1.00 0.00 C ATOM 297 C ALA A 19 -12.696 -0.854 2.118 1.00 0.00 C ATOM 298 O ALA A 19 -11.676 -0.989 1.443 1.00 0.00 O ATOM 299 CB ALA A 19 -11.714 -1.332 4.373 1.00 0.00 C ATOM 0 H ALA A 19 -12.153 -3.588 3.407 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.793 -1.275 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.640 -0.258 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.887 -1.840 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.785 -1.694 3.932 1.00 0.00 H new ATOM 305 N LYS A 20 -13.702 -0.062 1.761 1.00 0.00 N ATOM 306 CA LYS A 20 -13.653 0.731 0.539 1.00 0.00 C ATOM 307 C LYS A 20 -13.007 2.087 0.804 1.00 0.00 C ATOM 308 O LYS A 20 -12.148 2.541 0.046 1.00 0.00 O ATOM 309 CB LYS A 20 -15.063 0.928 -0.026 1.00 0.00 C ATOM 310 CG LYS A 20 -15.629 -0.310 -0.704 1.00 0.00 C ATOM 311 CD LYS A 20 -16.446 -1.152 0.263 1.00 0.00 C ATOM 312 CE LYS A 20 -16.678 -2.553 -0.279 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.960 -3.134 0.210 1.00 0.00 N ATOM 0 H LYS A 20 -14.561 0.047 2.301 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.050 0.193 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.730 1.226 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.046 1.748 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.254 -0.011 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.813 -0.909 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.930 -1.212 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.405 -0.668 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.685 -2.524 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.851 -3.198 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.080 -4.090 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.944 -3.186 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.752 -2.533 -0.094 1.00 0.00 H new ATOM 327 N THR A 21 -13.426 2.727 1.891 1.00 0.00 N ATOM 328 CA THR A 21 -12.889 4.028 2.268 1.00 0.00 C ATOM 329 C THR A 21 -12.806 4.163 3.785 1.00 0.00 C ATOM 330 O THR A 21 -13.827 4.273 4.465 1.00 0.00 O ATOM 331 CB THR A 21 -13.759 5.148 1.693 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.112 4.739 1.606 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.323 5.594 0.314 1.00 0.00 C ATOM 0 H THR A 21 -14.137 2.365 2.526 1.00 0.00 H new ATOM 0 HA THR A 21 -11.883 4.111 1.857 1.00 0.00 H new ATOM 0 HB THR A 21 -13.645 5.985 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.652 5.470 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.981 6.390 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.298 5.963 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.375 4.751 -0.375 1.00 0.00 H new ATOM 341 N ARG A 22 -11.584 4.172 4.307 1.00 0.00 N ATOM 342 CA ARG A 22 -11.365 4.305 5.742 1.00 0.00 C ATOM 343 C ARG A 22 -11.310 5.778 6.137 1.00 0.00 C ATOM 344 O ARG A 22 -11.785 6.641 5.400 1.00 0.00 O ATOM 345 CB ARG A 22 -10.068 3.603 6.149 1.00 0.00 C ATOM 346 CG ARG A 22 -10.279 2.193 6.681 1.00 0.00 C ATOM 347 CD ARG A 22 -10.436 2.183 8.193 1.00 0.00 C ATOM 348 NE ARG A 22 -9.570 3.163 8.844 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.274 2.969 9.072 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.695 1.835 8.701 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.557 3.911 9.669 1.00 0.00 N ATOM 0 H ARG A 22 -10.729 4.089 3.757 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.198 3.834 6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.402 3.561 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.566 4.199 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.166 1.758 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.433 1.566 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.475 2.391 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.206 1.188 8.574 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.983 4.047 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.244 1.109 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.701 1.689 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.999 4.785 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.563 3.762 9.844 1.00 0.00 H new ATOM 365 N LYS A 23 -10.734 6.063 7.302 1.00 0.00 N ATOM 366 CA LYS A 23 -10.632 7.437 7.777 1.00 0.00 C ATOM 367 C LYS A 23 -9.392 7.629 8.641 1.00 0.00 C ATOM 368 O LYS A 23 -8.978 6.723 9.365 1.00 0.00 O ATOM 369 CB LYS A 23 -11.883 7.817 8.571 1.00 0.00 C ATOM 370 CG LYS A 23 -11.962 9.296 8.909 1.00 0.00 C ATOM 371 CD LYS A 23 -13.194 9.615 9.740 1.00 0.00 C ATOM 372 CE LYS A 23 -14.182 10.472 8.966 