USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.489 (180deg=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.5!) USER MOD Single : A 22 ASN : amide:sc=-0.00103 X(o=-0.001,f=-0.086) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -0.227 (180deg=-1.11) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.0548 (180deg=-0.647) USER MOD Single : A 37 SER OG : rot -160:sc= -0.411 USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0194 (180deg=-0.292) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -2.46 (180deg=-4.94!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.96 K(o=-3,f=-6!) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.447 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.016 USER MOD Single : A 57 SER OG : rot 180:sc=-0.000494 USER MOD Single : A 60 SER OG : rot 107:sc= 0.928 USER MOD Single : A 67 SER OG : rot 180:sc= -0.875 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.223 (180deg=-1.26!) USER MOD Single : A 76 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.622 13.277 -0.976 1.00 0.00 N ATOM 27 CA VAL A 3 0.919 12.452 0.045 1.00 0.00 C ATOM 28 C VAL A 3 0.595 11.059 -0.508 1.00 0.00 C ATOM 29 O VAL A 3 0.187 10.191 0.237 1.00 0.00 O ATOM 30 CB VAL A 3 -0.398 13.168 0.440 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.170 14.681 0.460 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.533 12.849 -0.549 1.00 0.00 C ATOM 0 HA VAL A 3 1.566 12.334 0.914 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.690 12.811 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.096 15.185 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.606 14.922 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.142 15.015 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.441 13.368 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.248 13.179 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.715 11.774 -0.560 1.00 0.00 H new ATOM 42 N TYR A 4 0.710 10.819 -1.796 1.00 0.00 N ATOM 43 CA TYR A 4 0.320 9.458 -2.294 1.00 0.00 C ATOM 44 C TYR A 4 1.386 8.431 -1.894 1.00 0.00 C ATOM 45 O TYR A 4 1.079 7.350 -1.432 1.00 0.00 O ATOM 46 CB TYR A 4 0.110 9.471 -3.813 1.00 0.00 C ATOM 47 CG TYR A 4 -1.298 9.897 -4.160 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.369 9.042 -3.889 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.528 11.127 -4.791 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.669 9.411 -4.244 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.831 11.501 -5.140 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.902 10.643 -4.868 1.00 0.00 C ATOM 53 OH TYR A 4 -5.186 11.008 -5.217 1.00 0.00 O ATOM 0 H TYR A 4 1.043 11.478 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.626 9.174 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.825 10.151 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.304 8.478 -4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.192 8.093 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.700 11.786 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.494 8.746 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.010 12.452 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.171 11.892 -5.639 1.00 0.00 H new ATOM 63 N CYS A 5 2.635 8.765 -2.067 1.00 0.00 N ATOM 64 CA CYS A 5 3.716 7.813 -1.696 1.00 0.00 C ATOM 65 C CYS A 5 3.615 7.480 -0.201 1.00 0.00 C ATOM 66 O CYS A 5 3.763 6.342 0.197 1.00 0.00 O ATOM 67 CB CYS A 5 5.080 8.442 -1.996 1.00 0.00 C ATOM 68 SG CYS A 5 5.361 8.429 -3.779 1.00 0.00 S ATOM 0 H CYS A 5 2.952 9.656 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 5 3.608 6.897 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.114 9.464 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.869 7.888 -1.487 1.00 0.00 H new ATOM 73 N GLU A 6 3.377 8.455 0.630 1.00 0.00 N ATOM 74 CA GLU A 6 3.283 8.177 2.091 1.00 0.00 C ATOM 75 C GLU A 6 2.192 7.135 2.360 1.00 0.00 C ATOM 76 O GLU A 6 2.360 6.246 3.171 1.00 0.00 O ATOM 77 CB GLU A 6 2.953 9.483 2.831 1.00 0.00 C ATOM 78 CG GLU A 6 2.547 9.191 4.288 1.00 0.00 C ATOM 79 CD GLU A 6 1.056 8.843 4.359 1.00 0.00 C ATOM 80 OE1 GLU A 6 0.269 9.575 3.784 1.00 0.00 O ATOM 81 OE2 GLU A 6 0.730 7.850 4.988 1.00 0.00 O ATOM 0 H GLU A 6 3.244 9.430 0.363 1.00 0.00 H new ATOM 0 HA GLU A 6 4.235 7.784 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.818 10.146 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.143 10.003 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.140 8.365 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.756 10.059 4.913 1.00 0.00 H new ATOM 88 N VAL A 7 1.068 7.256 1.716 1.00 0.00 N ATOM 89 CA VAL A 7 -0.041 6.291 1.968 1.00 0.00 C ATOM 90 C VAL A 7 0.265 4.906 1.370 1.00 0.00 C ATOM 91 O VAL A 7 0.000 3.895 1.989 1.00 0.00 O ATOM 92 CB VAL A 7 -1.348 6.858 1.403 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.469 5.827 1.560 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.719 8.157 2.149 1.00 0.00 C ATOM 0 H VAL A 7 0.867 7.980 1.026 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.145 6.155 3.044 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.215 7.082 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.397 6.234 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.206 4.918 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.604 5.594 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.649 8.556 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.848 7.943 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.923 8.890 2.021 1.00 0.00 H new ATOM 104 N CYS A 8 0.816 4.836 0.181 1.00 0.00 N ATOM 105 CA CYS A 8 1.125 3.501 -0.426 1.00 0.00 C ATOM 106 C CYS A 8 2.090 2.740 0.473 1.00 0.00 C ATOM 107 O CYS A 8 1.964 1.546 0.654 1.00 0.00 O ATOM 108 CB CYS A 8 1.755 3.718 -1.802 1.00 0.00 C ATOM 109 SG CYS A 8 2.328 2.140 -2.490 1.00 0.00 S ATOM 0 H CYS A 8 1.064 5.642 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 8 0.209 2.920 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.028 4.173 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.592 4.412 -1.721 1.00 0.00 H new ATOM 114 N GLU A 9 3.050 3.408 1.051 1.00 0.00 N ATOM 115 CA GLU A 9 3.996 2.692 1.939 1.00 0.00 C ATOM 116 C GLU A 9 3.278 2.377 3.253 1.00 0.00 C ATOM 117 O GLU A 9 3.571 1.388 3.895 1.00 0.00 O ATOM 118 CB GLU A 9 5.225 3.583 2.214 1.00 0.00 C ATOM 119 CG GLU A 9 6.305 3.341 1.151 1.00 0.00 C ATOM 120 CD GLU A 9 6.993 2.001 1.418 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.723 1.916 2.392 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.778 1.082 0.645 1.00 0.00 O ATOM 0 H GLU A 9 3.216 4.409 0.946 1.00 0.00 H new ATOM 0 HA GLU A 9 4.332 1.769 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.930 4.632 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.625 3.367 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.858 3.341 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.037 4.148 1.171 1.00 0.00 H new ATOM 129 N PHE A 10 2.332 3.183 3.665 1.00 0.00 N ATOM 130 CA PHE A 10 1.626 2.863 4.932 1.00 0.00 C ATOM 131 C PHE A 10 0.762 1.613 4.728 1.00 0.00 C ATOM 132 O PHE A 10 0.793 0.695 5.522 1.00 0.00 O ATOM 133 CB PHE A 10 0.733 4.027 5.360 1.00 0.00 C ATOM 134 CG PHE A 10 0.032 3.636 6.636 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.643 3.878 7.872 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.215 3.005 6.582 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.003 3.493 9.056 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.855 2.616 7.766 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.245 2.861 9.003 1.00 0.00 C ATOM 0 H PHE A 10 2.026 4.031 3.187 1.00 0.00 H new ATOM 0 HA PHE A 10 2.368 2.685 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.329 4.927 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.006 4.255 4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.608 4.362 7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.685 2.818 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.472 3.683 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.818 2.128 7.725 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.738 2.562 9.916 1.00 0.00 H new ATOM 149 N LEU A 11 0.002 1.558 3.662 1.00 0.00 N ATOM 150 CA LEU A 11 -0.839 0.348 3.422 1.00 0.00 C ATOM 151 C LEU A 11 0.083 -0.856 3.263 1.00 0.00 C ATOM 152 O LEU A 11 -0.168 -1.911 3.811 1.00 0.00 O ATOM 153 CB LEU A 11 -1.681 0.509 2.143 1.00 0.00 C ATOM 154 CG LEU A 11 -2.735 1.616 2.336 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.222 2.106 0.969 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.939 1.082 3.129 1.00 0.00 C ATOM 0 H LEU A 11 -0.071 2.290 2.956 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.516 0.211 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.034 0.756 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.173 -0.433 1.901 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.276 2.436 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.968 2.889 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.379 2.503 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.666 