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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 16 ASN : amide:sc= -1.8! C(o=-1.8!,f=-6.4!) USER MOD Single : A 23 GLN : amide:sc= -0.0209 K(o=-0.021,f=-2.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.102 (180deg=-0.606) USER MOD Single : A 32 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.501 5.190 -10.457 1.00 2.15 N ATOM 2 CA ALA A 1 2.545 3.792 -9.975 1.00 1.72 C ATOM 3 C ALA A 1 1.645 3.617 -8.782 1.00 1.26 C ATOM 4 O ALA A 1 1.946 3.834 -7.611 1.00 1.25 O ATOM 5 CB ALA A 1 3.976 3.398 -9.629 1.00 2.03 C ATOM 0 H1 ALA A 1 3.128 5.293 -11.281 1.00 2.15 H new ATOM 0 H2 ALA A 1 1.527 5.432 -10.730 1.00 2.15 H new ATOM 0 H3 ALA A 1 2.817 5.829 -9.699 1.00 2.15 H new ATOM 0 HA ALA A 1 2.188 3.138 -10.771 1.00 1.72 H new ATOM 0 HB1 ALA A 1 3.994 2.367 -9.276 1.00 2.03 H new ATOM 0 HB2 ALA A 1 4.603 3.489 -10.516 1.00 2.03 H new ATOM 0 HB3 ALA A 1 4.356 4.056 -8.847 1.00 2.03 H new ATOM 13 N CYS A 2 0.421 3.209 -9.098 1.00 1.05 N ATOM 14 CA CYS A 2 -0.591 2.954 -8.082 1.00 0.76 C ATOM 15 C CYS A 2 -0.542 1.520 -7.635 1.00 0.64 C ATOM 16 O CYS A 2 -0.820 0.531 -8.320 1.00 0.82 O ATOM 17 CB CYS A 2 -1.990 3.291 -8.601 1.00 0.94 C ATOM 18 SG CYS A 2 -2.528 5.005 -8.281 1.00 0.92 S ATOM 0 H CYS A 2 0.106 3.047 -10.054 1.00 1.05 H new ATOM 0 HA CYS A 2 -0.375 3.598 -7.230 1.00 0.76 H new ATOM 0 HB2 CYS A 2 -2.018 3.110 -9.676 1.00 0.94 H new ATOM 0 HB3 CYS A 2 -2.707 2.608 -8.144 1.00 0.94 H new ATOM 23 N GLY A 3 -0.120 1.376 -6.387 1.00 0.51 N ATOM 24 CA GLY A 3 -0.212 0.098 -5.715 1.00 0.60 C ATOM 25 C GLY A 3 -1.649 -0.223 -5.354 1.00 0.51 C ATOM 26 O GLY A 3 -2.314 0.576 -4.690 1.00 0.55 O ATOM 0 H GLY A 3 0.286 2.125 -5.827 1.00 0.51 H new ATOM 0 HA2 GLY A 3 0.189 -0.685 -6.359 1.00 0.60 H new ATOM 0 HA3 GLY A 3 0.399 0.113 -4.812 1.00 0.60 H new ATOM 30 N ILE A 4 -2.130 -1.372 -5.818 1.00 0.46 N ATOM 31 CA ILE A 4 -3.515 -1.791 -5.597 1.00 0.44 C ATOM 32 C ILE A 4 -3.624 -2.588 -4.318 1.00 0.39 C ATOM 33 O ILE A 4 -2.686 -2.925 -3.597 1.00 0.41 O ATOM 34 CB ILE A 4 -4.042 -2.622 -6.784 1.00 0.46 C ATOM 35 CG1 ILE A 4 -3.103 -3.797 -7.071 1.00 0.45 C ATOM 36 CG2 ILE A 4 -4.200 -1.734 -8.013 1.00 0.66 C ATOM 37 CD1 ILE A 4 -3.577 -4.705 -8.185 1.00 0.75 C ATOM 0 H ILE A 4 -1.576 -2.038 -6.356 1.00 0.46 H new ATOM 0 HA ILE A 4 -4.127 -0.893 -5.511 1.00 0.44 H new ATOM 0 HB ILE A 4 -5.020 -3.029 -6.527 1.00 0.46 H new ATOM 0 HG12 ILE A 4 -2.118 -3.407 -7.328 1.00 0.45 H new ATOM 0 HG13 ILE A 4 -2.986 -4.386 -6.161 1.00 0.45 H new ATOM 0 HG21 ILE A 4 -4.573 -2.329 -8.847 1.00 0.66 H new ATOM 0 HG22 ILE A 4 -4.906 -0.933 -7.795 1.00 0.66 H new ATOM 0 HG23 ILE A 4 -3.234 -1.304 -8.278 1.00 0.66 H new ATOM 0 HD11 ILE A 4 -2.858 -5.512 -8.327 1.00 0.75 H new ATOM 0 HD12 ILE A 4 -4.548 -5.126 -7.923 1.00 0.75 H new ATOM 0 HD13 ILE A 4 -3.667 -4.132 -9.108 1.00 0.75 H new ATOM 49 N LEU A 5 -4.878 -2.955 -4.022 1.00 0.45 N ATOM 50 CA LEU A 5 -5.256 -3.513 -2.712 1.00 0.57 C ATOM 51 C LEU A 5 -4.754 -4.930 -2.531 1.00 0.54 C ATOM 52 O LEU A 5 -5.101 -5.707 -1.643 1.00 0.78 O ATOM 53 CB LEU A 5 -6.782 -3.454 -2.529 1.00 0.72 C ATOM 54 CG LEU A 5 -7.600 -4.349 -3.467 1.00 0.75 C ATOM 55 CD1 LEU A 5 -8.054 -5.614 -2.754 1.00 1.02 C ATOM 56 CD2 LEU A 5 -8.791 -3.591 -4.030 1.00 1.25 C ATOM 0 H LEU A 5 -5.656 -2.875 -4.677 1.00 0.45 H new ATOM 0 HA LEU A 5 -4.780 -2.902 -1.945 1.00 0.57 H new ATOM 0 HB2 LEU A 5 -7.017 -3.727 -1.500 1.00 0.72 H new