USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 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 1 LEU N :NH3+ -155:sc= -0.0296 (180deg=-0.259) USER MOD Single : A 8 ASN : amide:sc= -0.0787 K(o=-0.079,f=-0.75) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 24:sc= -0.178 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -67:sc= 1.09 USER MOD Single : A 31 SER OG : rot -73:sc= 0.0285 USER MOD Single : A 32 SER OG : rot -169:sc= -0.901 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.459 -0.743 -15.947 1.00 0.00 N ATOM 2 CA LEU A 1 2.544 -1.535 -15.078 1.00 0.00 C ATOM 3 C LEU A 1 2.991 -1.411 -13.619 1.00 0.00 C ATOM 4 O LEU A 1 3.796 -2.187 -13.141 1.00 0.00 O ATOM 5 CB LEU A 1 2.587 -3.005 -15.500 1.00 0.00 C ATOM 6 CG LEU A 1 1.823 -3.182 -16.814 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.496 -4.269 -17.654 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.379 -3.592 -16.514 1.00 0.00 C ATOM 0 H1 LEU A 1 2.961 -0.470 -16.818 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.765 0.112 -15.440 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.291 -1.318 -16.190 1.00 0.00 H new ATOM 0 HA LEU A 1 1.527 -1.156 -15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.621 -3.329 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.146 -3.630 -14.724 1.00 0.00 H new ATOM 0 HG LEU A 1 1.827 -2.242 -17.365 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.952 -4.395 -18.590 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.524 -3.978 -17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.492 -5.209 -17.103 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.165 -3.718 -17.450 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.375 -4.532 -15.962 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.102 -2.818 -15.916 1.00 0.00 H new ATOM 22 N LEU A 2 2.471 -0.439 -12.912 1.00 0.00 N ATOM 23 CA LEU A 2 2.860 -0.257 -11.482 1.00 0.00 C ATOM 24 C LEU A 2 1.604 -0.258 -10.608 1.00 0.00 C ATOM 25 O LEU A 2 0.839 0.688 -10.607 1.00 0.00 O ATOM 26 CB LEU A 2 3.595 1.075 -11.320 1.00 0.00 C ATOM 27 CG LEU A 2 5.101 0.845 -11.442 1.00 0.00 C ATOM 28 CD1 LEU A 2 5.823 2.193 -11.472 1.00 0.00 C ATOM 29 CD2 LEU A 2 5.591 0.033 -10.241 1.00 0.00 C ATOM 0 H LEU A 2 1.793 0.237 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 2 3.515 -1.073 -11.176 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.262 1.781 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.361 1.516 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 2 5.311 0.299 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.897 2.029 -11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.474 2.774 -12.326 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.613 2.739 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.665 -0.132 -10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.380 0.580 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.077 -0.928 -10.218 1.00 0.00 H new ATOM 41 N ALA A 3 1.390 -1.315 -9.868 1.00 0.00 N ATOM 42 CA ALA A 3 0.185 -1.390 -8.990 1.00 0.00 C ATOM 43 C ALA A 3 0.321 -2.586 -8.045 1.00 0.00 C ATOM 44 O ALA A 3 -0.633 -3.295 -7.784 1.00 0.00 O ATOM 45 CB ALA A 3 -1.065 -1.555 -9.857 1.00 0.00 C ATOM 0 H ALA A 3 2.000 -2.132 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 3 0.099 -0.475 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.946 -1.610 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.157 -0.702 -10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.984 -2.471 -10.442 1.00 0.00 H new ATOM 51 N CYS A 4 1.503 -2.811 -7.530 1.00 0.00 N ATOM 52 CA CYS A 4 1.722 -3.954 -6.599 1.00 0.00 C ATOM 53 C CYS A 4 3.173 -3.925 -6.116 1.00 0.00 C ATOM 54 O CYS A 4 4.072 -4.396 -6.788 1.00 0.00 O ATOM 55 CB CYS A 4 1.442 -5.274 -7.331 1.00 0.00 C ATOM 56 SG CYS A 4 1.609 -6.677 -6.192 1.00 0.00 S ATOM 0 H CYS A 4 2.331 -2.246 -7.718 1.00 0.00 H new ATOM 0 HA CYS A 4 1.049 -3.874 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.437 -5.257 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.135 -5.389 -8.164 1.00 0.00 H new ATOM 61 N LEU A 5 3.402 -3.368 -4.958 1.00 0.00 N ATOM 62 CA LEU A 5 4.791 -3.291 -4.415 1.00 0.00 C ATOM 63 C LEU A 5 5.269 -4.690 -4.035 1.00 0.00 C ATOM 64 O LEU A 5 6.439 -5.007 -4.141 1.00 0.00 O ATOM 65 CB LEU A 5 4.811 -2.394 -3.175 1.00 0.00 C ATOM 66 CG LEU A 5 4.174 -1.043 -3.504 1.00 0.00 C ATOM 67 CD1 LEU A 5 4.072 -0.203 -2.230 1.00 0.00 C ATOM 68 CD2 LEU A 5 5.041 -0.307 -4.530 1.00 0.00 C ATOM 0 H LEU A 5 2.683 -2.960 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 5 5.451 -2.873 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.269 -2.873 