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 :FLIP no HD1:sc= -0.0141 F(o=-0.94,f=-0.014) USER MOD Single : A 8 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0029 K(o=-0.0029,f=-0.93) USER MOD Single : A 16 ASN : amide:sc= -0.92 K(o=-0.92,f=-6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) 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 Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.722 2.778 -12.528 1.00 2.15 N ATOM 2 CA ALA A 1 0.773 1.950 -11.752 1.00 1.72 C ATOM 3 C ALA A 1 1.070 2.048 -10.282 1.00 1.26 C ATOM 4 O ALA A 1 2.103 1.666 -9.727 1.00 1.25 O ATOM 5 CB ALA A 1 0.827 0.500 -12.210 1.00 2.03 C ATOM 0 H1 ALA A 1 1.503 2.699 -13.542 1.00 2.15 H new ATOM 0 H2 ALA A 1 1.638 3.771 -12.232 1.00 2.15 H new ATOM 0 H3 ALA A 1 2.693 2.446 -12.357 1.00 2.15 H new ATOM 0 HA ALA A 1 -0.234 2.328 -11.928 1.00 1.72 H new ATOM 0 HB1 ALA A 1 0.122 -0.092 -11.627 1.00 2.03 H new ATOM 0 HB2 ALA A 1 0.563 0.442 -13.266 1.00 2.03 H new ATOM 0 HB3 ALA A 1 1.835 0.110 -12.066 1.00 2.03 H new ATOM 13 N CYS A 2 0.100 2.622 -9.582 1.00 1.05 N ATOM 14 CA CYS A 2 0.177 2.764 -8.134 1.00 0.76 C ATOM 15 C CYS A 2 -0.225 1.468 -7.475 1.00 0.64 C ATOM 16 O CYS A 2 -0.908 0.573 -7.984 1.00 0.82 O ATOM 17 CB CYS A 2 -0.713 3.919 -7.661 1.00 0.94 C ATOM 18 SG CYS A 2 -2.412 3.889 -8.327 1.00 0.92 S ATOM 0 H CYS A 2 -0.753 2.998 -9.996 1.00 1.05 H new ATOM 0 HA CYS A 2 1.204 2.996 -7.851 1.00 0.76 H new ATOM 0 HB2 CYS A 2 -0.763 3.900 -6.572 1.00 0.94 H new ATOM 0 HB3 CYS A 2 -0.243 4.861 -7.942 1.00 0.94 H new ATOM 23 N GLY A 3 0.266 1.333 -6.243 1.00 0.51 N ATOM 24 CA GLY A 3 0.009 0.149 -5.443 1.00 0.60 C ATOM 25 C GLY A 3 -1.461 -0.036 -5.130 1.00 0.51 C ATOM 26 O GLY A 3 -2.116 0.876 -4.614 1.00 0.55 O ATOM 0 H GLY A 3 0.845 2.035 -5.782 1.00 0.51 H new ATOM 0 HA2 GLY A 3 0.377 -0.730 -5.973 1.00 0.60 H new ATOM 0 HA3 GLY A 3 0.569 0.217 -4.510 1.00 0.60 H new ATOM 30 N ILE A 4 -1.968 -1.217 -5.453 1.00 0.46 N ATOM 31 CA ILE A 4 -3.368 -1.554 -5.241 1.00 0.44 C ATOM 32 C ILE A 4 -3.497 -2.543 -4.107 1.00 0.39 C ATOM 33 O ILE A 4 -2.569 -3.087 -3.505 1.00 0.41 O ATOM 34 CB ILE A 4 -4.000 -2.147 -6.520 1.00 0.46 C ATOM 35 CG1 ILE A 4 -3.165 -3.325 -7.031 1.00 0.45 C ATOM 36 CG2 ILE A 4 -4.140 -1.073 -7.590 1.00 0.66 C ATOM 37 CD1 ILE A 4 -3.707 -3.960 -8.294 1.00 0.75 C ATOM 0 H ILE A 4 -1.420 -1.969 -5.870 1.00 0.46 H new ATOM 0 HA ILE A 4 -3.899 -0.636 -4.988 1.00 0.44 H new ATOM 0 HB ILE A 4 -4.997 -2.517 -6.279 1.00 0.46 H new ATOM 0 HG12 ILE A 4 -2.147 -2.982 -7.216 1.00 0.45 H new ATOM 0 HG13 ILE A 4 -3.109 -4.083 -6.250 1.00 0.45 H new ATOM 0 HG21 ILE A 4 -4.587 -1.507 -8.485 1.00 0.66 H new ATOM 0 HG22 ILE A 4 -4.777 -0.270 -7.219 1.00 0.66 H new ATOM 0 HG23 ILE A 4 -3.156 -0.672 -7.834 1.00 0.66 H new ATOM 0 HD11 ILE A 4 -3.061 -4.786 -8.592 1.00 0.75 H new ATOM 0 HD12 ILE A 4 -4.714 -4.335 -8.110 1.00 0.75 H new ATOM 0 HD13 ILE A 4 -3.737 -3.217 -9.091 1.00 0.75 H new ATOM 49 N LEU A 5 -4.768 -2.834 -3.824 1.00 0.45 N ATOM 50 CA LEU A 5 -5.188 -3.581 -2.630 1.00 0.57 C ATOM 51 C LEU A 5 -4.692 -5.013 -2.609 1.00 0.54 C ATOM 52 O LEU A 5 -4.982 -5.847 -1.747 1.00 0.78 O ATOM 53 CB LEU A 5 -6.716 -3.571 -2.521 1.00 0.72 C ATOM 54 CG LEU A 5 -7.469 -4.101 -3.747 1.00 0.75 C ATOM 55 CD1 LEU A 5 -8.692 -4.898 -3.321 1.00 1.02 C ATOM 56 CD2 LEU A 5 -7.888 -2.955 -4.659 1.00 1.25 C ATOM 0 H LEU A 5 -5.546 -2.556 -4.422 1.00 0.45 H new ATOM 0 HA LEU A 5 -4.737 -3.076 -1.776 1.00 0.57 H new ATOM 0 HB2 