ATOM 0 HB3 LEU A 5 -7.106 -2.423 -2.667 1.00 0.72 H new ATOM 0 HG LEU A 5 -6.958 -4.643 -4.298 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -8.632 -6.231 -3.441 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -7.182 -6.171 -2.411 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -8.673 -5.347 -1.898 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -9.358 -4.245 -4.693 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -9.431 -3.260 -3.212 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -8.439 -2.724 -4.589 1.00 1.25 H new ATOM 68 N HIS A 6 -3.875 -5.309 -3.447 1.00 0.45 N ATOM 69 CA HIS A 6 -3.158 -6.577 -3.367 1.00 0.63 C ATOM 70 C HIS A 6 -1.935 -6.492 -4.238 1.00 0.57 C ATOM 71 O HIS A 6 -1.535 -7.351 -5.023 1.00 0.79 O ATOM 72 CB HIS A 6 -4.046 -7.779 -3.752 1.00 0.86 C ATOM 73 CG HIS A 6 -4.769 -7.639 -5.060 1.00 0.90 C ATOM 74 ND1 HIS A 6 -4.283 -8.116 -6.258 1.00 1.09 N ATOM 75 CD2 HIS A 6 -5.964 -7.076 -5.341 1.00 0.95 C ATOM 76 CE1 HIS A 6 -5.149 -7.848 -7.218 1.00 1.23 C ATOM 77 NE2 HIS A 6 -6.174 -7.219 -6.685 1.00 1.17 N ATOM 0 H HIS A 6 -3.638 -4.749 -4.266 1.00 0.45 H new ATOM 0 HA HIS A 6 -2.861 -6.749 -2.332 1.00 0.63 H new ATOM 0 HB2 HIS A 6 -3.424 -8.673 -3.791 1.00 0.86 H new ATOM 0 HB3 HIS A 6 -4.781 -7.936 -2.963 1.00 0.86 H new ATOM 0 HD2 HIS A 6 -6.630 -6.601 -4.636 1.00 0.95 H new ATOM 0 HE1 HIS A 6 -5.035 -8.102 -8.262 1.00 1.23 H new ATOM 0 HE2 HIS A 6 -6.995 -6.890 -7.193 1.00 1.17 H new ATOM 86 N ASP A 7 -1.290 -5.337 -4.111 1.00 0.37 N ATOM 87 CA ASP A 7 -0.056 -5.062 -4.832 1.00 0.33 C ATOM 88 C ASP A 7 1.062 -4.929 -3.840 1.00 0.31 C ATOM 89 O ASP A 7 0.999 -4.338 -2.762 1.00 0.44 O ATOM 90 CB ASP A 7 -0.185 -3.785 -5.664 1.00 0.39 C ATOM 91 CG ASP A 7 0.979 -3.585 -6.614 1.00 0.58 C ATOM 92 OD1 ASP A 7 1.697 -4.569 -6.896 1.00 0.97 O ATOM 93 OD2 ASP A 7 1.187 -2.441 -7.071 1.00 0.96 O ATOM 0 H ASP A 7 -1.605 -4.574 -3.512 1.00 0.37 H new ATOM 0 HA ASP A 7 0.153 -5.884 -5.517 1.00 0.33 H new ATOM 0 HB2 ASP A 7 -1.113 -3.821 -6.235 1.00 0.39 H new ATOM 0 HB3 ASP A 7 -0.255 -2.927 -4.996 1.00 0.39 H new ATOM 98 N ASN A 8 2.181 -5.527 -4.227 1.00 0.37 N ATOM 99 CA ASN A 8 3.357 -5.622 -3.364 1.00 0.39 C ATOM 100 C ASN A 8 3.962 -4.260 -3.150 1.00 0.41 C ATOM 101 O ASN A 8 4.227 -3.439 -4.034 1.00 0.57 O ATOM 102 CB ASN A 8 4.393 -6.573 -3.981 1.00 0.55 C ATOM 103 CG ASN A 8 3.916 -8.015 -4.034 1.00 1.40 C ATOM 104 OD1 ASN A 8 3.198 -8.481 -3.149 1.00 2.09 O ATOM 105 ND2 ASN A 8 4.302 -8.729 -5.080 1.00 2.19 N ATOM 0 H ASN A 8 2.302 -5.959 -5.143 1.00 0.37 H new ATOM 0 HA ASN A 8 3.048 -6.020 -2.398 1.00 0.39 H new ATOM 0 HB2 ASN A 8 4.631 -6.237 -4.990 1.00 0.55 H new ATOM 0 HB3 ASN A 8 5.315 -6.522 -3.402 1.00 0.55 H new ATOM 0 HD21 ASN A 8 4.004 -9.700 -5.173 1.00 2.19 H new ATOM 0 HD22 ASN A 8 4.897 -8.308 -5.793 1.00 2.19 H new ATOM 112 N CYS A 9 4.205 -3.975 -1.868 1.00 0.34 N ATOM 113 CA CYS A 9 4.815 -2.708 -1.469 1.00 0.41 C ATOM 114 C CYS A 9 5.564 -2.866 -0.166 1.00 0.44 C ATOM 115 O CYS A 9 5.259 -3.619 0.764 1.00 0.62 O ATOM 116 CB CYS A 9 3.754 -1.604 -1.327 1.00 0.59 C ATOM 117 SG CYS A 9 2.730 -1.709 0.182 1.00 1.11 S ATOM 0 H CYS A 9 3.989 -4.602 -1.093 1.00 0.34 H new ATOM 0 HA CYS A 9 5.517 -2.417 -2.251 1.00 0.41 H new ATOM 0 HB2 CYS A 9 4.254 -0.636 -1.342 1.00 0.59 H new ATOM 0 HB3 CYS A 9 3.098 -1.637 -2.197 1.00 0.59 H new ATOM 122 N VAL A 10 6.658 -2.114 -0.100 1.00 0.51 N ATOM 123 CA VAL A 10 7.411 -1.947 1.137 1.00 0.66 C ATOM 