USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 250 hydrogens (6 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 34 HSL H2 : A 34 HSL N : A 33 VAL C :(H bumps) USER MOD NoAdj-H: A 34 HSL H : A 34 HSL N : A 33 VAL C :(H bumps) USER MOD Set 1.1: A 23 GLN : amide:sc= 0.23 K(o=-1.3,f=-2) USER MOD Set 1.2: A 32 GLN : amide:sc= -1.54! X(o=-1.3!,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.126 K(o=0.13,f=-4.6!) USER MOD Single : A 8 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-1.1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.23) USER MOD Single : A 16 ASN : amide:sc= -1.21! C(o=-1.2!,f=-7.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.463 3.029 -12.704 1.00 2.15 N ATOM 2 CA ALA A 1 0.349 2.402 -11.960 1.00 1.72 C ATOM 3 C ALA A 1 0.624 2.421 -10.483 1.00 1.26 C ATOM 4 O ALA A 1 1.576 1.877 -9.920 1.00 1.25 O ATOM 5 CB ALA A 1 0.123 0.978 -12.443 1.00 2.03 C ATOM 0 H1 ALA A 1 1.256 3.007 -13.723 1.00 2.15 H new ATOM 0 H2 ALA A 1 1.575 4.016 -12.395 1.00 2.15 H new ATOM 0 H3 ALA A 1 2.342 2.506 -12.518 1.00 2.15 H new ATOM 0 HA ALA A 1 -0.558 2.977 -12.147 1.00 1.72 H new ATOM 0 HB1 ALA A 1 -0.700 0.531 -11.885 1.00 2.03 H new ATOM 0 HB2 ALA A 1 -0.122 0.989 -13.505 1.00 2.03 H new ATOM 0 HB3 ALA A 1 1.029 0.392 -12.285 1.00 2.03 H new ATOM 13 N CYS A 2 -0.262 3.123 -9.786 1.00 1.05 N ATOM 14 CA CYS A 2 -0.208 3.200 -8.330 1.00 0.76 C ATOM 15 C CYS A 2 -0.549 1.858 -7.741 1.00 0.64 C ATOM 16 O CYS A 2 -1.263 0.999 -8.264 1.00 0.82 O ATOM 17 CB CYS A 2 -1.166 4.282 -7.815 1.00 0.94 C ATOM 18 SG CYS A 2 -2.872 4.161 -8.460 1.00 0.92 S ATOM 0 H CYS A 2 -1.028 3.648 -10.207 1.00 1.05 H new ATOM 0 HA CYS A 2 0.802 3.472 -8.022 1.00 0.76 H new ATOM 0 HB2 CYS A 2 -1.199 4.231 -6.727 1.00 0.94 H new ATOM 0 HB3 CYS A 2 -0.762 5.260 -8.076 1.00 0.94 H new ATOM 23 N GLY A 3 0.027 1.641 -6.558 1.00 0.51 N ATOM 24 CA GLY A 3 -0.183 0.405 -5.826 1.00 0.60 C ATOM 25 C GLY A 3 -1.648 0.141 -5.553 1.00 0.51 C ATOM 26 O GLY A 3 -2.346 0.987 -4.982 1.00 0.55 O ATOM 0 H GLY A 3 0.641 2.309 -6.092 1.00 0.51 H new ATOM 0 HA2 GLY A 3 0.234 -0.426 -6.394 1.00 0.60 H new ATOM 0 HA3 GLY A 3 0.358 0.449 -4.881 1.00 0.60 H new ATOM 30 N ILE A 4 -2.105 -1.027 -5.979 1.00 0.46 N ATOM 31 CA ILE A 4 -3.504 -1.412 -5.862 1.00 0.44 C ATOM 32 C ILE A 4 -3.742 -2.185 -4.587 1.00 0.39 C ATOM 33 O ILE A 4 -2.884 -2.524 -3.766 1.00 0.41 O ATOM 34 CB ILE A 4 -3.955 -2.262 -7.072 1.00 0.46 C ATOM 35 CG1 ILE A 4 -3.062 -3.500 -7.223 1.00 0.45 C ATOM 36 CG2 ILE A 4 -3.936 -1.425 -8.343 1.00 0.66 C ATOM 37 CD1 ILE A 4 -3.494 -4.431 -8.338 1.00 0.75 C ATOM 0 H ILE A 4 -1.516 -1.736 -6.416 1.00 0.46 H new ATOM 0 HA ILE A 4 -4.093 -0.495 -5.841 1.00 0.44 H new ATOM 0 HB ILE A 4 -4.977 -2.599 -6.898 1.00 0.46 H new ATOM 0 HG12 ILE A 4 -2.037 -3.177 -7.408 1.00 0.45 H new ATOM 0 HG13 ILE A 4 -3.058 -4.051 -6.283 1.00 0.45 H new ATOM 0 HG21 ILE A 4 -4.256 -2.037 -9.186 1.00 0.66 H new ATOM 0 HG22 ILE A 4 -4.613 -0.578 -8.231 1.00 0.66 H new ATOM 0 HG23 ILE A 4 -2.925 -1.059 -8.523 1.00 0.66 H new ATOM 0 HD11 ILE A 4 -2.816 -5.283 -8.384 1.00 0.75 H new ATOM 0 HD12 ILE A 4 -4.507 -4.784 -8.145 1.00 0.75 H new ATOM 0 HD13 ILE A 4 -3.470 -3.897 -9.288 1.00 0.75 H new ATOM 49 N LEU A 5 -5.031 -2.508 -4.430 1.00 0.45 N ATOM 50 CA LEU A 5 -5.613 -3.033 -3.181 1.00 0.57 C ATOM 51 C LEU A 5 -4.851 -4.201 -2.589 1.00 0.54 C ATOM 52 O LEU A 5 -4.963 -4.595 -1.426 1.00 0.78 O ATOM 53 CB LEU A 5 -7.077 -3.446 -3.409 1.00 0.72 C ATOM 54 CG LEU A 5 -7.306 -4.726 -4.232 1.00 0.75 C ATOM 55 CD1 LEU A 5 -8.777 -5.102 -4.226 1.00 1.02 C ATOM 56 CD2 LEU A 5 -6.815 -4.562 -5.663 1.00 1.25 C ATOM 0 H LEU A 5 -5.715 -2.411 -5.180 1.00 0.45 H new ATOM 0 HA LEU A 5 -5.548 -2.218 -2.460 1.00 0.57 H new ATOM 0 HB2 LEU A 5 -7.551 -3.576 -2.436 1.00 0.72 H new ATOM 0 HB3 LEU A 5 -7.591 -2.623 -3.906 1.00 0.72 H new ATOM 0 HG LEU A 5 -6.730 -5.527 -3.767 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -8.923 -6.009 -4.812 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -9.104 -5.276 -3.201 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -9.362 -4.291 -4.661 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -6.992 -5.484 -6.216 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -7.353 -3.743 -6.141 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -5.748 -4.341 -5.658 1.00 1.25 H new ATOM 68 N HIS A 6 -4.032 -4.830 -3.430 1.00 0.45 N ATOM 69 CA HIS A 6 -3.205 -5.960 -2.997 1.00 0.63 C ATOM 70 C HIS A 6 -1.938 -6.018 -3.813 1.00 0.57 C ATOM 71 O HIS A 6 -1.489 -7.016 -4.383 1.00 0.79 O ATOM 72 CB HIS A 6 -3.971 -7.297 -3.093 1.00 0.86 C ATOM 73 CG HIS A 6 -4.421 -7.666 -4.480 1.00 0.90 C ATOM 74 ND1 HIS A 6 -3.548 -8.001 -5.494 1.00 1.09 N ATOM 75 CD2 HIS A 6 -5.657 -7.740 -5.017 1.00 0.95 C ATOM 76 CE1 HIS A 6 -4.230 -8.260 -6.591 1.00 1.23 C ATOM 77 NE2 HIS A 6 -5.511 -8.109 -6.330 1.00 1.17 N ATOM 0 H HIS A 6 -3.922 -4.579 -4.412 1.00 0.45 H new ATOM 0 HA HIS A 6 -2.948 -5.804 -1.949 1.00 0.63 H new ATOM 0 HB2 HIS A 6 -3.334 -8.093 -2.709 1.00 0.86 H new ATOM 0 HB3 HIS A 6 -4.845 -7.247 -2.444 1.00 0.86 H new ATOM 0 HD1 HIS A 6 -2.532 -8.042 -5.408 1.00 1.09 H new ATOM 0 HD2 HIS A 6 -6.589 -7.545 -4.507 1.00 0.95 H new ATOM 0 HE1 HIS A 6 -3.809 -8.548 -7.543 1.00 1.23 H new ATOM 86 N ASP A 7 -1.309 -4.857 -3.906 1.00 0.37 N ATOM 87 CA ASP A 7 -0.036 -4.730 -4.616 1.00 0.33 C ATOM 88 C ASP A 7 1.096 -4.926 -3.644 1.00 0.31 C ATOM 89 O ASP A 7 1.124 -4.519 -2.486 1.00 0.44 O ATOM 90 CB ASP A 7 0.062 -3.365 -5.298 1.00 0.39 C ATOM 91 CG ASP A 7 1.338 -3.201 -6.095 1.00 0.58 C ATOM 92 OD1 ASP A 7 1.607 -4.047 -6.971 1.00 0.96 O ATOM 93 OD2 ASP A 7 2.078 -2.230 -5.849 1.00 0.97 O ATOM 0 H ASP A 7 -1.655 -3.987 -3.501 1.00 0.37 H new ATOM 0 HA ASP A 7 0.025 -5.494 -5.391 1.00 0.33 H new ATOM 0 HB2 ASP A 7 -0.794 -3.231 -5.959 1.00 0.39 H new ATOM 0 HB3 ASP A 7 0.007 -2.581 -4.543 1.00 0.39 H new ATOM 98 N ASN A 8 2.119 -5.618 -4.134 1.00 0.37 N ATOM 99 CA ASN A 8 3.270 -5.977 -3.306 1.00 0.39 C ATOM 100 C ASN A 8 4.160 -4.785 -3.125 1.00 0.41 C ATOM 101 O ASN A 8 4.661 -4.112 -4.032 1.00 0.57 O ATOM 102 CB ASN A 8 4.065 -7.124 -3.930 1.00 0.55 C ATOM 103 CG ASN A 8 3.316 -8.442 -3.926 1.00 1.40 C ATOM 104 OD1 ASN A 8 2.497 -8.714 -3.046 1.00 2.09 O ATOM 105 ND2 ASN A 8 3.586 -9.271 -4.919 1.00 2.19 N ATOM 0 H ASN A 8 2.177 -5.942 -5.099 1.00 0.37 H new ATOM 0 HA ASN A 8 2.898 -6.307 -2.336 1.00 0.39 H new ATOM 0 HB2 ASN A 8 4.322 -6.863 -4.957 1.00 0.55 H new ATOM 0 HB3 ASN A 8 5.003 -7.245 -3.387 1.00 0.55 H new ATOM 0 HD21 ASN A 8 3.110 -10.171 -4.975 1.00 2.19 H new ATOM 0 HD22 ASN A 8 4.270 -9.011 -5.629 1.00 2.19 H new ATOM 112 N CYS A 9 4.403 -4.496 -1.850 1.00 0.34 N ATOM 113 CA CYS A 9 5.196 -3.335 -1.457 1.00 0.41 C ATOM 114 C CYS A 9 5.394 -3.332 0.035 1.00 0.44 C ATOM 115 O CYS A 9 4.593 -3.747 0.873 1.00 0.62 O ATOM 116 CB CYS A 9 4.516 -2.035 -1.908 1.00 0.59 C ATOM 117 SG CYS A 9 2.803 -1.833 -1.317 1.00 1.11 S ATOM 0 H CYS A 9 4.060 -5.053 -1.067 1.00 0.34 H new ATOM 0 HA CYS A 9 