USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.324 (180deg=-1.83!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 9:sc= -2.55! USER MOD Single : A 9 CYS SG : rot -38:sc= 0.00525 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= 0.189 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 85:sc= -4.68! USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.735 (180deg=-1.08) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.805 -12.376 5.748 1.00 0.00 N ATOM 2 CA MET A 1 -8.391 -11.945 5.591 1.00 0.00 C ATOM 3 C MET A 1 -8.252 -10.436 5.760 1.00 0.00 C ATOM 4 O MET A 1 -9.228 -9.742 6.045 1.00 0.00 O ATOM 5 CB MET A 1 -7.904 -12.370 4.203 1.00 0.00 C ATOM 6 CG MET A 1 -8.903 -12.090 3.093 1.00 0.00 C ATOM 7 SD MET A 1 -9.309 -13.563 2.134 1.00 0.00 S ATOM 8 CE MET A 1 -11.034 -13.260 1.759 1.00 0.00 C ATOM 0 H1 MET A 1 -9.990 -13.191 5.129 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.978 -12.646 6.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.438 -11.593 5.487 1.00 0.00 H new ATOM 0 HA MET A 1 -7.784 -12.418 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.972 -11.851 3.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.680 -13.437 4.217 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.816 -11.680 3.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.496 -11.329 2.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.429 -14.087 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.599 -13.176 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.126 -12.333 1.193 1.00 0.00 H new ATOM 20 N TYR A 2 -7.033 -9.934 5.587 1.00 0.00 N ATOM 21 CA TYR A 2 -6.767 -8.508 5.732 1.00 0.00 C ATOM 22 C TYR A 2 -6.486 -7.854 4.380 1.00 0.00 C ATOM 23 O TYR A 2 -6.101 -8.520 3.419 1.00 0.00 O ATOM 24 CB TYR A 2 -5.581 -8.279 6.674 1.00 0.00 C ATOM 25 CG TYR A 2 -5.941 -8.334 8.144 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.096 -7.726 8.625 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.118 -8.986 9.053 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.423 -7.774 9.967 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.438 -9.037 10.397 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.590 -8.430 10.848 1.00 0.00 C ATOM 31 OH TYR A 2 -6.912 -8.480 12.186 1.00 0.00 O ATOM 0 H TYR A 2 -6.215 -10.494 5.346 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.659 -8.047 6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.818 -9.030 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.139 -7.307 6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.748 -7.208 7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.213 -9.461 8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.326 -7.300 10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.788 -9.550 11.090 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.222 -8.980 12.670 1.00 0.00 H new ATOM 41 N ILE A 3 -6.677 -6.541 4.328 1.00 0.00 N ATOM 42 CA ILE A 3 -6.445 -5.765 3.115 1.00 0.00 C ATOM 43 C ILE A 3 -5.539 -4.576 3.410 1.00 0.00 C ATOM 44 O ILE A 3 -5.428 -4.144 4.556 1.00 0.00 O ATOM 45 CB ILE A 3 -7.767 -5.232 2.532 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.546 -4.468 3.605 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.611 -6.364 1.969 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.484 -3.425 3.041 1.00 0.00 C ATOM 0 H ILE A 3 -6.996 -5.986 5.122 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.972 -6.430 2.392 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.530 -4.551 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.120 -5.178 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.840 -3.984 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.539 -5.960 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.059 -6.870 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.841 -7.075 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.003 -2.923 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.913 -2.693 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.213 -3.906 2.389 1.00 0.00 H new ATOM 60 N ILE A 4 -4.924 -4.022 2.371 1.00 0.00 N ATOM 61 CA ILE A 4 -4.063 -2.858 2.534 1.00 0.00 C ATOM 62 C ILE A 4 -4.509 -1.735 1.595 1.00 0.00 C ATOM 63 O ILE A 4 -5.082 -1.990 0.536 1.00 0.00 O ATOM 64 CB ILE A 4 -2.577 -3.225 2.299 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.983 -3.829 3.576 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.757 -2.016 1.868 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.006 -5.342 3.604 1.00 0.00 C ATOM 0 H ILE A 4 -5.005 -4.359 1.412 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.153 -2.504 3.561 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.538 -3.957 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.953 -3.489 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.535 -3.451 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.720 -2.316 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.161 -1.615 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.802 -1.251 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.569 -5.695 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.036 -5.692 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.430 -5.730 2.764 1.00 0.00 H new ATOM 79 N PHE A 5 -4.296 -0.494 2.012 1.00 0.00 N ATOM 80 CA PHE A 5 -4.714 0.660 1.220 1.00 0.00 C ATOM 81 C PHE A 5 -3.718 1.806 1.364 1.00 0.00 C ATOM 82 O PHE A 5 -2.594 1.604 1.823 1.00 0.00 O ATOM 83 CB PHE A 5 -6.106 1.125 1.652 1.00 0.00 C ATOM 84 CG PHE A 5 -6.502 0.690 3.033 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.101 -0.543 3.242 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.298 1.523 4.118 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.471 -0.940 4.512 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.675 1.135 5.387 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.255 -0.100 5.586 1.00 0.00 C ATOM 0 H PHE A 5 -3.837 -0.259 2.892 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.747 0.358 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.145 2.213 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.840 0.747 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.280 -1.199 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.838 2.489 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.929 -1.906 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.516 1.798 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.540 -0.410 6.581 1.00 0.00 H new ATOM 99 N ARG A 6 -4.130 3.012 0.968 1.00 0.00 N ATOM 100 CA ARG A 6 -3.249 4.171 1.047 1.00 0.00 C ATOM 101 C ARG A 6 -4.007 5.434 1.448 1.00 0.00 C ATOM 102 O ARG A 6 -5.049 5.756 0.878 1.00 0.00 O ATOM 103 CB ARG A 6 -2.554 4.396 -0.298 1.00 0.00 C ATOM 104 CG ARG A 6 -1.349 3.497 -0.519 1.00 0.00 C ATOM 105 CD ARG A 6 -1.383 2.849 -1.893 1.00 0.00 C ATOM 106 NE ARG A 6 -1.393 3.840 -2.966 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.369 4.051 -3.788 1.00 0.00 C ATOM 108 NH1 ARG A 6 0.746 3.343 -3.661 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.459 4.971 -4.738 1.00 0.00 N ATOM 0 H ARG A 6 -5.059 3.207 0.594 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.506 3.965 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.272 4.230 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.237 5.437 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.434 4.080 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.325 2.724 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.516 2.199 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.268 2.218 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.234 4.403 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.820 2.634 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.529 3.507 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.314 5.518 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.327 5.132 -5.368 1.00 0.00 H new ATOM 123 N CYS A 7 -3.460 6.161 2.419 1.00 0.00 N ATOM 124 CA CYS A 7 -4.058 7.409 2.866 1.00 0.00 C ATOM 125 C CYS A 7 -3.736 8.527 1.882 1.00 0.00 C ATOM 126 O CYS A 7 -2.798 8.409 1.092 1.00 0.00 O ATOM 127 CB CYS A 7 -3.553 7.770 4.264 1.00 0.00 C ATOM 128 SG CYS A 7 -4.590 8.967 5.137 1.00 0.00 S ATOM 0 H CYS A 7 -2.603 5.904 2.909 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.140 7.282 2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.486 6.860 4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.543 8.172 4.181 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.689 9.158 4.469 1.00 0.00 H new ATOM 134 N ASP A 8 -4.480 9.628 1.965 1.00 0.00 N ATOM 135 CA ASP A 8 -4.281 10.753 1.057 1.00 0.00 C ATOM 136 C ASP A 8 -2.894 11.353 1.242 1.00 0.00 C ATOM 137 O ASP A 8 -2.309 11.893 0.303 1.00 0.00 O ATOM 138 CB ASP A 8 -5.349 11.824 1.296 1.00 0.00 C ATOM 139 CG ASP A 8 -6.360 11.893 0.168 1.00 0.00 C ATOM 140 OD1 ASP A 8 -7.203 10.978 0.070 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.308 12.864 -0.616 1.00 0.00 O ATOM 0 H ASP A 8 -5.224 9.764 2.650 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.369 10.386 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.867 11.615 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.867 12.795 1.408 1.00 0.00 H new ATOM 146 N CYS A 9 -2.363 11.229 2.451 1.00 0.00 N ATOM 147 CA CYS A 9 -1.020 11.706 2.752 1.00 0.00 C ATOM 148 C CYS A 9 0.021 10.789 2.118 1.00 0.00 C ATOM 149 O CYS A 9 1.224 10.950 2.331 1.00 0.00 O ATOM 150 CB CYS A 9 -0.814 11.763 4.265 1.00 0.00 C ATOM 151 SG CYS A 9 0.732 12.549 4.777 1.00 0.00 S ATOM 0 H CYS A 9 -2.844 10.800 3.242 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.902 12.708 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.648 12.303 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.841 10.748 4.662 1.00 0.00 H new ATOM 0 HG CYS A 9 1.680 12.221 3.950 1.00 0.00 H new ATOM 157 N GLY A 10 -0.457 9.813 1.352 1.00 0.00 N ATOM 158 CA GLY A 10 0.428 8.852 0.724 1.00 0.00 C ATOM 159 C GLY A 10 0.785 7.723 1.667 1.00 0.00 C ATOM 160 O GLY A 10 1.759 7.001 1.450 1.00 0.00 O ATOM 0 H GLY A 10 -1.448 9.671 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.050 8.445 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.338 9.355 0.396 1.00 0.00 H new ATOM 164 N ARG A 11 0.022 7.611 2.751 1.00 0.00 N ATOM 165 CA ARG A 11 0.258 6.578 3.754 1.00 0.00 C ATOM 166 C ARG A 11 -0.323 5.237 3.321 1.00 0.00 C ATOM 167 O ARG A 11 -0.686 5.050 2.161 1.00 0.00 O ATOM 168 CB ARG A 11 -0.342 6.992 5.100 1.00 0.00 C ATOM 169 CG ARG A 11 -0.225 8.480 5.390 1.00 0.00 C ATOM 170 CD ARG A 11 -0.127 8.752 6.883 1.00 0.00 C ATOM 171 NE ARG A 11 -0.948 7.830 7.663 1.00 0.00 N ATOM 172 CZ ARG A 11 -2.075 8.181 8.276 1.00 0.00 C ATOM 173 NH1 ARG A 11 -2.512 9.433 8.204 1.00 0.00 N ATOM 174 NH2 ARG A 11 -2.765 7.282 8.964 1.00 0.00 N ATOM 0 H ARG A 11 -0.766 8.225 2.957 1.00 0.00 H new ATOM 0 HA ARG A 11 1.337 6.464 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.394 6.708 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.154 6.436 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.655 8.881 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.091 9.001 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.913 8.668 7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.440 9.776 7.086 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.639 6.861 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.983 10.128 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.377 9.699 8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.432 6.320 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.629 7.553 9.434 1.00 0.00 H new ATOM 188 N ALA A 12 -0.394 4.304 4.266 1.00 0.00 N ATOM 189 CA ALA A 12 -0.946 2.979 4.010 1.00 0.00 C ATOM 190 C ALA A 12 -1.385 2.321 5.315 1.00 0.00 C ATOM 191 O ALA A 12 -0.767 2.533 6.359 1.00 0.00 O ATOM 192 CB ALA A 12 0.073 2.110 3.292 1.00 0.00 C ATOM 0 H ALA A 12 -0.073 4.444 5.224 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.821 3.087 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.354 1.124 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.340 2.572 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.965 2.009 3.910 1.00 0.00 H new ATOM 198 N LEU A 13 -2.455 1.531 5.262 1.00 0.00 N ATOM 199 CA LEU A 13 -2.951 0.852 6.458 1.00 0.00 C ATOM 200 C LEU A 13 -3.502 -0.534 6.130 1.00 0.00 C ATOM 201 O LEU A 13 -3.409 -1.000 4.995 1.00 0.00 O ATOM 202 CB LEU A 13 -4.028 1.695 7.141 1.00 0.00 C ATOM 203 CG LEU A 13 -3.512 2.661 8.208 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.021 4.068 7.939 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.928 2.195 9.594 1.00 0.00 C ATOM 0 H LEU A 13 -2.991 1.346 4.414 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.108 0.726 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.557 2.268 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.756 1.026 7.600 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.423 2.676 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.645 4.744 8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.673 4.400 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.111 4.070 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.552 2.894 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.016 2.152 9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.515 1.204 9.784 1.00 0.00 H new ATOM 217 N TYR A 14 -4.072 -1.188 7.142 1.00 0.00 N ATOM 218 CA TYR A 14 -4.634 -2.527 6.979 1.00 0.00 C ATOM 219 C TYR A 14 -5.982 -2.646 7.689 1.00 0.00 C ATOM 220 O TYR A 14 -6.177 -2.090 8.770 1.00 0.00 O ATOM 221 CB TYR A 14 -3.663 -3.576 7.526 1.00 0.00 C ATOM 222 CG