124 C VAL A 10 6.824 -0.772 1.877 1.00 0.62 C ATOM 125 O VAL A 10 6.472 0.289 1.357 1.00 0.93 O ATOM 126 CB VAL A 10 8.920 -1.722 0.873 1.00 0.93 C ATOM 127 CG1 VAL A 10 9.151 -0.503 -0.008 1.00 1.70 C ATOM 128 CG2 VAL A 10 9.684 -1.593 2.182 1.00 1.52 C ATOM 0 H VAL A 10 7.045 -1.607 -0.896 1.00 0.51 H new ATOM 0 HA VAL A 10 7.334 -2.858 1.731 1.00 0.66 H new ATOM 0 HB VAL A 10 9.298 -2.595 0.340 1.00 0.93 H new ATOM 0 HG11 VAL A 10 10.220 -0.372 -0.175 1.00 1.70 H new ATOM 0 HG12 VAL A 10 8.649 -0.645 -0.965 1.00 1.70 H new ATOM 0 HG13 VAL A 10 8.749 0.383 0.484 1.00 1.70 H new ATOM 0 HG21 VAL A 10 10.742 -1.436 1.972 1.00 1.52 H new ATOM 0 HG22 VAL A 10 9.296 -0.746 2.748 1.00 1.52 H new ATOM 0 HG23 VAL A 10 9.562 -2.505 2.766 1.00 1.52 H new ATOM 138 N TYR A 11 6.694 -0.960 3.188 1.00 0.92 N ATOM 139 CA TYR A 11 5.962 -0.012 4.026 1.00 1.15 C ATOM 140 C TYR A 11 6.725 1.286 4.164 1.00 1.00 C ATOM 141 O TYR A 11 7.430 1.630 5.113 1.00 1.61 O ATOM 142 CB TYR A 11 5.634 -0.631 5.398 1.00 1.97 C ATOM 143 CG TYR A 11 6.823 -0.866 6.308 1.00 2.55 C ATOM 144 CD1 TYR A 11 7.774 -1.825 5.986 1.00 2.90 C ATOM 145 CD2 TYR A 11 7.004 -0.128 7.473 1.00 3.30 C ATOM 146 CE1 TYR A 11 8.870 -2.042 6.792 1.00 3.82 C ATOM 147 CE2 TYR A 11 8.100 -0.343 8.289 1.00 4.26 C ATOM 148 CZ TYR A 11 8.976 -1.289 8.015 1.00 4.46 C ATOM 149 OH TYR A 11 10.130 -1.516 8.739 1.00 5.54 O ATOM 0 H TYR A 11 7.084 -1.756 3.692 1.00 0.92 H new ATOM 0 HA TYR A 11 5.015 0.217 3.538 1.00 1.15 H new ATOM 0 HB2 TYR A 11 4.928 0.021 5.912 1.00 1.97 H new ATOM 0 HB3 TYR A 11 5.128 -1.583 5.236 1.00 1.97 H new ATOM 0 HD1 TYR A 11 7.652 -2.412 5.087 1.00 2.90 H new ATOM 0 HD2 TYR A 11 6.278 0.624 7.745 1.00 3.30 H new ATOM 0 HE1 TYR A 11 9.629 -2.758 6.514 1.00 3.82 H new ATOM 0 HE2 TYR A 11 8.240 0.274 9.164 1.00 4.26 H new ATOM 0 HH TYR A 11 10.121 -0.966 9.550 1.00 5.54 H new ATOM 159 N VAL A 12 6.587 2.080 3.109 1.00 0.59 N ATOM 160 CA VAL A 12 7.155 3.422 3.065 1.00 0.92 C ATOM 161 C VAL A 12 6.075 4.413 2.707 1.00 0.73 C ATOM 162 O VAL A 12 5.549 4.542 1.601 1.00 1.16 O ATOM 163 CB VAL A 12 8.332 3.533 2.062 1.00 1.65 C ATOM 164 CG1 VAL A 12 9.532 2.737 2.555 1.00 2.26 C ATOM 165 CG2 VAL A 12 7.921 3.062 0.672 1.00 2.45 C ATOM 0 H VAL A 12 6.081 1.814 2.264 1.00 0.59 H new ATOM 0 HA VAL A 12 7.556 3.644 4.054 1.00 0.92 H new ATOM 0 HB VAL A 12 8.612 4.584 1.994 1.00 1.65 H new ATOM 0 HG11 VAL A 12 10.348 2.827 1.838 1.00 2.26 H new ATOM 0 HG12 VAL A 12 9.854 3.125 3.521 1.00 2.26 H new ATOM 0 HG13 VAL A 12 9.255 1.688 2.659 1.00 2.26 H new ATOM 0 HG21 VAL A 12 8.768 3.152 -0.008 1.00 2.45 H new ATOM 0 HG22 VAL A 12 7.604 2.020 0.720 1.00 2.45 H new ATOM 0 HG23 VAL A 12 7.097 3.676 0.309 1.00 2.45 H new ATOM 175 N PRO A 13 5.656 5.183 3.726 1.00 1.01 N ATOM 176 CA PRO A 13 4.632 6.218 3.556 1.00 1.29 C ATOM 177 C PRO A 13 5.143 7.407 2.784 1.00 1.09 C ATOM 178 O PRO A 13 4.510 8.039 1.930 1.00 1.07 O ATOM 179 CB PRO A 13 4.283 6.613 4.992 1.00 2.06 C ATOM 180 CG PRO A 13 5.499 6.291 5.787 1.00 2.35 C ATOM 181 CD PRO A 13 6.121 5.090 5.126 1.00 1.71 C ATOM 0 HA PRO A 13 3.777 5.858 2.983 1.00 1.29 H new ATOM 0 HB2 PRO A 13 4.036 7.672 5.061 1.00 2.06 H new ATOM 0 HB3 PRO A 13 3.417 6.059 5.354 1.00 2.06 H new ATOM 0 HG2 PRO A 13 6.192 7.132 5.798 1.00 2.35 H new ATOM 0 HG3 PRO A 13 5.241 6.076 6.824 1.00 2.35 H new ATOM 0 HD2 PRO A 13 7.209 5.116 5.190 1.00 1.71 H new ATOM 0 HD3 PRO A 13 5.796 4.161 5.595 1.00 1.71 H new ATOM 189 N ALA A 14 