6.169 -3.396 -1.945 1.00 0.41 H new ATOM 0 HB2 CYS A 9 5.109 -1.190 -1.559 1.00 0.59 H new ATOM 0 HB3 CYS A 9 4.518 -1.998 -2.997 1.00 0.59 H new ATOM 122 N VAL A 10 6.569 -2.840 0.413 1.00 0.51 N ATOM 123 CA VAL A 10 6.944 -2.724 1.820 1.00 0.66 C ATOM 124 C VAL A 10 6.289 -1.508 2.423 1.00 0.62 C ATOM 125 O VAL A 10 5.711 -0.612 1.801 1.00 0.93 O ATOM 126 CB VAL A 10 8.478 -2.643 1.999 1.00 0.93 C ATOM 127 CG1 VAL A 10 9.134 -3.945 1.571 1.00 1.70 C ATOM 128 CG2 VAL A 10 9.059 -1.472 1.220 1.00 1.52 C ATOM 0 H VAL A 10 7.282 -2.513 -0.239 1.00 0.51 H new ATOM 0 HA VAL A 10 6.598 -3.621 2.334 1.00 0.66 H new ATOM 0 HB VAL A 10 8.685 -2.480 3.057 1.00 0.93 H new ATOM 0 HG11 VAL A 10 10.213 -3.870 1.704 1.00 1.70 H new ATOM 0 HG12 VAL A 10 8.750 -4.763 2.180 1.00 1.70 H new ATOM 0 HG13 VAL A 10 8.910 -4.137 0.522 1.00 1.70 H new ATOM 0 HG21 VAL A 10 10.139 -1.439 1.364 1.00 1.52 H new ATOM 0 HG22 VAL A 10 8.838 -1.595 0.160 1.00 1.52 H new ATOM 0 HG23 VAL A 10 8.617 -0.542 1.577 1.00 1.52 H new ATOM 138 N TYR A 11 6.386 -1.456 3.748 1.00 0.92 N ATOM 139 CA TYR A 11 5.726 -0.420 4.531 1.00 1.15 C ATOM 140 C TYR A 11 6.508 0.862 4.432 1.00 1.00 C ATOM 141 O TYR A 11 7.268 1.326 5.288 1.00 1.61 O ATOM 142 CB TYR A 11 5.576 -0.869 5.992 1.00 1.97 C ATOM 143 CG TYR A 11 4.816 0.107 6.869 1.00 2.55 C ATOM 144 CD1 TYR A 11 3.430 0.188 6.809 1.00 3.30 C ATOM 145 CD2 TYR A 11 5.483 0.948 7.752 1.00 2.90 C ATOM 146 CE1 TYR A 11 2.731 1.077 7.603 1.00 4.26 C ATOM 147 CE2 TYR A 11 4.792 1.839 8.548 1.00 3.82 C ATOM 148 CZ TYR A 11 3.417 1.899 8.470 1.00 4.46 C ATOM 149 OH TYR A 11 2.726 2.786 9.265 1.00 5.54 O ATOM 0 H TYR A 11 6.919 -2.125 4.304 1.00 0.92 H new ATOM 0 HA TYR A 11 4.726 -0.247 4.133 1.00 1.15 H new ATOM 0 HB2 TYR A 11 5.066 -1.832 6.013 1.00 1.97 H new ATOM 0 HB3 TYR A 11 6.568 -1.024 6.416 1.00 1.97 H new ATOM 0 HD1 TYR A 11 2.890 -0.455 6.130 1.00 3.30 H new ATOM 0 HD2 TYR A 11 6.560 0.904 7.816 1.00 2.90 H new ATOM 0 HE1 TYR A 11 1.654 1.127 7.544 1.00 4.26 H new ATOM 0 HE2 TYR A 11 5.326 2.486 9.228 1.00 3.82 H new ATOM 0 HH TYR A 11 3.358 3.290 9.819 1.00 5.54 H new ATOM 159 N VAL A 12 6.327 1.485 3.275 1.00 0.59 N ATOM 160 CA VAL A 12 6.927 2.782 2.984 1.00 0.92 C ATOM 161 C VAL A 12 5.840 3.787 2.678 1.00 0.73 C ATOM 162 O VAL A 12 5.384 4.049 1.564 1.00 1.16 O ATOM 163 CB VAL A 12 7.928 2.702 1.803 1.00 1.65 C ATOM 164 CG1 VAL A 12 9.202 1.991 2.230 1.00 2.26 C ATOM 165 CG2 VAL A 12 7.310 1.999 0.601 1.00 2.45 C ATOM 0 H VAL A 12 5.762 1.108 2.514 1.00 0.59 H new ATOM 0 HA VAL A 12 7.485 3.100 3.865 1.00 0.92 H new ATOM 0 HB VAL A 12 8.176 3.722 1.508 1.00 1.65 H new ATOM 0 HG11 VAL A 12 9.892 1.944 1.388 1.00 2.26 H new ATOM 0 HG12 VAL A 12 9.667 2.538 3.050 1.00 2.26 H new ATOM 0 HG13 VAL A 12 8.962 0.980 2.558 1.00 2.26 H new ATOM 0 HG21 VAL A 12 8.037 1.959 -0.210 1.00 2.45 H new ATOM 0 HG22 VAL A 12 7.022 0.986 0.881 1.00 2.45 H new ATOM 0 HG23 VAL A 12 6.428 2.549 0.272 1.00 2.45 H new ATOM 175 N PRO A 13 5.338 4.422 3.757 1.00 1.01 N ATOM 176 CA PRO A 13 4.242 5.391 3.664 1.00 1.29 C ATOM 177 C PRO A 13 4.685 6.743 3.160 1.00 1.09 C ATOM 178 O PRO A 13 3.995 7.515 2.488 1.00 1.07 O ATOM 179 CB PRO A 13 3.742 5.486 5.105 1.00 2.06 C ATOM 180 CG PRO A 13 4.938 5.185 5.946 1.00 2.35 C ATOM 181 CD PRO A 13 5.788 4.229 5.151 1.00 1.71 C ATOM 0 HA PRO A 13 3.483 5.075 2.949 1.00 1.29 H new ATOM 0 HB2 PRO A 13 3.346 6.478 5.321 1.00 2.06 H new ATOM 0 HB3 PRO A 13 2.938 4.774 5.292 1.00 2.06 H new ATOM 0 HG2 PRO A 13 5.490 6.096 