LEU A 5 -7.005 -4.165 -1.654 1.00 0.72 H new ATOM 0 HB3 LEU A 5 -7.042 -2.549 -2.330 1.00 0.72 H new ATOM 0 HG LEU A 5 -6.796 -4.758 -4.298 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -9.213 -5.266 -4.205 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -8.380 -5.742 -2.706 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -9.361 -4.258 -2.746 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -8.421 -3.353 -5.523 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -8.541 -2.275 -4.112 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -7.003 -2.416 -4.996 1.00 1.25 H new ATOM 68 N HIS A 6 -3.900 -5.354 -3.619 1.00 0.45 N ATOM 69 CA HIS A 6 -3.275 -6.677 -3.688 1.00 0.63 C ATOM 70 C HIS A 6 -1.995 -6.592 -4.466 1.00 0.57 C ATOM 71 O HIS A 6 -1.549 -7.451 -5.227 1.00 0.79 O ATOM 72 CB HIS A 6 -4.218 -7.738 -4.291 1.00 0.86 C ATOM 73 CG HIS A 6 -4.826 -7.384 -5.619 1.00 0.90 C ATOM 74 ND1 HIS A 6 -5.981 -6.746 -5.913 1.00 1.09 N flip ATOM 75 CD2 HIS A 6 -4.251 -7.702 -6.834 1.00 0.95 C flip ATOM 76 CE1 HIS A 6 -6.084 -6.691 -7.278 1.00 1.23 C flip ATOM 77 NE2 HIS A 6 -5.030 -7.273 -7.811 1.00 1.17 N flip ATOM 0 H HIS A 6 -3.674 -4.738 -4.400 1.00 0.45 H new ATOM 0 HA HIS A 6 -3.057 -6.998 -2.670 1.00 0.63 H new ATOM 0 HB2 HIS A 6 -3.664 -8.670 -4.402 1.00 0.86 H new ATOM 0 HB3 HIS A 6 -5.023 -7.928 -3.582 1.00 0.86 H new ATOM 0 HD2 HIS A 6 -3.312 -8.220 -6.965 1.00 0.95 H new ATOM 0 HE1 HIS A 6 -6.898 -6.243 -7.828 1.00 1.23 H new ATOM 0 HE2 HIS A 6 -4.846 -7.375 -8.809 1.00 1.17 H new ATOM 86 N ASP A 7 -1.334 -5.461 -4.266 1.00 0.37 N ATOM 87 CA ASP A 7 -0.058 -5.195 -4.918 1.00 0.33 C ATOM 88 C ASP A 7 1.032 -5.198 -3.886 1.00 0.31 C ATOM 89 O ASP A 7 0.955 -4.704 -2.754 1.00 0.44 O ATOM 90 CB ASP A 7 -0.096 -3.850 -5.647 1.00 0.39 C ATOM 91 CG ASP A 7 1.168 -3.576 -6.438 1.00 0.58 C ATOM 92 OD1 ASP A 7 1.484 -4.368 -7.355 1.00 0.96 O ATOM 93 OD2 ASP A 7 1.843 -2.573 -6.148 1.00 0.97 O ATOM 0 H ASP A 7 -1.660 -4.711 -3.656 1.00 0.37 H new ATOM 0 HA ASP A 7 0.137 -5.973 -5.656 1.00 0.33 H new ATOM 0 HB2 ASP A 7 -0.952 -3.831 -6.321 1.00 0.39 H new ATOM 0 HB3 ASP A 7 -0.245 -3.052 -4.920 1.00 0.39 H new ATOM 98 N ASN A 8 2.133 -5.832 -4.287 1.00 0.37 N ATOM 99 CA ASN A 8 3.344 -5.910 -3.466 1.00 0.39 C ATOM 100 C ASN A 8 3.807 -4.524 -3.120 1.00 0.41 C ATOM 101 O ASN A 8 3.952 -3.597 -3.918 1.00 0.57 O ATOM 102 CB ASN A 8 4.456 -6.650 -4.218 1.00 0.55 C ATOM 103 CG ASN A 8 5.726 -6.781 -3.397 1.00 1.40 C ATOM 104 OD1 ASN A 8 5.918 -7.767 -2.685 1.00 2.09 O ATOM 105 ND2 ASN A 8 6.601 -5.791 -3.486 1.00 2.19 N ATOM 0 H ASN A 8 2.212 -6.305 -5.187 1.00 0.37 H new ATOM 0 HA ASN A 8 3.113 -6.459 -2.553 1.00 0.39 H new ATOM 0 HB2 ASN A 8 4.103 -7.643 -4.496 1.00 0.55 H new ATOM 0 HB3 ASN A 8 4.679 -6.120 -5.144 1.00 0.55 H new ATOM 0 HD21 ASN A 8 7.470 -5.829 -2.953 1.00 2.19 H new ATOM 0 HD22 ASN A 8 6.406 -4.990 -4.087 1.00 2.19 H new ATOM 112 N CYS A 9 4.086 -4.347 -1.835 1.00 0.34 N ATOM 113 CA CYS A 9 4.476 -3.039 -1.338 1.00 0.41 C ATOM 114 C CYS A 9 5.272 -3.168 -0.066 1.00 0.44 C ATOM 115 O CYS A 9 5.098 -4.006 0.822 1.00 0.62 O ATOM 116 CB CYS A 9 3.232 -2.179 -1.109 1.00 0.59 C ATOM 117 SG CYS A 9 3.592 -0.450 -0.686 1.00 1.11 S ATOM 0 H CYS A 9 4.050 -5.082 -1.129 1.00 0.34 H new ATOM 0 HA CYS A 9 5.108 -2.555 -2.083 1.00 0.41 H new ATOM 0 HB2 CYS A 9 2.618 -2.201 -2.009 1.00 0.59 H new ATOM 0 HB3 CYS A 9 2.640 -2.622 -0.308 1.00 0.59 H new ATOM 122 N VAL A 10 6.247 -2.270 0.024 1.00 0.51 N