6.408 7.724 3.084 1.00 1.33 N ATOM 190 CA ALA A 14 7.093 8.893 2.528 1.00 1.64 C ATOM 191 C ALA A 14 6.902 8.963 1.037 1.00 1.58 C ATOM 192 O ALA A 14 6.487 9.939 0.406 1.00 1.81 O ATOM 193 CB ALA A 14 8.572 8.852 2.878 1.00 2.17 C ATOM 0 H ALA A 14 6.985 7.175 3.721 1.00 1.33 H new ATOM 0 HA ALA A 14 6.657 9.790 2.967 1.00 1.64 H new ATOM 0 HB1 ALA A 14 9.069 9.727 2.459 1.00 2.17 H new ATOM 0 HB2 ALA A 14 8.690 8.852 3.962 1.00 2.17 H new ATOM 0 HB3 ALA A 14 9.019 7.948 2.465 1.00 2.17 H new ATOM 199 N GLN A 15 7.217 7.839 0.412 1.00 1.44 N ATOM 200 CA GLN A 15 6.979 7.658 -1.011 1.00 1.44 C ATOM 201 C GLN A 15 6.074 6.471 -1.178 1.00 1.09 C ATOM 202 O GLN A 15 6.359 5.418 -1.747 1.00 1.16 O ATOM 203 CB GLN A 15 8.307 7.451 -1.755 1.00 1.84 C ATOM 204 CG GLN A 15 8.293 7.875 -3.225 1.00 2.46 C ATOM 205 CD GLN A 15 7.385 7.029 -4.098 1.00 2.98 C ATOM 206 OE1 GLN A 15 7.801 5.997 -4.630 1.00 3.41 O ATOM 207 NE2 GLN A 15 6.156 7.481 -4.290 1.00 3.57 N ATOM 0 H GLN A 15 7.641 7.033 0.872 1.00 1.44 H new ATOM 0 HA GLN A 15 6.508 8.545 -1.435 1.00 1.44 H new ATOM 0 HB2 GLN A 15 9.087 8.009 -1.238 1.00 1.84 H new ATOM 0 HB3 GLN A 15 8.578 6.397 -1.698 1.00 1.84 H new ATOM 0 HG2 GLN A 15 7.977 8.916 -3.290 1.00 2.46 H new ATOM 0 HG3 GLN A 15 9.309 7.825 -3.618 1.00 2.46 H new ATOM 0 HE21 GLN A 15 5.851 8.339 -3.831 1.00 3.57 H new ATOM 0 HE22 GLN A 15 5.514 6.971 -4.897 1.00 3.57 H new ATOM 216 N ASN A 16 4.884 6.636 -0.592 1.00 0.85 N ATOM 217 CA ASN A 16 3.841 5.611 -0.640 1.00 0.74 C ATOM 218 C ASN A 16 3.543 5.219 -2.071 1.00 0.63 C ATOM 219 O ASN A 16 3.113 5.974 -2.953 1.00 0.65 O ATOM 220 CB ASN A 16 2.570 6.112 0.046 1.00 0.93 C ATOM 221 CG ASN A 16 1.560 5.008 0.268 1.00 0.87 C ATOM 222 OD1 ASN A 16 0.717 4.732 -0.583 1.00 1.63 O ATOM 223 ND2 ASN A 16 1.639 4.373 1.425 1.00 1.28 N ATOM 0 H ASN A 16 4.620 7.476 -0.076 1.00 0.85 H new ATOM 0 HA ASN A 16 4.202 4.730 -0.109 1.00 0.74 H new ATOM 0 HB2 ASN A 16 2.831 6.560 1.005 1.00 0.93 H new ATOM 0 HB3 ASN A 16 2.118 6.897 -0.561 1.00 0.93 H new ATOM 0 HD21 ASN A 16 0.984 3.621 1.640 1.00 1.28 H new ATOM 0 HD22 ASN A 16 2.355 4.635 2.103 1.00 1.28 H new ATOM 230 N PRO A 17 3.796 3.928 -2.362 1.00 0.65 N ATOM 231 CA PRO A 17 3.616 3.351 -3.701 1.00 0.61 C ATOM 232 C PRO A 17 2.180 2.997 -3.996 1.00 0.60 C ATOM 233 O PRO A 17 1.709 2.733 -5.100 1.00 0.86 O ATOM 234 CB PRO A 17 4.462 2.087 -3.634 1.00 0.79 C ATOM 235 CG PRO A 17 4.342 1.657 -2.213 1.00 0.94 C ATOM 236 CD PRO A 17 4.299 2.923 -1.401 1.00 0.84 C ATOM 0 HA PRO A 17 3.900 4.048 -4.489 1.00 0.61 H new ATOM 0 HB2 PRO A 17 4.093 1.321 -4.317 1.00 0.79 H new ATOM 0 HB3 PRO A 17 5.499 2.284 -3.907 1.00 0.79 H new ATOM 0 HG2 PRO A 17 3.441 1.064 -2.059 1.00 0.94 H new ATOM 0 HG3 PRO A 17 5.187 1.034 -1.921 1.00 0.94 H new ATOM 0 HD2 PRO A 17 3.639 2.825 -0.539 1.00 0.84 H new ATOM 0 HD3 PRO A 17 5.285 3.190 -1.019 1.00 0.84 H new ATOM 244 N CYS A 18 1.409 2.983 -2.920 1.00 0.52 N ATOM 245 CA CYS A 18 0.010 2.602 -2.987 1.00 0.52 C ATOM 246 C CYS A 18 -0.798 3.757 -3.499 1.00 0.44 C ATOM 247 O CYS A 18 -0.562 4.952 -3.301 1.00 0.49 O ATOM 248 CB CYS A 18 -0.480 2.172 -1.608 1.00 0.71 C ATOM 249 SG CYS A 18 0.540 0.877 -0.839 1.00 1.03 S ATOM 0 H CYS A 18 1.732 3.233 -1.985 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.106 1.760 -3.670 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -0.501 3.042 -0.952 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -1.505 1.812 -1.693 1.00 0.71 H