USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 322 hydrogens (31 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 NoAdj-H: A 11 NLE HN2 : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 11 NLE H : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 22 ABA HN2 : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 22 ABA H : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 26 NLE HN2 : A 26 NLE N : A 25 LEU C :(H bumps) USER MOD Single : A 1 VAL N :NH3+ -177:sc= 0 (180deg=-0.00633) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.128 K(o=0.13,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.343 8.694 -6.843 1.00 0.00 N ATOM 2 CA VAL A 1 17.128 8.153 -5.468 1.00 0.00 C ATOM 3 C VAL A 1 18.014 8.861 -4.437 1.00 0.00 C ATOM 4 O VAL A 1 19.071 9.390 -4.782 1.00 0.00 O ATOM 5 CB VAL A 1 17.322 6.620 -5.370 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.202 5.864 -6.093 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.676 6.118 -5.896 1.00 0.00 C ATOM 0 H1 VAL A 1 16.691 8.227 -7.506 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.164 9.718 -6.845 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.324 8.514 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 1 16.082 8.358 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 1 17.292 6.413 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.371 4.791 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.242 6.119 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.195 6.144 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.728 5.034 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.780 6.385 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.482 6.578 -5.324 1.00 0.00 H new ATOM 19 N VAL A 2 17.599 8.839 -3.163 1.00 0.00 N ATOM 20 CA VAL A 2 18.348 9.373 -1.995 1.00 0.00 C ATOM 21 C VAL A 2 18.461 8.337 -0.857 1.00 0.00 C ATOM 22 O VAL A 2 18.672 8.684 0.303 1.00 0.00 O ATOM 23 CB VAL A 2 17.740 10.706 -1.493 1.00 0.00 C ATOM 24 CG1 VAL A 2 17.812 11.801 -2.563 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.278 10.572 -1.035 1.00 0.00 C ATOM 0 H VAL A 2 16.700 8.436 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 2 19.362 9.582 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 2 18.348 10.983 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.376 12.720 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.853 11.979 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.258 11.483 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.913 11.541 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.666 10.225 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.217 9.855 -0.217 1.00 0.00 H new ATOM 35 N PHE A 3 18.259 7.053 -1.184 1.00 0.00 N ATOM 36 CA PHE A 3 18.069 5.921 -0.262 1.00 0.00 C ATOM 37 C PHE A 3 17.163 6.225 0.954 1.00 0.00 C ATOM 38 O PHE A 3 17.444 5.847 2.093 1.00 0.00 O ATOM 39 CB PHE A 3 19.416 5.257 0.070 1.00 0.00 C ATOM 40 CG PHE A 3 19.279 3.793 0.457 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.523 3.368 1.778 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.881 2.849 -0.513 1.00 0.00 C ATOM 43 CE1 PHE A 3 19.362 2.014 2.127 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.715 1.497 -0.162 1.00 0.00 C ATOM 45 CZ PHE A 3 18.955 1.079 1.158 1.00 0.00 C ATOM 0 H PHE A 3 18.221 6.757 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 3 17.480 5.171 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.077 5.338 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.890 5.800 0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.834 4.083 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.703 3.166 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.551 1.692 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.403 0.780 -0.907 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.827 0.041 1.428 1.00 0.00 H new ATOM 55 N TYR A 4 16.042 6.906 0.680 1.00 0.00 N ATOM 56 CA TYR A 4 14.866 7.029 1.559 1.00 0.00 C ATOM 57 C TYR A 4 15.107 7.729 2.915 1.00 0.00 C ATOM 58 O TYR A 4 14.309 7.572 3.842 1.00 0.00 O ATOM 59 CB TYR A 4 14.188 5.650 1.684 1.00 0.00 C ATOM 60 CG TYR A 4 14.071 4.906 0.362 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.158 5.349 -0.616 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.936 3.828 0.080 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.116 4.723 -1.878 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.898 3.201 -1.181 1.00 0.00 C ATOM 65 CZ TYR A 4 13.990 3.650 -2.165 1.00 0.00 C ATOM 66 OH TYR A 4 13.955 3.062 -3.393 1.00 0.00 O ATOM 0 H TYR A 4 15.923 7.409 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 4 14.182 7.727 