1.275 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.673 1.878 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.393 0.252 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.606 0.737 4.108 1.00 0.00 H new ATOM 168 N VAL A 12 1.150 -0.721 2.524 1.00 0.00 N ATOM 169 CA VAL A 12 2.074 -1.868 2.347 1.00 0.00 C ATOM 170 C VAL A 12 2.619 -2.302 3.721 1.00 0.00 C ATOM 171 O VAL A 12 2.611 -3.467 4.058 1.00 0.00 O ATOM 172 CB VAL A 12 3.226 -1.424 1.429 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.426 -2.365 1.566 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.747 -1.432 -0.025 1.00 0.00 C ATOM 0 H VAL A 12 1.419 0.134 2.037 1.00 0.00 H new ATOM 0 HA VAL A 12 1.554 -2.714 1.898 1.00 0.00 H new ATOM 0 HB VAL A 12 3.533 -0.420 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.228 -2.031 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.778 -2.359 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.128 -3.377 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.561 -1.118 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.430 -2.439 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.908 -0.745 -0.135 1.00 0.00 H new ATOM 184 N LYS A 13 3.086 -1.368 4.520 1.00 0.00 N ATOM 185 CA LYS A 13 3.627 -1.734 5.867 1.00 0.00 C ATOM 186 C LYS A 13 2.525 -2.420 6.681 1.00 0.00 C ATOM 187 O LYS A 13 2.747 -3.418 7.338 1.00 0.00 O ATOM 188 CB LYS A 13 4.105 -0.464 6.588 1.00 0.00 C ATOM 189 CG LYS A 13 4.358 -0.758 8.077 1.00 0.00 C ATOM 190 CD LYS A 13 5.333 0.273 8.655 1.00 0.00 C ATOM 191 CE LYS A 13 4.821 1.685 8.364 1.00 0.00 C ATOM 192 NZ LYS A 13 3.378 1.774 8.725 1.00 0.00 N ATOM 0 H LYS A 13 3.115 -0.373 4.297 1.00 0.00 H new ATOM 0 HA LYS A 13 4.470 -2.416 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.019 -0.096 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.357 0.323 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.417 -0.730 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.766 -1.762 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.436 0.127 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.322 0.137 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.395 2.416 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.958 1.923 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.161 2.737 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.797 1.552 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.168 1.095 9.484 1.00 0.00 H new ATOM 206 N GLU A 14 1.347 -1.866 6.661 1.00 0.00 N ATOM 207 CA GLU A 14 0.229 -2.450 7.453 1.00 0.00 C ATOM 208 C GLU A 14 -0.190 -3.782 6.836 1.00 0.00 C ATOM 209 O GLU A 14 -0.529 -4.718 7.533 1.00 0.00 O ATOM 210 CB GLU A 14 -0.955 -1.457 7.460 1.00 0.00 C ATOM 211 CG GLU A 14 -1.629 -1.448 8.839 1.00 0.00 C ATOM 212 CD GLU A 14 -2.170 -2.842 9.153 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.719 -3.456 8.255 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.024 -3.272 10.285 1.00 0.00 O ATOM 0 H GLU A 14 1.108 -1.030 6.128 1.00 0.00 H new ATOM 0 HA GLU A 14 0.549 -2.629 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.601 -0.456 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.679 -1.737 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.913 -1.144 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.440 -0.720 8.854 1.00 0.00 H new ATOM 221 N VAL A 15 -0.182 -3.877 5.543 1.00 0.00 N ATOM 222 CA VAL A 15 -0.596 -5.150 4.906 1.00 0.00 C ATOM 223 C VAL A 15 0.452 -6.241 5.161 1.00 0.00 C ATOM 224 O VAL A 15 0.114 -7.357 5.472 1.00 0.00 O ATOM 225 CB VAL A 15 -0.797 -4.931 3.397 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.748 -6.279 2.655 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.159 -4.261 3.160 1.00 0.00 C ATOM 0 H VAL A 15 0.092 -3.133 4.901 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.539 -5.479 5.343 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.000 -4.291 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.891 -6.112 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.220 -6.751 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.538 -6.930 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.306 -4.104 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.952 -4.902 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.187 -3.301 3.675 1.00 0.00 H new ATOM 237 N THR A 16 1.716 -5.963 5.011 1.00 0.00 N ATOM 238 CA THR A 16 2.689 -7.067 5.232 1.00 0.00 C ATOM 239 C THR A 16 2.594 -7.556 6.672 1.00 0.00 C ATOM 240 O THR A 16 2.704 -8.739 6.928 1.00 0.00 O ATOM 241 CB THR A 16 4.132 -6.654 4.945 1.00 0.00 C ATOM 242 OG1 THR A 16 4.674 -6.014 6.092 1.00 0.00 O ATOM 243 CG2 THR A 16 4.230 -5.708 3.737 1.00 0.00 C ATOM 0 H THR A 16 2.107 -5.056 4.755 1.00 0.00 H new ATOM 0 HA THR A 16 2.427 -7.861 4.533 1.00 0.00 H new ATOM 0 HB THR A 16 4.697 -7.555 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.600 -5.749 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.273 -5.440 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.836 -6.207 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.650 -4.806 3.933 1.00 0.00 H new ATOM 251 N LYS A 17 2.383 -6.692 7.624 1.00 0.00 N ATOM 252 CA LYS A 17 2.285 -7.205 9.014 1.00 0.00 C ATOM 253 C LYS A 17 1.072 -8.128 9.062 1.00 0.00 C ATOM 254 O LYS A 17 1.038 -9.110 9.777 1.00 0.00 O ATOM 255 CB LYS A 17 2.113 -6.051 10.014 1.00 0.00 C ATOM 256 CG LYS A 17 1.551 -6.601 11.344 1.00 0.00 C ATOM 257 CD LYS A 17 1.940 -5.701 12.515 1.00 0.00 C ATOM 258 CE LYS A 17 1.469 -6.356 13.817 1.00 0.00 C ATOM 259 NZ LYS A 17 2.072 -5.646 14.979 1.00 0.00 N ATOM 0 H LYS A 17 2.277 -5.684 7.506 1.00 0.00 H new ATOM 0 HA LYS A 17 3.196 -7.737 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.071 -5.560 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.438 -5.299 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.465 -6.674 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.929 -7.609 11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.020 -5.554 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.486 -4.717 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.381 -6.321 13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.756 -7.408 13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.752 -6.092 15.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.109 -5.701 14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.777 -4.649 14.968 1.00 0.00 H new ATOM 273 N LEU A 18 0.080 -7.805 8.283 1.00 0.00 N ATOM 274 CA LEU A 18 -1.148 -8.634 8.236 1.00 0.00 C ATOM 275 C LEU A 18 -0.790 -9.946 7.525 1.00 0.00 C ATOM 276 O LEU A 18 -1.262 -11.009 7.878 1.00 0.00 O ATOM 277 CB LEU A 18 -2.251 -7.864 7.473 1.00 0.00 C ATOM 278 CG LEU A 18 -2.851 -6.643 8.271 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.372 -6.788 8.394 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.283 -6.489 9.697 1.00 0.00 C ATOM 0 H LEU A 18 0.071 -6.990 7.670 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.524 -8.852 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.841 -7.502 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.057 -8.555 7.226 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.571 -5.759 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.775 -5.939 8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.816 -6.817 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.608 -7.711 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.744 -5.628 10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.499 -7.388 10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.204 -6.341 9.645 1.00 0.00 H new ATOM 292 N ILE A 19 0.080 -9.879 6.554 1.00 0.00 N ATOM 293 CA ILE A 19 0.521 -11.113 5.846 1.00 0.00 C ATOM 294 C ILE A 19 1.417 -11.888 6.806 1.00 0.00 C ATOM 295 O ILE A 19 1.451 -13.102 6.811 1.00 0.00 O ATOM 296 CB ILE A 19 1.314 -10.731 4.585 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.378 -10.008 3.606 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.881 -11.988 3.914 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.156 -9.560 2.366 1.00 0.00 C ATOM 0 H ILE A 19 0.507 -9.015 6.219 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.335 -11.716 5.544 1.00 0.00 H new ATOM 0 HB ILE A 19 2.141 -10.078 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.437 -10.670 3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.073 -9.144 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.440 -11.704 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.544 -12.504 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.063 -12.651 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.482 -9.048 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.955 -8.881 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.586 -10.431 1.872 1.00 0.00 H new ATOM 311 N ASP A 20 2.148 -11.177 7.617 1.00 0.00 N ATOM 312 CA ASP A 20 3.061 -11.832 8.586 1.00 0.00 C ATOM 313 C ASP A 20 2.267 -12.419 9.754 1.00 0.00 C ATOM 314 O ASP A 20 2.738 -13.317 10.425 1.00 0.00 O ATOM 315 CB ASP A 20 4.054 -10.799 9.122 1.00 0.00 C ATOM 316 