TYR A 14 -3.318 -3.391 8.988 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.299 -2.531 9.380 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.007 -4.084 9.976 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.980 -2.364 10.714 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.694 -3.922 11.312 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.680 -3.061 11.676 1.00 0.00 C ATOM 228 OH TYR A 14 -2.367 -2.896 13.006 1.00 0.00 O ATOM 0 H TYR A 14 -4.156 -0.810 8.086 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.790 -2.702 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.098 -4.566 7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.744 -3.547 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.747 -1.984 8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.800 -4.761 9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.186 -1.691 11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.241 -4.467 12.067 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.955 -3.458 13.553 1.00 0.00 H new ATOM 238 N SER A 15 -6.908 -3.381 7.076 1.00 0.00 N ATOM 239 CA SER A 15 -8.234 -3.590 7.654 1.00 0.00 C ATOM 240 C SER A 15 -8.850 -4.885 7.133 1.00 0.00 C ATOM 241 O SER A 15 -8.187 -5.664 6.454 1.00 0.00 O ATOM 242 CB SER A 15 -9.154 -2.411 7.330 1.00 0.00 C ATOM 243 OG SER A 15 -10.298 -2.412 8.166 1.00 0.00 O ATOM 0 H SER A 15 -6.764 -3.842 6.178 1.00 0.00 H new ATOM 0 HA SER A 15 -8.123 -3.664 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.609 -1.475 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.463 -2.463 6.286 1.00 0.00 H new ATOM 0 HG SER A 15 -11.087 -2.160 7.641 1.00 0.00 H new ATOM 249 N ARG A 16 -10.117 -5.116 7.465 1.00 0.00 N ATOM 250 CA ARG A 16 -10.809 -6.317 7.012 1.00 0.00 C ATOM 251 C ARG A 16 -11.198 -6.201 5.542 1.00 0.00 C ATOM 252 O ARG A 16 -11.405 -5.101 5.029 1.00 0.00 O ATOM 253 CB ARG A 16 -12.050 -6.578 7.861 1.00 0.00 C ATOM 254 CG ARG A 16 -13.169 -5.582 7.624 1.00 0.00 C ATOM 255 CD ARG A 16 -13.578 -4.896 8.916 1.00 0.00 C ATOM 256 NE ARG A 16 -15.024 -4.716 9.011 1.00 0.00 N ATOM 257 CZ ARG A 16 -15.864 -5.677 9.384 1.00 0.00 C ATOM 258 NH1 ARG A 16 -15.404 -6.881 9.694 1.00 0.00 N ATOM 259 NH2 ARG A 16 -17.166 -5.434 9.447 1.00 0.00 N ATOM 0 H ARG A 16 -10.681 -4.492 8.042 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.124 -7.158 7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.418 -7.582 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.771 -6.554 8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.846 -4.835 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.029 -6.094 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.230 -5.486 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.088 -3.925 8.981 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.412 -3.802 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.403 -7.072 9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.051 -7.616 9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.524 -4.509 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.809 -6.172 9.733 1.00 0.00 H new ATOM 273 N GLU A 17 -11.269 -7.341 4.867 1.00 0.00 N ATOM 274 CA GLU A 17 -11.633 -7.380 3.455 1.00 0.00 C ATOM 275 C GLU A 17 -13.012 -6.769 3.218 1.00 0.00 C ATOM 276 O GLU A 17 -14.030 -7.360 3.577 1.00 0.00 O ATOM 277 CB GLU A 17 -11.610 -8.822 2.945 1.00 0.00 C ATOM 278 CG GLU A 17 -11.263 -8.939 1.469 1.00 0.00 C ATOM 279 CD GLU A 17 -12.491 -9.039 0.587 1.00 0.00 C ATOM 280 OE1 GLU A 17 -13.228 -8.036 0.478 1.00 0.00 O ATOM 281 OE2 GLU A 17 -12.718 -10.121 0.005 1.00 0.00 O ATOM 0 H GLU A 17 -11.078 -8.256 5.276 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.901 -6.789 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.886 -9.393 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.586 -9.275 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.674 -8.072 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.637 -9.818 1.315 1.00 0.00 H new ATOM 288 N GLY A 18 -13.040 -5.596 2.593 1.00 0.00 N ATOM 289 CA GLY A 18 -14.305 -4.945 2.301 1.00 0.00 C ATOM 290 C GLY A 18 -14.259 -3.444 2.504 1.00 0.00 C ATOM 291 O GLY A 18 -15.224 -2.741 2.201 1.00 0.00 O ATOM 0 H GLY A 18 -12.213 -5.086 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.588 -5.158 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.081 -5.369 2.938 1.00 0.00 H new ATOM 295 N ALA A 19 -13.143 -2.949 3.029 1.00 0.00 N ATOM 296 CA ALA A 19 -12.985 -1.521 3.271 1.00 0.00 C ATOM 297 C ALA A 19 -12.757 -0.765 1.967 1.00 0.00 C ATOM 298 O ALA A 19 -11.720 -0.918 1.324 1.00 0.00 O ATOM 299 CB ALA A 19 -11.840 -1.270 4.240 1.00 0.00 C ATOM 0 H ALA A 19 -12.337 -3.515 3.294 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.908 -1.150 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.735 -0.198 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.048 -1.769 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.914 -1.663 3.819 1.00 0.00 H new ATOM 305 N LYS A 20 -13.740 0.040 1.577 1.00 0.00 N ATOM 306 CA LYS A 20 -13.641 0.833 0.358 1.00 0.00 C ATOM 307 C LYS A 20 -12.996 2.184 0.650 1.00 0.00 C ATOM 308 O LYS A 20 -12.124 2.645 -0.089 1.00 0.00 O ATOM 309 CB LYS A 20 -15.026 1.037 -0.259 1.00 0.00 C ATOM 310 CG LYS A 20 -15.456 -0.096 -1.177 1.00 0.00 C ATOM 311 CD LYS A 20 -16.592 -0.905 -0.570 1.00 0.00 C ATOM 312 CE LYS A 20 -16.380 -2.398 -0.765 1.00 0.00 C ATOM 313 NZ LYS A 20 -16.641 -2.817 -2.170 1.00 0.00 N ATOM 0 H LYS A 20 -14.615 0.160 2.088 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.015 0.293 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.759 1.143 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.030 1.971 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.771 0.312 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.606 -0.750 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.669 -0.684 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.536 -0.608 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.357 -2.658 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.039 -2.949 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.486 -3.841 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.625 -2.592 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.995 -2.310 -2.809 1.00 0.00 H new ATOM 327 N THR A 21 -13.423 2.807 1.745 1.00 0.00 N ATOM 328 CA THR A 21 -12.882 4.098 2.152 1.00 0.00 C ATOM 329 C THR A 21 -12.771 4.180 3.669 1.00 0.00 C ATOM 330 O THR A 21 -13.778 4.255 4.373 1.00 0.00 O ATOM 331 CB THR A 21 -13.762 5.235 1.632 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.124 4.850 1.618 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.393 5.686 0.237 1.00 0.00 C ATOM 0 H THR A 21 -14.143 2.437 2.366 1.00 0.00 H new ATOM 0 HA THR A 21 -11.885 4.199 1.722 1.00 0.00 H new ATOM 0 HB THR A 21 -13.597 6.066 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.670 5.592 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.056 6.494 -0.