ATOM 123 CA VAL A 10 7.080 -2.137 1.211 1.00 0.66 C ATOM 124 C VAL A 10 6.630 -0.921 1.975 1.00 0.62 C ATOM 125 O VAL A 10 6.194 0.117 1.475 1.00 0.93 O ATOM 126 CB VAL A 10 8.580 -2.012 0.853 1.00 0.93 C ATOM 127 CG1 VAL A 10 9.091 -3.309 0.241 1.00 1.70 C ATOM 128 CG2 VAL A 10 8.819 -0.843 -0.096 1.00 1.52 C ATOM 0 H VAL A 10 6.481 -1.616 -0.723 1.00 0.51 H new ATOM 0 HA VAL A 10 6.969 -3.035 1.818 1.00 0.66 H new ATOM 0 HB VAL A 10 9.133 -1.820 1.772 1.00 0.93 H new ATOM 0 HG11 VAL A 10 10.148 -3.204 -0.005 1.00 1.70 H new ATOM 0 HG12 VAL A 10 8.964 -4.123 0.955 1.00 1.70 H new ATOM 0 HG13 VAL A 10 8.528 -3.530 -0.666 1.00 1.70 H new ATOM 0 HG21 VAL A 10 9.881 -0.777 -0.332 1.00 1.52 H new ATOM 0 HG22 VAL A 10 8.252 -0.998 -1.014 1.00 1.52 H new ATOM 0 HG23 VAL A 10 8.495 0.083 0.379 1.00 1.52 H new ATOM 138 N TYR A 11 6.738 -1.040 3.293 1.00 0.92 N ATOM 139 CA TYR A 11 6.186 -0.039 4.202 1.00 1.15 C ATOM 140 C TYR A 11 6.985 1.238 4.117 1.00 1.00 C ATOM 141 O TYR A 11 7.949 1.545 4.829 1.00 1.61 O ATOM 142 CB TYR A 11 6.168 -0.567 5.641 1.00 1.97 C ATOM 143 CG TYR A 11 5.025 -0.020 6.473 1.00 2.55 C ATOM 144 CD1 TYR A 11 5.137 1.216 7.095 1.00 2.90 C ATOM 145 CD2 TYR A 11 3.846 -0.735 6.647 1.00 3.30 C ATOM 146 CE1 TYR A 11 4.112 1.727 7.864 1.00 3.82 C ATOM 147 CE2 TYR A 11 2.812 -0.229 7.418 1.00 4.26 C ATOM 148 CZ TYR A 11 2.901 0.962 7.980 1.00 4.46 C ATOM 149 OH TYR A 11 1.933 1.516 8.796 1.00 5.54 O ATOM 0 H TYR A 11 7.203 -1.820 3.758 1.00 0.92 H new ATOM 0 HA TYR A 11 5.159 0.171 3.904 1.00 1.15 H new ATOM 0 HB2 TYR A 11 6.103 -1.655 5.619 1.00 1.97 H new ATOM 0 HB3 TYR A 11 7.112 -0.314 6.124 1.00 1.97 H new ATOM 0 HD1 TYR A 11 6.045 1.789 6.974 1.00 2.90 H new ATOM 0 HD2 TYR A 11 3.734 -1.700 6.174 1.00 3.30 H new ATOM 0 HE1 TYR A 11 4.217 2.677 8.366 1.00 3.82 H new ATOM 0 HE2 TYR A 11 1.919 -0.819 7.561 1.00 4.26 H new ATOM 0 HH TYR A 11 1.147 0.931 8.815 1.00 5.54 H new ATOM 159 N VAL A 12 6.572 2.046 3.146 1.00 0.59 N ATOM 160 CA VAL A 12 7.151 3.365 2.926 1.00 0.92 C ATOM 161 C VAL A 12 6.038 4.376 2.749 1.00 0.73 C ATOM 162 O VAL A 12 5.567 4.761 1.679 1.00 1.16 O ATOM 163 CB VAL A 12 8.110 3.376 1.701 1.00 1.65 C ATOM 164 CG1 VAL A 12 7.426 2.855 0.442 1.00 2.26 C ATOM 165 CG2 VAL A 12 8.678 4.766 1.468 1.00 2.45 C ATOM 0 H VAL A 12 5.828 1.805 2.491 1.00 0.59 H new ATOM 0 HA VAL A 12 7.748 3.632 3.798 1.00 0.92 H new ATOM 0 HB VAL A 12 8.935 2.701 1.930 1.00 1.65 H new ATOM 0 HG11 VAL A 12 8.129 2.879 -0.391 1.00 2.26 H new ATOM 0 HG12 VAL A 12 7.093 1.830 0.606 1.00 2.26 H new ATOM 0 HG13 VAL A 12 6.566 3.483 0.209 1.00 2.26 H new ATOM 0 HG21 VAL A 12 9.345 4.747 0.606 1.00 2.45 H new ATOM 0 HG22 VAL A 12 7.863 5.465 1.280 1.00 2.45 H new ATOM 0 HG23 VAL A 12 9.234 5.085 2.350 1.00 2.45 H new ATOM 175 N PRO A 13 5.539 4.866 3.900 1.00 1.01 N ATOM 176 CA PRO A 13 4.410 5.807 3.941 1.00 1.29 C ATOM 177 C PRO A 13 4.720 7.123 3.271 1.00 1.09 C ATOM 178 O PRO A 13 3.978 7.729 2.486 1.00 1.07 O ATOM 179 CB PRO A 13 4.165 6.024 5.439 1.00 2.06 C ATOM 180 CG PRO A 13 4.860 4.899 6.121 1.00 2.35 C ATOM 181 CD PRO A 13 6.028 4.548 5.251 1.00 1.71 C ATOM 0 HA PRO A 13 3.547 5.411 3.405 1.00 1.29 H new ATOM 0 HB2 PRO A 13 4.560 6.986 5.766 1.00 2.06 H new ATOM 0 HB3 PRO A 13 3.099 6.023 5.667 1.00 2.06 H new ATOM 0 HG2 PRO A 13 5.190 5.191 7.118 1.00 2.35 H new ATOM 0 HG3 PRO A 13 4.194 4.045 6.243 1.00 2.35 H new ATOM 0 HD2 PRO A 13 6.913 5.131 5.508 1.00 1.71 H new ATOM 0 HD3 PRO A 13 6.300 3.497 5.345 