1.00 0.00 C ATOM 373 NZ LYS A 23 -14.625 9.811 7.708 1.00 0.00 N ATOM 0 H LYS A 23 -10.334 5.365 7.929 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.547 8.088 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.766 7.536 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.906 7.240 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.067 9.593 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.982 9.880 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.678 8.687 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.895 10.135 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.050 10.680 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.722 11.432 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.526 10.226 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.906 9.951 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.753 8.793 7.877 1.00 0.00 H new ATOM 387 N CYS A 24 -8.807 8.820 8.560 1.00 0.00 N ATOM 388 CA CYS A 24 -7.622 9.148 9.342 1.00 0.00 C ATOM 389 C CYS A 24 -8.005 9.951 10.579 1.00 0.00 C ATOM 390 O CYS A 24 -8.674 10.980 10.481 1.00 0.00 O ATOM 391 CB CYS A 24 -6.626 9.940 8.492 1.00 0.00 C ATOM 392 SG CYS A 24 -4.925 9.337 8.591 1.00 0.00 S ATOM 0 H CYS A 24 -9.136 9.575 7.959 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.152 8.217 9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.950 9.911 7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.648 10.984 8.804 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.128 10.190 8.019 1.00 0.00 H new ATOM 398 N VAL A 25 -7.588 9.467 11.743 1.00 0.00 N ATOM 399 CA VAL A 25 -7.898 10.132 13.001 1.00 0.00 C ATOM 400 C VAL A 25 -7.156 11.458 13.117 1.00 0.00 C ATOM 401 O VAL A 25 -7.575 12.355 13.849 1.00 0.00 O ATOM 402 CB VAL A 25 -7.544 9.244 14.209 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.365 9.646 15.424 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.759 7.776 13.870 1.00 0.00 C ATOM 0 H VAL A 25 -7.034 8.616 11.841 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.972 10.320 13.005 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.490 9.387 14.449 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.102 9.008 16.268 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.157 10.686 15.676 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.426 9.532 15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.504 7.162 14.734 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.803 7.613 13.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.123 7.500 13.029 1.00 0.00 H new ATOM 414 N CYS A 26 -6.057 11.579 12.378 1.00 0.00 N ATOM 415 CA CYS A 26 -5.264 12.802 12.384 1.00 0.00 C ATOM 416 C CYS A 26 -6.024 13.944 11.717 1.00 0.00 C ATOM 417 O CYS A 26 -5.711 15.116 11.923 1.00 0.00 O ATOM 418 CB CYS A 26 -3.932 12.573 11.666 1.00 0.00 C ATOM 419 SG CYS A 26 -2.694 13.853 11.979 1.00 0.00 S ATOM 0 H CYS A 26 -5.696 10.845 11.768 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.068 13.075 13.421 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.527 11.609 11.973 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.115 12.515 10.593 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.603 13.570 11.331 1.00 0.00 H new ATOM 425 N GLY A 27 -7.025 13.590 10.917 1.00 0.00 N ATOM 426 CA GLY A 27 -7.819 14.592 10.231 1.00 0.00 C ATOM 427 C GLY A 27 -7.790 14.429 8.724 1.00 0.00 C ATOM 428 O GLY A 27 -7.320 15.315 8.009 1.00 0.00 O ATOM 0 H GLY A 27 -7.300 12.626 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.850 14.534 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.450 15.584 10.492 1.00 0.00 H new ATOM 432 N ARG A 28 -8.315 13.305 8.242 1.00 0.00 N ATOM 433 CA ARG A 28 -8.346 13.017 6.811 1.00 0.00 C ATOM 434 C ARG A 28 -9.158 11.756 6.524 1.00 0.00 C ATOM 435 O ARG A 28 -9.916 11.287 7.373 1.00 0.00 O ATOM 436 CB ARG A 28 -6.923 12.849 6.273 1.00 0.00 C ATOM 437 CG ARG A 28 -6.428 14.052 5.489 1.00 0.00 C ATOM 438 CD ARG A 28 -4.912 14.055 5.370 1.00 0.00 C ATOM 439 NE ARG A 28 -4.265 14.425 6.626 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.232 15.259 6.706 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.728 15.808 5.608 1.00 0.00 N ATOM 442 NH2 ARG A 28 -2.701 15.545 7.887 1.00 0.00 N ATOM 0 H ARG A 28 -8.726 12.576 8.825 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.824 13.858 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.246 12.665 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.886 11.967 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.872 