CG ASP A 20 4.757 -10.110 7.951 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.024 -10.781 6.968 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.016 -8.922 8.057 1.00 0.00 O ATOM 0 H ASP A 20 2.150 -10.157 7.648 1.00 0.00 H new ATOM 0 HA ASP A 20 3.594 -12.637 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.533 -10.061 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.788 -11.284 9.766 1.00 0.00 H new ATOM 323 N ASN A 21 1.071 -11.931 10.020 1.00 0.00 N ATOM 324 CA ASN A 21 0.289 -12.494 11.171 1.00 0.00 C ATOM 325 C ASN A 21 -0.553 -13.684 10.685 1.00 0.00 C ATOM 326 O ASN A 21 -1.230 -14.321 11.465 1.00 0.00 O ATOM 327 CB ASN A 21 -0.585 -11.416 11.818 1.00 0.00 C ATOM 328 CG ASN A 21 -1.348 -12.016 13.001 1.00 0.00 C ATOM 329 OD1 ASN A 21 -1.014 -13.084 13.474 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.364 -11.369 13.502 1.00 0.00 N ATOM 0 H ASN A 21 0.612 -11.183 9.500 1.00 0.00 H new ATOM 0 HA ASN A 21 0.981 -12.847 11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.035 -10.585 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.286 -11.014 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.878 -11.760 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.644 -10.472 13.104 1.00 0.00 H new ATOM 337 N ASN A 22 -0.454 -14.027 9.419 1.00 0.00 N ATOM 338 CA ASN A 22 -1.177 -15.237 8.878 1.00 0.00 C ATOM 339 C ASN A 22 -2.656 -14.966 8.555 1.00 0.00 C ATOM 340 O ASN A 22 -3.502 -15.794 8.829 1.00 0.00 O ATOM 341 CB ASN A 22 -1.089 -16.389 9.905 1.00 0.00 C ATOM 342 CG ASN A 22 -1.114 -17.743 9.183 1.00 0.00 C ATOM 343 OD1 ASN A 22 -0.294 -18.001 8.324 1.00 0.00 O ATOM 344 ND2 ASN A 22 -2.026 -18.621 9.499 1.00 0.00 N ATOM 0 H ASN A 22 0.100 -13.519 8.729 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.687 -15.505 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.173 -16.297 10.489 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.922 -16.326 10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.051 -19.524 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.714 -18.404 10.220 1.00 0.00 H new ATOM 351 N LYS A 23 -2.988 -13.847 7.973 1.00 0.00 N ATOM 352 CA LYS A 23 -4.427 -13.580 7.638 1.00 0.00 C ATOM 353 C LYS A 23 -4.671 -13.951 6.162 1.00 0.00 C ATOM 354 O LYS A 23 -3.782 -13.879 5.337 1.00 0.00 O ATOM 355 CB LYS A 23 -4.728 -12.099 7.867 1.00 0.00 C ATOM 356 CG LYS A 23 -4.091 -11.597 9.206 1.00 0.00 C ATOM 357 CD LYS A 23 -5.149 -10.941 10.116 1.00 0.00 C ATOM 358 CE LYS A 23 -4.548 -10.696 11.503 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.613 -10.209 12.425 1.00 0.00 N ATOM 0 H LYS A 23 -2.335 -13.107 7.714 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.082 -14.177 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.341 -11.513 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.807 -11.943 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.628 -12.434 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.299 -10.880 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.484 -9.999 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.025 -11.585 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.110 -11.616 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.744 -9.963 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.206 -10.042 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.011 -9.321 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.366 -10.923 12.494 1.00 0.00 H new ATOM 373 N THR A 24 -5.882 -14.346 5.832 1.00 0.00 N ATOM 374 CA THR A 24 -6.207 -14.724 4.418 1.00 0.00 C ATOM 375 C THR A 24 -6.440 -13.477 3.560 1.00 0.00 C ATOM 376 O THR A 24 -6.557 -12.379 4.063 1.00 0.00 O ATOM 377 CB THR A 24 -7.488 -15.568 4.378 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.617 -14.707 4.320 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.587 -16.441 5.623 1.00 0.00 C ATOM 0 H THR A 24 -6.661 -14.422 6.486 1.00 0.00 H new ATOM 0 HA THR A 24 -5.362 -15.291 4.027 1.00 0.00 H new ATOM 0 HB THR A 24 -7.461 -16.209 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.437 -15.244 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.501 -17.034 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.725 -17.106 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.606 -15.808 6.510 1.00 0.00 H new ATOM 387 N GLU A 25 -6.547 -13.656 2.269 1.00 0.00 N ATOM 388 CA GLU A 25 -6.810 -12.497 1.364 1.00 0.00 C ATOM 389 C GLU A 25 -8.177 -11.903 1.732 1.00 0.00 C ATOM 390 O GLU A 25 -8.340 -10.703 1.830 1.00 0.00 O ATOM 391 CB GLU A 25 -6.823 -12.983 -0.091 1.00 0.00 C ATOM 392 CG GLU A 25 -6.719 -11.788 -1.044 1.00 0.00 C ATOM 393 CD GLU A 25 -7.180 -12.204 -2.444 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.552 -13.077 -3.018 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.154 -11.641 -2.917 1.00 0.00 O ATOM 0 H GLU A 25 -6.463 -14.558 1.801 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.034 -11.739 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.992 -13.668 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.740 -13.538 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.332 -10.964 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.691 -11.428 -1.081 1.00 0.00 H new ATOM 402 N LYS A 26 -9.159 -12.743 1.921 1.00 0.00 N ATOM 403 CA LYS A 26 -10.527 -12.256 2.268 1.00 0.00 C ATOM 404 C LYS A 26 -10.498 -11.374 3.523 1.00 0.00 C ATOM 405 O LYS A 26 -11.276 -10.450 3.655 1.00 0.00 O ATOM 406 CB LYS A 26 -11.454 -13.457 2.496 1.00 0.00 C ATOM 407 CG LYS A 26 -12.923 -12.993 2.558 1.00 0.00 C ATOM 408 CD LYS A 26 -13.518 -12.924 1.145 1.00 0.00 C ATOM 409 CE LYS A 26 -14.992 -12.522 1.231 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.696 -13.415 2.194 1.00 0.00 N ATOM 0 H LYS A 26 -9.071 -13.757 1.849 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.900 -11.654 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.328 -14.181 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.185 -13.962 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.504 -13.682 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.983 -12.014 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.968 -12.202 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.422 -13.891 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.079 -11.484 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.457 -12.592 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.716 -13.409 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.330 -14.384 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.534 -13.076 3.164 1.00 0.00 H new ATOM 424 N GLU A 27 -9.623 -11.647 4.446 1.00 0.00 N ATOM 425 CA GLU A 27 -9.568 -10.818 5.688 1.00 0.00 C ATOM 426 C GLU A 27 -8.877 -9.472 5.410 1.00 0.00 C ATOM 427 O GLU A 27 -9.253 -8.457 5.961 1.00 0.00 O ATOM 428 CB GLU A 27 -8.790 -11.571 6.771 1.00 0.00 C ATOM 429 CG GLU A 27 -9.677 -12.652 7.399 1.00 0.00 C ATOM 430 CD GLU A 27 -10.748 -11.993 8.271 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.380 -11.258 9.173 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.918 -12.233 8.021 1.00 0.00 O ATOM 0 H GLU A 27 -8.943 -12.406 4.399 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.587 -10.628 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.898 -12.026 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.453 -10.875 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.147 -13.250 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.071 -13.330 8.000 1.00 0.00 H new ATOM 439 N ILE A 28 -7.875 -9.444 4.574 1.00 0.00 N ATOM 440 CA ILE A 28 -7.182 -8.149 4.294 1.00 0.00 C ATOM 441 C ILE A 28 -8.173 -7.203 3.624 1.00 0.00 C ATOM 442 O ILE A 28 -8.202 -6.021 3.904 1.00 0.00 O ATOM 443 CB ILE A 28 -5.973 -8.420 3.379 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.222 -9.685 3.904 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.061 -7.185 3.332 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.695 -9.519 3.937 1.00 0.00 C ATOM 0 H ILE A 28 -7.507 -10.254 4.075 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.824 -7.690 5.216 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.302 -8.613 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.576 -9.918 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.474 -10.536 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.209 -7.386 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.620 -6.334 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.705 -6.957 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.237 -10.435 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.329 -9.316 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.433 -8.688 4.592 1.00 0.00 H new ATOM 458 N LEU A 29 -8.996 -7.708 2.753 1.00 0.00 N ATOM 459 CA LEU A 29 -9.993 -6.834 2.082 1.00 0.00 C ATOM 460 C LEU A 29 -11.111 -6.484 3.072 1.00 0.00 C ATOM 461 O LEU A 29 -11.724 -5.441 2.996 1.00 0.00 O ATOM 462 CB LEU A 29 -10.567 -7.576 0.875 1.00 0.00 C ATOM 463 CG LEU A 29 -9.415 -8.070 -0.011 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.986 -8.894 -1.169 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.636 -6.867 -0.572 1.00 0.00 C ATOM 0 H LEU A 29 -9.022 -8.689 2.476 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.520 -5.911 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.173 -8.419 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.222 -6.916 0.306 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.741 -8.688 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.171 -9.247 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.534 -9.749 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.660 -8.274 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.819 -7.223 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.306 -6.245 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.230 -6.280 0.252 1.00 0.00 H new ATOM 477 N ASP A 30 -11.363 -7.348 4.018 1.00 0.00 N ATOM 478 CA ASP A 30 -12.415 -7.055 5.036 1.00 0.00 C ATOM 479 C ASP A 30 -11.918 -5.907 5.924 1.00 0.00 C ATOM 480 O ASP A 30 -12.651 -4.989 6.236 1.00 0.00 O ATOM 481 CB ASP A 30 -12.666 -8.300 5.890 1.00 0.00 C ATOM 482 CG ASP A 30 -13.841 -8.042 6.836 1.00 0.00 C ATOM 483 OD1 ASP A 30 -13.604 -7.528 7.917 1.00 0.00 O ATOM 484 OD2 ASP A 30 -14.957 -8.364 6.464 1.00 0.00 O ATOM 0 H ASP A 30 -10.887 -8.243 4.131 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.347 -6.773 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.882 -9.156 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.772 -8.548 6.462 1.00 0.00 H new ATOM 489 N ALA A 31 -10.686 -5.967 6.352 1.00 0.00 N ATOM 490 CA ALA A 31 -10.141 -4.900 7.244 1.00 0.00 C ATOM 491 C ALA A 31 -10.014 -3.574 6.480 1.00 0.00 C ATOM 492 O ALA A 31 -10.063 -2.513 7.071 1.00 0.00 O ATOM 493 CB ALA A 31 -8.767 -5.343 7.755 1.00 0.00 C ATOM 0 H ALA A 31 -10.029 -6.713 6.122 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.819 -4.746 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.356 -4.573 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.869 -6.275 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.097 -5.497 6.909 1.00 0.00 H new ATOM 499 N PHE A 32 -9.885 -3.605 5.188 1.00 0.00 N ATOM 500 CA PHE A 32 -9.796 -2.327 4.417 1.00 0.00 C ATOM 501 C PHE A 32 -10.989 -1.440 4.783 1.00 0.00 C ATOM 502 O PHE A 32 -11.065 -0.294 4.389 1.00 0.00 O ATOM 503 CB PHE A 32 -9.852 -2.672 2.920 1.00 0.00 C ATOM 504 CG PHE A 32 -8.485 -3.084 2.378 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.413 -3.451 3.226 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.291 -3.083 0.990 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.177 -3.803 2.675 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.050 -3.434 0.448 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.993 -3.791 1.290 1.00 0.00 C ATOM 0 H PHE A 32 -9.837 -4.456 4.627 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.871 -1.799 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.564 -3.481 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.219 -1.810 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.549 -3.459 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.105 -2.810 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.361 -4.086 3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.908 -3.429 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.034 -4.058 0.870 1.00 0.00 H new ATOM 519 N ASP A 33 -11.935 -1.969 5.509 1.00 0.00 N ATOM 520 CA ASP A 33 -13.138 -1.164 5.866 1.00 0.00 C ATOM 521 C ASP A 33 -12.874 -0.326 7.117 1.00 0.00 C ATOM 522 O ASP A 33 -13.565 0.641 7.371 1.00 0.00 O ATOM 523 CB ASP A 33 -14.312 -2.108 6.129 1.00 0.00 C ATOM 524 CG ASP A 33 -15.565 -1.291 6.448 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.741 -0.938 7.603 1.00 0.00 O ATOM 526 OD2 ASP A 33 -16.328 -1.032 5.532 1.00 0.00 O ATOM 0 H ASP A 33 -11.928 -2.923 5.870 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.371 -0.493 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.488 -2.737 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.078 -2.773 6.960 1.00 0.00 H new ATOM 531 N LYS A 34 -11.878 -0.673 7.897 1.00 0.00 N ATOM 532 CA LYS A 34 -11.564 0.120 9.129 1.00 0.00 C ATOM 533 C LYS A 34 -10.063 0.430 9.166 1.00 0.00 C ATOM 534 O LYS A 34 -9.540 0.879 10.165 1.00 0.00 O ATOM 535 CB LYS A 34 -11.968 -0.671 10.379 1.00 0.00 C ATOM 536 CG LYS A 34 -11.147 -1.957 10.483 1.00 0.00 C ATOM 537 CD LYS A 34 -11.665 -2.792 11.658 1.00 0.00 C ATOM 538 CE LYS A 34 -10.654 -3.888 11.995 1.00 0.00 C ATOM 539 NZ LYS A 34 -11.097 -4.610 13.221 1.00 0.00 N ATOM 0 H LYS A 34 -11.267 -1.473 7.733 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.125 1.054 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.814 -0.061 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.030 -0.912 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.221 -2.526 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.093 -1.719 10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.828 -2.154 12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.627 -3.237 11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.565 -4.585 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.668 -3.452 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.410 -5.356 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.160 -3.940 14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.030 -5.038 13.054 1.00 0.00 H new ATOM 553 N MET A 35 -9.361 0.197 8.083 1.00 0.00 N ATOM 554 CA MET A 35 -7.895 0.490 8.071 1.00 0.00 C ATOM 555 C MET A 35 -7.690 1.993 7.845 1.00 0.00 C ATOM 556 O MET A 35 -6.871 2.601 8.505 1.00 0.00 O ATOM 557 CB MET A 35 -7.212 -0.335 6.954 1.00 0.00 C ATOM 558 CG MET A 35 -5.966 -1.045 7.486 1.00 0.00 C ATOM 559 SD MET A 35 -4.965 -1.632 6.090 1.00 0.00 S ATOM 560 CE MET A 35 -5.192 -3.412 6.345 1.00 0.00 C ATOM 0 H MET A 35 -9.737 -0.181 7.213 1.00 0.00 H new ATOM 0 HA MET A 35 -7.446 0.212 9.025 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.913 -1.070 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.937 0.321 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.382 -0.364 8.105 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.254 -1.884 8.119 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.430 -3.959 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.103 -3.642 7.407 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.180 -3.707 5.992 1.00 0.00 H new ATOM 570 N CYS A 36 -8.409 2.622 6.946 1.00 0.00 N ATOM 571 CA CYS A 36 -8.176 4.079 6.782 1.00 0.00 C ATOM 572 C CYS A 36 -8.589 4.741 8.090 1.00 0.00 C ATOM 573 O CYS A 36 -8.454 5.935 8.272 1.00 0.00 O ATOM 574 CB CYS A 36 -8.986 4.660 5.618 1.00 0.00 C ATOM 575 SG CYS A 36 -8.152 6.137 5.001 1.00 0.00 S ATOM 0 H CYS A 36 -9.118 2.205 6.343 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.127 4.263 6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.083 3.922 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.995 4.907 5.948 1.00 0.00 H new ATOM 580 N SER A 37 -9.104 3.964 9.002 1.00 0.00 N ATOM 581 CA SER A 37 -9.545 4.542 10.309 1.00 0.00 C ATOM 582 C SER A 37 -8.351 4.686 11.261 1.00 0.00 C ATOM 583 O SER A 37 -8.526 4.919 12.441 1.00 0.00 O ATOM 584 CB SER A 37 -10.594 3.627 10.944 1.00 0.00 C ATOM 585 OG SER A 37 -11.483 3.165 9.937 1.00 0.00 O ATOM 0 H SER A 37 -9.239 2.958 8.903 1.00 0.00 H new ATOM 0 HA SER A 37 -9.974 5.528 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.109 2.782 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.146 4.166 11.714 1.00 0.00 H new ATOM 0 HG SER A 37 -12.315 2.855 10.352 1.00 0.00 H new ATOM 591 N LYS A 38 -7.140 4.550 10.765 1.00 0.00 N ATOM 592 CA LYS A 38 -5.930 4.680 11.649 1.00 0.00 C ATOM 593 C LYS A 38 -5.061 5.860 11.182 1.00 0.00 C ATOM 594 O LYS A 38 -3.980 6.079 11.693 1.00 0.00 O ATOM 595 CB LYS A 38 -5.118 3.375 11.601 1.00 0.00 C ATOM 596 CG LYS A 38 -5.777 2.326 12.501 1.00 0.00 C ATOM 597 CD LYS A 38 -4.934 1.049 12.499 1.00 0.00 C ATOM 598 CE LYS A 38 -5.681 -0.056 13.250 1.00 0.00 C ATOM 599 NZ LYS A 38 -5.862 0.347 14.673 1.00 0.00 N ATOM 0 H LYS A 38 -6.936 4.354 9.785 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.251 4.867 12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.063 3.007 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.095 3.559 11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.871 2.710 13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.785 2.109 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.732 0.735 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.969 1.236 12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.651 -0.235 12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.123 -0.991 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.149 -0.480 15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.966 0.723 15.