1.00 1.71 H new ATOM 189 N ALA A 14 5.931 7.602 3.581 1.00 1.33 N ATOM 190 CA ALA A 14 6.402 8.916 3.134 1.00 1.64 C ATOM 191 C ALA A 14 6.270 9.054 1.644 1.00 1.58 C ATOM 192 O ALA A 14 5.902 10.062 1.036 1.00 1.81 O ATOM 193 CB ALA A 14 7.846 9.128 3.556 1.00 2.17 C ATOM 0 H ALA A 14 6.609 7.091 4.147 1.00 1.33 H new ATOM 0 HA ALA A 14 5.781 9.679 3.603 1.00 1.64 H new ATOM 0 HB1 ALA A 14 8.184 10.108 3.218 1.00 2.17 H new ATOM 0 HB2 ALA A 14 7.919 9.074 4.642 1.00 2.17 H new ATOM 0 HB3 ALA A 14 8.472 8.355 3.111 1.00 2.17 H new ATOM 199 N GLN A 15 6.576 7.946 0.990 1.00 1.44 N ATOM 200 CA GLN A 15 6.526 7.874 -0.458 1.00 1.44 C ATOM 201 C GLN A 15 5.690 6.694 -0.864 1.00 1.09 C ATOM 202 O GLN A 15 6.008 5.828 -1.680 1.00 1.16 O ATOM 203 CB GLN A 15 7.942 7.776 -1.029 1.00 1.84 C ATOM 204 CG GLN A 15 8.762 9.038 -0.808 1.00 2.46 C ATOM 205 CD GLN A 15 10.229 8.861 -1.147 1.00 2.98 C ATOM 206 OE1 GLN A 15 10.791 7.775 -1.000 1.00 3.41 O ATOM 207 NE2 GLN A 15 10.864 9.932 -1.595 1.00 3.57 N ATOM 0 H GLN A 15 6.863 7.079 1.444 1.00 1.44 H new ATOM 0 HA GLN A 15 6.070 8.779 -0.859 1.00 1.44 H new ATOM 0 HB2 GLN A 15 8.455 6.931 -0.570 1.00 1.84 H new ATOM 0 HB3 GLN A 15 7.883 7.570 -2.098 1.00 1.84 H new ATOM 0 HG2 GLN A 15 8.349 9.843 -1.416 1.00 2.46 H new ATOM 0 HG3 GLN A 15 8.671 9.346 0.234 1.00 2.46 H new ATOM 0 HE21 GLN A 15 10.363 10.814 -1.703 1.00 3.57 H new ATOM 0 HE22 GLN A 15 11.854 9.876 -1.832 1.00 3.57 H new ATOM 216 N ASN A 16 4.520 6.644 -0.217 1.00 0.85 N ATOM 217 CA ASN A 16 3.516 5.600 -0.455 1.00 0.74 C ATOM 218 C ASN A 16 3.236 5.469 -1.933 1.00 0.63 C ATOM 219 O ASN A 16 2.686 6.313 -2.643 1.00 0.65 O ATOM 220 CB ASN A 16 2.224 5.926 0.312 1.00 0.93 C ATOM 221 CG ASN A 16 1.160 4.848 0.187 1.00 0.87 C ATOM 222 OD1 ASN A 16 1.464 3.668 0.013 1.00 1.63 O ATOM 223 ND2 ASN A 16 -0.100 5.249 0.289 1.00 1.28 N ATOM 0 H ASN A 16 4.242 7.327 0.487 1.00 0.85 H new ATOM 0 HA ASN A 16 3.905 4.648 -0.093 1.00 0.74 H new ATOM 0 HB2 ASN A 16 2.462 6.070 1.366 1.00 0.93 H new ATOM 0 HB3 ASN A 16 1.820 6.869 -0.056 1.00 0.93 H new ATOM 0 HD21 ASN A 16 -0.858 4.570 0.223 1.00 1.28 H new ATOM 0 HD22 ASN A 16 -0.311 6.237 0.433 1.00 1.28 H new ATOM 230 N PRO A 17 3.647 4.308 -2.481 1.00 0.65 N ATOM 231 CA PRO A 17 3.528 4.007 -3.916 1.00 0.61 C ATOM 232 C PRO A 17 2.123 3.638 -4.310 1.00 0.60 C ATOM 233 O PRO A 17 1.711 3.452 -5.456 1.00 0.86 O ATOM 234 CB PRO A 17 4.449 2.800 -4.079 1.00 0.79 C ATOM 235 CG PRO A 17 4.338 2.095 -2.774 1.00 0.94 C ATOM 236 CD PRO A 17 4.264 3.184 -1.740 1.00 0.84 C ATOM 0 HA PRO A 17 3.785 4.862 -4.541 1.00 0.61 H new ATOM 0 HB2 PRO A 17 4.133 2.164 -4.906 1.00 0.79 H new ATOM 0 HB3 PRO A 17 5.475 3.104 -4.284 1.00 0.79 H new ATOM 0 HG2 PRO A 17 3.451 1.462 -2.743 1.00 0.94 H new ATOM 0 HG3 PRO A 17 5.198 1.447 -2.602 1.00 0.94 H new ATOM 0 HD2 PRO A 17 3.660 2.886 -0.883 1.00 0.84 H new ATOM 0 HD3 PRO A 17 5.251 3.446 -1.359 1.00 0.84 H new ATOM 244 N CYS A 18 1.311 3.519 -3.271 1.00 0.52 N ATOM 245 CA CYS A 18 -0.064 3.067 -3.407 1.00 0.52 C ATOM 246 C CYS A 18 -0.941 4.183 -3.900 1.00 0.44 C ATOM 247 O CYS A 18 -0.731 5.392 -3.764 1.00 0.49 O ATOM 248 CB CYS A 18 -0.577 2.562 -2.064 1.00 0.71 C ATOM 249 SG CYS A 18 0.167 0.996 -1.527 1.00 1.03 S ATOM 0 H CYS A 18 1.586 3.733 -2.312 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.093 2.255 -4.134 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -0.386 3.321 -1.306 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -1.658 