14.046 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.757 14.968 5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.570 13.066 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.611 14.752 4.588 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.626 14.021 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.133 15.591 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.936 16.447 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.085 15.125 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.909 16.185 7.949 1.00 0.00 H new ATOM 456 N THR A 29 -8.991 11.213 5.321 1.00 0.00 N ATOM 457 CA THR A 29 -9.700 10.003 4.917 1.00 0.00 C ATOM 458 C THR A 29 -8.768 9.064 4.156 1.00 0.00 C ATOM 459 O THR A 29 -7.990 9.500 3.309 1.00 0.00 O ATOM 460 CB THR A 29 -10.907 10.361 4.044 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.834 11.150 4.771 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.648 9.151 3.516 1.00 0.00 C ATOM 0 H THR A 29 -8.369 11.593 4.608 1.00 0.00 H new ATOM 0 HA THR A 29 -10.050 9.495 5.816 1.00 0.00 H new ATOM 0 HB THR A 29 -10.497 10.911 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.597 11.370 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.490 9.478 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.973 8.547 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.015 8.555 4.352 1.00 0.00 H new ATOM 470 N VAL A 30 -8.850 7.774 4.465 1.00 0.00 N ATOM 471 CA VAL A 30 -7.998 6.781 3.821 1.00 0.00 C ATOM 472 C VAL A 30 -8.708 6.120 2.644 1.00 0.00 C ATOM 473 O VAL A 30 -9.683 5.393 2.822 1.00 0.00 O ATOM 474 CB VAL A 30 -7.558 5.697 4.819 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.639 4.689 4.147 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.877 6.328 6.023 1.00 0.00 C ATOM 0 H VAL A 30 -9.496 7.392 5.156 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.118 7.308 3.453 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.446 5.168 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.339 3.931 4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.164 4.213 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.753 5.200 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.572 5.547 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.999 6.884 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.571 7.006 6.520 1.00 0.00 H new ATOM 486 N ASN A 31 -8.227 6.404 1.440 1.00 0.00 N ATOM 487 CA ASN A 31 -8.808 5.834 0.228 1.00 0.00 C ATOM 488 C ASN A 31 -8.044 4.591 -0.216 1.00 0.00 C ATOM 489 O ASN A 31 -6.854 4.661 -0.525 1.00 0.00 O ATOM 490 CB ASN A 31 -8.812 6.872 -0.896 1.00 0.00 C ATOM 491 CG ASN A 31 -10.148 6.950 -1.608 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.847 7.962 -1.530 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.510 5.882 -2.306 1.00 0.00 N ATOM 0 H ASN A 31 -7.436 7.026 1.275 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.834 5.543 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.566 7.851 -0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.033 6.625 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.399 5.877 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.899 5.066 -2.343 1.00 0.00 H new ATOM 500 N VAL A 32 -8.725 3.448 -0.232 1.00 0.00 N ATOM 501 CA VAL A 32 -8.099 2.205 -0.667 1.00 0.00 C ATOM 502 C VAL A 32 -7.741 2.267 -2.151 1.00 0.00 C ATOM 503 O VAL A 32 -7.758 3.341 -2.754 1.00 0.00 O ATOM 504 CB VAL A 32 -8.985 0.973 -0.371 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.578 1.076 1.027 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.087 0.805 -1.408 1.00 0.00 C ATOM 0 H VAL A 32 -9.701 3.358 0.049 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.181 2.090 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.351 0.088 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.200 0.203 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.773 1.121 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.186 1.978 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.686 -0.072 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.723 1.690 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.642 0.676 -2.395 1.00 0.00 H new ATOM 516 N LYS A 33 -7.400 1.121 -2.733 1.00 0.00 N ATOM 517 CA LYS A 33 -7.030 1.061 -4.144 1.00 0.00 C ATOM 518 C LYS A 33 -8.144 1.615 -5.027 1.00 0.00 C ATOM 519 O LYS A 33 -9.194 2.029 -4.535 1.00 0.00 O ATOM 520 CB LYS A 33 -6.715 -0.381 -4.548 1.00 0.00 C ATOM 521 CG LYS A 33 -5.309 -0.566 -5.093 1.00 0.00 C ATOM 522 CD LYS A 33 -5.329 -1.155 -6.495 