6.176 1.00 2.35 H new ATOM 0 HG3 PRO A 13 4.642 4.743 6.897 1.00 2.35 H new ATOM 0 HD2 PRO A 13 6.849 4.452 5.262 1.00 1.71 H new ATOM 0 HD3 PRO A 13 5.643 3.199 5.478 1.00 1.71 H new ATOM 189 N ALA A 14 5.940 7.061 3.490 1.00 1.33 N ATOM 190 CA ALA A 14 6.528 8.365 3.161 1.00 1.64 C ATOM 191 C ALA A 14 6.368 8.646 1.692 1.00 1.58 C ATOM 192 O ALA A 14 6.015 9.716 1.187 1.00 1.81 O ATOM 193 CB ALA A 14 7.993 8.407 3.561 1.00 2.17 C ATOM 0 H ALA A 14 6.571 6.432 3.986 1.00 1.33 H new ATOM 0 HA ALA A 14 6.003 9.138 3.722 1.00 1.64 H new ATOM 0 HB1 ALA A 14 8.411 9.382 3.309 1.00 2.17 H new ATOM 0 HB2 ALA A 14 8.082 8.241 4.635 1.00 2.17 H new ATOM 0 HB3 ALA A 14 8.538 7.629 3.027 1.00 2.17 H new ATOM 199 N GLN A 15 6.637 7.597 0.935 1.00 1.44 N ATOM 200 CA GLN A 15 6.419 7.606 -0.496 1.00 1.44 C ATOM 201 C GLN A 15 5.522 6.450 -0.843 1.00 1.09 C ATOM 202 O GLN A 15 5.802 5.517 -1.598 1.00 1.16 O ATOM 203 CB GLN A 15 7.756 7.516 -1.241 1.00 1.84 C ATOM 204 CG GLN A 15 7.638 7.615 -2.755 1.00 2.46 C ATOM 205 CD GLN A 15 6.961 8.890 -3.214 1.00 2.98 C ATOM 206 OE1 GLN A 15 5.744 8.927 -3.404 1.00 3.41 O ATOM 207 NE2 GLN A 15 7.740 9.942 -3.382 1.00 3.57 N ATOM 0 H GLN A 15 7.011 6.719 1.296 1.00 1.44 H new ATOM 0 HA GLN A 15 5.943 8.538 -0.800 1.00 1.44 H new ATOM 0 HB2 GLN A 15 8.410 8.313 -0.887 1.00 1.84 H new ATOM 0 HB3 GLN A 15 8.237 6.572 -0.987 1.00 1.84 H new ATOM 0 HG2 GLN A 15 8.633 7.560 -3.196 1.00 2.46 H new ATOM 0 HG3 GLN A 15 7.077 6.758 -3.127 1.00 2.46 H new ATOM 0 HE21 GLN A 15 8.743 9.866 -3.213 1.00 3.57 H new ATOM 0 HE22 GLN A 15 7.339 10.831 -3.681 1.00 3.57 H new ATOM 216 N ASN A 16 4.346 6.496 -0.213 1.00 0.85 N ATOM 217 CA ASN A 16 3.306 5.485 -0.411 1.00 0.74 C ATOM 218 C ASN A 16 2.872 5.469 -1.860 1.00 0.63 C ATOM 219 O ASN A 16 2.203 6.337 -2.428 1.00 0.65 O ATOM 220 CB ASN A 16 2.120 5.765 0.523 1.00 0.93 C ATOM 221 CG ASN A 16 0.969 4.787 0.356 1.00 0.87 C ATOM 222 OD1 ASN A 16 0.978 3.689 0.920 1.00 1.63 O ATOM 223 ND2 ASN A 16 -0.045 5.193 -0.395 1.00 1.28 N ATOM 0 H ASN A 16 4.089 7.231 0.445 1.00 0.85 H new ATOM 0 HA ASN A 16 3.704 4.500 -0.166 1.00 0.74 H new ATOM 0 HB2 ASN A 16 2.466 5.732 1.556 1.00 0.93 H new ATOM 0 HB3 ASN A 16 1.756 6.776 0.341 1.00 0.93 H new ATOM 0 HD21 ASN A 16 -0.858 4.590 -0.524 1.00 1.28 H new ATOM 0 HD22 ASN A 16 -0.013 6.108 -0.844 1.00 1.28 H new ATOM 230 N PRO A 17 3.267 4.375 -2.545 1.00 0.65 N ATOM 231 CA PRO A 17 3.114 4.227 -4.004 1.00 0.61 C ATOM 232 C PRO A 17 1.722 3.840 -4.427 1.00 0.60 C ATOM 233 O PRO A 17 1.305 3.791 -5.586 1.00 0.86 O ATOM 234 CB PRO A 17 4.080 3.089 -4.317 1.00 0.79 C ATOM 235 CG PRO A 17 4.011 2.229 -3.105 1.00 0.94 C ATOM 236 CD PRO A 17 3.905 3.180 -1.947 1.00 0.84 C ATOM 0 HA PRO A 17 3.309 5.164 -4.526 1.00 0.61 H new ATOM 0 HB2 PRO A 17 3.781 2.544 -5.213 1.00 0.79 H new ATOM 0 HB3 PRO A 17 5.091 3.457 -4.490 1.00 0.79 H new ATOM 0 HG2 PRO A 17 3.150 1.561 -3.145 1.00 0.94 H new ATOM 0 HG3 PRO A 17 4.898 1.601 -3.018 1.00 0.94 H new ATOM 0 HD2 PRO A 17 3.303 2.764 -1.139 1.00 0.84 H new ATOM 0 HD3 PRO A 17 4.884 3.414 -1.528 1.00 0.84 H new ATOM 244 N CYS A 18 0.926 3.541 -3.416 1.00 0.52 N ATOM 245 CA CYS A 18 -0.425 3.051 -3.626 1.00 0.52 C ATOM 246 C CYS A 18 -1.341 4.183 -3.965 1.00 0.44 C ATOM 247 O CYS A 18 -1.170 5.369 -3.671 1.00 0.49 O ATOM 248 CB CYS A 18 -0.922 2.323 -2.385 1.00 0.71 C ATOM 249 SG CYS A 18 -0.063 0.764 -2.056 1.00 1.03 S ATOM 0 H CYS A 18 1.194 3.630 -2.436 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.415 