2.436 -2.124 1.00 0.71 H new ATOM 254 N CYS A 19 -2.018 3.745 -4.545 1.00 0.43 N ATOM 255 CA CYS A 19 -3.049 4.647 -5.032 1.00 0.44 C ATOM 256 C CYS A 19 -3.663 5.334 -3.844 1.00 0.40 C ATOM 257 O CYS A 19 -3.947 4.792 -2.779 1.00 0.41 O ATOM 258 CB CYS A 19 -4.109 3.858 -5.797 1.00 0.56 C ATOM 259 SG CYS A 19 -3.436 2.705 -7.038 1.00 1.12 S ATOM 0 H CYS A 19 -2.197 2.761 -4.742 1.00 0.43 H new ATOM 0 HA CYS A 19 -2.622 5.386 -5.710 1.00 0.44 H new ATOM 0 HB2 CYS A 19 -4.711 3.295 -5.084 1.00 0.56 H new ATOM 0 HB3 CYS A 19 -4.778 4.560 -6.295 1.00 0.56 H new ATOM 264 N ARG A 20 -3.867 6.638 -4.018 1.00 0.50 N ATOM 265 CA ARG A 20 -4.355 7.504 -2.940 1.00 0.57 C ATOM 266 C ARG A 20 -5.655 6.978 -2.391 1.00 0.49 C ATOM 267 O ARG A 20 -6.752 7.009 -2.955 1.00 0.63 O ATOM 268 CB ARG A 20 -4.510 8.938 -3.444 1.00 0.81 C ATOM 269 CG ARG A 20 -3.199 9.542 -3.907 1.00 1.60 C ATOM 270 CD ARG A 20 -3.387 10.921 -4.515 1.00 2.27 C ATOM 271 NE ARG A 20 -2.136 11.442 -5.067 1.00 2.90 N ATOM 272 CZ ARG A 20 -1.984 12.677 -5.546 1.00 3.86 C ATOM 273 NH1 ARG A 20 -3.002 13.529 -5.548 1.00 4.34 N ATOM 274 NH2 ARG A 20 -0.806 13.058 -6.029 1.00 4.72 N ATOM 0 H ARG A 20 -3.702 7.123 -4.900 1.00 0.50 H new ATOM 0 HA ARG A 20 -3.625 7.505 -2.131 1.00 0.57 H new ATOM 0 HB2 ARG A 20 -5.223 8.954 -4.268 1.00 0.81 H new ATOM 0 HB3 ARG A 20 -4.928 9.555 -2.649 1.00 0.81 H new ATOM 0 HG2 ARG A 20 -2.513 9.609 -3.062 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -2.736 8.883 -4.641 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -4.140 10.873 -5.302 1.00 2.27 H new ATOM 0 HD3 ARG A 20 -3.763 11.606 -3.755 1.00 2.27 H new ATOM 0 HE ARG A 20 -1.328 10.820 -5.087 1.00 2.90 H new ATOM 0 HH11 ARG A 20 -3.909 13.241 -5.181 1.00 4.34 H new ATOM 0 HH12 ARG A 20 -2.877 14.472 -5.916 1.00 4.34 H new ATOM 0 HH21 ARG A 20 -0.021 12.406 -6.033 1.00 4.72 H new ATOM 0 HH22 ARG A 20 -0.687 14.002 -6.396 1.00 4.72 H new ATOM 288 N GLY A 21 -5.522 6.443 -1.183 1.00 0.42 N ATOM 289 CA GLY A 21 -6.623 5.772 -0.519 1.00 0.43 C ATOM 290 C GLY A 21 -6.210 4.402 -0.015 1.00 0.40 C ATOM 291 O GLY A 21 -6.804 3.862 0.925 1.00 0.55 O ATOM 0 H GLY A 21 -4.656 6.463 -0.644 1.00 0.42 H new ATOM 0 HA2 GLY A 21 -6.971 6.379 0.316 1.00 0.43 H new ATOM 0 HA3 GLY A 21 -7.460 5.671 -1.210 1.00 0.43 H new ATOM 295 N LEU A 22 -5.175 3.859 -0.638 1.00 0.31 N ATOM 296 CA LEU A 22 -4.642 2.552 -0.283 1.00 0.33 C ATOM 297 C LEU A 22 -3.501 2.727 0.685 1.00 0.39 C ATOM 298 O LEU A 22 -2.577 3.541 0.578 1.00 0.50 O ATOM 299 CB LEU A 22 -4.160 1.810 -1.538 1.00 0.38 C ATOM 300 CG LEU A 22 -5.250 1.222 -2.447 1.00 0.48 C ATOM 301 CD1 LEU A 22 -6.036 0.151 -1.712 1.00 1.25 C ATOM 302 CD2 LEU A 22 -6.186 2.306 -2.964 1.00 1.15 C ATOM 0 H LEU A 22 -4.680 4.313 -1.406 1.00 0.31 H new ATOM 0 HA LEU A 22 -5.429 1.960 0.184 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -3.556 2.498 -2.130 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -3.503 0.999 -1.224 1.00 0.38 H new ATOM 0 HG LEU A 22 -4.756 0.768 -3.306 1.00 0.48 H new ATOM 0 HD11 LEU A 22 -6.804 -0.254 -2.371 1.00 1.25 H new ATOM 0 HD12 LEU A 22 -5.362 -0.649 -1.405 1.00 1.25 H new ATOM 0 HD13 LEU A 22 -6.507 0.586 -0.831 1.00 1.25 H new ATOM 0 HD21 LEU A 22 -6.945 1.856 -3.604 1.00 1.15 H new ATOM 0 HD22 LEU A 22 -6.669 2.802 -2.122 1.00 1.15 H new ATOM 0 HD23 LEU A 22 -5.615 3.037 -3.537 1.00 1.15 H new ATOM 314 N GLN A 23 -3.557 1.901 1.718 1.00 0.43 N ATOM 315 CA GLN A 23 -2.565 1.928 2.778 1.00 0.54 C ATOM 