1.00 0.00 C ATOM 523 CE LYS A 33 -4.232 -2.191 -6.678 1.00 0.00 C ATOM 524 NZ LYS A 33 -4.327 -2.873 -7.999 1.00 0.00 N ATOM 0 H LYS A 33 -7.372 0.223 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.141 1.676 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.848 -1.030 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.433 -0.704 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.794 0.394 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.744 -1.221 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.300 -1.613 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.204 -0.358 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.259 -1.709 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.296 -2.932 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.371 -3.036 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.814 -3.785 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.862 -2.275 -8.661 1.00 0.00 H new ATOM 538 N ASP A 34 -7.920 1.598 -6.338 1.00 0.00 N ATOM 539 CA ASP A 34 -8.911 2.094 -7.283 1.00 0.00 C ATOM 540 C ASP A 34 -9.863 0.976 -7.681 1.00 0.00 C ATOM 541 O ASP A 34 -11.083 1.149 -7.669 1.00 0.00 O ATOM 542 CB ASP A 34 -8.228 2.669 -8.525 1.00 0.00 C ATOM 543 CG ASP A 34 -7.286 3.809 -8.192 1.00 0.00 C ATOM 544 OD1 ASP A 34 -6.135 3.533 -7.795 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.701 4.980 -8.327 1.00 0.00 O ATOM 0 H ASP A 34 -7.064 1.247 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.480 2.889 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.673 1.878 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.987 3.021 -9.223 1.00 0.00 H new ATOM 550 N ARG A 35 -9.299 -0.181 -8.009 1.00 0.00 N ATOM 551 CA ARG A 35 -10.100 -1.344 -8.367 1.00 0.00 C ATOM 552 C ARG A 35 -10.521 -2.100 -7.107 1.00 0.00 C ATOM 553 O ARG A 35 -11.381 -1.635 -6.358 1.00 0.00 O ATOM 554 CB ARG A 35 -9.324 -2.262 -9.318 1.00 0.00 C ATOM 555 CG ARG A 35 -7.825 -2.297 -9.056 1.00 0.00 C ATOM 556 CD ARG A 35 -7.197 -3.575 -9.589 1.00 0.00 C ATOM 557 NE ARG A 35 -7.279 -3.658 -11.046 1.00 0.00 N ATOM 558 CZ ARG A 35 -6.478 -2.989 -11.870 1.00 0.00 C ATOM 559 NH1 ARG A 35 -5.537 -2.190 -11.383 1.00 0.00 N ATOM 560 NH2 ARG A 35 -6.617 -3.118 -13.181 1.00 0.00 N ATOM 0 H ARG A 35 -8.291 -0.338 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.998 -1.005 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.721 -3.274 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.496 -1.935 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.352 -1.434 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.640 -2.218 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.152 -3.622 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.698 -4.437 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.991 -4.264 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.427 -2.088 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.924 -1.678 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.339 -3.731 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.002 -2.604 -13.812 1.00 0.00 H new ATOM 574 N ARG A 36 -9.911 -3.259 -6.867 1.00 0.00 N ATOM 575 CA ARG A 36 -10.221 -4.053 -5.684 1.00 0.00 C ATOM 576 C ARG A 36 -9.570 -3.458 -4.436 1.00 0.00 C ATOM 577 O ARG A 36 -10.136 -2.576 -3.790 1.00 0.00 O ATOM 578 CB ARG A 36 -9.760 -5.500 -5.879 1.00 0.00 C ATOM 579 CG ARG A 36 -10.354 -6.166 -7.107 1.00 0.00 C ATOM 580 CD ARG A 36 -11.710 -6.783 -6.805 1.00 0.00 C ATOM 581 NE ARG A 36 -12.004 -7.917 -7.678 1.00 0.00 N ATOM 582 CZ ARG A 36 -11.882 -9.186 -7.304 1.00 0.00 C ATOM 583 NH1 ARG A 36 -11.476 -9.485 -6.077 1.00 0.00 N ATOM 584 NH2 ARG A 36 -12.169 -10.160 -8.158 1.00 0.00 N ATOM 0 H ARG A 36 -9.201 -3.667 -7.475 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.302 -4.040 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.673 -5.519 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.028 -6.080 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.457 -5.432 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.674 -6.938 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.736 -7.110 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.486 -6.026 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.321 -7.724 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.256 -8.739 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.384 -10.461 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.483 -9.935 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.075 -11.134 -7.871 1.00 0.00 H new ATOM 598 