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.598 1.080 14.735 1.00 0.00 H new ATOM 613 N LEU A 39 -5.530 6.627 10.222 1.00 0.00 N ATOM 614 CA LEU A 39 -4.744 7.809 9.718 1.00 0.00 C ATOM 615 C LEU A 39 -5.534 9.094 10.042 1.00 0.00 C ATOM 616 O LEU A 39 -6.745 9.081 9.951 1.00 0.00 O ATOM 617 CB LEU A 39 -4.599 7.706 8.191 1.00 0.00 C ATOM 618 CG LEU A 39 -3.895 6.402 7.797 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.888 6.277 6.273 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.445 6.405 8.306 1.00 0.00 C ATOM 0 H LEU A 39 -6.429 6.486 9.762 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.761 7.829 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.583 7.749 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.032 8.558 7.817 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.428 5.562 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.389 5.352 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.914 6.265 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.357 7.125 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.957 5.474 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.907 7.246 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.441 6.498 9.392 1.00 0.00 H new ATOM 632 N PRO A 40 -4.862 10.181 10.396 1.00 0.00 N ATOM 633 CA PRO A 40 -5.571 11.435 10.696 1.00 0.00 C ATOM 634 C PRO A 40 -6.644 11.711 9.623 1.00 0.00 C ATOM 635 O PRO A 40 -6.576 11.174 8.536 1.00 0.00 O ATOM 636 CB PRO A 40 -4.464 12.516 10.741 1.00 0.00 C ATOM 637 CG PRO A 40 -3.097 11.771 10.735 1.00 0.00 C ATOM 638 CD PRO A 40 -3.389 10.268 10.534 1.00 0.00 C ATOM 0 HA PRO A 40 -6.115 11.408 11.640 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.543 13.184 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.563 13.132 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.458 12.148 9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.566 11.936 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.886 9.883 9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.036 9.680 11.381 1.00 0.00 H new ATOM 646 N LYS A 41 -7.636 12.511 9.901 1.00 0.00 N ATOM 647 CA LYS A 41 -8.687 12.758 8.867 1.00 0.00 C ATOM 648 C LYS A 41 -8.109 13.470 7.643 1.00 0.00 C ATOM 649 O LYS A 41 -8.746 13.556 6.612 1.00 0.00 O ATOM 650 CB LYS A 41 -9.804 13.611 9.454 1.00 0.00 C ATOM 651 CG LYS A 41 -10.981 13.670 8.471 1.00 0.00 C ATOM 652 CD LYS A 41 -12.220 14.225 9.181 1.00 0.00 C ATOM 653 CE LYS A 41 -11.955 15.659 9.652 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.180 15.627 10.925 1.00 0.00 N ATOM 0 H LYS A 41 -7.766 13.000 10.787 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.078 11.790 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.133 13.192 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.437 14.617 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.725 14.301 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.190 12.675 8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.075 14.207 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.474 13.595 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.401 16.207 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.898 16.185 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.631 16.253 11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.159 14.655 11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.208 15.951 10.748 1.00 0.00 H new ATOM 668 N SER A 42 -6.949 14.051 7.763 1.00 0.00 N ATOM 669 CA SER A 42 -6.399 14.832 6.618 1.00 0.00 C ATOM 670 C SER A 42 -5.936 13.957 5.451 1.00 0.00 C ATOM 671 O SER A 42 -5.727 14.438 4.354 1.00 0.00 O ATOM 672 CB SER A 42 -5.262 15.738 7.088 1.00 0.00 C ATOM 673 OG SER A 42 -4.597 16.281 5.956 1.00 0.00 O ATOM 0 H SER A 42 -6.361 14.021 8.596 1.00 0.00 H new ATOM 0 HA SER A 42 -7.220 15.441 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.655 16.540 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.560 15.172 7.700 1.00 0.00 H new ATOM 0 HG SER A 42 -3.868 16.864 6.254 1.00 0.00 H new ATOM 679 N LEU A 43 -5.794 12.671 5.672 1.00 0.00 N ATOM 680 CA LEU A 43 -5.363 11.744 4.567 1.00 0.00 C ATOM 681 C LEU A 43 -6.507 10.776 4.255 1.00 0.00 C ATOM 682 O LEU A 43 -6.381 9.928 3.394 1.00 0.00 O ATOM 683 CB LEU A 43 -4.136 10.920 4.986 1.00 0.00 C ATOM 684 CG LEU A 43 -3.066 11.811 5.613 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.813 10.984 5.908 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.705 12.957 4.662 1.00 0.00 C ATOM 0 H LEU A 43 -5.958 12.219 6.572 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.108 12.345 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.436 10.151 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.724 10.407 4.117 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.458 12.227 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.052 11.623 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.063 10.179 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.430 10.559 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.941 13.584 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.324 12.547 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.593 13.556 4.460 1.00 0.00 H new ATOM 698 N SER A 44 -7.611 10.881 4.961 1.00 0.00 N ATOM 699 CA SER A 44 -8.767 9.952 4.724 1.00 0.00 C ATOM 700 C SER A 44 -8.906 9.648 3.233 1.00 0.00 C ATOM 701 O SER A 44 -8.778 8.533 2.774 1.00 0.00 O ATOM 702 CB SER A 44 -10.054 10.601 5.234 1.00 0.00 C ATOM 703 OG SER A 44 -11.170 9.823 4.821 1.00 0.00 O ATOM 0 H SER A 44 -7.762 11.573 5.695 1.00 0.00 H new ATOM 0 HA SER A 44 -8.587 9.020 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.031 10.676 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.141 11.616 4.847 1.00 0.00 H new ATOM 0 HG SER A 44 -11.996 10.236 5.148 1.00 0.00 H new ATOM 709 N GLU A 45 -9.331 10.655 2.522 1.00 0.00 N ATOM 710 CA GLU A 45 -9.699 10.553 1.083 1.00 0.00 C ATOM 711 C GLU A 45 -8.683 9.954 0.122 1.00 0.00 C ATOM 712 O GLU A 45 -8.974 9.031 -0.613 1.00 0.00 O ATOM 713 CB GLU A 45 -9.987 11.971 0.587 1.00 0.00 C ATOM 714 CG GLU A 45 -11.133 12.583 1.397 1.00 0.00 C ATOM 715 CD GLU A 45 -12.438 11.859 1.063 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.989 12.129 0.008 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.865 11.047 1.867 1.00 0.00 O ATOM 0 H GLU A 45 -9.443 11.594 2.904 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.538 9.858 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.093 12.587 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.249 11.950 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.922 12.502 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.226 13.645 1.170 1.00 0.00 H new ATOM 724 N GLU A 46 -7.494 10.463 0.127 1.00 0.00 N ATOM 725 CA GLU A 46 -6.459 9.920 -0.776 1.00 0.00 C ATOM 726 C GLU A 46 -6.289 8.427 -0.513 1.00 0.00 C ATOM 727 O GLU A 46 -5.839 7.694 -1.364 1.00 0.00 O ATOM 728 CB GLU A 46 -5.137 10.649 -0.527 1.00 0.00 C ATOM 729 CG GLU A 46 -5.377 12.173 -0.433 1.00 0.00 C ATOM 730 CD GLU A 46 -5.624 12.585 1.023 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.638 12.186 1.571 1.00 0.00 O ATOM 732 OE2 GLU A 46 -4.792 13.296 1.564 1.00 0.00 O ATOM 0 H GLU A 46 -7.192 11.236 0.721 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.760 10.068 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.682 10.288 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.437 10.433 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.514 12.709 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.233 12.452 -1.047 1.00 0.00 H new ATOM 739 N CYS A 47 -6.659 7.957 0.645 1.00 0.00 N ATOM 740 CA CYS A 47 -6.523 6.503 0.914 1.00 0.00 C ATOM 741 C CYS A 47 -7.687 5.784 0.232 1.00 0.00 C ATOM 742 O CYS A 47 -7.520 4.755 -0.392 1.00 0.00 O ATOM 743 CB CYS A 47 -6.549 6.261 2.437 1.00 0.00 C ATOM 744 SG CYS A 47 -8.239 5.915 3.002 1.00 0.00 S ATOM 0 H CYS A 47 -7.046 8.512 1.409 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.580 6.121 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.897 5.424 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.159 7.136 2.956 1.00 0.00 H new ATOM 749 N GLN A 48 -8.866 6.319 0.353 1.00 0.00 N ATOM 750 CA GLN A 48 -10.039 5.664 -0.280 1.00 0.00 C ATOM 751 C GLN A 48 -9.746 5.434 -1.759 1.00 0.00 C ATOM 752 O GLN A 48 -10.021 4.383 -2.302 1.00 0.00 O ATOM 753 CB GLN A 48 -11.272 6.558 -0.132 1.00 0.00 C ATOM 754 CG GLN A 48 -12.522 5.776 -0.541 1.00 0.00 C ATOM 755 CD GLN A 48 -12.825 4.708 0.512 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.728 3.527 0.242 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.189 5.075 1.710 1.00 0.00 N ATOM 0 H GLN A 48 -9.068 7.180 0.862 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.231 4.709 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.365 6.900 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.167 7.447 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.370 6.453 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.369 5.309 -1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.271 6.066 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.392 4.371 2.419 1.00 0.00 H new ATOM 766 N GLU A 49 -9.197 6.417 -2.420 1.00 0.00 N ATOM 767 CA GLU A 49 -8.896 6.264 -3.867 1.00 0.00 C ATOM 768 C GLU A 49 -7.780 5.238 -4.071 1.00 