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.362 6.039 0.230 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.495 4.850 -0.455 1.00 0.00 H new ATOM 341 N ARG A 22 -11.539 4.165 4.165 1.00 0.00 N ATOM 342 CA ARG A 22 -11.293 4.237 5.600 1.00 0.00 C ATOM 343 C ARG A 22 -11.180 5.688 6.052 1.00 0.00 C ATOM 344 O ARG A 22 -11.618 6.600 5.353 1.00 0.00 O ATOM 345 CB ARG A 22 -10.017 3.471 5.960 1.00 0.00 C ATOM 346 CG ARG A 22 -10.161 2.602 7.200 1.00 0.00 C ATOM 347 CD ARG A 22 -10.882 1.300 6.890 1.00 0.00 C ATOM 348 NE ARG A 22 -12.320 1.493 6.731 1.00 0.00 N ATOM 349 CZ ARG A 22 -13.238 0.764 7.357 1.00 0.00 C ATOM 350 NH1 ARG A 22 -12.870 -0.208 8.183 1.00 0.00 N ATOM 351 NH2 ARG A 22 -14.527 1.004 7.157 1.00 0.00 N ATOM 0 H ARG A 22 -10.696 4.104 3.595 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.136 3.778 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.730 2.843 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.207 4.183 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.174 2.384 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.710 3.149 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.472 0.867 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.699 0.585 7.692 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.639 2.230 6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.880 -0.397 8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.577 -0.765 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.815 1.749 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.231 0.444 7.638 1.00 0.00 H new ATOM 365 N LYS A 23 -10.596 5.894 7.227 1.00 0.00 N ATOM 366 CA LYS A 23 -10.442 7.237 7.770 1.00 0.00 C ATOM 367 C LYS A 23 -9.207 7.332 8.657 1.00 0.00 C ATOM 368 O LYS A 23 -8.843 6.376 9.342 1.00 0.00 O ATOM 369 CB LYS A 23 -11.689 7.627 8.566 1.00 0.00 C ATOM 370 CG LYS A 23 -11.600 9.003 9.207 1.00 0.00 C ATOM 371 CD LYS A 23 -12.605 9.155 10.338 1.00 0.00 C ATOM 372 CE LYS A 23 -13.950 9.643 9.825 1.00 0.00 C ATOM 373 NZ LYS A 23 -14.146 11.098 10.080 1.00 0.00 N ATOM 0 H LYS A 23 -10.223 5.152 7.819 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.316 7.928 6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.555 7.600 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.859 6.884 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.592 9.163 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.780 9.769 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.733 8.198 10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.219 9.857 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.023 9.449 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.749 9.079 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.075 11.392 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.102 11.280 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.399 11.638 9.600 1.00 0.00 H new ATOM 387 N CYS A 24 -8.574 8.500 8.643 1.00 0.00 N ATOM 388 CA CYS A 24 -7.385 8.741 9.445 1.00 0.00 C ATOM 389 C CYS A 24 -7.751 9.459 10.740 1.00 0.00 C ATOM 390 O CYS A 24 -8.387 10.514 10.718 1.00 0.00 O ATOM 391 CB CYS A 24 -6.375 9.566 8.645 1.00 0.00 C ATOM 392 SG CYS A 24 -5.518 10.835 9.605 1.00 0.00 S ATOM 0 H CYS A 24 -8.869 9.298 8.080 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.934 7.782 9.701 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.635 8.892 8.214 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.893 10.045 7.814 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.491 10.307 10.203 1.00 0.00 H new ATOM 398 N VAL A 25 -7.367 8.868 11.866 1.00 0.00 N ATOM 399 CA VAL A 25 -7.677 9.438 13.173 1.00 0.00 C ATOM 400 C VAL A 25 -6.894 10.724 13.414 1.00 0.00 C ATOM 401 O VAL A 25 -7.282 11.551 14.240 1.00 0.00 O ATOM 402 CB VAL A 25 -7.379 8.442 14.311 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.243 8.747 15.527 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.593 7.010 13.843 1.00 0.00 C ATOM 0 H VAL A 25 -6.841 7.995 11.901 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.744 9.662 13.172 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.333 8.552 14.598 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.019 8.034 16.320 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.034 9.758 15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.295 8.668 15.255 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.377 6.324 14.662 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.628 6.882 13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.928 6.797 13.006 1.00 0.00 H new ATOM 414 N CYS A 26 -5.792 10.888 12.689 1.00 0.00 N ATOM 415 CA CYS A 26 -4.963 12.082 12.821 1.00 0.00 C ATOM 416 C CYS A 26 -5.685 13.308 12.269 1.00 0.00 C ATOM 417 O CYS A 26 -5.419 14.435 12.686 1.00 0.00 O ATOM 418 CB CYS A 26 -3.628 11.889 12.097 1.00 0.00 C ATOM 419 SG CYS A 26 -2.305 12.972 12.685 1.00 0.00 S ATOM 0 H CYS A 26 -5.453 10.211 12.006 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.769 12.243 13.881 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.312 10.852 12.211 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.777 12.061 11.031 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.218 12.732 12.014 1.00 0.00 H new ATOM 425 N GLY A 27 -6.604 13.077 11.334 1.00 0.00 N ATOM 426 CA GLY A 27 -7.358 14.171 10.749 1.00 0.00 C ATOM 427 C GLY A 27 -7.372 14.131 9.232 1.00 0.00 C ATOM 428 O GLY A 27 -7.112 15.143 8.581 1.00 0.00 O ATOM 0 H GLY A 27 -6.839 12.153 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.383 14.138 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.931 15.118 11.079 1.00 0.00 H new ATOM 432 N ARG A 28 -7.742 12.978 8.669 1.00 0.00 N ATOM 433 CA ARG A 28 -7.798 12.803 7.216 1.00 0.00 C ATOM 434 C ARG A 28 -8.654 11.592 6.855 1.00 0.00 C ATOM 435 O ARG A 28 -9.422 11.094 7.678 1.00 0.00 O ATOM 436 CB ARG A 28 -6.397 12.597 6.612 1.00 0.00 C ATOM 437 CG ARG A 28 -5.266 13.314 7.331 1.00 0.00 C ATOM 438 CD ARG A 28 -3.951 13.173 6.581 1.00 0.00 C ATOM 439 NE ARG A 28 -4.036 13.713 5.226 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.971 15.011 4.944 1.00 0.00 C ATOM 441 NH1 ARG A 28 -3.819 15.899 5.919 1.00 0.00 N ATOM 442 NH2 ARG A 28 -4.055 15.423 3.686 1.00 0.00 N ATOM 0 H ARG A 28 -8.008 12.149 9.200 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.235 13.714 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.178 11.529 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.414 12.930 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.513 14.370 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.158 12.908 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.163 