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.837 -2.250 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 5 3.177 -1.202 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.618 0.760 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.457 -0.726 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.069 -0.044 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.588 0.656 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.037 -0.148 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.116 -0.904 -5.439 1.00 0.00 H new ATOM 80 N PHE A 6 4.370 -5.526 -3.588 1.00 0.00 N ATOM 81 CA PHE A 6 4.762 -6.912 -3.191 1.00 0.00 C ATOM 82 C PHE A 6 3.780 -7.921 -3.796 1.00 0.00 C ATOM 83 O PHE A 6 4.068 -8.555 -4.794 1.00 0.00 O ATOM 84 CB PHE A 6 4.752 -7.027 -1.664 1.00 0.00 C ATOM 85 CG PHE A 6 5.901 -6.231 -1.092 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.740 -4.867 -0.820 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.127 -6.857 -0.834 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.805 -4.130 -0.289 1.00 0.00 C ATOM 89 CE2 PHE A 6 8.191 -6.119 -0.303 1.00 0.00 C ATOM 90 CZ PHE A 6 8.031 -4.755 -0.031 1.00 0.00 C ATOM 0 H PHE A 6 3.379 -5.309 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 6 5.764 -7.126 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.806 -6.658 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.836 -8.072 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.795 -4.384 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.251 -7.909 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.681 -3.078 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.136 -6.602 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.853 -4.185 0.378 1.00 0.00 H new ATOM 100 N GLY A 7 2.627 -8.073 -3.199 1.00 0.00 N ATOM 101 CA GLY A 7 1.621 -9.039 -3.730 1.00 0.00 C ATOM 102 C GLY A 7 1.919 -10.443 -3.196 1.00 0.00 C ATOM 103 O GLY A 7 1.605 -11.433 -3.829 1.00 0.00 O ATOM 0 H GLY A 7 2.338 -7.567 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.618 -8.733 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.645 -9.042 -4.820 1.00 0.00 H new ATOM 107 N ASN A 8 2.518 -10.534 -2.034 1.00 0.00 N ATOM 108 CA ASN A 8 2.833 -11.874 -1.454 1.00 0.00 C ATOM 109 C ASN A 8 1.728 -12.301 -0.475 1.00 0.00 C ATOM 110 O ASN A 8 1.901 -13.230 0.291 1.00 0.00 O ATOM 111 CB ASN A 8 4.167 -11.804 -0.709 1.00 0.00 C ATOM 112 CG ASN A 8 5.308 -11.661 -1.718 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.971 -10.644 -1.764 1.00 0.00 O ATOM 114 ND2 ASN A 8 5.567 -12.645 -2.535 1.00 0.00 N ATOM 0 H ASN A 8 2.802 -9.738 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 8 2.896 -12.604 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.168 -10.958 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.308 -12.703 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.326 -12.560 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.011 -13.499 -2.497 1.00 0.00 H new ATOM 121 N GLY A 9 0.595 -11.636 -0.495 1.00 0.00 N ATOM 122 CA GLY A 9 -0.516 -12.008 0.429 1.00 0.00 C ATOM 123 C GLY A 9 -0.150 -11.676 1.885 1.00 0.00 C ATOM 124 O GLY A 9 -0.857 -12.057 2.797 1.00 0.00 O ATOM 0 H GLY A 9 0.396 -10.851 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.424 -11.474 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.730 -13.073 0.337 1.00 0.00 H new ATOM 128 N ARG A 10 0.935 -10.968 2.113 1.00 0.00 N ATOM 129 CA ARG A 10 1.328 -10.615 3.510 1.00 0.00 C ATOM 130 C ARG A 10 1.592 -9.112 3.585 1.00 0.00 C ATOM 131 O ARG A 10 2.269 -8.551 2.744 1.00 0.00 O ATOM 132 CB ARG A 10 2.599 -11.374 3.894 1.00 0.00 C ATOM 133 CG ARG A 10 3.671 -11.116 2.837 1.00 0.00 C ATOM 134 CD ARG A 10 4.901 -11.977 3.128 1.00 0.00 C ATOM 135 NE ARG A 10 5.846 -11.899 1.973 1.00 0.00 N ATOM 136 CZ ARG A 10 6.570 -10.820 1.748 1.00 0.00 C ATOM 137 NH1 ARG A 10 6.493 -9.765 2.528 1.00 0.00 N ATOM 138 NH2 ARG A 10 7.381 -10.798 0.726 1.00 0.00 N ATOM 0 H ARG A 10 1.563 -10.621 1.388 1.00 0.00 H new ATOM 0 HA ARG A 10 0.527 -10.887 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.950 -11.049 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.392 -12.442 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.281 -11.346 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.946 -10.061 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.392 -11.633 4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.602 -13.011 3.299 1.00 0.00 H new ATOM 0 HE ARG A 10 5.933 -12.698 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.862 -9.768 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.064 -8.943 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.450 -11.609 