new ATOM 254 N CYS A 19 -1.837 3.389 -4.244 1.00 0.43 N ATOM 255 CA CYS A 19 -2.733 4.373 -4.832 1.00 0.44 C ATOM 256 C CYS A 19 -3.474 5.069 -3.724 1.00 0.40 C ATOM 257 O CYS A 19 -3.836 4.552 -2.661 1.00 0.41 O ATOM 258 CB CYS A 19 -3.701 3.705 -5.805 1.00 0.56 C ATOM 259 SG CYS A 19 -4.223 4.780 -7.181 1.00 1.12 S ATOM 0 H CYS A 19 -2.076 2.420 -4.453 1.00 0.43 H new ATOM 0 HA CYS A 19 -2.158 5.105 -5.399 1.00 0.44 H new ATOM 0 HB2 CYS A 19 -3.231 2.811 -6.214 1.00 0.56 H new ATOM 0 HB3 CYS A 19 -4.585 3.378 -5.257 1.00 0.56 H new ATOM 264 N ARG A 20 -3.705 6.357 -3.976 1.00 0.50 N ATOM 265 CA ARG A 20 -4.268 7.261 -2.974 1.00 0.57 C ATOM 266 C ARG A 20 -5.590 6.732 -2.491 1.00 0.49 C ATOM 267 O ARG A 20 -6.640 6.682 -3.140 1.00 0.63 O ATOM 268 CB ARG A 20 -4.413 8.679 -3.547 1.00 0.81 C ATOM 269 CG ARG A 20 -4.618 9.763 -2.492 1.00 1.60 C ATOM 270 CD ARG A 20 -6.025 9.747 -1.922 1.00 2.27 C ATOM 271 NE ARG A 20 -6.156 10.590 -0.736 1.00 2.90 N ATOM 272 CZ ARG A 20 -7.303 10.772 -0.080 1.00 3.86 C ATOM 273 NH1 ARG A 20 -8.434 10.277 -0.572 1.00 4.34 N ATOM 274 NH2 ARG A 20 -7.321 11.473 1.046 1.00 4.72 N ATOM 0 H ARG A 20 -3.509 6.801 -4.873 1.00 0.50 H new ATOM 0 HA ARG A 20 -3.589 7.315 -2.123 1.00 0.57 H new ATOM 0 HB2 ARG A 20 -3.522 8.917 -4.128 1.00 0.81 H new ATOM 0 HB3 ARG A 20 -5.257 8.695 -4.237 1.00 0.81 H new ATOM 0 HG2 ARG A 20 -3.899 9.623 -1.685 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -4.417 10.740 -2.933 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -6.727 10.086 -2.684 1.00 2.27 H new ATOM 0 HD3 ARG A 20 -6.300 8.723 -1.669 1.00 2.27 H new ATOM 0 HE ARG A 20 -5.323 11.066 -0.390 1.00 2.90 H new ATOM 0 HH11 ARG A 20 -8.424 9.759 -1.450 1.00 4.34 H new ATOM 0 HH12 ARG A 20 -9.312 10.416 -0.071 1.00 4.34 H new ATOM 0 HH21 ARG A 20 -6.457 11.874 1.411 1.00 4.72 H new ATOM 0 HH22 ARG A 20 -8.199 11.611 1.547 1.00 4.72 H new ATOM 288 N GLY A 21 -5.539 6.295 -1.240 1.00 0.42 N ATOM 289 CA GLY A 21 -6.685 5.682 -0.601 1.00 0.43 C ATOM 290 C GLY A 21 -6.341 4.319 -0.038 1.00 0.40 C ATOM 291 O GLY A 21 -7.116 3.729 0.722 1.00 0.55 O ATOM 0 H GLY A 21 -4.710 6.356 -0.649 1.00 0.42 H new ATOM 0 HA2 GLY A 21 -7.045 6.328 0.200 1.00 0.43 H new ATOM 0 HA3 GLY A 21 -7.497 5.585 -1.322 1.00 0.43 H new ATOM 295 N LEU A 22 -5.173 3.817 -0.423 1.00 0.31 N ATOM 296 CA LEU A 22 -4.697 2.526 0.043 1.00 0.33 C ATOM 297 C LEU A 22 -3.494 2.717 0.931 1.00 0.39 C ATOM 298 O LEU A 22 -2.640 3.602 0.816 1.00 0.50 O ATOM 299 CB LEU A 22 -4.358 1.628 -1.151 1.00 0.38 C ATOM 300 CG LEU A 22 -5.508 1.414 -2.143 1.00 0.48 C ATOM 301 CD1 LEU A 22 -5.056 0.558 -3.310 1.00 1.25 C ATOM 302 CD2 LEU A 22 -6.704 0.776 -1.451 1.00 1.15 C ATOM 0 H LEU A 22 -4.536 4.292 -1.062 1.00 0.31 H new ATOM 0 HA LEU A 22 -5.481 2.039 0.623 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -3.512 2.062 -1.685 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -4.034 0.657 -0.777 1.00 0.38 H new ATOM 0 HG LEU A 22 -5.811 2.389 -2.526 1.00 0.48 H new ATOM 0 HD11 LEU A 22 -5.887 0.418 -4.002 1.00 1.25 H new ATOM 0 HD12 LEU A 22 -4.233 1.052 -3.826 1.00 1.25 H new ATOM 0 HD13 LEU A 22 -4.723 -0.412 -2.942 1.00 1.25 H new ATOM 0 HD21 LEU A 22 -7.508 0.633 -2.173 1.00 1.15 H new ATOM 0 HD22 LEU A 22 -6.412 -0.189 -1.037 1.00 1.15 H new ATOM 0 HD23 LEU A 22 -7.049 1.427 -0.647 1.00 1.15 H new ATOM 314 N GLN A 23 -3.419 1.820 1.910 1.00 0.43 N ATOM 315 CA GLN A 23 -2.360 1.830 2.914 1.00 0.54 C ATOM 316 C GLN A 23 -1.398 