2.350 -4.460 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -0.808 2.978 -1.521 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -1.988 2.123 -2.495 1.00 0.71 H new ATOM 254 N CYS A 19 -2.403 3.790 -4.661 1.00 0.43 N ATOM 255 CA CYS A 19 -3.438 4.718 -5.096 1.00 0.44 C ATOM 256 C CYS A 19 -4.045 5.380 -3.887 1.00 0.40 C ATOM 257 O CYS A 19 -4.133 4.875 -2.766 1.00 0.41 O ATOM 258 CB CYS A 19 -4.503 3.966 -5.890 1.00 0.56 C ATOM 259 SG CYS A 19 -3.817 2.886 -7.191 1.00 1.12 S ATOM 0 H CYS A 19 -2.569 2.822 -4.938 1.00 0.43 H new ATOM 0 HA CYS A 19 -3.005 5.483 -5.740 1.00 0.44 H new ATOM 0 HB2 CYS A 19 -5.097 3.362 -5.204 1.00 0.56 H new ATOM 0 HB3 CYS A 19 -5.180 4.687 -6.348 1.00 0.56 H new ATOM 264 N ARG A 20 -4.499 6.611 -4.121 1.00 0.50 N ATOM 265 CA ARG A 20 -4.988 7.480 -3.050 1.00 0.57 C ATOM 266 C ARG A 20 -6.175 6.850 -2.368 1.00 0.49 C ATOM 267 O ARG A 20 -7.341 6.867 -2.771 1.00 0.63 O ATOM 268 CB ARG A 20 -5.364 8.857 -3.601 1.00 0.81 C ATOM 269 CG ARG A 20 -5.609 9.895 -2.521 1.00 1.60 C ATOM 270 CD ARG A 20 -5.861 11.274 -3.108 1.00 2.27 C ATOM 271 NE ARG A 20 -7.172 11.375 -3.747 1.00 2.90 N ATOM 272 CZ ARG A 20 -7.449 12.206 -4.750 1.00 3.86 C ATOM 273 NH1 ARG A 20 -6.482 12.907 -5.324 1.00 4.34 N ATOM 274 NH2 ARG A 20 -8.691 12.312 -5.198 1.00 4.72 N ATOM 0 H ARG A 20 -4.538 7.031 -5.049 1.00 0.50 H new ATOM 0 HA ARG A 20 -4.189 7.608 -2.319 1.00 0.57 H new ATOM 0 HB2 ARG A 20 -4.567 9.207 -4.256 1.00 0.81 H new ATOM 0 HB3 ARG A 20 -6.261 8.762 -4.213 1.00 0.81 H new ATOM 0 HG2 ARG A 20 -6.465 9.595 -1.917 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -4.748 9.936 -1.854 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -5.786 12.022 -2.318 1.00 2.27 H new ATOM 0 HD3 ARG A 20 -5.085 11.503 -3.838 1.00 2.27 H new ATOM 0 HE ARG A 20 -7.920 10.772 -3.404 1.00 2.90 H new ATOM 0 HH11 ARG A 20 -5.520 12.811 -4.998 1.00 4.34 H new ATOM 0 HH12 ARG A 20 -6.699 13.542 -6.092 1.00 4.34 H new ATOM 0 HH21 ARG A 20 -9.435 11.757 -4.775 1.00 4.72 H new ATOM 0 HH22 ARG A 20 -8.903 12.948 -5.966 1.00 4.72 H new ATOM 288 N GLY A 21 -5.860 6.256 -1.227 1.00 0.42 N ATOM 289 CA GLY A 21 -6.842 5.518 -0.459 1.00 0.43 C ATOM 290 C GLY A 21 -6.332 4.146 -0.082 1.00 0.40 C ATOM 291 O GLY A 21 -7.016 3.386 0.605 1.00 0.55 O ATOM 0 H GLY A 21 -4.927 6.273 -0.814 1.00 0.42 H new ATOM 0 HA2 GLY A 21 -7.093 6.075 0.444 1.00 0.43 H new ATOM 0 HA3 GLY A 21 -7.760 5.420 -1.039 1.00 0.43 H new ATOM 295 N LEU A 22 -5.130 3.831 -0.548 1.00 0.31 N ATOM 296 CA LEU A 22 -4.481 2.560 -0.260 1.00 0.33 C ATOM 297 C LEU A 22 -3.140 2.835 0.370 1.00 0.39 C ATOM 298 O LEU A 22 -2.448 3.840 0.167 1.00 0.50 O ATOM 299 CB LEU A 22 -4.310 1.756 -1.554 1.00 0.38 C ATOM 300 CG LEU A 22 -5.594 1.544 -2.362 1.00 0.48 C ATOM 301 CD1 LEU A 22 -5.283 0.903 -3.703 1.00 1.25 C ATOM 302 CD2 LEU A 22 -6.581 0.689 -1.586 1.00 1.15 C ATOM 0 H LEU A 22 -4.577 4.452 -1.138 1.00 0.31 H new ATOM 0 HA LEU A 22 -5.093 1.975 0.427 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -3.582 2.264 -2.186 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -3.891 0.781 -1.305 1.00 0.38 H new ATOM 0 HG LEU A 22 -6.047 2.519 -2.541 1.00 0.48 H new ATOM 0 HD11 LEU A 22 -6.208 0.761 -4.262 1.00 1.25 H new ATOM 0 HD12 LEU A 22 -4.613 1.550 -4.269 1.00 1.25 H new ATOM 0 HD13 LEU A 22 -4.804 -0.063 -3.542 1.00 1.25 H new ATOM 0 HD21 LEU A 22 -7.486 0.550 -2.177 1.00 1.15 H new ATOM 0 HD22 LEU A 22 -6.133 -0.282 -1.375 1.00 1.15 H new ATOM 0 HD23 LEU A 22 -6.833 1.184 -0.648 