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.946 -9.969 0.541 1.00 0.00 H new ATOM 152 N CYS A 11 1.055 -8.457 4.578 1.00 0.00 N ATOM 153 CA CYS A 11 1.264 -6.980 4.703 1.00 0.00 C ATOM 154 C CYS A 11 1.216 -6.537 6.162 1.00 0.00 C ATOM 155 O CYS A 11 0.767 -7.254 7.035 1.00 0.00 O ATOM 156 CB CYS A 11 0.164 -6.232 3.945 1.00 0.00 C ATOM 157 SG CYS A 11 -1.468 -6.866 4.433 1.00 0.00 S ATOM 0 H CYS A 11 0.481 -8.877 5.309 1.00 0.00 H new ATOM 0 HA CYS A 11 2.245 -6.751 4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.227 -5.165 4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.304 -6.353 2.871 1.00 0.00 H new ATOM 162 N SER A 12 1.646 -5.328 6.409 1.00 0.00 N ATOM 163 CA SER A 12 1.605 -4.769 7.790 1.00 0.00 C ATOM 164 C SER A 12 0.481 -3.730 7.863 1.00 0.00 C ATOM 165 O SER A 12 -0.112 -3.505 8.900 1.00 0.00 O ATOM 166 CB SER A 12 2.943 -4.108 8.121 1.00 0.00 C ATOM 167 OG SER A 12 2.950 -3.721 9.489 1.00 0.00 O ATOM 0 H SER A 12 2.028 -4.698 5.704 1.00 0.00 H new ATOM 0 HA SER A 12 1.421 -5.567 8.509 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.762 -4.799 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.099 -3.237 7.484 1.00 0.00 H new ATOM 0 HG SER A 12 3.807 -3.298 9.705 1.00 0.00 H new ATOM 173 N SER A 13 0.183 -3.110 6.752 1.00 0.00 N ATOM 174 CA SER A 13 -0.902 -2.092 6.702 1.00 0.00 C ATOM 175 C SER A 13 -1.569 -2.169 5.325 1.00 0.00 C ATOM 176 O SER A 13 -1.214 -2.999 4.508 1.00 0.00 O ATOM 177 CB SER A 13 -0.310 -0.698 6.909 1.00 0.00 C ATOM 178 OG SER A 13 0.618 -0.422 5.869 1.00 0.00 O ATOM 0 H SER A 13 0.656 -3.271 5.862 1.00 0.00 H new ATOM 0 HA SER A 13 -1.634 -2.283 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.103 0.050 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.185 -0.641 7.878 1.00 0.00 H new ATOM 0 HG SER A 13 0.998 0.472 5.998 1.00 0.00 H new ATOM 184 N ASN A 14 -2.527 -1.320 5.059 1.00 0.00 N ATOM 185 CA ASN A 14 -3.213 -1.354 3.731 1.00 0.00 C ATOM 186 C ASN A 14 -2.235 -0.930 2.630 1.00 0.00 C ATOM 187 O ASN A 14 -2.273 -1.441 1.525 1.00 0.00 O ATOM 188 CB ASN A 14 -4.408 -0.400 3.749 1.00 0.00 C ATOM 189 CG ASN A 14 -5.655 -1.157 4.213 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.606 -1.903 5.172 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.778 -0.998 3.568 1.00 0.00 N ATOM 0 H ASN A 14 -2.865 -0.605 5.703 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.560 -2.368 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.208 0.438 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.570 0.016 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.614 -1.499 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.820 -0.372 2.763 1.00 0.00 H new ATOM 198 N ARG A 15 -1.359 -0.002 2.924 1.00 0.00 N ATOM 199 CA ARG A 15 -0.377 0.463 1.896 1.00 0.00 C ATOM 200 C ARG A 15 0.629 -0.647 1.561 1.00 0.00 C ATOM 201 O ARG A 15 1.378 -0.534 0.608 1.00 0.00 O ATOM 202 CB ARG A 15 0.373 1.687 2.424 1.00 0.00 C ATOM 203 CG ARG A 15 1.056 2.411 1.261 1.00 0.00 C ATOM 204 CD ARG A 15 2.390 2.995 1.732 1.00 0.00 C ATOM 205 NE ARG A 15 2.849 4.036 0.760 1.00 0.00 N ATOM 206 CZ ARG A 15 3.783 4.910 1.078 1.00 0.00 C ATOM 207 NH1 ARG A 15 4.351 4.910 2.263 1.00 0.00 N ATOM 208 NH2 ARG A 15 4.152 5.796 0.195 1.00 0.00 N ATOM 0 H ARG A 15 -1.281 0.454 3.833 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.922 0.723 0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.319 2.361 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.115 1.381 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.222 1.719 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.412 3.206 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.278 3.433 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.136 2.205 1.815 1.00 0.00 H new ATOM 0 HE ARG A 15 2.430 4.070 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.071 4.222 2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.071 5.598 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.719 5.807 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.874 6.478 0.428 1.00 0.00 H new ATOM 222 N ASP A 16 0.654 -1.714 2.322 1.00 0.00 N ATOM 223 CA ASP A 16 1.610 -2.821 2.029 1.00 0.00 C ATOM 224 C ASP A 16 0.964 -3.843 1.083 1.00 0.00 C ATOM 225 O ASP A 16 1.438 -4.958 0.961 1.00 0.00 O ATOM 226 CB ASP A 16 1.987 -3.514 3.336 1.00 0.00 C ATOM 227 CG ASP A 16 3.216 -2.833 3.940 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.205 -2.707 3.237 1.00 0.00 O ATOM 229 OD2 ASP A 16 3.147 -2.449 5.096 1.00 0.00 O ATOM 0 H ASP A 16 0.053 -1.864 3.132 1.00 0.00 H new ATOM 0 HA ASP A 16 2.500 -2.409 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.153 -3.470 