0.708 2.629 1.00 0.41 C ATOM 317 O GLN A 23 -1.713 -0.439 2.318 1.00 0.42 O ATOM 318 CB GLN A 23 -2.961 1.663 4.310 1.00 0.76 C ATOM 319 CG GLN A 23 -1.945 1.761 5.434 1.00 1.45 C ATOM 320 CD GLN A 23 -2.573 1.543 6.795 1.00 2.11 C ATOM 321 OE1 GLN A 23 -3.750 1.840 7.006 1.00 2.66 O ATOM 322 NE2 GLN A 23 -1.796 1.027 7.731 1.00 2.84 N ATOM 0 H GLN A 23 -4.093 1.064 2.030 1.00 0.43 H new ATOM 0 HA GLN A 23 -1.830 2.782 2.875 1.00 0.54 H new ATOM 0 HB2 GLN A 23 -3.727 2.424 4.458 1.00 0.76 H new ATOM 0 HB3 GLN A 23 -3.459 0.695 4.367 1.00 0.76 H new ATOM 0 HG2 GLN A 23 -1.159 1.022 5.276 1.00 1.45 H new ATOM 0 HG3 GLN A 23 -1.471 2.742 5.408 1.00 1.45 H new ATOM 0 HE21 GLN A 23 -0.826 0.794 7.517 1.00 2.84 H new ATOM 0 HE22 GLN A 23 -2.166 0.862 8.667 1.00 2.84 H new ATOM 331 N CYS A 24 -0.122 1.043 2.755 1.00 0.46 N ATOM 332 CA CYS A 24 0.943 0.093 2.472 1.00 0.44 C ATOM 333 C CYS A 24 1.337 -0.622 3.728 1.00 0.40 C ATOM 334 O CYS A 24 1.911 -0.127 4.707 1.00 0.57 O ATOM 335 CB CYS A 24 2.156 0.797 1.862 1.00 0.61 C ATOM 336 SG CYS A 24 3.536 -0.317 1.428 1.00 1.14 S ATOM 0 H CYS A 24 0.200 1.964 3.051 1.00 0.46 H new ATOM 0 HA CYS A 24 0.573 -0.633 1.748 1.00 0.44 H new ATOM 0 HB2 CYS A 24 1.839 1.329 0.965 1.00 0.61 H new ATOM 0 HB3 CYS A 24 2.518 1.546 2.566 1.00 0.61 H new ATOM 341 N ARG A 25 0.976 -1.894 3.730 1.00 0.35 N ATOM 342 CA ARG A 25 1.425 -2.820 4.750 1.00 0.45 C ATOM 343 C ARG A 25 2.604 -3.545 4.190 1.00 0.43 C ATOM 344 O ARG A 25 2.686 -3.961 3.041 1.00 0.56 O ATOM 345 CB ARG A 25 0.309 -3.803 5.119 1.00 0.57 C ATOM 346 CG ARG A 25 -0.834 -3.172 5.901 1.00 1.37 C ATOM 347 CD ARG A 25 -0.344 -2.607 7.223 1.00 1.70 C ATOM 348 NE ARG A 25 -1.441 -2.240 8.120 1.00 2.29 N ATOM 349 CZ ARG A 25 -1.258 -1.699 9.327 1.00 2.97 C ATOM 350 NH1 ARG A 25 -0.035 -1.385 9.734 1.00 3.32 N ATOM 351 NH2 ARG A 25 -2.298 -1.445 10.109 1.00 3.76 N ATOM 0 H ARG A 25 0.366 -2.310 3.027 1.00 0.35 H new ATOM 0 HA ARG A 25 1.696 -2.289 5.662 1.00 0.45 H new ATOM 0 HB2 ARG A 25 -0.089 -4.245 4.206 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.734 -4.616 5.708 1.00 0.57 H new ATOM 0 HG2 ARG A 25 -1.289 -2.378 5.309 1.00 1.37 H new ATOM 0 HG3 ARG A 25 -1.608 -3.917 6.085 1.00 1.37 H new ATOM 0 HD2 ARG A 25 0.292 -3.343 7.715 1.00 1.70 H new ATOM 0 HD3 ARG A 25 0.273 -1.729 7.032 1.00 1.70 H new ATOM 0 HE ARG A 25 -2.397 -2.407 7.806 1.00 2.29 H new ATOM 0 HH11 ARG A 25 0.765 -1.557 9.125 1.00 3.32 H new ATOM 0 HH12 ARG A 25 0.105 -0.972 10.656 1.00 3.32 H new ATOM 0 HH21 ARG A 25 -3.242 -1.663 9.789 1.00 3.76 H new ATOM 0 HH22 ARG A 25 -2.154 -1.032 11.030 1.00 3.76 H new ATOM 365 N TYR A 26 3.619 -3.695 5.046 1.00 0.57 N ATOM 366 CA TYR A 26 4.887 -4.304 4.637 1.00 0.66 C ATOM 367 C TYR A 26 4.642 -5.614 3.935 1.00 0.54 C ATOM 368 O TYR A 26 4.413 -6.701 4.466 1.00 0.68 O ATOM 369 CB TYR A 26 5.846 -4.476 5.828 1.00 0.94 C ATOM 370 CG TYR A 26 5.288 -5.227 7.022 1.00 1.57 C ATOM 371 CD1 TYR A 26 4.546 -4.570 7.998 1.00 2.34 C ATOM 372 CD2 TYR A 26 5.530 -6.585 7.192 1.00 2.25 C ATOM 373 CE1 TYR A 26 4.062 -5.245 9.106 1.00 3.40 C ATOM 374 CE2 TYR A 26 5.046 -7.266 8.292 1.00 3.35 C ATOM 375 CZ TYR A 26 4.315 -6.593 9.247 1.00 3.83 C ATOM 376 OH TYR A 26 3.843 -7.271 10.353 1.00 5.02 O ATOM 0 H TYR A 26 3.587 -3.404 6.023 1.00 0.57 H new ATOM 0 HA TYR A 26 5.372 -3.627 3.934 1.00 0.66 H new ATOM 0 HB2 TYR A 26 6.738 -4.997 5.480 1.00 0.94 H new ATOM 0 HB3 TYR A 26 6.163 -3.488 6.160 1.00 0.94 H new ATOM 0 HD1 