1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.754 5.038 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.192 5.781 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.490 6.169 -0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 4 15.629 3.482 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.416 5.063 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.563 2.377 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 4 14.618 2.342 -3.430 1.00 0.00 H new ATOM 76 N VAL A 5 16.168 8.541 3.027 1.00 0.00 N ATOM 77 CA VAL A 5 16.567 9.279 4.249 1.00 0.00 C ATOM 78 C VAL A 5 15.465 10.136 4.894 1.00 0.00 C ATOM 79 O VAL A 5 15.523 10.384 6.099 1.00 0.00 O ATOM 80 CB VAL A 5 17.816 10.155 4.009 1.00 0.00 C ATOM 81 CG1 VAL A 5 19.060 9.289 3.778 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.654 11.135 2.837 1.00 0.00 C ATOM 0 H VAL A 5 16.799 8.713 2.244 1.00 0.00 H new ATOM 0 HA VAL A 5 16.792 8.484 4.960 1.00 0.00 H new ATOM 0 HB VAL A 5 17.939 10.746 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.925 9.931 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 5 19.236 8.664 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.905 8.656 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.567 11.720 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.463 10.577 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.817 11.804 3.035 1.00 0.00 H new ATOM 92 N ALA A 6 14.449 10.554 4.129 1.00 0.00 N ATOM 93 CA ALA A 6 13.270 11.262 4.634 1.00 0.00 C ATOM 94 C ALA A 6 12.033 10.350 4.755 1.00 0.00 C ATOM 95 O ALA A 6 11.372 10.354 5.794 1.00 0.00 O ATOM 96 CB ALA A 6 13.006 12.465 3.718 1.00 0.00 C ATOM 0 H ALA A 6 14.425 10.405 3.120 1.00 0.00 H new ATOM 0 HA ALA A 6 13.470 11.604 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.131 13.009 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.873 13.126 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.826 12.116 2.701 1.00 0.00 H new ATOM 102 N LEU A 7 11.738 9.524 3.742 1.00 0.00 N ATOM 103 CA LEU A 7 10.560 8.640 3.719 1.00 0.00 C ATOM 104 C LEU A 7 10.561 7.657 4.907 1.00 0.00 C ATOM 105 O LEU A 7 9.559 7.509 5.606 1.00 0.00 O ATOM 106 CB LEU A 7 10.503 7.923 2.351 1.00 0.00 C ATOM 107 CG LEU A 7 9.092 7.547 1.850 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.206 6.942 0.450 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.353 6.535 2.730 1.00 0.00 C ATOM 0 H LEU A 7 12.316 9.448 2.905 1.00 0.00 H new ATOM 0 HA LEU A 7 9.654 9.235 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.974 8.564 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.101 7.014 2.413 1.00 0.00 H new ATOM 0 HG LEU A 7 8.516 8.472 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.214 6.673 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.654 7.671 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.832 6.050 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.371 6.330 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.927 5.610 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.234 6.944 3.733 1.00 0.00 H new ATOM 121 N THR A 8 11.708 7.047 5.208 1.00 0.00 N ATOM 122 CA THR A 8 11.878 6.118 6.341 1.00 0.00 C ATOM 123 C THR A 8 11.842 6.818 7.715 1.00 0.00 C ATOM 124 O THR A 8 11.675 6.148 8.736 1.00 0.00 O ATOM 125 CB THR A 8 13.176 5.302 6.156 1.00 0.00 C ATOM 126 OG1 THR A 8 13.170 4.709 4.872 1.00 0.00 O ATOM 127 CG2 THR A 8 13.353 4.137 7.132 1.00 0.00 C ATOM 0 H THR A 8 12.562 7.182 4.667 1.00 0.00 H new ATOM 0 HA THR A 8 11.023 5.442 6.338 1.00 0.00 H new ATOM 0 HB THR A 8 13.979 6.020 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.992 4.191 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.293 3.626 6.922 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.367 4.517 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.526 3.437 7.017 1.00 0.00 H new ATOM 135 N ALA A 9 11.939 8.155 7.770 1.00 0.00 N ATOM 136 CA ALA A 9 12.147 8.920 9.005 1.00 0.00 C ATOM 137 C ALA A 9 11.006 9.914 9.305 1.00 0.00 C ATOM 138 O ALA A 9 10.197 9.655 10.198 1.00 0.00 O ATOM 139 CB ALA A 9 13.519 9.604 8.914 1.00 0.00 C ATOM 0 H ALA A 9 11.874 8.744 6.940 1.00 0.00 H new ATOM 0 HA ALA A 9 12.133 8.237 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.699 10.181 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.296 8.848 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.537 10.270 8.051 1.00 0.00 H new ATOM 145 N VAL A 10 10.885 11.018 8.555 1.00 0.00 N ATOM 146 CA VAL A 10 9.820 12.030 8.748 1.00 0.00 C ATOM 147 C VAL A 10 8.446 11.587 8.221 1.00 0.00 C ATOM 148 O VAL A 10 7.431 12.181 8.589 1.00 0.00 O ATOM 149 CB VAL A 10 10.198 13.412 