13.690 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.670 12.121 6.536 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.152 13.058 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.752 15.586 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.769 16.894 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.170 14.744 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.005 16.419 3.471 1.00 0.00 H new ATOM 456 N THR A 29 -8.513 11.124 5.616 1.00 0.00 N ATOM 457 CA THR A 29 -9.265 9.970 5.137 1.00 0.00 C ATOM 458 C THR A 29 -8.370 9.053 4.309 1.00 0.00 C ATOM 459 O THR A 29 -7.561 9.521 3.506 1.00 0.00 O ATOM 460 CB THR A 29 -10.463 10.424 4.300 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.269 11.331 5.032 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.346 9.282 3.849 1.00 0.00 C ATOM 0 H THR A 29 -7.882 11.529 4.925 1.00 0.00 H new ATOM 0 HA THR A 29 -9.628 9.416 6.003 1.00 0.00 H new ATOM 0 HB THR A 29 -10.036 10.899 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.029 11.612 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.176 9.674 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.764 8.591 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.736 8.757 4.721 1.00 0.00 H new ATOM 470 N VAL A 30 -8.503 7.748 4.523 1.00 0.00 N ATOM 471 CA VAL A 30 -7.690 6.772 3.808 1.00 0.00 C ATOM 472 C VAL A 30 -8.471 6.111 2.681 1.00 0.00 C ATOM 473 O VAL A 30 -9.418 5.362 2.919 1.00 0.00 O ATOM 474 CB VAL A 30 -7.150 5.690 4.759 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.027 4.909 4.098 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.673 6.326 6.051 1.00 0.00 C ATOM 0 H VAL A 30 -9.165 7.343 5.185 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.850 7.318 3.378 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.955 4.993 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.658 4.149 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.401 4.429 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.215 5.588 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.292 5.553 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.879 7.040 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.504 6.842 6.531 1.00 0.00 H new ATOM 486 N ASN A 31 -8.079 6.416 1.452 1.00 0.00 N ATOM 487 CA ASN A 31 -8.733 5.855 0.273 1.00 0.00 C ATOM 488 C ASN A 31 -8.001 4.614 -0.229 1.00 0.00 C ATOM 489 O ASN A 31 -6.825 4.680 -0.587 1.00 0.00 O ATOM 490 CB ASN A 31 -8.804 6.901 -0.841 1.00 0.00 C ATOM 491 CG ASN A 31 -10.164 6.940 -1.510 1.00 0.00 C ATOM 492 OD1 ASN A 31 -11.096 7.570 -1.011 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.284 6.263 -2.646 1.00 0.00 N ATOM 0 H ASN A 31 -7.309 7.051 1.243 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.743 5.563 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.577 7.884 -0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.040 6.685 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.176 6.252 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.484 5.754 -3.024 1.00 0.00 H new ATOM 500 N VAL A 32 -8.693 3.478 -0.244 1.00 0.00 N ATOM 501 CA VAL A 32 -8.095 2.241 -0.732 1.00 0.00 C ATOM 502 C VAL A 32 -7.786 2.339 -2.225 1.00 0.00 C ATOM 503 O VAL A 32 -7.881 3.416 -2.814 1.00 0.00 O ATOM 504 CB VAL A 32 -8.984 1.010 -0.441 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.553 1.094 0.967 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.102 0.863 -1.462 1.00 0.00 C ATOM 0 H VAL A 32 -9.658 3.389 0.073 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.160 2.102 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.356 0.122 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.177 0.221 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.736 1.122 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.154 1.998 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.702 -0.014 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.733 1.752 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.673 0.746 -2.457 1.00 0.00 H new ATOM 516 N LYS A 33 -7.395 1.220 -2.827 1.00 0.00 N ATOM 517 CA LYS A 33 -7.056 1.195 -4.246 1.00 0.00 C ATOM 518 C LYS A 33 -8.226 1.674 -5.104 1.00 0.00 C ATOM 519 O LYS A 33 -9.273 2.061 -4.585 1.00 0.00 O ATOM 520 CB LYS A 33 -6.644 -0.217 -4.668 1.00 0.00 C ATOM 521 CG LYS A 33 -5.301 -0.273 -5.377 1.00 0.00 C ATOM 522 CD LYS A 33 -5.442 -0.800 -6.795 1.00 0.00 C ATOM 523 CE LYS A 33 -5.211 -2.301 -6.857 1.00 0.00 C ATOM 524 NZ LYS A 33 -6.297 -3.062 -6.177 1.00 0.00 N ATOM 0 H LYS A 33 -7.305 0.320 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.219 1.875 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.606 -0.854 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.410 -0.629 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.859 0.723 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.619 -0.912 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.438 -0.568 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.728 -0.294 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.146 -2.615 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.255 -2.540 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.974 -4.032 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.539 -2.595 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.137 -3.091 -6.790 1.00 0.00 H new ATOM 538 N ASP A 34 -8.047 1.625 -6.420 1.00 0.00 N ATOM 539 CA ASP A 34 -9.087 2.054 -7.347 1.00 0.00 C ATOM 540 C ASP A 34 -9.998 0.886 -7.699 1.00 0.00 C ATOM 541 O ASP A 34 -11.222 1.018 -7.702 1.00 0.00 O ATOM 542 CB ASP A 34 -8.462 2.632 -8.619 1.00 0.00 C ATOM 543 CG ASP A 34 -8.517 4.146 -8.653 1.00 0.00 C ATOM 544 OD1 ASP A 34 -9.597 4.694 -8.955 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.479 4.784 -8.377 1.00 0.00 O ATOM 0 H ASP A 34 -7.193 1.293 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.681 2.830 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.424 2.307 -8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.982 2.233 -9.490 1.00 0.00 H new ATOM 550 N ARG A 35 -9.392 -0.262 -7.979 1.00 0.00 N ATOM 551 CA ARG A 35 -10.149 -1.463 -8.300 1.00 0.00 C ATOM 552 C ARG A 35 -10.559 -2.188 -7.018 1.00 0.00 C ATOM 553 O ARG A 35 -11.411 -1.706 -6.272 1.00 0.00 O ATOM 554 CB ARG A 35 -9.326 -2.383 -9.204 1.00 0.00 C ATOM 555 CG ARG A 35 -9.109 -1.826 -10.603 1.00 0.00 C ATOM 556 CD ARG A 35 -10.360 -1.952 -11.456 1.00 0.00 C ATOM 557 NE ARG A 35 -10.064 -2.478 -12.786 1.00 0.00 N ATOM 558 CZ ARG A 35 -10.440 -1.883 -13.916 1.00 0.00 C ATOM 559 NH1 ARG A 35 -11.124 -0.748 -13.876 1.00 0.00 N ATOM 560 NH2 ARG A 35 -10.132 -2.426 -15.085 1.00 0.00 N ATOM 0 H ARG A 35 -8.380 -0.385 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.054 -1.176 -8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.357 -2.563 -8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.827 -3.348 -9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.817 -0.778 -10.537 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.286 -2.356 -11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.074 -2.607 -10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.835 -0.975 -11.550 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.540 -3.350 -12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.364 -0.328 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.411 -0.294 -14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.607 -3.300 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.420 -1.970 -15.951 1.00 0.00 H new ATOM 574 N ARG A 36 -9.950 -3.344 -6.764 1.00 0.00 N ATOM 575 CA ARG A 36 -10.248 -4.116 -5.564 1.00 0.00 C ATOM 576 C ARG A 36 -9.575 -3.502 -4.335 1.00 0.00 C ATOM 577 O ARG A 36 -10.122 -2.600 -3.701 1.00 0.00 O ATOM 578 CB ARG A 36 -9.803 -5.569 -5.747 1.00 0.00 C ATOM 579 CG ARG A 36 -10.028 -6.101 -7.154 1.00 0.00 C ATOM 580 CD ARG A 36 -10.069 -7.619 -7.179 1.00 0.00 C ATOM 581 NE ARG A 36 -9.653 -8.157 -8.473 1.00 0.00 N ATOM 582 CZ ARG A 36 -10.391 -8.080 -9.577 1.00 0.00 C ATOM 583 NH1 ARG A 36 -11.578 -7.488 -9.547 1.00 0.00 N ATOM 584 NH2 ARG A 36 -9.941 -8.594 -10.714 1.00 0.00 N ATOM 0 H ARG A 36 -9.248 -3.765 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.326 -4.095 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.744 -5.650 -5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.343 -6.198 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.964 -5.705 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.232 -5.747 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.419 -8.012 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.080 -7.958 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.745 -8.618 -8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.927 -7.090 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.141 -7.431 -10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.028 -9.049 -10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.508 -8.535 -11.560 1.00 0.00 H new ATOM 598 N ILE A 37 -8.388 -4.004 -4.002 1.00 0.00 N ATOM 599 CA ILE A 37 -7.639 -3.521 -2.846 1.00 0.00 C ATOM 600 C ILE A 37 -6.146 -3.770 -3.038 1.00 0.00 C ATOM 601 O ILE A 37 -5.748 -4.709 -3.728 1.00 0.00 O ATOM 602 CB ILE A 37 -8.129 -4.203 -1.545 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.992 -3.232 -0.729 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.963 -4.726 -0.707 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.198 -2.229 0.081 1.00 0.00 C ATOM 0 H ILE A 37 -7.923 -4.749 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.810 -2.448 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.737 -5.063 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.653 -2.693 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.627 -3.806 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.348 -5.198 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.398 -5.457 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.310 -3.897 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.882 -1.580 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.556 -2.757 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.583 -1.626 -0.588 1.00 0.00 H new ATOM 617 N PHE A 38 -5.325 -2.936 -2.413 1.00 0.00 N ATOM 618 CA PHE A 38 -3.880 -3.086 -2.498 1.00 0.00 C ATOM 619 C PHE A 38 -3.374 -3.960 -1.357 1.00 0.00 C ATOM 620 O PHE A 38 -3.956 -3.977 -0.277 1.00 0.00 O ATOM 621 CB PHE A 38 -3.198 -1.717 -2.454 1.00 0.00 C ATOM 622 CG PHE A 38 -1.933 -1.649 -3.260 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.740 -2.127 -2.743 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.938 -1.106 -4.534 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.426 -2.066 -3.484 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.776 -1.041 -5.279 1.00 0.00 C ATOM 627 CZ PHE A 38 0.407 -1.522 -4.753 1.00 0.00 C ATOM 0 H PHE A 38 -5.636 -2.150 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.636 -3.567 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.893 -0.962 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.972 -1.466 -1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.720 -2.552 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.861 -0.729 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.350 -2.443 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.793 -0.615 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.316 -1.473 -5.334 1.00 0.00 H new ATOM 637 N GLY A 39 -2.309 -4.707 -1.616 1.00 0.00 N ATOM 638 CA GLY A 39 -1.742 -5.579 -0.603 1.00 0.00 C ATOM 639 C GLY A 39 -2.783 -6.434 0.094 1.00 0.00 C ATOM 640 O GLY A 39 -3.355 -6.027 1.104 1.00 0.00 O ATOM 0 H GLY A 39 -1.825 -4.725 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.998 -6.227 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.221 -4.974 0.139 1.00 0.00 H new ATOM 644 N ARG A 40 -3.033 -7.621 -0.445 1.00 0.00 N ATOM 645 CA ARG A 40 -3.989 -8.540 0.155 1.00 0.00 C ATOM 646 C ARG A 40 -3.275 -9.475 1.118 1.00 0.00 C ATOM 647 O ARG A 40 -2.762 -10.523 0.722 1.00 0.00 O ATOM 648 CB ARG A 40 -4.705 -9.349 -0.924 1.00 0.00 C ATOM 649 CG ARG A 40 -5.973 -10.033 -0.437 1.00 0.00 C ATOM 650 CD ARG A 40 -7.036 -9.022 -0.032 1.00 0.00 C ATOM 651 NE ARG A 40 -8.377 -9.453 -0.418 1.00 0.00 N ATOM 652 CZ ARG A 40 -8.937 -9.166 -1.590 1.00 0.00 C ATOM 653 NH1 ARG A 40 -8.273 -8.451 -2.488 1.00 0.00 N ATOM 654 NH2 ARG A 40 -10.161 -9.594 -1.863 1.00 0.00 N ATOM 0 H ARG A 40 -2.588 -7.968 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.732 -7.960 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.955 -8.689 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.022 -10.104 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.364 -10.678 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.738 -10.674 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.000 -8.871 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.817 -8.060 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.915 -10.006 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.331 -8.120 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.704 -8.232 -3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.674 -10.144 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.590 -9.374 -2.762 1.00 0.00 H new ATOM 668 N ALA A 41 -3.208 -9.066 2.375 1.00 0.00 N ATOM 669 CA ALA A 41 -2.512 -9.836 3.394 1.00 0.00 C ATOM 670 C ALA A 41 -3.461 -10.755 4.151 1.00 0.00 C ATOM 671 O ALA A 41 -4.374 -10.294 4.833 1.00 0.00 O ATOM 672 CB ALA A 41 -1.804 -8.902 4.360 1.00 0.00 C ATOM 0 H ALA A 41 -3.629 -8.201 2.715 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.775 -10.463 