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.195 -4.568 3.154 1.00 0.00 H new ATOM 234 N CYS A 17 -0.114 -3.485 0.416 1.00 0.00 N ATOM 235 CA CYS A 17 -0.776 -4.457 -0.508 1.00 0.00 C ATOM 236 C CYS A 17 -0.697 -3.955 -1.953 1.00 0.00 C ATOM 237 O CYS A 17 -0.010 -2.993 -2.246 1.00 0.00 O ATOM 238 CB CYS A 17 -2.236 -4.628 -0.096 1.00 0.00 C ATOM 239 SG CYS A 17 -2.303 -5.478 1.496 1.00 0.00 S ATOM 0 H CYS A 17 -0.558 -2.568 0.474 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.263 -5.417 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.723 -3.656 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.776 -5.200 -0.851 1.00 0.00 H new ATOM 244 N CYS A 18 -1.382 -4.611 -2.862 1.00 0.00 N ATOM 245 CA CYS A 18 -1.333 -4.186 -4.296 1.00 0.00 C ATOM 246 C CYS A 18 -2.704 -3.657 -4.732 1.00 0.00 C ATOM 247 O CYS A 18 -3.653 -3.658 -3.970 1.00 0.00 O ATOM 248 CB CYS A 18 -0.948 -5.384 -5.173 1.00 0.00 C ATOM 249 SG CYS A 18 0.570 -6.149 -4.540 1.00 0.00 S ATOM 0 H CYS A 18 -1.972 -5.421 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.591 -3.396 -4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.757 -6.114 -5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.800 -5.059 -6.203 1.00 0.00 H new ATOM 254 N GLU A 19 -2.807 -3.204 -5.957 1.00 0.00 N ATOM 255 CA GLU A 19 -4.106 -2.667 -6.463 1.00 0.00 C ATOM 256 C GLU A 19 -5.166 -3.771 -6.445 1.00 0.00 C ATOM 257 O GLU A 19 -6.269 -3.573 -5.972 1.00 0.00 O ATOM 258 CB GLU A 19 -3.924 -2.158 -7.895 1.00 0.00 C ATOM 259 CG GLU A 19 -5.201 -1.454 -8.357 1.00 0.00 C ATOM 260 CD GLU A 19 -4.837 -0.246 -9.223 1.00 0.00 C ATOM 261 OE1 GLU A 19 -3.936 0.483 -8.840 1.00 0.00 O ATOM 262 OE2 GLU A 19 -5.465 -0.070 -10.254 1.00 0.00 O ATOM 0 H GLU A 19 -2.042 -3.183 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.430 -1.847 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.080 -1.470 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.694 -2.990 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.825 -2.145 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.784 -1.133 -7.494 1.00 0.00 H new ATOM 269 N LEU A 20 -4.839 -4.935 -6.954 1.00 0.00 N ATOM 270 CA LEU A 20 -5.825 -6.064 -6.965 1.00 0.00 C ATOM 271 C LEU A 20 -6.327 -6.329 -5.538 1.00 0.00 C ATOM 272 O LEU A 20 -7.420 -6.824 -5.335 1.00 0.00 O ATOM 273 CB LEU A 20 -5.147 -7.323 -7.508 1.00 0.00 C ATOM 274 CG LEU A 20 -4.662 -7.061 -8.933 1.00 0.00 C ATOM 275 CD1 LEU A 20 -3.441 -7.934 -9.224 1.00 0.00 C ATOM 276 CD2 LEU A 20 -5.778 -7.403 -9.922 1.00 0.00 C ATOM 0 H LEU A 20 -3.930 -5.153 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.670 -5.799 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.307 -7.601 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.846 -8.160 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.392 -6.010 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.094 -7.748 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.645 -7.693 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.712 -8.985 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.433 -7.216 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.047 -8.454 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.650 -6.783 -9.715 1.00 0.00 H new ATOM 288 N THR A 21 -5.534 -5.988 -4.556 1.00 0.00 N ATOM 289 CA THR A 21 -5.942 -6.195 -3.138 1.00 0.00 C ATOM 290 C THR A 21 -5.688 -4.893 -2.370 1.00 0.00 C ATOM 291 O THR A 21 -4.621 -4.707 -1.829 1.00 0.00 O ATOM 292 CB THR A 21 -5.097 -7.314 -2.526 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.727 -6.925 -2.534 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.273 -8.595 -3.343 1.00 0.00 C ATOM 0 H THR A 21 -4.612 -5.571 -4.679 1.00 0.00 H new ATOM 0 HA THR A 21 -6.996 -6.468 -3.084 1.00 0.00 H new ATOM 0 HB THR A 21 -5.418 -7.496 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.665 -5.947 -2.562 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.670 -9.391 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.323 -8.889 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.952 -8.419 -4.370 1.00 0.00 H new ATOM 302 N PRO A 22 -6.664 -4.013 -2.348 1.00 0.00 N ATOM 303 CA PRO A 22 -6.554 -2.698 -1.650 1.00 0.00 C ATOM 304 C PRO A 22 -6.814 -2.825 -0.144 1.00 0.00 C ATOM 305 O PRO A 22 -6.939 -1.825 0.540 1.00 0.00 O ATOM 306 CB PRO A 22 -7.625 -1.849 -2.318 1.00 0.00 C ATOM 307 CG PRO A 22 -8.661 -2.799 -2.888 1.00 0.00 C ATOM 308 CD PRO A 22 -8.010 -4.179 -3.003 1.00 0.00 C ATOM 0 HA PRO A 22 -5.555 -2.270 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.081 -1.169 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.192 -1.234 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.538 -2.842 