TYR A 26 4.344 -3.515 7.890 1.00 2.34 H new ATOM 0 HD2 TYR A 26 6.107 -7.118 6.450 1.00 2.25 H new ATOM 0 HE1 TYR A 26 3.490 -4.719 9.855 1.00 3.40 H new ATOM 0 HE2 TYR A 26 5.240 -8.323 8.403 1.00 3.35 H new ATOM 0 HH TYR A 26 4.108 -8.213 10.297 1.00 5.02 H new ATOM 386 N GLY A 27 4.652 -5.489 2.614 1.00 0.43 N ATOM 387 CA GLY A 27 4.388 -6.612 1.748 1.00 0.42 C ATOM 388 C GLY A 27 3.428 -6.250 0.632 1.00 0.34 C ATOM 389 O GLY A 27 3.689 -6.554 -0.532 1.00 0.39 O ATOM 0 H GLY A 27 4.842 -4.614 2.125 1.00 0.43 H new ATOM 0 HA2 GLY A 27 5.325 -6.969 1.320 1.00 0.42 H new ATOM 0 HA3 GLY A 27 3.972 -7.432 2.333 1.00 0.42 H new ATOM 393 N LYS A 28 2.342 -5.563 0.979 1.00 0.32 N ATOM 394 CA LYS A 28 1.284 -5.262 0.017 1.00 0.38 C ATOM 395 C LYS A 28 0.435 -4.105 0.489 1.00 0.29 C ATOM 396 O LYS A 28 0.257 -3.751 1.664 1.00 0.28 O ATOM 397 CB LYS A 28 0.398 -6.493 -0.201 1.00 0.60 C ATOM 398 CG LYS A 28 -0.267 -6.988 1.070 1.00 0.68 C ATOM 399 CD LYS A 28 -1.175 -8.172 0.803 1.00 1.17 C ATOM 400 CE LYS A 28 -1.675 -8.777 2.103 1.00 1.65 C ATOM 401 NZ LYS A 28 -0.554 -9.244 2.967 1.00 2.20 N ATOM 0 H LYS A 28 2.171 -5.204 1.919 1.00 0.32 H new ATOM 0 HA LYS A 28 1.757 -4.985 -0.925 1.00 0.38 H new ATOM 0 HB2 LYS A 28 -0.371 -6.253 -0.935 1.00 0.60 H new ATOM 0 HB3 LYS A 28 1.002 -7.296 -0.623 1.00 0.60 H new ATOM 0 HG2 LYS A 28 0.497 -7.271 1.794 1.00 0.68 H new ATOM 0 HG3 LYS A 28 -0.845 -6.179 1.517 1.00 0.68 H new ATOM 0 HD2 LYS A 28 -2.023 -7.855 0.195 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -0.636 -8.926 0.230 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -2.266 -8.038 2.644 1.00 1.65 H new ATOM 0 HE3 LYS A 28 -2.337 -9.615 1.883 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -0.918 -9.908 3.679 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 0.160 -9.722 2.381 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 -0.120 -8.428 3.444 1.00 2.20 H new ATOM 415 N CYS A 29 -0.144 -3.454 -0.514 1.00 0.32 N ATOM 416 CA CYS A 29 -1.091 -2.369 -0.294 1.00 0.33 C ATOM 417 C CYS A 29 -2.436 -2.948 0.040 1.00 0.34 C ATOM 418 O CYS A 29 -2.951 -3.926 -0.497 1.00 0.52 O ATOM 419 CB CYS A 29 -1.212 -1.490 -1.542 1.00 0.48 C ATOM 420 SG CYS A 29 0.345 -0.716 -2.080 1.00 0.95 S ATOM 0 H CYS A 29 0.029 -3.663 -1.497 1.00 0.32 H new ATOM 0 HA CYS A 29 -0.731 -1.753 0.530 1.00 0.33 H new ATOM 0 HB2 CYS A 29 -1.603 -2.095 -2.360 1.00 0.48 H new ATOM 0 HB3 CYS A 29 -1.944 -0.706 -1.348 1.00 0.48 H new ATOM 425 N LEU A 30 -3.066 -2.302 1.008 1.00 0.32 N ATOM 426 CA LEU A 30 -4.391 -2.691 1.467 1.00 0.38 C ATOM 427 C LEU A 30 -5.272 -1.476 1.504 1.00 0.33 C ATOM 428 O LEU A 30 -4.885 -0.307 1.505 1.00 0.45 O ATOM 429 CB LEU A 30 -4.310 -3.324 2.861 1.00 0.53 C ATOM 430 CG LEU A 30 -3.538 -4.643 2.940 1.00 0.82 C ATOM 431 CD1 LEU A 30 -3.423 -5.107 4.381 1.00 1.35 C ATOM 432 CD2 LEU A 30 -4.209 -5.710 2.091 1.00 1.19 C ATOM 0 H LEU A 30 -2.676 -1.496 1.496 1.00 0.32 H new ATOM 0 HA LEU A 30 -4.809 -3.428 0.781 1.00 0.38 H new ATOM 0 HB2 LEU A 30 -3.844 -2.609 3.539 1.00 0.53 H new ATOM 0 HB3 LEU A 30 -5.324 -3.494 3.224 1.00 0.53 H new ATOM 0 HG LEU A 30 -2.534 -4.475 2.549 1.00 0.82 H new ATOM 0 HD11 LEU A 30 -2.871 -6.046 4.418 1.00 1.35 H new ATOM 0 HD12 LEU A 30 -2.895 -4.353 4.965 1.00 1.35 H new ATOM 0 HD13 LEU A 30 -4.420 -5.255 4.796 1.00 1.35 H new ATOM 0 HD21 LEU A 30 -3.644 -6.640 2.161 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -5.225 -5.875 2.450 