0.00 C ATOM 769 O GLU A 49 -7.828 4.430 -4.977 1.00 0.00 O ATOM 770 CB GLU A 49 -8.459 7.614 -4.440 1.00 0.00 C ATOM 771 CG GLU A 49 -9.648 8.576 -4.447 1.00 0.00 C ATOM 772 CD GLU A 49 -10.648 8.144 -5.521 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.220 7.907 -6.639 1.00 0.00 O ATOM 774 OE2 GLU A 49 -11.823 8.057 -5.208 1.00 0.00 O ATOM 0 H GLU A 49 -8.945 7.320 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.792 5.917 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.646 8.028 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.077 7.484 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.129 8.583 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.306 9.592 -4.641 1.00 0.00 H new ATOM 781 N VAL A 50 -6.778 5.250 -3.227 1.00 0.00 N ATOM 782 CA VAL A 50 -5.679 4.259 -3.380 1.00 0.00 C ATOM 783 C VAL A 50 -6.212 2.871 -3.047 1.00 0.00 C ATOM 784 O VAL A 50 -6.048 1.933 -3.802 1.00 0.00 O ATOM 785 CB VAL A 50 -4.513 4.578 -2.432 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.405 3.536 -2.621 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.958 5.984 -2.732 1.00 0.00 C ATOM 0 H VAL A 50 -6.677 5.899 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.318 4.300 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.870 4.551 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.576 3.760 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.796 2.544 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.053 3.562 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.132 6.201 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.603 6.023 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.746 6.724 -2.592 1.00 0.00 H new ATOM 797 N VAL A 51 -6.824 2.720 -1.901 1.00 0.00 N ATOM 798 CA VAL A 51 -7.330 1.381 -1.507 1.00 0.00 C ATOM 799 C VAL A 51 -8.365 0.885 -2.526 1.00 0.00 C ATOM 800 O VAL A 51 -8.290 -0.217 -3.027 1.00 0.00 O ATOM 801 CB VAL A 51 -7.890 1.449 -0.079 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.325 0.066 0.384 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.806 1.977 0.869 1.00 0.00 C ATOM 0 H VAL A 51 -6.993 3.466 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.517 0.655 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.752 2.117 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.720 0.129 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.098 -0.315 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.469 -0.609 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.202 2.026 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.946 1.308 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.498 2.973 0.551 1.00 0.00 H new ATOM 813 N ASP A 52 -9.369 1.686 -2.781 1.00 0.00 N ATOM 814 CA ASP A 52 -10.472 1.275 -3.703 1.00 0.00 C ATOM 815 C ASP A 52 -9.981 1.044 -5.134 1.00 0.00 C ATOM 816 O ASP A 52 -10.382 0.103 -5.790 1.00 0.00 O ATOM 817 CB ASP A 52 -11.541 2.374 -3.713 1.00 0.00 C ATOM 818 CG ASP A 52 -12.043 2.608 -2.287 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.244 2.491 -1.372 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.217 2.900 -2.134 1.00 0.00 O ATOM 0 H ASP A 52 -9.472 2.620 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.878 0.331 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.126 3.296 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.370 2.085 -4.359 1.00 0.00 H new ATOM 825 N THR A 53 -9.139 1.903 -5.633 1.00 0.00 N ATOM 826 CA THR A 53 -8.647 1.746 -7.029 1.00 0.00 C ATOM 827 C THR A 53 -7.443 0.814 -7.076 1.00 0.00 C ATOM 828 O THR A 53 -7.314 0.027 -7.993 1.00 0.00 O ATOM 829 CB THR A 53 -8.252 3.118 -7.579 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.311 4.038 -7.355 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.976 3.009 -9.079 1.00 0.00 C ATOM 0 H THR A 53 -8.769 2.711 -5.132 1.00 0.00 H new ATOM 0 HA THR A 53 -9.443 1.313 -7.636 1.00 0.00 H new ATOM 0 HB THR A 53 -7.353 3.468 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.182 4.481 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.695 3.987 -9.469 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.163 2.303 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.873 2.659 -9.590 1.00 0.00 H new ATOM 839 N TYR A 54 -6.542 0.906 -6.130 1.00 0.00 N ATOM 840 CA TYR A 54 -5.326 0.031 -6.168 1.00 0.00 C ATOM 841 C TYR A 54 -5.330 -1.022 -5.055 1.00 0.00 C ATOM 842 O TYR A 54 -4.300 -1.393 -4.533 1.00 0.00 O ATOM 843 CB TYR A 54 -4.086 0.902 -6.039 1.00 0.00 C ATOM 844 CG TYR A 54 -3.962 1.784 -7.260 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.574 3.038 -7.271 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.236 1.352 -8.375 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.466 3.866 -8.389 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.124 2.180 -9.500 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.739 3.439 -9.506 1.00 0.00 C ATOM 850 OH TYR A 54 -3.630 4.256 -10.613 1.00 0.00 O ATOM 0 H TYR A 54 -6.593 1.545 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.327 -0.502 -7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.150 1.514 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.199 0.277 -5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.134 3.370 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.762 0.381 -8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.943 4.835 -8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.564 1.848 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.091 3.808 -11.298 1.00 0.00 H new ATOM 860 N GLY A 55 -6.490 -1.471 -4.660 1.00 0.00 N ATOM 861 CA GLY A 55 -6.575 -2.459 -3.547 1.00 0.00 C ATOM 862 C GLY A 55 -6.282 -3.877 -4.029 1.00 0.00 C ATOM 863 O GLY A 55 -5.413 -4.544 -3.502 1.00 0.00 O ATOM 0 H GLY A 55 -7.386 -1.195 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.867 -2.187 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.570 -2.423 -3.104 1.00 0.00 H new ATOM 867 N SER A 56 -7.001 -4.369 -5.003 1.00 0.00 N ATOM 868 CA SER A 56 -6.736 -5.758 -5.452 1.00 0.00 C ATOM 869 C SER A 56 -5.349 -5.834 -6.067 1.00 0.00 C ATOM 870 O SER A 56 -4.717 -6.872 -6.088 1.00 0.00 O ATOM 871 CB SER A 56 -7.770 -6.195 -6.488 1.00 0.00 C ATOM 872 OG SER A 56 -9.039 -5.653 -6.148 1.00 0.00 O ATOM 0 H SER A 56 -7.746 -3.877 -5.496 1.00 0.00 H new ATOM 0 HA SER A 56 -6.800 -6.421 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.472 -5.856 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.825 -7.283 -6.526 1.00 0.00 H new ATOM 0 HG SER A 56 -9.703 -5.932 -6.813 1.00 0.00 H new ATOM 878 N SER A 57 -4.902 -4.747 -6.641 1.00 0.00 N ATOM 879 CA SER A 57 -3.591 -4.777 -7.334 1.00 0.00 C ATOM 880 C SER A 57 -2.436 -4.773 -6.336 1.00 0.00 C ATOM 881 O SER A 57 -1.542 -5.586 -6.420 1.00 0.00 O ATOM 882 CB SER A 57 -3.469 -3.610 -8.313 1.00 0.00 C ATOM 883 OG SER A 57 -3.602 -2.386 -7.602 1.00 0.00 O ATOM 0 H SER A 57 -5.387 -3.850 -6.657 1.00 0.00 H new ATOM 0 HA SER A 57 -3.535 -5.706 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.506 -3.646 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.238 -3.683 -9.082 1.00 0.00 H new ATOM 0 HG SER A 57 -3.523 -1.635 -8.226 1.00 0.00 H new ATOM 889 N ILE A 58 -2.471 -3.905 -5.357 1.00 0.00 N ATOM 890 CA ILE A 58 -1.390 -3.901 -4.332 1.00 0.00 C ATOM 891 C ILE A 58 -1.340 -5.284 -3.687 1.00 0.00 C ATOM 892 O ILE A 58 -0.332 -5.961 -3.665 1.00 0.00 O ATOM 893 CB ILE A 58 -1.696 -2.848 -3.242 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.414 -1.437 -3.793 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.806 -3.112 -2.009 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.806 -0.363 -2.761 1.00 0.00 C ATOM 0 H ILE A 58 -3.199 -3.203 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.437 -3.658 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.745 -2.918 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.357 -1.342 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.973 -1.283 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.021 -2.370 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.011 -4.109 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.243 -3.043 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.599 0.626 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.869 -0.447 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.228 -0.507 -1.848 1.00 0.00 H new ATOM 908 N LEU A 59 -2.460 -5.674 -3.154 1.00 0.00 N ATOM 909 CA LEU A 59 -2.588 -6.985 -2.474 1.00 0.00 C ATOM 910 C LEU A 59 -2.233 -8.106 -3.450 1.00 0.00 C ATOM 911 O LEU A 59 -1.868 -9.187 -3.040 1.00 0.00 O ATOM 912 CB LEU A 59 -4.040 -7.128 -1.994 1.00 0.00 C ATOM 913 CG LEU A 59 -4.297 -8.530 -1.423 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.265 -8.847 -0.330 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.717 -8.590 -0.821 1.00 0.00 C ATOM 0 H LEU A 59 -3.317 -5.120 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.909 -7.048 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.250 -6.377 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.721 -6.939 