316 C GLN A 23 -1.652 0.743 2.631 1.00 0.41 C ATOM 317 O GLN A 23 -1.983 -0.442 2.680 1.00 0.42 O ATOM 318 CB GLN A 23 -3.239 1.921 4.151 1.00 0.76 C ATOM 319 CG GLN A 23 -2.259 2.040 5.306 1.00 1.45 C ATOM 320 CD GLN A 23 -2.953 2.173 6.645 1.00 2.11 C ATOM 321 OE1 GLN A 23 -3.247 3.279 7.098 1.00 2.66 O ATOM 322 NE2 GLN A 23 -3.221 1.051 7.291 1.00 2.84 N ATOM 0 H GLN A 23 -4.286 1.199 1.844 1.00 0.43 H new ATOM 0 HA GLN A 23 -1.981 2.845 2.699 1.00 0.54 H new ATOM 0 HB2 GLN A 23 -3.951 2.745 4.202 1.00 0.76 H new ATOM 0 HB3 GLN A 23 -3.810 0.999 4.262 1.00 0.76 H new ATOM 0 HG2 GLN A 23 -1.612 1.163 5.321 1.00 1.45 H new ATOM 0 HG3 GLN A 23 -1.617 2.906 5.146 1.00 1.45 H new ATOM 0 HE21 GLN A 23 -2.962 0.153 6.883 1.00 2.84 H new ATOM 0 HE22 GLN A 23 -3.687 1.083 8.198 1.00 2.84 H new ATOM 331 N CYS A 24 -0.391 1.083 2.417 1.00 0.46 N ATOM 332 CA CYS A 24 0.653 0.092 2.207 1.00 0.44 C ATOM 333 C CYS A 24 1.101 -0.489 3.523 1.00 0.40 C ATOM 334 O CYS A 24 1.377 0.152 4.543 1.00 0.57 O ATOM 335 CB CYS A 24 1.842 0.727 1.486 1.00 0.61 C ATOM 336 SG CYS A 24 3.277 -0.375 1.312 1.00 1.14 S ATOM 0 H CYS A 24 -0.063 2.048 2.384 1.00 0.46 H new ATOM 0 HA CYS A 24 0.249 -0.711 1.590 1.00 0.44 H new ATOM 0 HB2 CYS A 24 1.523 1.050 0.495 1.00 0.61 H new ATOM 0 HB3 CYS A 24 2.148 1.621 2.029 1.00 0.61 H new ATOM 341 N ARG A 25 1.170 -1.820 3.512 1.00 0.35 N ATOM 342 CA ARG A 25 1.706 -2.580 4.631 1.00 0.45 C ATOM 343 C ARG A 25 2.842 -3.426 4.120 1.00 0.43 C ATOM 344 O ARG A 25 2.885 -3.968 3.016 1.00 0.56 O ATOM 345 CB ARG A 25 0.629 -3.466 5.265 1.00 0.57 C ATOM 346 CG ARG A 25 1.120 -4.211 6.496 1.00 1.37 C ATOM 347 CD ARG A 25 0.114 -5.245 6.981 1.00 1.70 C ATOM 348 NE ARG A 25 -1.128 -4.646 7.476 1.00 2.29 N ATOM 349 CZ ARG A 25 -1.796 -5.103 8.534 1.00 2.97 C ATOM 350 NH1 ARG A 25 -1.291 -6.092 9.264 1.00 3.32 N ATOM 351 NH2 ARG A 25 -2.964 -4.573 8.869 1.00 3.76 N ATOM 0 H ARG A 25 0.857 -2.395 2.730 1.00 0.35 H new ATOM 0 HA ARG A 25 2.058 -1.894 5.402 1.00 0.45 H new ATOM 0 HB2 ARG A 25 -0.227 -2.849 5.538 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.279 -4.187 4.527 1.00 0.57 H new ATOM 0 HG2 ARG A 25 2.064 -4.705 6.267 1.00 1.37 H new ATOM 0 HG3 ARG A 25 1.319 -3.497 7.295 1.00 1.37 H new ATOM 0 HD2 ARG A 25 -0.119 -5.928 6.164 1.00 1.70 H new ATOM 0 HD3 ARG A 25 0.566 -5.839 7.775 1.00 1.70 H new ATOM 0 HE ARG A 25 -1.502 -3.835 6.984 1.00 2.29 H new ATOM 0 HH11 ARG A 25 -0.391 -6.502 9.014 1.00 3.32 H new ATOM 0 HH12 ARG A 25 -1.803 -6.441 10.074 1.00 3.32 H new ATOM 0 HH21 ARG A 25 -3.356 -3.811 8.316 1.00 3.76 H new ATOM 0 HH22 ARG A 25 -3.471 -4.927 9.680 1.00 3.76 H new ATOM 365 N TYR A 26 3.856 -3.543 4.986 1.00 0.57 N ATOM 366 CA TYR A 26 5.079 -4.295 4.675 1.00 0.66 C ATOM 367 C TYR A 26 4.742 -5.669 4.149 1.00 0.54 C ATOM 368 O TYR A 26 4.416 -6.651 4.819 1.00 0.68 O ATOM 369 CB TYR A 26 5.992 -4.379 5.913 1.00 0.94 C ATOM 370 CG TYR A 26 5.264 -4.663 7.212 1.00 1.57 C ATOM 371 CD1 TYR A 26 4.974 -5.968 7.589 1.00 2.25 C ATOM 372 CD2 TYR A 26 4.872 -3.636 8.055 1.00 2.34 C ATOM 373 CE1 TYR A 26 4.312 -6.237 8.771 1.00 3.35 C ATOM 374 CE2 TYR A 26 4.212 -3.898 9.239 1.00 3.40 C ATOM 375 CZ TYR A 26 3.926 -5.172 9.593 1.00 3.83 C ATOM 376 OH TYR A 26 3.280 -5.456 10.774 1.00 5.02 O ATOM 0 H TYR A 26 3.853 -3.123 5.915 1.00 0.57 H new ATOM 0 HA TYR A 26 5.622 -3.764 3.893 1.00 0.66 H new ATOM 0 HB2 TYR A 26 6.735 -5.160 5.749 1.00 0.94 H new ATOM 0 HB3 TYR A 26 6.535 -3.439 6.013 1.00 0.94 H new