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.286 -9.488 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.082 -8.294 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.536 -8.252 4.840 1.00 0.00 H new ATOM 678 N ASP A 42 -3.226 -12.056 4.041 1.00 0.00 N ATOM 679 CA ASP A 42 -4.038 -13.038 4.745 1.00 0.00 C ATOM 680 C ASP A 42 -3.546 -13.198 6.179 1.00 0.00 C ATOM 681 O ASP A 42 -4.335 -13.406 7.100 1.00 0.00 O ATOM 682 CB ASP A 42 -3.993 -14.386 4.023 1.00 0.00 C ATOM 683 CG ASP A 42 -5.374 -14.891 3.652 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.979 -14.330 2.713 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.850 -15.847 4.300 1.00 0.00 O ATOM 0 H ASP A 42 -2.480 -12.455 3.471 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.069 -12.685 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.389 -14.291 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.500 -15.120 4.661 1.00 0.00 H new ATOM 690 N ASP A 43 -2.229 -13.122 6.351 1.00 0.00 N ATOM 691 CA ASP A 43 -1.617 -13.239 7.669 1.00 0.00 C ATOM 692 C ASP A 43 -1.534 -11.877 8.352 1.00 0.00 C ATOM 693 O ASP A 43 -1.089 -10.900 7.750 1.00 0.00 O ATOM 694 CB ASP A 43 -0.219 -13.848 7.553 1.00 0.00 C ATOM 695 CG ASP A 43 -0.132 -15.231 8.175 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.055 -15.602 8.930 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.860 -15.940 7.905 1.00 0.00 O ATOM 0 H ASP A 43 -1.564 -12.979 5.591 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.242 -13.894 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.061 -13.908 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.502 -13.189 8.038 1.00 0.00 H new ATOM 702 N PHE A 44 -1.962 -11.818 9.610 1.00 0.00 N ATOM 703 CA PHE A 44 -1.914 -10.577 10.374 1.00 0.00 C ATOM 704 C PHE A 44 -0.491 -10.028 10.413 1.00 0.00 C ATOM 705 O PHE A 44 -0.280 -8.817 10.325 1.00 0.00 O ATOM 706 CB PHE A 44 -2.436 -10.808 11.796 1.00 0.00 C ATOM 707 CG PHE A 44 -1.999 -9.764 12.785 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.573 -8.503 12.782 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.013 -10.044 13.718 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.172 -7.540 13.689 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.607 -9.086 14.627 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.187 -7.832 14.613 1.00 0.00 C ATOM 0 H PHE A 44 -2.345 -12.614 10.120 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.553 -9.843 9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.525 -10.837 11.772 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.098 -11.785 12.142 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.343 -8.270 12.062 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.557 -11.023 13.735 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.628 -6.561 13.675 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.163 -9.317 15.348 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.871 -7.082 15.323 1.00 0.00 H new ATOM 722 N GLU A 45 0.480 -10.926 10.541 1.00 0.00 N ATOM 723 CA GLU A 45 1.885 -10.534 10.574 1.00 0.00 C ATOM 724 C GLU A 45 2.313 -9.964 9.227 1.00 0.00 C ATOM 725 O GLU A 45 3.069 -8.993 9.164 1.00 0.00 O ATOM 726 CB GLU A 45 2.764 -11.731 10.938 1.00 0.00 C ATOM 727 CG GLU A 45 3.345 -11.654 12.341 1.00 0.00 C ATOM 728 CD GLU A 45 2.604 -12.536 13.328 1.00 0.00 C ATOM 729 OE1 GLU A 45 2.783 -13.771 13.269 1.00 0.00 O ATOM 730 OE2 GLU A 45 1.849 -11.992 14.159 1.00 0.00 O ATOM 0 H GLU A 45 0.320 -11.930 10.624 1.00 0.00 H new ATOM 0 HA GLU A 45 2.007 -9.763 11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.176 -12.644 10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.580 -11.804 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.394 -11.949 12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.313 -10.621 12.687 1.00 0.00 H new ATOM 737 N GLU A 46 1.819 -10.570 8.152 1.00 0.00 N ATOM 738 CA GLU A 46 2.136 -10.115 6.804 1.00 0.00 C ATOM 739 C GLU A 46 1.502 -8.755 6.539 1.00 0.00 C ATOM 740 O GLU A 46 1.980 -7.986 5.705 1.00 0.00 O ATOM 741 CB GLU A 46 1.646 -11.131 5.769 1.00 0.00 C ATOM 742 CG GLU A 46 2.095 -10.820 4.351 1.00 0.00 C ATOM 743 CD GLU A 46 2.488 -12.062 3.577 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.638 -12.965 3.433 1.00 0.00 O ATOM 745 OE2 GLU A 46 3.646 -12.131 3.113 1.00 0.00 O ATOM 0 H GLU A 46 1.197 -11.378 8.189 1.00 0.00 H new ATOM 0 HA GLU A 46 3.219 -10.020 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.006 -12.122 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.557 -11.168 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.290 -10.307 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.942 -10.134 4.384 1.00 0.00 H new ATOM 752 N ALA A 47 0.417 -8.469 7.250 1.00 0.00 N ATOM 753 CA ALA A 47 -0.280 -7.198 7.109 1.00 0.00 C ATOM 754 C ALA A 47 0.645 -6.029 7.435 1.00 0.00 C ATOM 755 O ALA A 47 0.733 -5.063 6.677 1.00 0.00 O ATOM 756 CB ALA A 47 -1.509 -7.169 8.006 1.00 0.00 C ATOM 0 H ALA A 47 0.001 -9.103 7.932 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.599 -7.097 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.021 -6.214 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.183 -7.978 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.204 -7.295 9.045 1.00 0.00 H new ATOM 762 N SER A 48 1.322 -6.124 8.576 1.00 0.00 N ATOM 763 CA SER A 48 2.234 -5.075 9.022 1.00 0.00 C ATOM 764 C SER A 48 3.369 -4.855 8.025 1.00 0.00 C ATOM 765 O SER A 48 3.713 -3.717 7.706 1.00 0.00 O ATOM 766 CB SER A 48 2.812 -5.430 10.393 1.00 0.00 C ATOM 767 OG SER A 48 1.872 -5.177 11.423 1.00 0.00 O ATOM 0 H SER A 48 1.256 -6.920 9.211 1.00 0.00 H new ATOM 0 HA SER A 48 1.664 -4.149 9.094 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.100 -6.481 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.717 -4.849 10.571 1.00 0.00 H new ATOM 0 HG SER A 48 2.264 -5.413 12.289 1.00 0.00 H new ATOM 773 N GLU A 49 3.954 -5.948 7.540 1.00 0.00 N ATOM 774 CA GLU A 49 5.071 -5.868 6.613 1.00 0.00 C ATOM 775 C GLU A 49 4.637 -5.304 5.262 1.00 0.00 C ATOM 776 O GLU A 49 5.399 -4.597 4.603 1.00 0.00 O ATOM 777 CB GLU A 49 5.695 -7.255 6.439 1.00 0.00 C ATOM 778 CG GLU A 49 4.974 -8.144 5.437 1.00 0.00 C ATOM 779 CD GLU A 49 5.929 -8.963 4.591 1.00 0.00 C ATOM 780 OE1 GLU A 49 6.648 -8.366 3.762 1.00 0.00 O ATOM 781 OE2 GLU A 49 5.960 -10.201 4.758 1.00 0.00 O ATOM 0 H GLU A 49 3.670 -6.899 7.776 1.00 0.00 H new ATOM 0 HA GLU A 49 5.814 -5.187 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.731 -7.137 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.712 -7.757 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.301 -8.815 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.357 -7.525 4.786 1.00 0.00 H new ATOM 788 N LEU A 50 3.411 -5.615 4.861 1.00 0.00 N ATOM 789 