1.00 1.15 H new ATOM 314 N GLN A 23 -2.723 1.885 1.201 1.00 0.43 N ATOM 315 CA GLN A 23 -1.478 2.019 1.954 1.00 0.54 C ATOM 316 C GLN A 23 -0.759 0.701 2.007 1.00 0.41 C ATOM 317 O GLN A 23 -1.269 -0.389 2.271 1.00 0.42 O ATOM 318 CB GLN A 23 -1.766 2.511 3.373 1.00 0.76 C ATOM 319 CG GLN A 23 -0.520 2.696 4.228 1.00 1.45 C ATOM 320 CD GLN A 23 -0.838 3.189 5.626 1.00 2.11 C ATOM 321 OE1 GLN A 23 -1.907 2.908 6.173 1.00 2.66 O ATOM 322 NE2 GLN A 23 0.086 3.927 6.218 1.00 2.84 N ATOM 0 H GLN A 23 -3.227 1.015 1.371 1.00 0.43 H new ATOM 0 HA GLN A 23 -0.845 2.749 1.449 1.00 0.54 H new ATOM 0 HB2 GLN A 23 -2.300 3.460 3.316 1.00 0.76 H new ATOM 0 HB3 GLN A 23 -2.430 1.801 3.865 1.00 0.76 H new ATOM 0 HG2 GLN A 23 0.014 1.748 4.294 1.00 1.45 H new ATOM 0 HG3 GLN A 23 0.148 3.405 3.740 1.00 1.45 H new ATOM 0 HE21 GLN A 23 0.958 4.138 5.733 1.00 2.84 H new ATOM 0 HE22 GLN A 23 -0.073 4.285 7.160 1.00 2.84 H new ATOM 331 N CYS A 24 0.539 0.799 1.744 1.00 0.46 N ATOM 332 CA CYS A 24 1.423 -0.362 1.774 1.00 0.44 C ATOM 333 C CYS A 24 1.645 -0.828 3.186 1.00 0.40 C ATOM 334 O CYS A 24 2.158 -0.173 4.097 1.00 0.57 O ATOM 335 CB CYS A 24 2.774 -0.045 1.128 1.00 0.61 C ATOM 336 SG CYS A 24 2.727 0.096 -0.685 1.00 1.14 S ATOM 0 H CYS A 24 1.005 1.675 1.506 1.00 0.46 H new ATOM 0 HA CYS A 24 0.937 -1.155 1.205 1.00 0.44 H new ATOM 0 HB2 CYS A 24 3.151 0.890 1.543 1.00 0.61 H new ATOM 0 HB3 CYS A 24 3.485 -0.825 1.401 1.00 0.61 H new ATOM 341 N ARG A 25 1.215 -2.065 3.396 1.00 0.35 N ATOM 342 CA ARG A 25 1.508 -2.787 4.621 1.00 0.45 C ATOM 343 C ARG A 25 2.745 -3.600 4.369 1.00 0.43 C ATOM 344 O ARG A 25 3.144 -3.952 3.261 1.00 0.56 O ATOM 345 CB ARG A 25 0.332 -3.699 5.003 1.00 0.57 C ATOM 346 CG ARG A 25 0.546 -4.472 6.297 1.00 1.37 C ATOM 347 CD ARG A 25 0.635 -3.540 7.489 1.00 1.70 C ATOM 348 NE ARG A 25 1.034 -4.236 8.710 1.00 2.29 N ATOM 349 CZ ARG A 25 1.182 -3.633 9.889 1.00 2.97 C ATOM 350 NH1 ARG A 25 0.886 -2.347 10.018 1.00 3.32 N ATOM 351 NH2 ARG A 25 1.589 -4.326 10.946 1.00 3.76 N ATOM 0 H ARG A 25 0.656 -2.592 2.724 1.00 0.35 H new ATOM 0 HA ARG A 25 1.664 -2.095 5.449 1.00 0.45 H new ATOM 0 HB2 ARG A 25 -0.569 -3.093 5.098 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.156 -4.407 4.193 1.00 0.57 H new ATOM 0 HG2 ARG A 25 -0.274 -5.175 6.443 1.00 1.37 H new ATOM 0 HG3 ARG A 25 1.461 -5.061 6.224 1.00 1.37 H new ATOM 0 HD2 ARG A 25 1.352 -2.747 7.275 1.00 1.70 H new ATOM 0 HD3 ARG A 25 -0.332 -3.061 7.646 1.00 1.70 H new ATOM 0 HE ARG A 25 1.209 -5.239 8.657 1.00 2.29 H new ATOM 0 HH11 ARG A 25 0.545 -1.819 9.215 1.00 3.32 H new ATOM 0 HH12 ARG A 25 0.999 -1.886 10.921 1.00 3.32 H new ATOM 0 HH21 ARG A 25 1.789 -5.322 10.856 1.00 3.76 H new ATOM 0 HH22 ARG A 25 1.702 -3.862 11.847 1.00 3.76 H new ATOM 365 N TYR A 26 3.421 -3.921 5.472 1.00 0.57 N ATOM 366 CA TYR A 26 4.667 -4.689 5.431 1.00 0.66 C ATOM 367 C TYR A 26 4.473 -5.957 4.631 1.00 0.54 C ATOM 368 O TYR A 26 4.026 -7.027 5.057 1.00 0.68 O ATOM 369 CB TYR A 26 5.143 -5.017 6.853 1.00 0.94 C ATOM 370 CG TYR A 26 6.432 -5.814 6.895 1.00 1.57 C ATOM 371 CD1 TYR A 26 7.650 -5.217 6.592 1.00 2.34 C ATOM 372 CD2 TYR A 26 6.430 -7.162 7.235 1.00 2.25 C ATOM 373 CE1 TYR A 26 8.827 -5.940 6.621 1.00 3.40 C ATOM 374 CE2 TYR A 26 7.604 -7.891 7.269 1.00 3.35 C ATOM 375 CZ TYR A 26 8.798 -7.277 6.961 1.00 3.83 C ATOM 376 OH TYR A 26 9.966 -8.005 6.985 1.00 5.02 O ATOM 0 H TYR A 26 3.124 -3.659 6.412 1.00 0.57 H new ATOM 0 HA TYR A 26 5.433 -4.085 4.944 1.00 0.66 H new ATOM 0 HB2 TYR A 26 