N ILE A 37 -8.381 -3.955 -4.099 1.00 0.00 N ATOM 599 CA ILE A 37 -7.656 -3.488 -2.923 1.00 0.00 C ATOM 600 C ILE A 37 -6.152 -3.694 -3.098 1.00 0.00 C ATOM 601 O ILE A 37 -5.720 -4.538 -3.884 1.00 0.00 O ATOM 602 CB ILE A 37 -8.149 -4.216 -1.645 1.00 0.00 C ATOM 603 CG1 ILE A 37 -9.016 -3.272 -0.802 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.988 -4.767 -0.820 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.226 -2.330 0.084 1.00 0.00 C ATOM 0 H ILE A 37 -7.900 -4.683 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.851 -2.422 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.753 -5.068 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.646 -2.683 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.681 -3.868 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.377 -5.269 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.420 -5.478 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.337 -3.948 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.913 -1.697 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.616 -2.909 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.580 -1.705 -0.533 1.00 0.00 H new ATOM 617 N PHE A 38 -5.365 -2.925 -2.355 1.00 0.00 N ATOM 618 CA PHE A 38 -3.915 -3.043 -2.406 1.00 0.00 C ATOM 619 C PHE A 38 -3.428 -4.037 -1.356 1.00 0.00 C ATOM 620 O PHE A 38 -4.014 -4.147 -0.285 1.00 0.00 O ATOM 621 CB PHE A 38 -3.263 -1.677 -2.179 1.00 0.00 C ATOM 622 CG PHE A 38 -1.853 -1.583 -2.695 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.822 -2.254 -2.058 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.559 -0.813 -3.808 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.473 -2.171 -2.529 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.264 -0.722 -4.282 1.00 0.00 C ATOM 627 CZ PHE A 38 0.754 -1.402 -3.639 1.00 0.00 C ATOM 0 H PHE A 38 -5.708 -2.213 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.631 -3.408 -3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.869 -0.911 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.265 -1.457 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.034 -2.849 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.351 -0.278 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.265 -2.708 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.048 -0.121 -5.153 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.767 -1.331 -4.005 1.00 0.00 H new ATOM 637 N GLY A 39 -2.375 -4.775 -1.691 1.00 0.00 N ATOM 638 CA GLY A 39 -1.811 -5.750 -0.771 1.00 0.00 C ATOM 639 C GLY A 39 -2.860 -6.598 -0.077 1.00 0.00 C ATOM 640 O GLY A 39 -3.419 -6.195 0.941 1.00 0.00 O ATOM 0 H GLY A 39 -1.898 -4.715 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.130 -6.402 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.219 -5.229 -0.018 1.00 0.00 H new ATOM 644 N ARG A 40 -3.124 -7.781 -0.618 1.00 0.00 N ATOM 645 CA ARG A 40 -4.089 -8.687 -0.012 1.00 0.00 C ATOM 646 C ARG A 40 -3.386 -9.624 0.957 1.00 0.00 C ATOM 647 O ARG A 40 -2.909 -10.694 0.575 1.00 0.00 O ATOM 648 CB ARG A 40 -4.831 -9.490 -1.079 1.00 0.00 C ATOM 649 CG ARG A 40 -6.329 -9.562 -0.839 1.00 0.00 C ATOM 650 CD ARG A 40 -6.688 -10.685 0.121 1.00 0.00 C ATOM 651 NE ARG A 40 -6.625 -11.996 -0.520 1.00 0.00 N ATOM 652 CZ ARG A 40 -6.601 -13.145 0.149 1.00 0.00 C ATOM 653 NH1 ARG A 40 -6.634 -13.144 1.475 1.00 0.00 N ATOM 654 NH2 ARG A 40 -6.544 -14.297 -0.506 1.00 0.00 N ATOM 0 H ARG A 40 -2.686 -8.133 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.821 -8.092 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.647 -9.042 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.426 -10.501 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.680 -8.612 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.843 -9.715 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.008 -10.665 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.692 -10.521 0.511 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.598 -12.032 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.678 -12.261 1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.616 -14.026 1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.518 -14.303 -1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.526 -15.177 0.010 1.00 0.00 H new ATOM 668 N ALA A 41 -3.290 -9.192 2.207 1.00 0.00 N ATOM 669 CA ALA A 41 -2.608 -9.963 3.234 1.00 0.00 C ATOM 670 C ALA A 41 -3.579 -10.849 4.002 1.00 0.00 C ATOM 671 O ALA A 41 -4.532 -10.362 4.604 1.00 0.00 O ATOM 672 CB ALA A 41 -1.878 -9.028 4.188 1.00 0.00 C ATOM 0 H ALA