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.001 -2.454 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.605 -4.942 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.910 -4.486 -4.044 1.00 0.00 H new ATOM 316 N VAL A 23 -6.896 -4.029 0.389 1.00 0.00 N ATOM 317 CA VAL A 23 -7.147 -4.160 1.858 1.00 0.00 C ATOM 318 C VAL A 23 -6.069 -5.031 2.518 1.00 0.00 C ATOM 319 O VAL A 23 -5.585 -5.990 1.948 1.00 0.00 O ATOM 320 CB VAL A 23 -8.543 -4.756 2.090 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.637 -6.168 1.515 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.841 -4.792 3.593 1.00 0.00 C ATOM 0 H VAL A 23 -6.801 -4.907 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.102 -3.171 2.315 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.275 -4.128 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.636 -6.567 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.444 -6.138 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.899 -6.808 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.832 -5.215 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.096 -5.407 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.808 -3.779 3.995 1.00 0.00 H new ATOM 332 N CYS A 24 -5.703 -4.693 3.729 1.00 0.00 N ATOM 333 CA CYS A 24 -4.672 -5.478 4.467 1.00 0.00 C ATOM 334 C CYS A 24 -5.294 -5.956 5.782 1.00 0.00 C ATOM 335 O CYS A 24 -5.323 -5.236 6.763 1.00 0.00 O ATOM 336 CB CYS A 24 -3.453 -4.583 4.745 1.00 0.00 C ATOM 337 SG CYS A 24 -2.198 -5.478 5.707 1.00 0.00 S ATOM 0 H CYS A 24 -6.081 -3.896 4.242 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.344 -6.336 3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.022 -4.245 3.802 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.767 -3.692 5.289 1.00 0.00 H new ATOM 342 N LYS A 25 -5.797 -7.161 5.801 1.00 0.00 N ATOM 343 CA LYS A 25 -6.433 -7.694 7.043 1.00 0.00 C ATOM 344 C LYS A 25 -5.815 -9.045 7.401 1.00 0.00 C ATOM 345 O LYS A 25 -5.380 -9.783 6.540 1.00 0.00 O ATOM 346 CB LYS A 25 -7.935 -7.868 6.811 1.00 0.00 C ATOM 347 CG LYS A 25 -8.686 -7.627 8.122 1.00 0.00 C ATOM 348 CD LYS A 25 -8.883 -6.124 8.328 1.00 0.00 C ATOM 349 CE LYS A 25 -9.834 -5.582 7.260 1.00 0.00 C ATOM 350 NZ LYS A 25 -10.594 -4.425 7.812 1.00 0.00 N ATOM 0 H LYS A 25 -5.795 -7.802 5.008 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.267 -6.993 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.279 -7.169 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.142 -8.872 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.652 -8.131 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.127 -8.049 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.288 -5.933 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.924 -5.610 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.271 -5.274 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.523 -6.364 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.241 -4.056 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.143 -4.733 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.930 -3.677 8.096 1.00 0.00 H new ATOM 364 N ARG A 26 -5.772 -9.367 8.671 1.00 0.00 N ATOM 365 CA ARG A 26 -5.181 -10.668 9.112 1.00 0.00 C ATOM 366 C ARG A 26 -3.716 -10.742 8.674 1.00 0.00 C ATOM 367 O ARG A 26 -3.199 -11.804 8.384 1.00 0.00 O ATOM 368 CB ARG A 26 -5.963 -11.832 8.498 1.00 0.00 C ATOM 369 CG ARG A 26 -7.324 -11.953 9.186 1.00 0.00 C ATOM 370 CD ARG A 26 -7.817 -13.400 9.102 1.00 0.00 C ATOM 371 NE ARG A 26 -7.481 -14.115 10.372 1.00 0.00 N ATOM 372 CZ ARG A 26 -7.826 -15.373 10.565 1.00 0.00 C ATOM 373 NH1 ARG A 26 -8.477 -16.056 9.651 1.00 0.00 N ATOM 374 NH2 ARG A 26 -7.512 -15.955 11.690 1.00 0.00 N ATOM 0 H ARG A 26 -6.124 -8.779 9.426 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.237 -10.736 10.198 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.098 -11.669 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.403 -12.760 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.244 -11.646 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.043 -11.285 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.894 -13.420 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.354 -13.905 8.254 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.974 -13.619 11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.728 -15.614 8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.732 -17.028 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.005 -15.437 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.773 -16.928 11.851 1.00 0.00 H new ATOM 388 N GLY A 27 -3.048 -9.618 8.630 1.00 0.00 N ATOM 389 CA GLY A 27 -1.614 -9.604 8.217 1.00 0.00 C ATOM 390 