8.176 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.345 14.033 8.982 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.600 13.384 6.698 1.00 0.00 C ATOM 0 H VAL A 10 11.523 11.242 7.791 1.00 0.00 H new ATOM 0 HA VAL A 10 9.731 12.127 9.830 1.00 0.00 H new ATOM 0 HB VAL A 10 9.293 14.014 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.598 15.007 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.037 14.153 10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.217 13.381 8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.851 14.393 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.466 12.734 6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.770 13.005 6.102 1.00 0.00 H new HETATM 161 N NLE A 11 8.402 10.506 7.432 1.00 0.00 N HETATM 162 CA NLE A 11 7.177 9.800 7.016 1.00 0.00 C HETATM 163 C NLE A 11 7.115 8.357 7.564 1.00 0.00 C HETATM 164 O NLE A 11 6.277 7.573 7.123 1.00 0.00 O HETATM 165 CB NLE A 11 7.031 9.825 5.482 1.00 0.00 C HETATM 166 CG NLE A 11 6.903 11.235 4.884 1.00 0.00 C HETATM 167 CD NLE A 11 6.897 11.231 3.345 1.00 0.00 C HETATM 168 CE NLE A 11 5.753 10.421 2.722 1.00 0.00 C HETATM 0 HG3 NLE A 11 5.984 11.696 5.245 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.729 11.851 5.238 1.00 0.00 H new HETATM 0 HE3 NLE A 11 5.826 9.382 3.044 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.797 10.834 3.044 1.00 0.00 H new HETATM 0 HE1 NLE A 11 5.822 10.470 1.635 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.834 12.260 2.991 1.00 0.00 H new HETATM 0 HD2 NLE A 11 7.846 10.830 2.990 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.895 9.331 5.038 1.00 0.00 H new HETATM 0 HB2 NLE A 11 6.153 9.243 5.202 1.00 0.00 H new HETATM 0 HA NLE A 11 6.332 10.333 7.451 1.00 0.00 H new ATOM 180 N VAL A 12 7.980 8.006 8.529 1.00 0.00 N ATOM 181 CA VAL A 12 8.036 6.720 9.268 1.00 0.00 C ATOM 182 C VAL A 12 7.809 5.444 8.426 1.00 0.00 C ATOM 183 O VAL A 12 7.194 4.479 8.883 1.00 0.00 O ATOM 184 CB VAL A 12 7.165 6.759 10.550 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.652 7.847 11.516 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.668 6.982 10.294 1.00 0.00 C ATOM 0 H VAL A 12 8.708 8.649 8.839 1.00 0.00 H new ATOM 0 HA VAL A 12 9.079 6.628 9.570 1.00 0.00 H new ATOM 0 HB VAL A 12 7.280 5.767 10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.023 7.851 12.406 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.684 7.644 11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.596 8.820 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.134 6.995 11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.524 7.934 9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.281 6.175 9.672 1.00 0.00 H new ATOM 196 N ALA A 13 8.309 5.430 7.184 1.00 0.00 N ATOM 197 CA ALA A 13 8.113 4.369 6.189 1.00 0.00 C ATOM 198 C ALA A 13 6.629 4.026 5.905 1.00 0.00 C ATOM 199 O ALA A 13 6.285 2.862 5.696 1.00 0.00 O ATOM 200 CB ALA A 13 8.982 3.151 6.554 1.00 0.00 C ATOM 0 H ALA A 13 8.887 6.192 6.830 1.00 0.00 H new ATOM 0 HA ALA A 13 8.455 4.750 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.835 2.364 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.032 3.444 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.695 2.781 7.538 1.00 0.00 H new ATOM 206 N VAL A 14 5.743 5.034 5.881 1.00 0.00 N ATOM 207 CA VAL A 14 4.286 4.912 5.632 1.00 0.00 C ATOM 208 C VAL A 14 3.911 4.026 4.429 1.00 0.00 C ATOM 209 O VAL A 14 2.896 3.329 4.466 1.00 0.00 O ATOM 210 CB VAL A 14 3.628 6.307 5.542 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.079 7.114 4.316 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.098 6.231 5.554 1.00 0.00 C ATOM 0 H VAL A 14 6.028 6.000 6.041 1.00 0.00 H new ATOM 0 HA VAL A 14 3.883 4.384 6.496 1.00 0.00 H new ATOM 0 HB VAL A 14 3.969 6.828 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.579 8.083 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.158 7.263 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.820 6.570 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.683 7.237 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.756 5.642 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.764 5.760 6.479 1.00 0.00 H new ATOM 222 N ALA A 15 4.762 3.983 3.397 1.00 0.00 N ATOM 223 CA ALA A 15 4.614 3.118 2.226 1.00 0.00 C ATOM 224 C ALA A 15 4.455 1.618 2.562 1.00 0.00 C ATOM 225 O ALA A 15 3.751 0.910 1.841 1.00 0.00 O ATOM 226 CB ALA A 15 5.810 3.361 1.298 1.00 0.00 C ATOM 0 H ALA A 15 5.597 4.568 3.355 1.00 0.00 H new ATOM 0 HA ALA A 15 3.680 3.383 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.721 2.726 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.826 