ATOM 0 HD1 TYR A 26 5.271 -6.785 6.948 1.00 2.25 H new ATOM 0 HD2 TYR A 26 5.086 -2.613 7.781 1.00 2.34 H new ATOM 0 HE1 TYR A 26 4.095 -7.256 9.057 1.00 3.35 H new ATOM 0 HE2 TYR A 26 3.923 -3.082 9.885 1.00 3.40 H new ATOM 0 HH TYR A 26 3.073 -4.621 11.243 1.00 5.02 H new ATOM 386 N GLY A 27 4.806 -5.735 2.825 1.00 0.43 N ATOM 387 CA GLY A 27 4.457 -6.939 2.105 1.00 0.42 C ATOM 388 C GLY A 27 3.554 -6.624 0.930 1.00 0.34 C ATOM 389 O GLY A 27 3.890 -6.906 -0.224 1.00 0.39 O ATOM 0 H GLY A 27 5.099 -4.960 2.231 1.00 0.43 H new ATOM 0 HA2 GLY A 27 5.363 -7.431 1.751 1.00 0.42 H new ATOM 0 HA3 GLY A 27 3.957 -7.637 2.776 1.00 0.42 H new ATOM 393 N LYS A 28 2.426 -5.987 1.215 1.00 0.32 N ATOM 394 CA LYS A 28 1.457 -5.650 0.184 1.00 0.38 C ATOM 395 C LYS A 28 0.609 -4.495 0.642 1.00 0.29 C ATOM 396 O LYS A 28 0.473 -4.096 1.802 1.00 0.28 O ATOM 397 CB LYS A 28 0.583 -6.860 -0.181 1.00 0.60 C ATOM 398 CG LYS A 28 -0.295 -7.380 0.951 1.00 0.68 C ATOM 399 CD LYS A 28 -1.196 -8.510 0.466 1.00 1.17 C ATOM 400 CE LYS A 28 -2.125 -9.015 1.559 1.00 1.65 C ATOM 401 NZ LYS A 28 -3.089 -10.016 1.033 1.00 2.20 N ATOM 0 H LYS A 28 2.160 -5.693 2.155 1.00 0.32 H new ATOM 0 HA LYS A 28 1.998 -5.358 -0.716 1.00 0.38 H new ATOM 0 HB2 LYS A 28 -0.056 -6.589 -1.022 1.00 0.60 H new ATOM 0 HB3 LYS A 28 1.230 -7.669 -0.520 1.00 0.60 H new ATOM 0 HG2 LYS A 28 0.332 -7.735 1.769 1.00 0.68 H new ATOM 0 HG3 LYS A 28 -0.905 -6.568 1.346 1.00 0.68 H new ATOM 0 HD2 LYS A 28 -1.789 -8.162 -0.380 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -0.580 -9.334 0.106 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -1.537 -9.461 2.361 1.00 1.65 H new ATOM 0 HE3 LYS A 28 -2.670 -8.176 1.992 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -3.708 -10.340 1.803 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 -3.666 -9.582 0.285 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 -2.569 -10.827 0.642 1.00 2.20 H new ATOM 415 N CYS A 29 -0.007 -3.891 -0.356 1.00 0.32 N ATOM 416 CA CYS A 29 -0.840 -2.720 -0.157 1.00 0.33 C ATOM 417 C CYS A 29 -2.248 -3.155 0.141 1.00 0.34 C ATOM 418 O CYS A 29 -2.851 -4.067 -0.427 1.00 0.52 O ATOM 419 CB CYS A 29 -0.804 -1.849 -1.407 1.00 0.48 C ATOM 420 SG CYS A 29 -1.445 -0.172 -1.153 1.00 0.95 S ATOM 0 H CYS A 29 0.056 -4.198 -1.327 1.00 0.32 H new ATOM 0 HA CYS A 29 -0.465 -2.138 0.685 1.00 0.33 H new ATOM 0 HB2 CYS A 29 0.224 -1.784 -1.763 1.00 0.48 H new ATOM 0 HB3 CYS A 29 -1.384 -2.334 -2.193 1.00 0.48 H new ATOM 425 N LEU A 30 -2.827 -2.454 1.112 1.00 0.32 N ATOM 426 CA LEU A 30 -4.173 -2.754 1.599 1.00 0.38 C ATOM 427 C LEU A 30 -5.032 -1.523 1.501 1.00 0.33 C ATOM 428 O LEU A 30 -4.635 -0.379 1.278 1.00 0.45 O ATOM 429 CB LEU A 30 -4.113 -3.235 3.054 1.00 0.53 C ATOM 430 CG LEU A 30 -3.207 -4.441 3.312 1.00 0.82 C ATOM 431 CD1 LEU A 30 -3.206 -4.798 4.788 1.00 1.35 C ATOM 432 CD2 LEU A 30 -3.646 -5.634 2.479 1.00 1.19 C ATOM 0 H LEU A 30 -2.381 -1.666 1.582 1.00 0.32 H new ATOM 0 HA LEU A 30 -4.606 -3.545 0.986 1.00 0.38 H new ATOM 0 HB2 LEU A 30 -3.774 -2.408 3.678 1.00 0.53 H new ATOM 0 HB3 LEU A 30 -5.123 -3.486 3.378 1.00 0.53 H new ATOM 0 HG LEU A 30 -2.192 -4.174 3.018 1.00 0.82 H new ATOM 0 HD11 LEU A 30 -2.557 -5.658 4.954 1.00 1.35 H new ATOM 0 HD12 LEU A 30 -2.840 -3.950 5.367 1.00 1.35 H new ATOM 0 HD13 LEU A 30 -4.220 -5.043 5.104 1.00 1.35 H new ATOM 0 HD21 LEU A 30 -2.988 -6.479 2.679 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -4.670 -5.902 2.739 