C GLY A 27 -1.477 -10.125 6.785 1.00 0.00 C ATOM 391 O GLY A 27 -0.456 -10.673 6.413 1.00 0.00 O ATOM 0 H GLY A 27 -3.437 -8.705 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.218 -8.591 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.026 -10.222 8.895 1.00 0.00 H new ATOM 395 N SER A 28 -2.497 -9.959 5.980 1.00 0.00 N ATOM 396 CA SER A 28 -2.430 -10.444 4.573 1.00 0.00 C ATOM 397 C SER A 28 -3.164 -9.465 3.660 1.00 0.00 C ATOM 398 O SER A 28 -3.829 -8.559 4.120 1.00 0.00 O ATOM 399 CB SER A 28 -3.081 -11.824 4.474 1.00 0.00 C ATOM 400 OG SER A 28 -2.166 -12.809 4.940 1.00 0.00 O ATOM 0 H SER A 28 -3.374 -9.507 6.240 1.00 0.00 H new ATOM 0 HA SER A 28 -1.387 -10.514 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.995 -11.851 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.364 -12.033 3.442 1.00 0.00 H new ATOM 0 HG SER A 28 -1.403 -12.862 4.328 1.00 0.00 H new ATOM 406 N CYS A 29 -3.042 -9.634 2.367 1.00 0.00 N ATOM 407 CA CYS A 29 -3.729 -8.703 1.422 1.00 0.00 C ATOM 408 C CYS A 29 -4.878 -9.417 0.719 1.00 0.00 C ATOM 409 O CYS A 29 -4.757 -10.563 0.326 1.00 0.00 O ATOM 410 CB CYS A 29 -2.743 -8.232 0.353 1.00 0.00 C ATOM 411 SG CYS A 29 -1.431 -7.259 1.117 1.00 0.00 S ATOM 0 H CYS A 29 -2.497 -10.375 1.926 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.109 -7.856 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.316 -9.091 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.263 -7.634 -0.396 1.00 0.00 H new ATOM 416 N VAL A 30 -5.980 -8.738 0.528 1.00 0.00 N ATOM 417 CA VAL A 30 -7.122 -9.361 -0.184 1.00 0.00 C ATOM 418 C VAL A 30 -7.906 -8.262 -0.903 1.00 0.00 C ATOM 419 O VAL A 30 -7.570 -7.085 -0.828 1.00 0.00 O ATOM 420 CB VAL A 30 -8.021 -10.112 0.809 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.194 -11.168 1.544 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.614 -9.138 1.827 1.00 0.00 C ATOM 0 H VAL A 30 -6.133 -7.778 0.837 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.757 -10.083 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.832 -10.591 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.830 -11.702 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.780 -11.873 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.381 -10.682 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.249 -9.683 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.808 -8.649 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.208 -8.386 1.308 1.00 0.00 H new ATOM 432 N SER A 31 -8.937 -8.643 -1.603 1.00 0.00 N ATOM 433 CA SER A 31 -9.753 -7.647 -2.343 1.00 0.00 C ATOM 434 C SER A 31 -10.895 -7.159 -1.455 1.00 0.00 C ATOM 435 O SER A 31 -11.659 -7.940 -0.922 1.00 0.00 O ATOM 436 CB SER A 31 -10.323 -8.288 -3.609 1.00 0.00 C ATOM 437 OG SER A 31 -9.353 -9.163 -4.169 1.00 0.00 O ATOM 0 H SER A 31 -9.250 -9.610 -1.694 1.00 0.00 H new ATOM 0 HA SER A 31 -9.125 -6.800 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.234 -8.839 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.594 -7.517 -4.330 1.00 0.00 H new ATOM 0 HG SER A 31 -8.636 -8.636 -4.580 1.00 0.00 H new ATOM 443 N SER A 32 -11.013 -5.866 -1.297 1.00 0.00 N ATOM 444 CA SER A 32 -12.102 -5.303 -0.444 1.00 0.00 C ATOM 445 C SER A 32 -13.464 -5.703 -1.020 1.00 0.00 C ATOM 446 O SER A 32 -14.303 -6.247 -0.327 1.00 0.00 O ATOM 447 CB SER A 32 -11.988 -3.778 -0.416 1.00 0.00 C ATOM 448 OG SER A 32 -11.672 -3.307 -1.718 1.00 0.00 O ATOM 0 H SER A 32 -10.399 -5.173 -1.724 1.00 0.00 H new ATOM 0 HA SER A 32 -12.009 -5.694 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.925 -3.338 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.217 -3.472 0.291 1.00 0.00 H new ATOM 0 HG SER A 32 -11.428 -2.359 -1.673 1.00 0.00 H new ATOM 454 N GLY A 33 -13.685 -5.439 -2.283 1.00 0.00 N ATOM 455 CA GLY A 33 -14.989 -5.802 -2.912 1.00 0.00 C ATOM 456 C GLY A 33 -15.799 -4.528 -3.199 1.00 0.00 C ATOM 457 O GLY A 33 -15.870 -4.095 -4.332 1.00 0.00 O ATOM 0 H GLY A 33 -13.016 -4.987 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.817 -6.351 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.552 -6.461 -2.251 1.00 0.00 H new ATOM 461 N PRO A 34 -16.390 -3.957 -2.167 1.00 0.00 N ATOM 462 CA PRO A 34 -17.216 -2.713 -2.274 1.00 0.00 C ATOM 463 C PRO A 34 -16.328 -1.467 -2.191 1.00 0.00 C ATOM 464 O PRO A 34 -16.409 -0.696 -1.253 1.00 0.00 O ATOM 465 CB PRO A 34 -18.145 -2.805 -1.072 1.00 0.00 C ATOM 466 CG PRO A 34 -17.462 -3.687 -0.039 1.00 0.00 C ATOM 467 CD PRO A 34 -16.335 -4.448 -0.742 1.00 0.00 C ATOM 0 HA PRO A 34 -17.754 -2.632 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.342 -1.815 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.107 -3.227 