4.407 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.734 3.123 1.825 1.00 0.00 H new ATOM 232 N LEU A 16 5.038 1.131 3.667 1.00 0.00 N ATOM 233 CA LEU A 16 4.859 -0.242 4.164 1.00 0.00 C ATOM 234 C LEU A 16 3.392 -0.543 4.512 1.00 0.00 C ATOM 235 O LEU A 16 2.863 -1.592 4.149 1.00 0.00 O ATOM 236 CB LEU A 16 5.763 -0.432 5.399 1.00 0.00 C ATOM 237 CG LEU A 16 5.646 -1.804 6.097 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.049 -2.962 5.184 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.544 -1.829 7.334 1.00 0.00 C ATOM 0 H LEU A 16 5.659 1.691 4.252 1.00 0.00 H new ATOM 0 HA LEU A 16 5.140 -0.943 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.800 -0.284 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.528 0.347 6.124 1.00 0.00 H new ATOM 0 HG LEU A 16 4.598 -1.934 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.948 -3.903 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.402 -2.976 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.085 -2.834 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.460 -2.798 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.579 -1.662 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.234 -1.044 8.024 1.00 0.00 H new ATOM 251 N TYR A 17 2.726 0.384 5.200 1.00 0.00 N ATOM 252 CA TYR A 17 1.341 0.237 5.654 1.00 0.00 C ATOM 253 C TYR A 17 0.339 0.511 4.524 1.00 0.00 C ATOM 254 O TYR A 17 -0.703 -0.143 4.458 1.00 0.00 O ATOM 255 CB TYR A 17 1.101 1.157 6.860 1.00 0.00 C ATOM 256 CG TYR A 17 2.121 0.977 7.974 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.947 -0.022 8.952 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.273 1.785 8.001 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.926 -0.210 9.949 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.253 1.606 8.994 1.00 0.00 C ATOM 261 CZ TYR A 17 4.080 0.604 9.974 1.00 0.00 C ATOM 262 OH TYR A 17 5.021 0.418 10.942 1.00 0.00 O ATOM 0 H TYR A 17 3.142 1.277 5.463 1.00 0.00 H new ATOM 0 HA TYR A 17 1.180 -0.796 5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.120 2.194 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.104 0.969 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.064 -0.644 8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.406 2.551 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.793 -0.979 10.696 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.133 2.232 9.007 1.00 0.00 H new ATOM 0 HH TYR A 17 5.751 1.059 10.816 1.00 0.00 H new ATOM 272 N ALA A 18 0.682 1.407 3.588 1.00 0.00 N ATOM 273 CA ALA A 18 -0.047 1.577 2.330 1.00 0.00 C ATOM 274 C ALA A 18 -0.005 0.294 1.478 1.00 0.00 C ATOM 275 O ALA A 18 -1.053 -0.237 1.116 1.00 0.00 O ATOM 276 CB ALA A 18 0.530 2.786 1.582 1.00 0.00 C ATOM 0 H ALA A 18 1.479 2.037 3.686 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.100 1.765 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.006 2.922 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.420 3.680 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.587 2.616 1.376 1.00 0.00 H new ATOM 282 N TYR A 19 1.181 -0.280 1.235 1.00 0.00 N ATOM 283 CA TYR A 19 1.339 -1.597 0.599 1.00 0.00 C ATOM 284 C TYR A 19 0.581 -2.694 1.365 1.00 0.00 C ATOM 285 O TYR A 19 -0.091 -3.528 0.762 1.00 0.00 O ATOM 286 CB TYR A 19 2.837 -1.918 0.478 1.00 0.00 C ATOM 287 CG TYR A 19 3.156 -3.212 -0.248 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.280 -4.417 0.472 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.348 -3.205 -1.645 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.588 -5.616 -0.203 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.663 -4.399 -2.323 1.00 0.00 C ATOM 292 CZ TYR A 19 3.781 -5.608 -1.602 1.00 0.00 C ATOM 293 OH TYR A 19 4.081 -6.768 -2.248 1.00 0.00 O ATOM 0 H TYR A 19 2.068 0.161 1.477 1.00 0.00 H new ATOM 0 HA TYR A 19 0.901 -1.565 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.329 -1.096 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.266 -1.965 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.139 -4.422 1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.253 -2.281 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.676 -6.540 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.814 -4.390 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 19 4.181 -6.592 -3.207 1.00 0.00 H new ATOM 303 N GLY A 20 0.585 -2.631 2.700 1.00 0.00 N ATOM 304 CA GLY A 20 -0.160 -3.508 3.611 1.00 0.00 C ATOM 305 C GLY A 20 -1.694 -3.499 3.499 1.00 0.00 C ATOM 306 O GLY A 20 -2.341 -4.258 4.223 1.00 0.00 O ATOM 0 H GLY A 20 1.135 -1.933 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.184 -4.530 