CA LEU A 50 2.878 -5.134 3.592 1.00 0.00 C ATOM 790 C LEU A 50 2.665 -3.624 3.635 1.00 0.00 C ATOM 791 O LEU A 50 3.053 -2.905 2.713 1.00 0.00 O ATOM 792 CB LEU A 50 1.562 -5.841 3.265 1.00 0.00 C ATOM 793 CG LEU A 50 1.599 -6.730 2.021 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.622 -7.844 2.191 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.222 -7.307 1.737 1.00 0.00 C ATOM 0 H LEU A 50 2.767 -6.198 5.396 1.00 0.00 H new ATOM 0 HA LEU A 50 3.603 -5.360 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.272 -6.451 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.785 -5.088 3.132 1.00 0.00 H new ATOM 0 HG LEU A 50 1.897 -6.118 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.634 -8.466 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.610 -7.410 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.355 -8.454 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.268 -7.937 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.105 -7.904 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.485 -6.495 1.570 1.00 0.00 H new ATOM 807 N VAL A 51 2.079 -3.150 4.728 1.00 0.00 N ATOM 808 CA VAL A 51 1.820 -1.727 4.909 1.00 0.00 C ATOM 809 C VAL A 51 3.124 -0.937 4.979 1.00 0.00 C ATOM 810 O VAL A 51 3.232 0.149 4.407 1.00 0.00 O ATOM 811 CB VAL A 51 1.009 -1.468 6.191 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.832 0.023 6.430 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.340 -2.168 6.121 1.00 0.00 C ATOM 0 H VAL A 51 1.773 -3.734 5.506 1.00 0.00 H new ATOM 0 HA VAL A 51 1.243 -1.395 4.046 1.00 0.00 H new ATOM 0 HB VAL A 51 1.565 -1.879 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.256 0.179 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.810 0.493 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.303 0.467 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.899 -1.973 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.901 -1.791 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.188 -3.242 6.011 1.00 0.00 H new ATOM 823 N ARG A 52 4.114 -1.487 5.678 1.00 0.00 N ATOM 824 CA ARG A 52 5.408 -0.826 5.811 1.00 0.00 C ATOM 825 C ARG A 52 6.064 -0.673 4.447 1.00 0.00 C ATOM 826 O ARG A 52 6.641 0.368 4.138 1.00 0.00 O ATOM 827 CB ARG A 52 6.323 -1.619 6.748 1.00 0.00 C ATOM 828 CG ARG A 52 7.659 -0.940 7.009 1.00 0.00 C ATOM 829 CD ARG A 52 8.273 -1.402 8.321 1.00 0.00 C ATOM 830 NE ARG A 52 9.693 -1.068 8.407 1.00 0.00 N ATOM 831 CZ ARG A 52 10.547 -1.676 9.224 1.00 0.00 C ATOM 832 NH1 ARG A 52 10.128 -2.649 10.023 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.822 -1.313 9.242 1.00 0.00 N ATOM 0 H ARG A 52 4.045 -2.384 6.158 1.00 0.00 H new ATOM 0 HA ARG A 52 5.247 0.164 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.811 -1.773 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.503 -2.605 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.344 -1.156 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.520 0.141 7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.741 -0.941 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.147 -2.480 8.421 1.00 0.00 H new ATOM 0 HE ARG A 52 10.049 -0.325 7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.148 -2.932 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.786 -3.114 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.148 -0.566 8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.476 -1.780 9.869 1.00 0.00 H new ATOM 847 N LYS A 53 5.960 -1.712 3.628 1.00 0.00 N ATOM 848 CA LYS A 53 6.494 -1.664 2.275 1.00 0.00 C ATOM 849 C LYS A 53 5.680 -0.685 1.439 1.00 0.00 C ATOM 850 O LYS A 53 6.207 -0.019 0.547 1.00 0.00 O ATOM 851 CB LYS A 53 6.464 -3.056 1.639 1.00 0.00 C ATOM 852 CG LYS A 53 7.096 -3.110 0.258 1.00 0.00 C ATOM 853 CD LYS A 53 6.813 -4.433 -0.435 1.00 0.00 C ATOM 854 CE LYS A 53 7.679 -4.611 -1.671 1.00 0.00 C ATOM 855 NZ LYS A 53 8.925 -5.370 -1.372 1.00 0.00 N ATOM 0 H LYS A 53 5.513 -2.594 3.877 1.00 0.00 H new ATOM 0 HA LYS A 53 7.530 -1.327 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.983 -3.756 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.429 -3.392 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.713 -2.291 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.173 -2.967 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.994 -5.254 0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.761 -4.480 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.111 -5.134 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.938 -3.633 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.488 -5.470 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.480 -4.858 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.678 -6.313 -1.009 1.00 0.00 H new ATOM 869 N LEU A 54 4.386 -0.612 1.741 1.00 0.00 N ATOM 870 CA LEU A 54 3.481 0.294 1.047 1.00 0.00 C ATOM 871 C LEU A 54 3.796 1.749 1.383 1.00 0.00 C ATOM 872 O LEU A 54 3.300 2.668 0.730 1.00 0.00 O ATOM 873 CB LEU A 54 2.030 -0.024 1.422 1.00 0.00 C ATOM 874 CG LEU A 54 1.180 -0.631 0.301 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.990 0.372 -0.828 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.811 -1.914 -0.219 1.00 0.00 C ATOM 0 H LEU A 54 3.941 -1.174 2.467 1.00 0.00 H new ATOM 0 HA LEU A 54 3.617 0.153 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.033 -0.713 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.551 0.894 1.762 1.00 0.00 H new ATOM 0 HG LEU A 54 0.200 -0.877 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.384 -0.077 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.488 1.260 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.962 0.652 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.191 -2.328 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.806 -1.698 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.889 -2.636 0.594 1.00 0.00 H new ATOM 888 N GLN A 55 4.617 1.952 2.412 1.00 0.00 N ATOM 889 CA GLN A 55 4.984 3.298 2.844 1.00 0.00 C ATOM 890 C GLN A 55 5.824 4.005 1.785 1.00 0.00 C ATOM 891 O GLN A 55 5.867 3.583 0.629 1.00 0.00 O ATOM 892 CB GLN A 55 5.754 3.242 4.166 1.00 0.00 C ATOM 893 CG GLN A 55 4.857 3.197 5.392 1.00 0.00 C ATOM 894 CD GLN A 55 5.625 3.386 6.685 1.00 0.00 C ATOM 895 OE1 GLN A 55 6.500 2.587 7.023 1.00 0.00 O ATOM 896 NE2 GLN A 55 5.301 4.445 7.418 1.00 0.00 N ATOM 0 H GLN A 55 5.039 1.203 2.961 1.00 0.00 H new ATOM 0 HA GLN A 55 4.064 3.865 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.398 2.362 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.405 4.113 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.096 3.973 5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.335 2.241 5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.570 5.081 7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.783 4.622 8.299 1.00 0.00 H new