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -17.064 -3.082 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.176 -4.383 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -15.368 -4.238 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.487 -5.526 -0.686 1.00 0.00 H new ATOM 475 N GLY A 35 -15.482 -1.268 -3.170 1.00 0.00 N ATOM 476 CA GLY A 35 -14.584 -0.075 -3.161 1.00 0.00 C ATOM 477 C GLY A 35 -15.062 0.927 -4.214 1.00 0.00 C ATOM 478 O GLY A 35 -14.950 2.126 -4.038 1.00 0.00 O ATOM 0 H GLY A 35 -15.375 -1.883 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.586 0.388 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.558 -0.377 -3.369 1.00 0.00 H new ATOM 482 N LEU A 36 -15.594 0.440 -5.307 1.00 0.00 N ATOM 483 CA LEU A 36 -16.084 1.355 -6.380 1.00 0.00 C ATOM 484 C LEU A 36 -17.490 0.922 -6.807 1.00 0.00 C ATOM 485 O LEU A 36 -17.783 -0.255 -6.902 1.00 0.00 O ATOM 486 CB LEU A 36 -15.129 1.284 -7.582 1.00 0.00 C ATOM 487 CG LEU A 36 -14.446 2.639 -7.787 1.00 0.00 C ATOM 488 CD1 LEU A 36 -13.307 2.490 -8.797 1.00 0.00 C ATOM 489 CD2 LEU A 36 -15.467 3.649 -8.317 1.00 0.00 C ATOM 0 H LEU A 36 -15.710 -0.555 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.119 2.379 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.379 0.511 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.681 1.006 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.045 2.990 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.821 3.455 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.579 1.770 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.708 2.138 -9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.982 4.614 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.868 3.297 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.279 3.757 -7.598 1.00 0.00 H new ATOM 501 N VAL A 37 -18.359 1.868 -7.065 1.00 0.00 N ATOM 502 CA VAL A 37 -19.748 1.521 -7.489 1.00 0.00 C ATOM 503 C VAL A 37 -19.702 0.788 -8.831 1.00 0.00 C ATOM 504 O VAL A 37 -18.643 0.480 -9.343 1.00 0.00 O ATOM 505 CB VAL A 37 -20.572 2.802 -7.634 1.00 0.00 C ATOM 506 CG1 VAL A 37 -20.750 3.455 -6.263 1.00 0.00 C ATOM 507 CG2 VAL A 37 -19.846 3.773 -8.569 1.00 0.00 C ATOM 0 H VAL A 37 -18.165 2.867 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 37 -20.208 0.877 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 37 -21.550 2.558 -8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -21.337 4.367 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -21.267 2.765 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -19.773 3.698 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -20.433 4.686 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -18.868 4.016 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -19.720 3.310 -9.548 1.00 0.00 H new ATOM 517 N GLY A 38 -20.847 0.509 -9.402 1.00 0.00 N ATOM 518 CA GLY A 38 -20.881 -0.204 -10.714 1.00 0.00 C ATOM 519 C GLY A 38 -22.316 -0.636 -11.023 1.00 0.00 C ATOM 520 O GLY A 38 -23.012 -1.160 -10.174 1.00 0.00 O ATOM 0 H GLY A 38 -21.761 0.745 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.508 0.448 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -20.226 -1.075 -10.684 1.00 0.00 H new ATOM 524 N GLY A 39 -22.761 -0.418 -12.234 1.00 0.00 N ATOM 525 CA GLY A 39 -24.151 -0.811 -12.610 1.00 0.00 C ATOM 526 C GLY A 39 -24.105 -1.981 -13.595 1.00 0.00 C ATOM 527 O GLY A 39 -23.492 -2.999 -13.333 1.00 0.00 O ATOM 0 H GLY A 39 -22.219 0.017 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -24.713 -1.094 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -24.670 0.036 -13.059 1.00 0.00 H new ATOM 531 N ILE A 40 -24.749 -1.841 -14.726 1.00 0.00 N ATOM 532 CA ILE A 40 -24.749 -2.939 -15.738 1.00 0.00 C ATOM 533 C ILE A 40 -23.623 -2.701 -16.750 1.00 0.00 C ATOM 534 O ILE A 40 -23.816 -2.816 -17.946 1.00 0.00 O ATOM 535 CB ILE A 40 -26.097 -2.962 -16.462 1.00 0.00 C ATOM 536 CG1 ILE A 40 -27.228 -3.056 -15.436 1.00 0.00 C ATOM 537 CG2 ILE A 40 -26.155 -4.172 -17.397 1.00 0.00 C ATOM 538 CD1 ILE A 40 -28.565 -2.756 -16.118 1.00 0.00 C ATOM 0 H ILE A 40 -25.277 -1.010 -14.992 1.00 0.00 H new ATOM 0 HA ILE A 40 -24.589 -3.895 -15.240 1.00 0.00 H new ATOM 0 HB ILE A 40 -26.210 -2.047 -17.044 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -27.249 -4.052 -14.993 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -27.056 -2.350 -14.624 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -27.115 -4.188 -17.912 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -25.351 -4.104 -18.130 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -26.040 -5.087 -16.816 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -29.370 -2.823 -15.386 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -28.541 -1.751 -16.540 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -28.738 -3.480 -16.915 1.00 0.00 H new ATOM 550 N LEU A 41 -22.449 -2.368 -16.275 1.00 0.00 N ATOM 551 CA LEU A 41 -21.306 -2.117 -17.199 1.00 0.00 C ATOM 552 C LEU A 41 -20.335 -3.298 -17.144 1.00 0.00 C ATOM 553 O LEU A 41 -19.133 -3.128 -17.232 1.00 0.00 O ATOM 554 CB LEU A 41 -20.582 -0.837 -16.776 1.00 0.00 C ATOM 555 CG LEU A 41 -21.570 0.330 -16.781 1.00 0.00 C ATOM 556 CD1 LEU A 41 -21.064 1.436 -15.854 1.00 0.00 C ATOM 557 CD2 LEU A 41 -21.698 0.880 -18.204 1.00 0.00 C ATOM 0 H LEU A 41 -22.234 -2.259 -15.284 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.679 -2.004 -18.217 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.153 -0.960 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.756 -0.631 -17.457 1.00 0.00 H new ATOM 0 HG LEU A 41 -22.543 -0.018 -16.433 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.770 2.267 -15.859 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.970 1.046 -14.840 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.091 1.785 -16.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -22.402 1.712 -18.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.724 1.226 -18.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -22.060 0.094 -18.867 1.00 0.00 H new ATOM 569 N GLY A 42 -20.848 -4.493 -16.999 1.00 0.00 N ATOM 570 CA GLY A 42 -19.963 -5.693 -16.938 1.00 0.00 C ATOM 571 C GLY A 42 -19.716 -6.075 -15.478 1.00 0.00 C ATOM 572 O GLY A 42 -20.287 -7.022 -14.971 1.00 0.00 O ATOM 0 H GLY A 42 -21.846 -4.689 -16.920 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -20.425 -6.525 -17.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -19.016 -5.484 -17.435 1.00 0.00 H new ATOM 576 N GLY A 43 -18.867 -5.344 -14.802 1.00 0.00 N ATOM 577 CA GLY A 43 -18.574 -5.656 -13.373 1.00 0.00 C ATOM 578 C GLY A 43 -17.273 -6.455 -13.281 1.00 0.00 C ATOM 579 O GLY A 43 -17.177 -7.561 -13.781 1.00 0.00 O ATOM 0 H GLY A 43 -18.363 -4.542 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -18.488 -4.734 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -19.395 -6.227 -12.939 1.00 0.00 H new ATOM 583 N ILE A 44 -16.271 -5.902 -12.645 1.00 0.00 N ATOM 584 CA ILE A 44 -14.970 -6.619 -12.514 1.00 0.00 C ATOM 585 C ILE A 44 -14.999 -7.490 -11.249 1.00 0.00 C ATOM 586 O ILE A 44 -14.161 -7.360 -10.376 1.00 0.00 O ATOM 587 CB ILE A 44 -13.831 -5.591 -12.436 1.00 0.00 C ATOM 588 CG1 ILE A 44 -12.485 -6.312 -12.293 1.00 0.00 C ATOM 589 CG2 ILE A 44 -14.046 -4.660 -11.237 1.00 0.00 C ATOM 590 CD1 ILE A 44 -11.373 -5.438 -12.877 1.00 0.00 C ATOM 0 H ILE A 44 -16.300 -4.980 -12.209 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.805 -7.261 -13.380 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.827 -5.000 -13.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.283 -6.522 -11.243 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.517 -7.271 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.234 -3.935 -11.189 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.995 -4.136 -11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.062 -5.247 -10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.416 -5.950 -12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.574 -5.250 -13.932 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.336 -4.490 -12.340 1.00 0.00 H new ATOM 602 N LEU A 45 -15.960 -8.372 -11.149 1.00 0.00 N ATOM 603 CA LEU A 45 -16.055 -9.253 -9.949 1.00 0.00 C ATOM 604 C LEU A 45 -17.095 -10.347 -10.199 1.00 0.00 C ATOM 605 O LEU A 45 -17.034 -11.360 -9.523 1.00 0.00 O ATOM 606 CB LEU A 45 -16.474 -8.417 -8.737 1.00 0.00 C ATOM 607 CG LEU A 45 -16.202 -9.204 -7.454 1.00 0.00 C ATOM 608 CD1 LEU A 45 -14.701 -9.195 -7.158 1.00 0.00 C ATOM 609 CD2 LEU A 45 -16.956 -8.556 -6.289 1.00 0.00 C ATOM 610 OXT LEU A 45 -17.935 -10.152 -11.063 1.00 0.00 O ATOM 0 H LEU A 45 -16.686 -8.520 -11.851 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.085 -9.713 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.923 -7.477 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.532 -8.165 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 45 -16.541 -10.232 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.507 -9.756 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.164 -9.656 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.361 -8.167 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.763 -9.116 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.617 -7.528 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.025 -8.562 -6.499 1.00 0.00 H new TER 622 LEU A 45