A 41 -3.678 -8.307 2.534 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.883 -10.613 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.370 -9.614 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.145 -8.442 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.596 -8.357 4.661 1.00 0.00 H new ATOM 678 N ASP A 42 -3.321 -12.151 3.990 1.00 0.00 N ATOM 679 CA ASP A 42 -4.162 -13.099 4.704 1.00 0.00 C ATOM 680 C ASP A 42 -3.788 -13.125 6.180 1.00 0.00 C ATOM 681 O ASP A 42 -4.654 -13.202 7.052 1.00 0.00 O ATOM 682 CB ASP A 42 -4.022 -14.500 4.104 1.00 0.00 C ATOM 683 CG ASP A 42 -2.879 -14.601 3.113 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.709 -14.539 3.547 1.00 0.00 O ATOM 685 OD2 ASP A 42 -3.152 -14.744 1.903 1.00 0.00 O ATOM 0 H ASP A 42 -2.536 -12.573 3.493 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.200 -12.781 4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.866 -15.221 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.953 -14.773 3.607 1.00 0.00 H new ATOM 690 N ASP A 43 -2.487 -13.076 6.448 1.00 0.00 N ATOM 691 CA ASP A 43 -1.985 -13.064 7.815 1.00 0.00 C ATOM 692 C ASP A 43 -1.905 -11.638 8.347 1.00 0.00 C ATOM 693 O ASP A 43 -1.334 -10.761 7.701 1.00 0.00 O ATOM 694 CB ASP A 43 -0.604 -13.721 7.878 1.00 0.00 C ATOM 695 CG ASP A 43 -0.655 -15.128 8.443 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.600 -15.431 9.201 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.252 -15.926 8.127 1.00 0.00 O ATOM 0 H ASP A 43 -1.760 -13.044 5.733 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.678 -13.630 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.173 -13.750 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.058 -13.110 8.492 1.00 0.00 H new ATOM 702 N PHE A 44 -2.480 -11.410 9.525 1.00 0.00 N ATOM 703 CA PHE A 44 -2.455 -10.087 10.137 1.00 0.00 C ATOM 704 C PHE A 44 -1.021 -9.587 10.278 1.00 0.00 C ATOM 705 O PHE A 44 -0.745 -8.401 10.097 1.00 0.00 O ATOM 706 CB PHE A 44 -3.142 -10.111 11.506 1.00 0.00 C ATOM 707 CG PHE A 44 -2.869 -11.356 12.299 1.00 0.00 C ATOM 708 CD1 PHE A 44 -1.712 -11.474 13.051 1.00 0.00 C ATOM 709 CD2 PHE A 44 -3.775 -12.404 12.302 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.459 -12.618 13.785 1.00 0.00 C ATOM 711 CE2 PHE A 44 -3.530 -13.549 13.034 1.00 0.00 C ATOM 712 CZ PHE A 44 -2.370 -13.657 13.777 1.00 0.00 C ATOM 0 H PHE A 44 -2.966 -12.121 10.071 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.000 -9.403 9.486 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.814 -9.245 12.082 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.218 -10.010 11.364 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.999 -10.663 13.064 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.684 -12.325 11.725 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.551 -12.699 14.364 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.244 -14.359 13.026 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.176 -14.551 14.350 1.00 0.00 H new ATOM 722 N GLU A 45 -0.109 -10.505 10.591 1.00 0.00 N ATOM 723 CA GLU A 45 1.302 -10.167 10.733 1.00 0.00 C ATOM 724 C GLU A 45 1.896 -9.770 9.387 1.00 0.00 C ATOM 725 O GLU A 45 2.721 -8.857 9.300 1.00 0.00 O ATOM 726 CB GLU A 45 2.075 -11.352 11.317 1.00 0.00 C ATOM 727 CG GLU A 45 2.791 -11.031 12.620 1.00 0.00 C ATOM 728 CD GLU A 45 4.239 -10.635 12.408 1.00 0.00 C ATOM 729 OE1 GLU A 45 4.501 -9.797 11.518 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.110 -11.160 13.132 1.00 0.00 O ATOM 0 H GLU A 45 -0.324 -11.489 10.751 1.00 0.00 H new ATOM 0 HA GLU A 45 1.385 -9.320 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.384 -12.178 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.807 -11.694 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.267 -10.221 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.748 -11.900 13.277 1.00 0.00 H new ATOM 737 N GLU A 46 1.460 -10.455 8.333 1.00 0.00 N ATOM 738 CA GLU A 46 1.938 -10.171 6.986 1.00 0.00 C ATOM 739 C GLU A 46 1.460 -8.798 6.533 1.00 0.00 C ATOM 740 O GLU A 46 2.117 -8.134 5.732 1.00 0.00 O ATOM 741 CB GLU A 46 1.452 -11.245 6.010 1.00 0.00 C ATOM 742 CG GLU A 46 2.487 -12.322 5.728 1.00 0.00 C ATOM 743 CD GLU A 46 1.879 -13.571 5.120 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.541 -13.542 3.918 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.743 -14.579 5.846 1.00 0.00 O ATOM 0 H GLU A 46 0.777 -11.210 8.387 1.00 0.00 H new ATOM 0 HA GLU A 46 3.028 -10.177 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.554 -11.712 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.169 -10.770 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.244 -11.925 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.995 -12.584 6.656 1.00 0.00 H new ATOM 752 N ALA A 47 0.315 -8.377 7.057 1.00 0.00 N ATOM 753 CA ALA A 47 -0.241 -7.070 6.730 1.00 0.00 C ATOM 754 C ALA A 47 0.733 -5.959 7.113 1.00 0.00 C ATOM 755 O ALA A 47 0.930 -5.005 6.363 1.00 0.00 O ATOM 756 CB ALA A 47 -1.575 -6.873 7.434 1.00 0.00 C ATOM 0 H ALA A 47 -0.247 -8.922 7.711 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.405 -7.025 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.979 -5.893 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.273 -7.647 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.430 -6.938 8.512 1.00 0.00 H new ATOM 762 N SER A 48 1.336 -6.096 8.291 1.00 0.00 N ATOM 763 CA SER A 48 2.288 -5.110 8.790 1.00 0.00 C ATOM 764 C SER A 48 3.482 -4.961 7.850 1.00 0.00 C ATOM 765 O SER A 48 3.857 -3.847 7.483 1.00 0.00 O ATOM 766 CB SER A 48 2.777 -5.507 10.185 1.00 0.00 C ATOM 767 OG SER A 48 2.777 -4.394 11.062 1.00 0.00 O ATOM 0 H SER A 48 1.181 -6.884 8.920 1.00 0.00 H new ATOM 0 HA SER A 48 1.774 -4.150 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.137 -6.292 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.783 -5.920 10.117 1.00 0.00 H new ATOM 0 HG SER A 48 3.092 -4.675 11.947 1.00 0.00 H new ATOM 773 N GLU A 49 4.070 -6.088 7.461 1.00 0.00 N ATOM 774 CA GLU A 49 5.234 -6.081 6.589 1.00 0.00 C ATOM 775 C GLU A 49 4.876 -5.594 5.188 1.00 0.00 C ATOM 776 O GLU A 49 5.692 -4.970 4.510 1.00 0.00 O ATOM 777 CB GLU A 49 5.835 -7.485 6.523 1.00 0.00 C ATOM 778 CG GLU A 49 5.116 -8.425 5.567 1.00 0.00 C ATOM 779 CD GLU A 49 6.054 -9.421 4.913 1.00 0.00 C ATOM 780 OE1 GLU A 49 6.760 -10.141 5.648 1.00 0.00 O ATOM 781 OE2 GLU A 49 6.081 -9.479 3.665 1.00 0.00 O ATOM 0 H GLU A 49 3.757 -7.018 7.738 1.00 0.00 H new ATOM 0 HA GLU A 49 5.968 -5.390 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.880 -7.407 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.823 -7.921 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.340 -8.965 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.617 -7.840 4.794 1.00 0.00 H new ATOM 788 N LEU A 50 3.650 -5.878 4.766 1.00 0.00 N ATOM 789 CA LEU A 50 3.186 -5.475 3.444 1.00 0.00 C ATOM 790 C LEU A 50 3.086 -3.957 3.344 1.00 0.00 C ATOM 791 O LEU A 50 3.613 -3.352 2.410 1.00 0.00 O ATOM 792 CB LEU A 50 1.827 -6.109 3.142 1.00 0.00 C ATOM 793 CG LEU A 50 1.814 -7.077 1.957 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.431 -8.410 2.352 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.396 -7.274 1.444 1.00 0.00 C ATOM 0 H LEU A 50 2.960 -6.385 5.319 1.00 0.00 H new ATOM 0 HA LEU A 50 3.912 -5.823 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.486 -6.641 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.107 -5.314 2.950 1.00 0.00 H new ATOM 0 HG LEU A 50 2.412 -6.647 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.414 -9.086 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.462 -8.254 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.860 -8.846 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.407 -7.965 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.226 -7.682 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.011 -6.315 1.122 1.00 0.00 H new ATOM 807 N VAL A 51 2.441 -3.346 4.331 1.00 0.00 N ATOM 808 CA VAL A 51 2.276 -1.897 4.358 1.00 0.00 C ATOM 809 C VAL A 51 3.630 -1.199 4.454 1.00 0.00 C ATOM 810 O VAL A 51 3.788 -0.066 3.999 1.00 0.00 O ATOM 811 CB VAL A 51 1.399 -1.459 5.547 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.205 0.049 5.544 1.00 0.00 C ATOM 813 CG2 VAL A 51 0.058 -2.174 5.517 1.00 0.00 C ATOM 0 H VAL A 51 2.023 -3.832 5.124 1.00 0.00 H new ATOM 0 HA VAL A 51 1.785 -1.610 3.428 1.00 0.00 H new ATOM 0 HB VAL A 51 1.911 -1.735 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.583 0.338 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.175 0.541 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.718 0.351 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.546 -1.851 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.461 -1.934 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.218 -3.251 5.575 1.00 0.00 H new ATOM 823 N ARG A 52 4.609 -1.886 5.036 1.00 0.00 N ATOM 824 CA ARG A 52 5.954 -1.333 5.160 1.00 0.00 C ATOM 825 C ARG A 52 6.557 -1.111 3.781 1.00 0.00 C ATOM 826 O ARG A 52 7.129 -0.056 3.506 1.00 0.00 O ATOM 827 CB ARG