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -4.240 -5.382 1.052 1.00 1.19 H new ATOM 444 N VAL A 31 -6.571 -1.754 1.545 1.00 0.44 N ATOM 445 CA VAL A 31 -7.587 -0.706 1.571 1.00 0.51 C ATOM 446 C VAL A 31 -7.550 0.026 2.889 1.00 0.58 C ATOM 447 O VAL A 31 -7.857 -0.440 3.993 1.00 0.86 O ATOM 448 CB VAL A 31 -9.004 -1.269 1.315 1.00 0.82 C ATOM 449 CG1 VAL A 31 -9.156 -1.693 -0.139 1.00 1.54 C ATOM 450 CG2 VAL A 31 -9.299 -2.445 2.239 1.00 1.54 C ATOM 0 H VAL A 31 -6.947 -2.702 1.561 1.00 0.44 H new ATOM 0 HA VAL A 31 -7.358 -0.009 0.765 1.00 0.51 H new ATOM 0 HB VAL A 31 -9.723 -0.478 1.527 1.00 0.82 H new ATOM 0 HG11 VAL A 31 -10.160 -2.087 -0.300 1.00 1.54 H new ATOM 0 HG12 VAL A 31 -8.995 -0.832 -0.788 1.00 1.54 H new ATOM 0 HG13 VAL A 31 -8.422 -2.464 -0.372 1.00 1.54 H new ATOM 0 HG21 VAL A 31 -10.302 -2.823 2.039 1.00 1.54 H new ATOM 0 HG22 VAL A 31 -8.571 -3.237 2.063 1.00 1.54 H new ATOM 0 HG23 VAL A 31 -9.235 -2.117 3.277 1.00 1.54 H new ATOM 460 N GLN A 32 -7.137 1.286 2.787 1.00 0.61 N ATOM 461 CA GLN A 32 -7.006 2.146 3.957 1.00 0.89 C ATOM 462 C GLN A 32 -8.341 2.771 4.270 1.00 1.12 C ATOM 463 O GLN A 32 -8.623 3.969 4.195 1.00 1.44 O ATOM 464 CB GLN A 32 -5.935 3.216 3.731 1.00 1.14 C ATOM 465 CG GLN A 32 -5.644 4.066 4.961 1.00 1.54 C ATOM 466 CD GLN A 32 -4.451 4.985 4.773 1.00 2.11 C ATOM 467 OE1 GLN A 32 -4.154 5.425 3.661 1.00 2.63 O ATOM 468 NE2 GLN A 32 -3.753 5.274 5.857 1.00 2.71 N ATOM 0 H GLN A 32 -6.887 1.734 1.905 1.00 0.61 H new ATOM 0 HA GLN A 32 -6.689 1.545 4.809 1.00 0.89 H new ATOM 0 HB2 GLN A 32 -5.013 2.731 3.410 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -6.253 3.868 2.917 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -6.523 4.664 5.200 1.00 1.54 H new ATOM 0 HG3 GLN A 32 -5.462 3.412 5.814 1.00 1.54 H new ATOM 0 HE21 GLN A 32 -4.031 4.890 6.760 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -2.936 5.881 5.791 1.00 2.71 H new ATOM 477 N VAL A 33 -9.257 1.877 4.632 1.00 1.59 N ATOM 478 CA VAL A 33 -10.598 2.259 5.058 1.00 2.06 C ATOM 479 C VAL A 33 -10.964 1.475 6.291 1.00 2.56 C ATOM 480 O VAL A 33 -10.496 0.377 6.615 1.00 3.36 O ATOM 481 CB VAL A 33 -11.664 2.031 3.954 1.00 2.90 C ATOM 482 CG1 VAL A 33 -11.450 2.989 2.792 1.00 3.48 C ATOM 483 CG2 VAL A 33 -11.653 0.590 3.465 1.00 3.45 C ATOM 0 H VAL A 33 -9.090 0.871 4.638 1.00 1.59 H new ATOM 0 HA VAL A 33 -10.586 3.328 5.271 1.00 2.06 H new ATOM 0 HB VAL A 33 -12.642 2.230 4.392 1.00 2.90 H new ATOM 0 HG11 VAL A 33 -12.209 2.811 2.030 1.00 3.48 H new ATOM 0 HG12 VAL A 33 -11.527 4.016 3.148 1.00 3.48 H new ATOM 0 HG13 VAL A 33 -10.461 2.827 2.364 1.00 3.48 H new ATOM 0 HG21 VAL A 33 -12.411 0.462 2.692 1.00 3.45 H new ATOM 0 HG22 VAL A 33 -10.672 0.353 3.054 1.00 3.45 H new ATOM 0 HG23 VAL A 33 -11.868 -0.079 4.298 1.00 3.45 H new HETATM 493 N HSL A 34 -11.871 2.073 7.052 1.00 2.62 N HETATM 494 CA HSL A 34 -12.285 1.369 8.445 1.00 3.49 C HETATM 495 C HSL A 34 -13.664 0.723 8.548 1.00 3.98 C HETATM 496 O HSL A 34 -14.137 -0.015 7.676 1.00 4.33 O HETATM 497 CB HSL A 34 -12.299 2.540 9.395 1.00 4.03 C HETATM 498 CG HSL A 34 -13.375 2.334 10.427 1.00 4.92 C HETATM 499 OD HSL A 34 -14.259 1.184 9.891 1.00 4.86 O HETATM 0 HG3 HSL A 34 -12.944 2.077 11.395 1.00 4.92 H new HETATM 0 HG2 HSL A 34 -13.960 3.243 10.569 1.00 4.92 H new HETATM 0 HB3 HSL A 34 -11.328 2.640 9.881 1.00 4.03 H new HETATM 0 HB2 HSL A 34 -12.478 3.465 8.847 1.00 4.03 H new HETATM 0 HA HSL A 34 -11.597 0.542 8.618 1.00 3.49 H new TER 506 HSL A 34