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.106 -3.237 4.633 1.00 0.00 H new ATOM 310 N LEU A 21 -2.282 -2.688 2.605 1.00 0.00 N ATOM 311 CA LEU A 21 -3.714 -2.733 2.257 1.00 0.00 C ATOM 312 C LEU A 21 -4.011 -2.520 0.759 1.00 0.00 C ATOM 313 O LEU A 21 -5.006 -3.041 0.254 1.00 0.00 O ATOM 314 CB LEU A 21 -4.492 -1.774 3.184 1.00 0.00 C ATOM 315 CG LEU A 21 -4.288 -0.264 2.937 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.338 0.309 1.981 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.406 0.504 4.254 1.00 0.00 C ATOM 0 H LEU A 21 -1.768 -1.970 2.094 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.068 -3.749 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.555 -1.995 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.212 -1.993 4.214 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.297 -0.151 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.156 1.374 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.275 -0.204 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.332 0.165 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.260 1.568 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.395 0.342 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.647 0.150 4.951 1.00 0.00 H new HETATM 329 N ABA A 22 -3.144 -1.819 0.020 1.00 0.00 N HETATM 330 CA ABA A 22 -3.222 -1.677 -1.442 1.00 0.00 C HETATM 331 C ABA A 22 -2.660 -2.902 -2.194 1.00 0.00 C HETATM 332 O ABA A 22 -2.937 -3.072 -3.382 1.00 0.00 O HETATM 333 CB ABA A 22 -2.486 -0.400 -1.883 1.00 0.00 C HETATM 334 CG ABA A 22 -3.133 0.877 -1.333 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.126 0.848 -0.243 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.161 0.946 -1.688 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.572 1.746 -1.676 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.469 -0.353 -2.972 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.449 -0.450 -1.549 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.278 -1.606 -1.702 1.00 0.00 H new ATOM 342 N PHE A 23 -1.904 -3.768 -1.506 1.00 0.00 N ATOM 343 CA PHE A 23 -1.294 -4.992 -2.044 1.00 0.00 C ATOM 344 C PHE A 23 -1.505 -6.200 -1.119 1.00 0.00 C ATOM 345 O PHE A 23 -1.897 -7.263 -1.602 1.00 0.00 O ATOM 346 CB PHE A 23 0.207 -4.751 -2.292 1.00 0.00 C ATOM 347 CG PHE A 23 0.610 -4.754 -3.752 1.00 0.00 C ATOM 348 CD1 PHE A 23 1.021 -5.953 -4.368 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.600 -3.555 -4.491 1.00 0.00 C ATOM 350 CE1 PHE A 23 1.427 -5.950 -5.715 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.007 -3.554 -5.838 1.00 0.00 C ATOM 352 CZ PHE A 23 1.421 -4.751 -6.449 1.00 0.00 C ATOM 0 H PHE A 23 -1.692 -3.629 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.787 -5.229 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.486 -3.793 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.777 -5.519 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.024 -6.875 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.280 -2.636 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.743 -6.869 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.001 -2.634 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.734 -4.749 -7.483 1.00 0.00 H new ATOM 362 N ARG A 24 -1.319 -6.030 0.203 1.00 0.00 N ATOM 363 CA ARG A 24 -1.539 -7.017 1.290 1.00 0.00 C ATOM 364 C ARG A 24 -1.055 -8.452 0.993 1.00 0.00 C ATOM 365 O ARG A 24 -1.676 -9.433 1.400 1.00 0.00 O ATOM 366 CB ARG A 24 -2.982 -6.893 1.845 1.00 0.00 C ATOM 367 CG ARG A 24 -4.158 -6.905 0.851 1.00 0.00 C ATOM 368 CD ARG A 24 -4.442 -8.258 0.191 1.00 0.00 C ATOM 369 NE ARG A 24 -5.598 -8.151 -0.720 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.588 -7.871 -2.010 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.491 -7.695 -2.691 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.720 -7.751 -2.637 1.00 0.00 N ATOM 0 H ARG A 24 -0.988 -5.138 0.572 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.866 -6.751 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.137 -7.710 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.039 -5.965 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.057 -6.578 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.959 -6.172 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.564 -8.592 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.641 -9.009 0.956 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.515 -8.313 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.585 -7.772 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.538 -7.480 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.598 -7.873 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.730 -7.535 -3.634 1.00 0.00 H new ATOM 386 N LEU A 25 0.053 -8.564 0.253 1.00 0.00 N ATOM 387 CA LEU A 25 0.553 -9.813 -0.338 1.00 0.00 C ATOM 388 C LEU A 25 1.137 -10.810 0.683 1.00 0.00 C ATOM 389 O LEU A 25 1.028 -12.023 0.492 1.00 0.00 O ATOM 390 CB LEU A 25 1.606 -9.424 -1.397 1.00 0.00 C ATOM 391 CG LEU A 25 2.138 -10.587 -2.258 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.036 -11.246 -3.091 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.209 -10.069 -3.217 1.00 0.00 C ATOM 0 H LEU A 25 0.647 -7.762 0.041 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.289 -10.345 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.172 -8.674 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.449 -8.954 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 25 2.546 -11.329 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.462 -12.059 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.267 -11.642 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.594 -10.507 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.583 -10.893 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.778 -9.307 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.031 -9.637 -2.646 1.00 0.00 H new HETATM 405 N NLE A 26 1.760 -10.304 1.753 1.00 0.00 N HETATM 406 CA NLE A 26 2.467 -11.076 2.785 1.00 0.00 C HETATM 407 C NLE A 26 2.503 -10.318 4.123 1.00 0.00 C HETATM 408 O NLE A 26 2.350 -9.095 4.148 1.00 0.00 O HETATM 409 CB NLE A 26 3.894 -11.408 2.297 1.00 0.00 C HETATM 410 CG NLE A 26 4.805 -10.176 2.140 1.00 0.00 C HETATM 411 CD NLE A 26 6.136 -10.552 1.475 1.00 0.00 C HETATM 412 CE NLE A 26 7.070 -9.342 1.392 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.298 -9.419 1.542 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.996 -9.734 3.118 1.00 0.00 H new HETATM 0 HE3 NLE A 26 6.596 -8.556 0.804 1.00 0.00 H new HETATM 0 HE2 NLE A 26 7.274 -8.971 2.396 1.00 0.00 H new HETATM 0 HE1 NLE A 26 8.006 -9.637 0.917 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.617 -11.349 2.042 1.00 0.00 H new HETATM 0 HD2 NLE A 26 5.949 -10.941 0.474 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.355 -12.101 3.001 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.829 -11.923 1.339 1.00 0.00 H new HETATM 0 HA NLE A 26 1.926 -12.007 2.957 1.00 0.00 H new HETATM 0 H NLE A 26 1.371 -9.388 1.978 1.00 0.00 H new ATOM 424 N GLY A 27 2.716 -11.033 5.234 1.00 0.00 N ATOM 425 CA GLY A 27 2.660 -10.424 6.569 1.00 0.00 C ATOM 426 C GLY A 27 3.013 -11.320 7.757 1.00 0.00 C ATOM 427 O GLY A 27 2.407 -11.183 8.819 1.00 0.00 O ATOM 0 H GLY A 27 2.928 -12.031 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.334 -9.567 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.652 -10.038 6.723 1.00 0.00 H new ATOM 431 N ALA A 28 4.005 -12.207 7.620 1.00 0.00 N ATOM 432 CA ALA A 28 4.580 -12.939 8.759 1.00 0.00 C ATOM 433 C ALA A 28 5.166 -12.007 9.853 1.00 0.00 C ATOM 434 O ALA A 28 5.252 -12.395 11.022 1.00 0.00 O ATOM 435 CB ALA A 28 5.638 -13.914 8.227 1.00 0.00 C ATOM 0 H ALA A 28 4.431 -12.438 6.723 1.00 0.00 H new ATOM 0 HA ALA A 28 3.778 -13.488 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.075 -14.466 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.172 -14.613 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.420 -13.357 7.711 1.00 0.00 H new ATOM 441 N SER A 29 5.520 -10.768 9.477 1.00 0.00 N ATOM 442 CA SER A 29 6.080 -9.718 10.347 1.00 0.00 C ATOM 443 C SER A 29 5.560 -8.307 9.983 1.00 0.00 C ATOM 444 O SER A 29 6.254 -7.312 10.215 1.00 0.00 O ATOM 445 CB SER A 29 7.621 -9.750 10.281 1.00 0.00 C ATOM 446 OG SER A 29 8.153 -11.032 10.588 1.00 0.00 O ATOM 0 H SER A 29 5.419 -10.455 8.512 1.00 0.00 H new ATOM 0 HA SER A 29 5.749 -9.928 11.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.945 -9.456 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.026 -9.016 10.977 1.00 0.00 H new ATOM 0 HG SER A 29 9.131 -11.002 10.531 1.00 0.00 H new ATOM 452 N GLY A 30 4.371 -8.191 9.369 1.00 0.00 N ATOM 453 CA GLY A 30 3.861 -6.914 8.840 1.00 0.00 C ATOM 454 C GLY A 30 2.374 -6.885 8.434 1.00 0.00 C ATOM 455 O GLY A 30 1.686 -7.911 8.487 1.00 0.00 O ATOM 0 H GLY A 30 3.737 -8.977 9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.025 -6.143 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.458 -6.642 7.970 1.00 0.00 H new ATOM 459 N PRO A 31 1.858 -5.702 8.037 1.00 0.00 N ATOM 460 CA PRO A 31 0.433 -5.463 7.780 1.00 0.00 C ATOM 461 C PRO A 31 -0.090 -6.229 6.552 1.00 0.00 C ATOM 462 O PRO A 31 0.484 -6.147 5.465 1.00 0.00 O ATOM 463 CB PRO A 31 0.305 -3.942 7.610 1.00 0.00 C ATOM 464 CG PRO A 31 1.693 -3.504 7.139 1.00 0.00 C ATOM 465 CD