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -3.596 -5.377 1.421 1.00 1.19 H new ATOM 444 N VAL A 31 -6.325 -1.762 1.671 1.00 0.44 N ATOM 445 CA VAL A 31 -7.317 -0.694 1.655 1.00 0.51 C ATOM 446 C VAL A 31 -7.492 -0.174 3.055 1.00 0.58 C ATOM 447 O VAL A 31 -7.581 -0.871 4.071 1.00 0.86 O ATOM 448 CB VAL A 31 -8.692 -1.181 1.130 1.00 0.82 C ATOM 449 CG1 VAL A 31 -9.679 -0.025 1.045 1.00 1.54 C ATOM 450 CG2 VAL A 31 -8.554 -1.859 -0.223 1.00 1.54 C ATOM 0 H VAL A 31 -6.714 -2.693 1.823 1.00 0.44 H new ATOM 0 HA VAL A 31 -6.958 0.086 0.984 1.00 0.51 H new ATOM 0 HB VAL A 31 -9.077 -1.914 1.840 1.00 0.82 H new ATOM 0 HG11 VAL A 31 -10.637 -0.391 0.674 1.00 1.54 H new ATOM 0 HG12 VAL A 31 -9.815 0.410 2.035 1.00 1.54 H new ATOM 0 HG13 VAL A 31 -9.293 0.734 0.365 1.00 1.54 H new ATOM 0 HG21 VAL A 31 -9.534 -2.190 -0.566 1.00 1.54 H new ATOM 0 HG22 VAL A 31 -8.137 -1.154 -0.942 1.00 1.54 H new ATOM 0 HG23 VAL A 31 -7.892 -2.720 -0.133 1.00 1.54 H new ATOM 460 N GLN A 32 -7.545 1.157 3.151 1.00 0.61 N ATOM 461 CA GLN A 32 -7.793 1.808 4.433 1.00 0.89 C ATOM 462 C GLN A 32 -9.251 1.665 4.785 1.00 1.12 C ATOM 463 O GLN A 32 -10.092 2.564 4.817 1.00 1.44 O ATOM 464 CB GLN A 32 -7.376 3.283 4.402 1.00 1.14 C ATOM 465 CG GLN A 32 -7.592 4.001 5.729 1.00 1.54 C ATOM 466 CD GLN A 32 -7.061 5.423 5.735 1.00 2.11 C ATOM 467 OE1 GLN A 32 -6.074 5.735 5.066 1.00 2.63 O ATOM 468 NE2 GLN A 32 -7.718 6.294 6.482 1.00 2.71 N ATOM 0 H GLN A 32 -7.421 1.795 2.365 1.00 0.61 H new ATOM 0 HA GLN A 32 -7.188 1.323 5.199 1.00 0.89 H new ATOM 0 HB2 GLN A 32 -6.323 3.350 4.129 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -7.941 3.796 3.624 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -8.658 4.018 5.956 1.00 1.54 H new ATOM 0 HG3 GLN A 32 -7.106 3.435 6.524 1.00 1.54 H new ATOM 0 HE21 GLN A 32 -8.530 5.994 7.020 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -7.412 7.266 6.520 1.00 2.71 H new ATOM 477 N VAL A 33 -9.594 0.412 5.045 1.00 1.59 N ATOM 478 CA VAL A 33 -10.939 0.049 5.455 1.00 2.06 C ATOM 479 C VAL A 33 -10.916 -0.330 6.915 1.00 2.56 C ATOM 480 O VAL A 33 -10.291 -1.270 7.414 1.00 3.36 O ATOM 481 CB VAL A 33 -11.507 -1.106 4.590 1.00 2.90 C ATOM 482 CG1 VAL A 33 -10.607 -2.334 4.641 1.00 3.48 C ATOM 483 CG2 VAL A 33 -12.925 -1.462 5.018 1.00 3.45 C ATOM 0 H VAL A 33 -8.951 -0.377 4.978 1.00 1.59 H new ATOM 0 HA VAL A 33 -11.598 0.904 5.309 1.00 2.06 H new ATOM 0 HB VAL A 33 -11.538 -0.757 3.558 1.00 2.90 H new ATOM 0 HG11 VAL A 33 -11.035 -3.124 4.024 1.00 3.48 H new ATOM 0 HG12 VAL A 33 -9.617 -2.075 4.265 1.00 3.48 H new ATOM 0 HG13 VAL A 33 -10.524 -2.682 5.671 1.00 3.48 H new ATOM 0 HG21 VAL A 33 -13.300 -2.275 4.396 1.00 3.45 H new ATOM 0 HG22 VAL A 33 -12.922 -1.776 6.062 1.00 3.45 H new ATOM 0 HG23 VAL A 33 -13.569 -0.590 4.903 1.00 3.45 H new HETATM 493 N HSL A 34 -11.631 0.479 7.684 1.00 2.62 N HETATM 494 CA HSL A 34 -11.897 0.451 9.067 1.00 3.49 C HETATM 495 C HSL A 34 -13.132 -0.302 9.557 1.00 3.98 C HETATM 496 O HSL A 34 -13.707 -1.172 8.892 1.00 4.33 O HETATM 497 CB HSL A 34 -11.823 1.713 9.889 1.00 4.03 C HETATM 498 CG HSL A 34 -12.599 1.525 11.165 1.00 4.92 C HETATM 499 OD HSL A 34 -13.447 0.248 10.959 1.00 4.86 O HETATM 0 HG3 HSL A 34 -11.929 1.416 12.018 1.00 4.92 H new HETATM 0 HG2 HSL A 34 -13.234 2.388 11.367 1.00 4.92 H new HETATM 0 HB3 HSL A 34 -10.784 1.953 10.114 1.00 4.03 H new HETATM 0 HB2 HSL A 34 -12.229 2.552 9.324 1.00 4.03 H new HETATM 0 HA HSL A 34 -10.991 -0.126 9.251 1.00 3.49 H new TER 506 HSL A 34