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.208 -9.264 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.453 -9.843 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.262 -8.811 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.346 -8.112 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.899 -9.585 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.806 -7.852 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.451 -8.375 -1.598 1.00 0.00 H new ATOM 927 N SER A 60 -2.356 -7.903 -4.734 1.00 0.00 N ATOM 928 CA SER A 60 -2.042 -9.031 -5.663 1.00 0.00 C ATOM 929 C SER A 60 -0.524 -9.138 -5.878 1.00 0.00 C ATOM 930 O SER A 60 0.022 -10.213 -6.021 1.00 0.00 O ATOM 931 CB SER A 60 -2.734 -8.782 -6.998 1.00 0.00 C ATOM 932 OG SER A 60 -4.122 -9.061 -6.869 1.00 0.00 O ATOM 0 H SER A 60 -2.652 -7.031 -5.173 1.00 0.00 H new ATOM 0 HA SER A 60 -2.398 -9.965 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.587 -7.748 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.295 -9.413 -7.771 1.00 0.00 H new ATOM 0 HG SER A 60 -4.625 -8.220 -6.859 1.00 0.00 H new ATOM 938 N ILE A 61 0.152 -8.018 -5.906 1.00 0.00 N ATOM 939 CA ILE A 61 1.633 -8.021 -6.117 1.00 0.00 C ATOM 940 C ILE A 61 2.340 -8.610 -4.892 1.00 0.00 C ATOM 941 O ILE A 61 3.235 -9.424 -5.007 1.00 0.00 O ATOM 942 CB ILE A 61 2.118 -6.575 -6.322 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.171 -5.819 -7.315 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.566 -6.608 -6.823 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.944 -5.149 -8.461 1.00 0.00 C ATOM 0 H ILE A 61 -0.262 -7.093 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 61 1.865 -8.626 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 61 2.089 -6.029 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.447 -6.521 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.606 -5.063 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.923 -5.589 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.195 -7.108 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.612 -7.151 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.244 -4.638 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.649 -4.426 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.488 -5.907 -9.025 1.00 0.00 H new ATOM 957 N LEU A 62 1.960 -8.181 -3.722 1.00 0.00 N ATOM 958 CA LEU A 62 2.615 -8.679 -2.479 1.00 0.00 C ATOM 959 C LEU A 62 2.733 -10.207 -2.501 1.00 0.00 C ATOM 960 O LEU A 62 3.675 -10.772 -1.982 1.00 0.00 O ATOM 961 CB LEU A 62 1.764 -8.255 -1.275 1.00 0.00 C ATOM 962 CG LEU A 62 2.008 -6.758 -0.949 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.698 -6.103 -0.497 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.050 -6.633 0.170 1.00 0.00 C ATOM 0 H LEU A 62 1.216 -7.500 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 62 3.617 -8.257 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.708 -8.421 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.013 -8.869 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 62 2.374 -6.256 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.876 -5.052 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.042 -6.182 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.327 -6.609 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.218 -5.580 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.687 -7.142 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.986 -7.089 -0.152 1.00 0.00 H new ATOM 976 N LEU A 63 1.773 -10.880 -3.072 1.00 0.00 N ATOM 977 CA LEU A 63 1.818 -12.367 -3.097 1.00 0.00 C ATOM 978 C LEU A 63 2.806 -12.863 -4.155 1.00 0.00 C ATOM 979 O LEU A 63 3.186 -14.017 -4.158 1.00 0.00 O ATOM 980 CB LEU A 63 0.415 -12.918 -3.369 1.00 0.00 C ATOM 981 CG LEU A 63 -0.595 -12.220 -2.450 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.968 -12.879 -2.607 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.136 -12.331 -0.990 1.00 0.00 C ATOM 0 H LEU A 63 0.959 -10.463 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 63 2.160 -12.726 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.145 -12.757 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.396 -13.994 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.662 -11.167 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.686 -12.383 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.298 -12.791 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.899 -13.933 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.858 -11.833 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.063 -13.382 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.839 -11.857 -0.878 1.00 0.00 H new ATOM 995 N GLU A 64 3.233 -12.016 -5.058 1.00 0.00 N ATOM 996 CA GLU A 64 4.198 -12.477 -6.101 1.00 0.00 C ATOM 997 C GLU A 64 5.621 -12.350 -5.548 1.00 0.00 C ATOM 998 O GLU A 64 6.579 -12.184 -6.276 1.00 0.00 O ATOM 999 CB GLU A 64 4.035 -11.646 -7.380 1.00 0.00 C ATOM 1000 CG GLU A 64 2.851 -12.169 -8.200 1.00 0.00 C ATOM 1001 CD GLU A 64 3.200 -13.538 -8.789 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.939 -13.572 -9.759 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.721 -14.528 -8.260 1.00 0.00 O ATOM 0 H GLU A 64 2.958 -11.035 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 64 4.001 -13.519 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.876 -10.598 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.948 -11.694 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.965 -12.248 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.611 -11.468 -9.000 1.00 0.00 H new ATOM 1010 N GLU A 65 5.749 -12.483 -4.255 1.00 0.00 N ATOM 1011 CA GLU A 65 7.094 -12.438 -3.611 1.00 0.00 C ATOM 1012 C GLU A 65 7.919 -11.230 -4.074 1.00 0.00 C ATOM 1013 O GLU A 65 9.133 -11.274 -4.119 1.00 0.00 O ATOM 1014 CB GLU A 65 7.851 -13.700 -4.033 1.00 0.00 C ATOM 1015 CG GLU A 65 7.193 -14.928 -3.401 1.00 0.00 C ATOM 1016 CD GLU A 65 7.879 -16.194 -3.916 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.312 -16.187 -5.057 1.00 0.00 O ATOM 1018 OE2 GLU A 65 7.959 -17.150 -3.162 1.00 0.00 O ATOM 0 H GLU A 65 4.971 -12.622 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 65 6.954 -12.366 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.848 -13.792 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.893 -13.632 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.269 -14.876 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.131 -14.951 -3.646 1.00 0.00 H new ATOM 1025 N VAL A 66 7.267 -10.142 -4.387 1.00 0.00 N ATOM 1026 CA VAL A 66 7.991 -8.904 -4.815 1.00 0.00 C ATOM 1027 C VAL A 66 8.254 -8.045 -3.563 1.00 0.00 C ATOM 1028 O VAL A 66 7.459 -8.018 -2.645 1.00 0.00 O ATOM 1029 CB VAL A 66 7.098 -8.148 -5.827 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.334 -6.634 -5.759 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.404 -8.633 -7.251 1.00 0.00 C ATOM 0 H VAL A 66 6.251 -10.055 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 66 8.944 -9.138 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 66 6.058 -8.352 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.691 -6.133 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.102 -6.274 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.377 -6.418 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.773 -8.098 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.452 -8.443 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.204 -9.702 -7.322 1.00 0.00 H new ATOM 1041 N SER A 67 9.364 -7.348 -3.515 1.00 0.00 N ATOM 1042 CA SER A 67 9.662 -6.506 -2.315 1.00 0.00 C ATOM 1043 C SER A 67 8.495 -5.517 -2.076 1.00 0.00 C ATOM 1044 O SER A 67 7.910 -5.044 -3.030 1.00 0.00 O ATOM 1045 CB SER A 67 10.964 -5.723 -2.543 1.00 0.00 C ATOM 1046 OG SER A 67 11.856 -6.516 -3.316 1.00 0.00 O ATOM 0 H SER A 67 10.071 -7.326 -4.249 1.00 0.00 H new ATOM 0 HA SER A 67 9.778 -7.148 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.753 -4.785 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.421 -5.467 -1.587 1.00 0.00 H new ATOM 0 HG SER A 67 12.688 -6.020 -3.466 1.00 0.00 H new ATOM 1052 N PRO A 68 8.176 -5.224 -0.823 1.00 0.00 N ATOM 1053 CA PRO A 68 7.072 -4.290 -0.509 1.00 0.00 C ATOM 1054 C PRO A 68 7.331 -2.875 -1.069 1.00 0.00 C ATOM 1055 O PRO A 68 6.414 -2.182 -1.452 1.00 0.00 O ATOM 1056 CB PRO A 68 7.011 -4.251 1.039 1.00 0.00 C ATOM 1057 CG PRO A 68 8.178 -5.121 1.579 1.00 0.00 C ATOM 1058 CD PRO A 68 8.856 -5.791 0.367 1.00 0.00 C ATOM 0 HA PRO A 68 6.138 -4.622 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.099 -3.226 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.054 -4.632 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.893 -4.507 2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.806 -5.873 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.925 -5.579 0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.746 -6.875 0.404 1.00 0.00 H new ATOM 1066 N GLU A 69 8.552 -2.423 -1.080 1.00 0.00 N ATOM 1067 CA GLU A 69 8.827 -1.038 -1.577 1.00 0.00 C ATOM 1068 C GLU A 69 8.785 -0.999 -3.110 1.00 0.00 C ATOM 