A 52 6.844 -2.267 5.983 1.00 0.00 C ATOM 828 CG ARG A 52 7.616 -1.559 7.085 1.00 0.00 C ATOM 829 CD ARG A 52 9.098 -1.894 7.030 1.00 0.00 C ATOM 830 NE ARG A 52 9.929 -0.785 7.492 1.00 0.00 N ATOM 831 CZ ARG A 52 11.127 -0.499 6.986 1.00 0.00 C ATOM 832 NH1 ARG A 52 11.630 -1.238 6.006 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.821 0.526 7.462 1.00 0.00 N ATOM 0 H ARG A 52 4.497 -2.821 5.427 1.00 0.00 H new ATOM 0 HA ARG A 52 5.890 -0.375 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.225 -3.046 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.550 -2.762 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.482 -0.481 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.213 -1.847 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.294 -2.773 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.373 -2.151 6.007 1.00 0.00 H new ATOM 0 HE ARG A 52 9.571 -0.197 8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.099 -2.027 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.548 -1.017 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.437 1.096 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.739 0.745 7.074 1.00 0.00 H new ATOM 847 N LYS A 53 6.396 -2.098 2.904 1.00 0.00 N ATOM 848 CA LYS A 53 6.865 -1.969 1.533 1.00 0.00 C ATOM 849 C LYS A 53 6.058 -0.887 0.832 1.00 0.00 C ATOM 850 O LYS A 53 6.562 -0.172 -0.035 1.00 0.00 O ATOM 851 CB LYS A 53 6.730 -3.299 0.786 1.00 0.00 C ATOM 852 CG LYS A 53 7.589 -3.382 -0.465 1.00 0.00 C ATOM 853 CD LYS A 53 7.123 -4.495 -1.390 1.00 0.00 C ATOM 854 CE LYS A 53 6.871 -3.981 -2.798 1.00 0.00 C ATOM 855 NZ LYS A 53 5.711 -4.659 -3.439 1.00 0.00 N ATOM 0 H LYS A 53 5.947 -2.989 3.118 1.00 0.00 H new ATOM 0 HA LYS A 53 7.920 -1.694 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.001 -4.113 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.686 -3.448 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.555 -2.430 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.628 -3.553 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.874 -5.284 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.209 -4.939 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.690 -2.907 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.763 -4.136 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.573 -4.280 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.894 -5.681 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.855 -4.490 -2.874 1.00 0.00 H new ATOM 869 N LEU A 54 4.802 -0.759 1.250 1.00 0.00 N ATOM 870 CA LEU A 54 3.909 0.264 0.729 1.00 0.00 C ATOM 871 C LEU A 54 4.409 1.648 1.121 1.00 0.00 C ATOM 872 O LEU A 54 4.179 2.631 0.416 1.00 0.00 O ATOM 873 CB LEU A 54 2.501 0.056 1.289 1.00 0.00 C ATOM 874 CG LEU A 54 1.535 -0.704 0.380 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.414 -2.156 0.810 1.00 0.00 C ATOM 876 CD2 LEU A 54 0.180 -0.017 0.356 1.00 0.00 C ATOM 0 H LEU A 54 4.378 -1.360 1.957 1.00 0.00 H new ATOM 0 HA LEU A 54 3.885 0.187 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.581 -0.481 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.070 1.032 1.512 1.00 0.00 H new ATOM 0 HG LEU A 54 1.935 -0.696 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.721 -2.675 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.392 -2.634 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.041 -2.203 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.497 -0.570 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.231 0.012 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.294 1.000 -0.019 1.00 0.00 H new ATOM 888 N GLN A 55 5.083 1.713 2.267 1.00 0.00 N ATOM 889 CA GLN A 55 5.602 2.972 2.786 1.00 0.00 C ATOM 890 C GLN A 55 6.712 3.522 1.901 1.00 0.00 C ATOM 891 O GLN A 55 7.057 2.933 0.877 1.00 0.00 O ATOM 892 CB GLN A 55 6.127 2.785 4.209 1.00 0.00 C ATOM 893 CG GLN A 55 5.035 2.779 5.265 1.00 0.00 C ATOM 894 CD GLN A 55 5.506 2.203 6.586 1.00 0.00 C ATOM 895 OE1 GLN A 55 4.861 1.325 7.160 1.00 0.00 O ATOM 896 NE2 GLN A 55 6.638 2.695 7.076 1.00 0.00 N ATOM 0 H GLN A 55 5.282 0.903 2.855 1.00 0.00 H new ATOM 0 HA GLN A 55 4.781 3.689 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.678 1.846 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.834 3.583 4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.681 3.798 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.186 2.199 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.141 3.422 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.005 2.346 7.961 1.00 0.00 H new