5.283 -4.087 7.403 1.00 0.94 H new ATOM 0 HB3 TYR A 26 4.363 -5.577 7.368 1.00 0.94 H new ATOM 0 HD1 TYR A 26 7.677 -4.170 6.329 1.00 2.34 H new ATOM 0 HD2 TYR A 26 5.496 -7.648 7.476 1.00 2.25 H new ATOM 0 HE1 TYR A 26 9.764 -5.461 6.379 1.00 3.40 H new ATOM 0 HE2 TYR A 26 7.585 -8.937 7.536 1.00 3.35 H new ATOM 0 HH TYR A 26 9.770 -8.929 7.245 1.00 5.02 H new ATOM 386 N GLY A 27 4.797 -5.816 3.349 1.00 0.43 N ATOM 387 CA GLY A 27 4.699 -6.918 2.415 1.00 0.42 C ATOM 388 C GLY A 27 3.839 -6.571 1.217 1.00 0.34 C ATOM 389 O GLY A 27 4.233 -6.797 0.068 1.00 0.39 O ATOM 0 H GLY A 27 5.130 -4.944 2.938 1.00 0.43 H new ATOM 0 HA2 GLY A 27 5.697 -7.196 2.077 1.00 0.42 H new ATOM 0 HA3 GLY A 27 4.280 -7.787 2.922 1.00 0.42 H new ATOM 393 N LYS A 28 2.681 -5.974 1.480 1.00 0.32 N ATOM 394 CA LYS A 28 1.718 -5.672 0.431 1.00 0.38 C ATOM 395 C LYS A 28 0.775 -4.592 0.881 1.00 0.29 C ATOM 396 O LYS A 28 0.512 -4.285 2.045 1.00 0.28 O ATOM 397 CB LYS A 28 0.944 -6.932 0.016 1.00 0.60 C ATOM 398 CG LYS A 28 0.325 -7.710 1.171 1.00 0.68 C ATOM 399 CD LYS A 28 -0.327 -8.991 0.670 1.00 1.17 C ATOM 400 CE LYS A 28 -0.766 -9.897 1.812 1.00 1.65 C ATOM 401 NZ LYS A 28 -1.888 -9.319 2.601 1.00 2.20 N ATOM 0 H LYS A 28 2.388 -5.690 2.415 1.00 0.32 H new ATOM 0 HA LYS A 28 2.264 -5.313 -0.441 1.00 0.38 H new ATOM 0 HB2 LYS A 28 0.152 -6.644 -0.675 1.00 0.60 H new ATOM 0 HB3 LYS A 28 1.618 -7.593 -0.529 1.00 0.60 H new ATOM 0 HG2 LYS A 28 1.093 -7.951 1.906 1.00 0.68 H new ATOM 0 HG3 LYS A 28 -0.417 -7.092 1.676 1.00 0.68 H new ATOM 0 HD2 LYS A 28 -1.191 -8.740 0.055 1.00 1.17 H new ATOM 0 HD3 LYS A 28 0.374 -9.528 0.031 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -1.070 -10.863 1.409 1.00 1.65 H new ATOM 0 HE3 LYS A 28 0.082 -10.080 2.472 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -2.149 -9.974 3.365 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 -1.592 -8.410 3.010 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 -2.708 -9.169 1.979 1.00 2.20 H new ATOM 415 N CYS A 29 0.208 -3.967 -0.135 1.00 0.32 N ATOM 416 CA CYS A 29 -0.670 -2.822 0.024 1.00 0.33 C ATOM 417 C CYS A 29 -2.037 -3.291 0.437 1.00 0.34 C ATOM 418 O CYS A 29 -2.597 -4.316 0.043 1.00 0.52 O ATOM 419 CB CYS A 29 -0.748 -2.059 -1.299 1.00 0.48 C ATOM 420 SG CYS A 29 -1.474 -0.397 -1.179 1.00 0.95 S ATOM 0 H CYS A 29 0.346 -4.244 -1.107 1.00 0.32 H new ATOM 0 HA CYS A 29 -0.278 -2.159 0.795 1.00 0.33 H new ATOM 0 HB2 CYS A 29 0.257 -1.972 -1.712 1.00 0.48 H new ATOM 0 HB3 CYS A 29 -1.334 -2.646 -2.007 1.00 0.48 H new ATOM 425 N LEU A 30 -2.631 -2.488 1.312 1.00 0.32 N ATOM 426 CA LEU A 30 -3.950 -2.772 1.854 1.00 0.38 C ATOM 427 C LEU A 30 -4.839 -1.571 1.690 1.00 0.33 C ATOM 428 O LEU A 30 -4.467 -0.402 1.521 1.00 0.45 O ATOM 429 CB LEU A 30 -3.860 -3.150 3.335 1.00 0.53 C ATOM 430 CG LEU A 30 -3.135 -4.462 3.636 1.00 0.82 C ATOM 431 CD1 LEU A 30 -3.112 -4.721 5.134 1.00 1.35 C ATOM 432 CD2 LEU A 30 -3.793 -5.622 2.903 1.00 1.19 C ATOM 0 H LEU A 30 -2.213 -1.626 1.663 1.00 0.32 H new ATOM 0 HA LEU A 30 -4.372 -3.615 1.307 1.00 0.38 H new ATOM 0 HB2 LEU A 30 -3.354 -2.345 3.868 1.00 0.53 H new ATOM 0 HB3 LEU A 30 -4.871 -3.213 3.738 1.00 0.53 H new ATOM 0 HG LEU A 30 -2.108 -4.376 3.282 1.00 0.82 H new ATOM 0 HD11 LEU A 30 -2.593 -5.658 5.333 1.00 1.35 H new ATOM 0 HD12 LEU A 30 -2.593 -3.905 5.636 1.00 1.35 H new ATOM 0 HD13 LEU A 30 -4.134 -4.786 5.508 1.00 1.35 H new ATOM 0 HD21 LEU A 30 -3.261 -6.545 3.132 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -4.831 -5.713 3.223 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -3.759 -5.440 1.829 1.00 1.19 H new ATOM 444 N VAL A 31 -6.133 -1.877 1.750 1.00 0.44 N ATOM 445 CA VAL A 31 -7.182 -0.879 1.600 1.00 0.51 C ATOM 446 C VAL A 31 -7.386 -0.133 2.892 1.00 0.58 C ATOM 447 O VAL A 31 -7.727 -0.623 3.973 1.00 0.86 O ATOM 448 CB VAL A 31 -8.519 -1.519 1.144 1.00 0.82 C ATOM 449 CG1 VAL A 31 -8.378 -2.110 -0.251 1.00 1.54 C ATOM 450 CG2 VAL A 31 -8.987 -2.590 2.127 1.00 1.54 C ATOM 0 H VAL A 31 -6.481 -2.824 1.904 1.00 0.44 H new ATOM 0 HA VAL A 31 -6.861 -0.181 0.827 1.00 0.51 H new ATOM 0 HB VAL A 31 -9.273 -0.732 1.120 1.00 0.82 H new ATOM 0 HG11 VAL A 31 -9.325 -2.555 -0.555 1.00 1.54 H new ATOM 0 HG12 VAL A 31 -8.105 -1.323 -0.954 1.00 1.54 H new ATOM 0 HG13 VAL A 31 -7.603 -2.876 -0.245 1.00 1.54 H new ATOM 0 HG21 VAL A 31 -9.927 -3.019 1.778 1.00 1.54 H new ATOM 0 HG22 VAL A 31 -8.234 -3.375 2.196 1.00 1.54 H new ATOM 0 HG23 VAL A 31 -9.135 -2.142 3.110 1.00 1.54 H new ATOM 460 N GLN A 32 -7.143 1.166 2.791 1.00 0.61 N ATOM 461 CA GLN A 32 -7.337 2.075 3.912 1.00 0.89 C ATOM 462 C GLN A 32 -8.801 2.299 4.151 1.00 1.12 C ATOM 463 O GLN A 32 -9.464 3.254 3.738 1.00 1.44 O ATOM 464 CB GLN A 32 -6.645 3.417 3.670 1.00 1.14 C ATOM 465 CG GLN A 32 -5.140 3.384 3.859 1.00 1.54 C ATOM 466 CD GLN A 32 -4.519 4.768 3.803 1.00 2.11 C ATOM 467 OE1 GLN A 32 -4.994 5.653 3.086 1.00 2.63 O ATOM 468 NE2 GLN A 32 -3.469 4.974 4.578 1.00 2.71 N ATOM 0 H GLN A 32 -6.809 1.616 1.939 1.00 0.61 H new ATOM 0 HA GLN A 32 -6.890 1.614 4.793 1.00 0.89 H new ATOM 0 HB2 GLN A 32 -6.865 3.749 2.655 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -7.069 4.159 4.347 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -4.907 2.923 4.819 1.00 1.54 H new ATOM 0 HG3 GLN A 32 -4.693 2.757 3.087 1.00 1.54 H new ATOM 0 HE21 GLN A 32 -3.106 4.217 5.157 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -3.022 5.890 4.598 1.00 2.71 H new ATOM 477 N VAL A 33 -9.370 1.342 4.872 1.00 1.59 N ATOM 478 CA VAL A 33 -10.744 1.462 5.351 1.00 2.06 C ATOM 479 C VAL A 33 -10.753 2.342 6.578 1.00 2.56 C ATOM 480 O VAL A 33 -11.106 2.021 7.718 1.00 3.36 O ATOM 481 CB VAL A 33 -11.384 0.086 5.662 1.00 2.90 C ATOM 482 CG1 VAL A 33 -11.631 -0.687 4.375 1.00 3.48 C ATOM 483 CG2 VAL A 33 -10.512 -0.728 6.613 1.00 3.45 C ATOM 0 H VAL A 33 -8.904 0.475 5.139 1.00 1.59 H new ATOM 0 HA VAL A 33 -11.346 1.909 4.560 1.00 2.06 H new ATOM 0 HB VAL A 33 -12.340 0.264 6.154 1.00 2.90 H new ATOM 0 HG11 VAL A 33 -12.081 -1.651 4.611 1.00 3.48 H new ATOM 0 HG12 VAL A 33 -12.305 -0.119 3.733 1.00 3.48 H new ATOM 0 HG13 VAL A 33 -10.684 -0.845 3.858 1.00 3.48 H new ATOM 0 HG21 VAL A 33 -10.988 -1.688 6.812 1.00 3.45 H new ATOM 0 HG22 VAL A 33 -9.535 -0.895 6.159 1.00 3.45 H new ATOM 0 HG23 VAL A 33 -10.388 -0.184 7.549 1.00 3.45 H new HETATM 493 N HSL A 34 -10.316 3.570 6.324 1.00 2.62 N HETATM 494 CA HSL A 34 -10.119 4.706 7.137 1.00 3.49 C HETATM 495 C HSL A 34 -11.182 5.801 7.140 1.00 3.98 C HETATM 496 O HSL A 34 -12.352 5.614 6.785 1.00 4.33 O HETATM 497 CB HSL A 34 -8.788 5.415 7.131 1.00 4.03 C HETATM 498 CG HSL A 34 -8.965 6.816 7.652 1.00 4.92 C HETATM 499 OD HSL A 34 -10.490 7.077 7.651 1.00 4.86 O HETATM 0 HG3 HSL A 34 -8.552 6.915 8.656 1.00 4.92 H new HETATM 0 HG2 HSL A 34 -8.445 7.536 7.021 1.00 4.92 H new HETATM 0 HB3 HSL A 34 -8.072 4.873 7.749 1.00 4.03 H new HETATM 0 HB2 HSL A 34 -8.381 5.440 6.120 1.00 4.03 H new HETATM 0 HA HSL A 34 -10.192 4.106 8.044 1.00 3.49 H new TER 506 HSL A 34