1069 O GLU A 69 8.577 0.043 -3.721 1.00 0.00 O ATOM 1070 CB GLU A 69 10.212 -0.605 -1.074 1.00 0.00 C ATOM 1071 CG GLU A 69 10.675 0.671 -1.789 1.00 0.00 C ATOM 1072 CD GLU A 69 9.560 1.721 -1.757 1.00 0.00 C ATOM 1073 OE1 GLU A 69 9.098 2.033 -0.672 1.00 0.00 O ATOM 1074 OE2 GLU A 69 9.188 2.193 -2.819 1.00 0.00 O ATOM 0 H GLU A 69 9.371 -2.946 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 69 8.064 -0.356 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.176 -0.432 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.933 -1.405 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.570 1.064 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.942 0.443 -2.821 1.00 0.00 H new ATOM 1081 N LEU A 70 8.955 -2.120 -3.743 1.00 0.00 N ATOM 1082 CA LEU A 70 8.909 -2.117 -5.227 1.00 0.00 C ATOM 1083 C LEU A 70 7.454 -1.877 -5.652 1.00 0.00 C ATOM 1084 O LEU A 70 7.167 -1.582 -6.795 1.00 0.00 O ATOM 1085 CB LEU A 70 9.454 -3.443 -5.780 1.00 0.00 C ATOM 1086 CG LEU A 70 10.985 -3.473 -5.667 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.491 -4.902 -5.914 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.640 -2.517 -6.685 1.00 0.00 C ATOM 0 H LEU A 70 9.122 -3.027 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 70 9.538 -1.325 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.025 -4.280 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.156 -3.561 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 70 11.258 -3.146 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.578 -4.922 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.060 -5.574 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.195 -5.225 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.724 -2.561 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.361 -2.815 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.298 -1.499 -6.500 1.00 0.00 H new ATOM 1100 N VAL A 71 6.533 -2.034 -4.732 1.00 0.00 N ATOM 1101 CA VAL A 71 5.089 -1.852 -5.071 1.00 0.00 C ATOM 1102 C VAL A 71 4.790 -0.393 -5.435 1.00 0.00 C ATOM 1103 O VAL A 71 4.255 -0.122 -6.488 1.00 0.00 O ATOM 1104 CB VAL A 71 4.209 -2.305 -3.881 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.811 -1.646 -3.919 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.056 -3.830 -3.914 1.00 0.00 C ATOM 0 H VAL A 71 6.721 -2.281 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 71 4.857 -2.468 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 71 4.701 -1.993 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.224 -1.989 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.918 -0.562 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.304 -1.921 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.437 -4.152 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.584 -4.128 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.038 -4.296 -3.838 1.00 0.00 H new ATOM 1116 N CYS A 72 5.082 0.553 -4.589 1.00 0.00 N ATOM 1117 CA CYS A 72 4.732 1.951 -4.955 1.00 0.00 C ATOM 1118 C CYS A 72 5.546 2.383 -6.190 1.00 0.00 C ATOM 1119 O CYS A 72 5.123 3.224 -6.958 1.00 0.00 O ATOM 1120 CB CYS A 72 5.009 2.882 -3.761 1.00 0.00 C ATOM 1121 SG CYS A 72 4.337 2.158 -2.237 1.00 0.00 S ATOM 0 H CYS A 72 5.535 0.426 -3.684 1.00 0.00 H new ATOM 0 HA CYS A 72 3.672 2.013 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.082 3.041 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.558 3.858 -3.939 1.00 0.00 H new ATOM 1126 N SER A 73 6.705 1.794 -6.395 1.00 0.00 N ATOM 1127 CA SER A 73 7.527 2.163 -7.598 1.00 0.00 C ATOM 1128 C SER A 73 6.965 1.509 -8.883 1.00 0.00 C ATOM 1129 O SER A 73 6.950 2.125 -9.930 1.00 0.00 O ATOM 1130 CB SER A 73 8.980 1.735 -7.390 1.00 0.00 C ATOM 1131 OG SER A 73 9.821 2.515 -8.229 1.00 0.00 O ATOM 0 H SER A 73 7.113 1.082 -5.789 1.00 0.00 H new ATOM 0 HA SER A 73 7.481 3.245 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.265 1.867 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.097 0.676 -7.621 1.00 0.00 H new ATOM 0 HG SER A 73 10.754 2.246 -8.098 1.00 0.00 H new ATOM 1137 N MET A 74 6.511 0.283 -8.828 1.00 0.00 N ATOM 1138 CA MET A 74 5.964 -0.375 -10.067 1.00 0.00 C ATOM 1139 C MET A 74 4.591 0.219 -10.442 1.00 0.00 C ATOM 1140 O MET A 74 4.302 0.418 -11.605 1.00 0.00 O ATOM 1141 CB MET A 74 5.816 -1.907 -9.826 1.00 0.00 C ATOM 1142 CG MET A 74 7.005 -2.689 -10.416 1.00 0.00 C ATOM 1143 SD MET A 74 6.554 -4.437 -10.613 1.00 0.00 S ATOM 1144 CE MET A 74 5.729 -4.683 -9.019 1.00 0.00 C ATOM 0 H MET A 74 6.493 -0.293 -7.987 1.00 0.00 H new ATOM 0 HA MET A 74 6.659 -0.195 -10.887 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.745 -2.103 -8.756 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.888 -2.259 -10.276 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.288 -2.266 -11.380 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.872 -2.599 -9.762 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.709 -5.746 -8.780 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.273 -4.146 -8.241 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.708 -4.304 -9.075 1.00 0.00 H new ATOM 1154 N LEU A 75 3.735 0.484 -9.494 1.00 0.00 N ATOM 1155 CA LEU A 75 2.391 1.037 -9.855 1.00 0.00 C ATOM 1156 C LEU A 75 2.517 2.496 -10.321 1.00 0.00 C ATOM 1157 O LEU A 75 1.547 3.226 -10.367 1.00 0.00 O ATOM 1158 CB LEU A 75 1.452 0.958 -8.641 1.00 0.00 C ATOM 1159 CG LEU A 75 1.408 -0.478 -8.089 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.331 -0.582 -7.007 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.096 -1.476 -9.216 1.00 0.00 C ATOM 0 H LEU A 75 3.900 0.345 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 75 1.978 0.444 -10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.793 1.643 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.449 1.275 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 75 2.382 -0.717 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.303 -1.600 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.562 0.109 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.640 -0.330 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.068 -2.487 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.129 -1.236 -9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.869 -1.414 -9.982 1.00 0.00 H new ATOM 1173 N HIS A 76 3.702 2.928 -10.661 1.00 0.00 N ATOM 1174 CA HIS A 76 3.888 4.341 -11.119 1.00 0.00 C ATOM 1175 C HIS A 76 3.168 5.285 -10.145 1.00 0.00 C ATOM 1176 O HIS A 76 2.873 6.415 -10.481 1.00 0.00 O ATOM 1177 CB HIS A 76 3.338 4.510 -12.543 1.00 0.00 C ATOM 1178 CG HIS A 76 4.136 3.653 -13.488 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.828 3.555 -14.836 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.230 2.847 -13.293 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.721 2.718 -15.395 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.598 2.258 -14.499 1.00 0.00 N ATOM 0 H HIS A 76 4.552 2.365 -10.642 1.00 0.00 H new ATOM 0 HA HIS A 76 4.950 4.586 -11.134 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.286 4.225 -12.575 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.395 5.556 -12.846 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.729 2.693 -12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.728 2.451 -16.441 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.371 1.613 -14.663 1.00 0.00 H new ATOM 1190 N LEU A 77 2.878 4.850 -8.951 1.00 0.00 N ATOM 1191 CA LEU A 77 2.177 5.741 -7.981 1.00 0.00 C ATOM 1192 C LEU A 77 3.230 6.644 -7.317 1.00 0.00 C ATOM 1193 O LEU A 77 2.907 7.641 -6.702 1.00 0.00 O ATOM 1194 CB LEU A 77 1.433 4.853 -6.945 1.00 0.00 C ATOM 1195 CG LEU A 77 -0.069 5.198 -6.841 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.748 5.285 -8.230 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.774 4.129 -5.991 1.00 0.00 C ATOM 0 H LEU A 77 3.095 3.916 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 77 1.439 6.376 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.543 3.805 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.899 4.973 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.155 6.179 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.803 5.530 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.264 6.060 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.656 4.326 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.835 4.367 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.654 3.153 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.333 4.108 -4.994 1.00 0.00 H new ATOM 1209 N CYS A 78 4.487 6.306 -7.466 1.00 0.00 N ATOM 1210 CA CYS A 78 5.590 7.139 -6.885 1.00 0.00 C ATOM 1211 C CYS A 78 6.608 7.413 -7.996 1.00 0.00 C ATOM 1212 O CYS A 78 7.605 6.728 -8.113 1.00 0.00 O ATOM 1213 CB CYS A 78 6.281 6.372 -5.758 1.00 0.00 C ATOM 1214 SG CYS A 78 5.280 6.474 -4.266 1.00 0.00 S ATOM 0 H CYS A 78 4.801 5.478 -7.972 1.00 0.00 H new ATOM 0 HA CYS A 78 5.186 8.070 -6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.421 5.330 -6.045 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.272 6.788 -5.574 1.00 0.00 H new