PRO A 31 2.620 -4.471 7.866 1.00 0.00 C ATOM 0 HA PRO A 31 -0.181 -5.832 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.463 -3.685 6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.030 -3.457 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.796 -3.582 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.901 -2.468 7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.528 -4.650 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.929 -4.066 8.830 1.00 0.00 H new ATOM 473 N ASN A 32 -1.186 -6.981 6.729 1.00 0.00 N ATOM 474 CA ASN A 32 -1.754 -7.869 5.696 1.00 0.00 C ATOM 475 C ASN A 32 -3.273 -8.151 5.828 1.00 0.00 C ATOM 476 O ASN A 32 -3.798 -9.017 5.125 1.00 0.00 O ATOM 477 CB ASN A 32 -0.938 -9.179 5.691 1.00 0.00 C ATOM 478 CG ASN A 32 -1.172 -10.054 6.916 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.923 -11.018 6.884 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.550 -9.763 8.036 1.00 0.00 N ATOM 0 H ASN A 32 -1.712 -6.992 7.603 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.673 -7.346 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.188 -9.749 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.122 -8.935 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.696 -10.339 8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.079 -8.961 8.076 1.00 0.00 H new ATOM 487 N LYS A 33 -3.988 -7.449 6.721 1.00 0.00 N ATOM 488 CA LYS A 33 -5.366 -7.779 7.161 1.00 0.00 C ATOM 489 C LYS A 33 -6.398 -6.674 6.855 1.00 0.00 C ATOM 490 O LYS A 33 -7.473 -6.636 7.459 1.00 0.00 O ATOM 491 CB LYS A 33 -5.346 -8.162 8.659 1.00 0.00 C ATOM 492 CG LYS A 33 -4.519 -9.414 9.007 1.00 0.00 C ATOM 493 CD LYS A 33 -5.074 -10.700 8.375 1.00 0.00 C ATOM 494 CE LYS A 33 -4.321 -11.923 8.914 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.839 -13.188 8.330 1.00 0.00 N ATOM 0 H LYS A 33 -3.620 -6.612 7.173 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.703 -8.634 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.954 -7.318 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.372 -8.321 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.492 -9.267 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.489 -9.533 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.137 -10.792 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.976 -10.652 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.259 -11.826 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.414 -11.958 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.306 -13.993 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.846 -13.293 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.727 -13.164 7.296 1.00 0.00 H new ATOM 509 N LYS A 34 -6.078 -5.780 5.913 1.00 0.00 N ATOM 510 CA LYS A 34 -6.923 -4.664 5.441 1.00 0.00 C ATOM 511 C LYS A 34 -6.897 -4.571 3.911 1.00 0.00 C ATOM 512 O LYS A 34 -6.016 -5.136 3.266 1.00 0.00 O ATOM 513 CB LYS A 34 -6.447 -3.341 6.076 1.00 0.00 C ATOM 514 CG LYS A 34 -6.595 -3.308 7.606 1.00 0.00 C ATOM 515 CD LYS A 34 -6.204 -1.930 8.164 1.00 0.00 C ATOM 516 CE LYS A 34 -6.186 -1.894 9.699 1.00 0.00 C ATOM 517 NZ LYS A 34 -7.542 -2.045 10.293 1.00 0.00 N ATOM 0 H LYS A 34 -5.179 -5.812 5.432 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.952 -4.851 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.401 -3.178 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.015 -2.516 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.624 -3.538 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.966 -4.078 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.219 -1.656 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.905 -1.181 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.541 -2.691 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.751 -0.951 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.472 -2.014 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.153 -1.271 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.949 -2.956 10.001 1.00 0.00 H new ATOM 531 N GLU A 35 -7.845 -3.833 3.339 1.00 0.00 N ATOM 532 CA GLU A 35 -7.971 -3.561 1.897 1.00 0.00 C ATOM 533 C GLU A 35 -8.422 -2.111 1.643 1.00 0.00 C ATOM 534 O GLU A 35 -8.906 -1.434 2.554 1.00 0.00 O ATOM 535 CB GLU A 35 -8.956 -4.553 1.246 1.00 0.00 C ATOM 536 CG GLU A 35 -8.282 -5.876 0.858 1.00 0.00 C ATOM 537 CD GLU A 35 -9.222 -6.854 0.126 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.720 -7.626 -0.730 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.446 -6.882 0.405 1.00 0.00 O ATOM 0 H GLU A 35 -8.581 -3.386 3.885 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.989 -3.693 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.775 -4.754 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.393 -4.097 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.424 -5.664 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.899 -6.357 1.758 1.00 0.00 H new ATOM 546 N SER A 36 -8.271 -1.631 0.403 1.00 0.00 N ATOM 547 CA SER A 36 -8.745 -0.303 -0.030 1.00 0.00 C ATOM 548 C SER A 36 -10.274 -0.168 0.068 1.00 0.00 C ATOM 549 O SER A 36 -11.006 -1.119 -0.226 1.00 0.00 O ATOM 550 CB SER A 36 -8.315 -0.019 -1.475 1.00 0.00 C ATOM 551 OG SER A 36 -6.901 -0.031 -1.602 1.00 0.00 O ATOM 0 H SER A 36 -7.811 -2.157 -0.340 1.00 0.00 H new ATOM 0 HA SER A 36 -8.291 0.422 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.749 -0.766 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.703 0.950 -1.789 1.00 0.00 H new ATOM 0 HG SER A 36 -6.655 0.151 -2.533 1.00 0.00 H new ATOM 557 N ARG A 37 -10.762 1.026 0.434 1.00 0.00 N ATOM 558 CA ARG A 37 -12.192 1.369 0.627 1.00 0.00 C ATOM 559 C ARG A 37 -12.524 2.756 0.045 1.00 0.00 C ATOM 560 O ARG A 37 -11.627 3.504 -0.347 1.00 0.00 O ATOM 561 CB ARG A 37 -12.550 1.320 2.134 1.00 0.00 C ATOM 562 CG ARG A 37 -12.279 -0.013 2.855 1.00 0.00 C ATOM 563 CD ARG A 37 -13.117 -1.186 2.328 1.00 0.00 C ATOM 564 NE ARG A 37 -12.675 -2.465 2.920 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.834 -3.673 2.406 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.464 -3.878 1.284 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.364 -4.719 3.023 1.00 0.00 N ATOM 0 H ARG A 37 -10.148 1.821 0.614 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.790 0.632 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.992 2.105 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.608 1.559 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.222 -0.260 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.478 0.114 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.169 -1.019 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.035 -1.237 1.242 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.197 -2.411 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.856 -3.090 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.565 -4.826 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.870 -4.609 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.490 -5.648 2.621 1.00 0.00 H new ATOM 581 N GLY A 38 -13.812 3.105 0.007 1.00 0.00 N ATOM 582 CA GLY A 38 -14.320 4.387 -0.501 1.00 0.00 C ATOM 583 C GLY A 38 -15.784 4.661 -0.130 1.00 0.00 C ATOM 584 O GLY A 38 -16.438 3.840 0.521 1.00 0.00 O ATOM 0 H GLY A 38 -14.554 2.488 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.699 5.194 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.220 4.403 -1.586 1.00 0.00 H new ATOM 588 N ARG A 39 -16.297 5.831 -0.542 1.00 0.00 N ATOM 589 CA ARG A 39 -17.620 6.383 -0.155 1.00 0.00 C ATOM 590 C ARG A 39 -18.441 6.922 -1.348 1.00 0.00 C ATOM 591 O ARG A 39 -19.349 7.736 -1.167 1.00 0.00 O ATOM 592 CB ARG A 39 -17.420 7.446 0.952 1.00 0.00 C ATOM 593 CG ARG A 39 -16.985 6.830 2.292 1.00 0.00 C ATOM 594 CD ARG A 39 -16.852 7.907 3.376 1.00 0.00 C ATOM 595 NE ARG A 39 -16.628 7.306 4.705 1.00 0.00 N ATOM 596 CZ ARG A 39 -16.335 7.946 5.825 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.160 9.237 5.864 1.00 0.00 N ATOM 598 NH2 ARG A 39 -16.216 7.291 6.945 1.00 0.00 N ATOM 0 H ARG A 39 -15.789 6.447 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 39 -18.223 5.564 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.670 8.167 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -18.350 7.996 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.713 6.082 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.032 6.315 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.024 8.572 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.755 8.517 3.398 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.707 6.291 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.248 9.790 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.935 9.695 6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.349 6.280 6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.990 7.789 7.806 1.00 0.00 H new ATOM 612 N GLY A 40 -18.133 6.475 -2.569 1.00 0.00 N ATOM 613 CA GLY A 40 -18.866 6.856 -3.789 1.00 0.00 C ATOM 614 C GLY A 40 -18.373 6.205 -5.092 1.00 0.00 C ATOM 615 O GLY A 40 -19.132 6.081 -6.053 1.00 0.00 O ATOM 0 H GLY A 40 -17.361 5.832 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.918 6.603 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.810 7.939 -3.901 1.00 0.00 H new HETATM 619 N NH2 A 41 -17.127 5.749 -5.156 1.00 0.00 N TER 622 NH2 A 41