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= -1.8 K(o=-1.8,f=-0.69) USER MOD Single : A 8 ASN : amide:sc=-0.00506 X(o=-0.0051,f=-0.094) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.24) USER MOD Single : A 16 ASN : amide:sc= -0.288! X(o=-0.29!,f=-0.56) 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+ -168:sc= -0.0166 (180deg=-0.181) USER MOD Single : A 32 GLN : amide:sc= 1.08 K(o=1.1,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.550 3.828 -12.735 1.00 2.15 N ATOM 2 CA ALA A 1 0.453 3.092 -12.067 1.00 1.72 C ATOM 3 C ALA A 1 0.720 2.999 -10.591 1.00 1.26 C ATOM 4 O ALA A 1 1.795 2.689 -10.070 1.00 1.25 O ATOM 5 CB ALA A 1 0.299 1.702 -12.674 1.00 2.03 C ATOM 0 H1 ALA A 1 1.357 3.888 -13.755 1.00 2.15 H new ATOM 0 H2 ALA A 1 1.616 4.787 -12.339 1.00 2.15 H new ATOM 0 H3 ALA A 1 2.448 3.327 -12.581 1.00 2.15 H new ATOM 0 HA ALA A 1 -0.480 3.635 -12.218 1.00 1.72 H new ATOM 0 HB1 ALA A 1 -0.511 1.174 -12.172 1.00 2.03 H new ATOM 0 HB2 ALA A 1 0.071 1.792 -13.736 1.00 2.03 H new ATOM 0 HB3 ALA A 1 1.228 1.145 -12.548 1.00 2.03 H new ATOM 13 N CYS A 2 -0.325 3.296 -9.833 1.00 1.05 N ATOM 14 CA CYS A 2 -0.238 3.297 -8.380 1.00 0.76 C ATOM 15 C CYS A 2 -0.589 1.934 -7.840 1.00 0.64 C ATOM 16 O CYS A 2 -1.304 1.095 -8.393 1.00 0.82 O ATOM 17 CB CYS A 2 -1.147 4.382 -7.793 1.00 0.94 C ATOM 18 SG CYS A 2 -2.849 4.381 -8.451 1.00 0.92 S ATOM 0 H CYS A 2 -1.245 3.540 -10.201 1.00 1.05 H new ATOM 0 HA CYS A 2 0.786 3.524 -8.083 1.00 0.76 H new ATOM 0 HB2 CYS A 2 -1.189 4.257 -6.711 1.00 0.94 H new ATOM 0 HB3 CYS A 2 -0.698 5.357 -7.984 1.00 0.94 H new ATOM 23 N GLY A 3 -0.009 1.673 -6.672 1.00 0.51 N ATOM 24 CA GLY A 3 -0.200 0.404 -5.990 1.00 0.60 C ATOM 25 C GLY A 3 -1.627 0.201 -5.519 1.00 0.51 C ATOM 26 O GLY A 3 -2.308 1.161 -5.144 1.00 0.55 O ATOM 0 H GLY A 3 0.598 2.328 -6.180 1.00 0.51 H new ATOM 0 HA2 GLY A 3 0.076 -0.409 -6.661 1.00 0.60 H new ATOM 0 HA3 GLY A 3 0.472 0.352 -5.133 1.00 0.60 H new ATOM 30 N ILE A 4 -2.061 -1.054 -5.527 1.00 0.46 N ATOM 31 CA ILE A 4 -3.436 -1.412 -5.204 1.00 0.44 C ATOM 32 C ILE A 4 -3.465 -2.479 -4.134 1.00 0.39 C ATOM 33 O ILE A 4 -2.491 -3.100 -3.702 1.00 0.41 O ATOM 34 CB ILE A 4 -4.183 -1.907 -6.461 1.00 0.46 C ATOM 35 CG1 ILE A 4 -3.381 -3.008 -7.165 1.00 0.45 C ATOM 36 CG2 ILE A 4 -4.449 -0.744 -7.405 1.00 0.66 C ATOM 37 CD1 ILE A 4 -3.995 -3.473 -8.469 1.00 0.75 C ATOM 0 H ILE A 4 -1.469 -1.852 -5.758 1.00 0.46 H new ATOM 0 HA ILE A 4 -3.939 -0.520 -4.830 1.00 0.44 H new ATOM 0 HB ILE A 4 -5.140 -2.329 -6.156 1.00 0.46 H new ATOM 0 HG12 ILE A 4 -2.373 -2.642 -7.359 1.00 0.45 H new ATOM 0 HG13 ILE A 4 -3.287 -3.862 -6.494 1.00 0.45 H new ATOM 0 HG21 ILE A 4 -4.976 -1.105 -8.288 1.00 0.66 H new ATOM 0 HG22 ILE A 4 -5.059 0.004 -6.898 1.00 0.66 H new ATOM 0 HG23 ILE A 4 -3.502 -0.296 -7.706 1.00 0.66 H new ATOM 0 HD11 ILE A 4 -3.371 -4.252 -8.908 1.00 0.75 H new ATOM 0 HD12 ILE A 4 -4.992 -3.870 -8.280 1.00 0.75 H new ATOM 0 HD13 ILE A 4 -4.064 -2.632 -9.159 1.00 0.75 H new ATOM 49 N LEU A 5 -4.703 -2.734 -3.688 1.00 0.45 N ATOM 50 CA LEU A 5 -4.985 -3.585 -2.520 1.00 0.57 C ATOM 51 C LEU A 5 -4.547 -5.023 -2.726 1.00 0.54 C ATOM 52 O LEU A 5 -4.680 -5.934 -1.907 1.00 0.78 O ATOM 53 CB LEU A 5 -6.486 -3.534 -2.188 1.00 0.72 C ATOM 54 CG LEU A 5 -7.421 -4.150 -3.238 1.00 0.75 C ATOM 55 CD1 LEU A 5 -7.735 -5.606 -2.912 1.00 1.02 C ATOM 56 CD2 LEU A 5 -8.704 -3.348 -3.356 1.00 1.25 C ATOM 0 H LEU A 5 -5.541 -2.355 -4.128 1.00 0.45 H new ATOM 0 HA LEU A 5 -4.405 -3.191 -1.685 1.00 0.57 H new ATOM 0 HB2 LEU A 5 -6.647 -4.046 -1.239 1.00 0.72 H new ATOM 0 HB3 LEU A 5 -6.772 -2.492 -2.040 1.00 0.72 H new ATOM 0 HG LEU A 5 -6.904 -4.121 -4.197 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -8.399 -6.014 -3.674 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -6.810 -6.182 -2.891 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -8.221 -5.664 -1.938 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -9.350 -3.804 -4.106 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -9.216 -3.337 -2.394 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -8.468 -2.326 -3.653 1.00 1.25 H new ATOM 68 N HIS A 6 -3.998 -5.273 -3.911 1.00 0.45 N ATOM 69 CA HIS A 6 -3.444 -6.585 -4.240 1.00 0.63 C ATOM 70 C HIS A 6 -2.180 -6.416 -5.037 1.00 0.57 C ATOM 71 O HIS A 6 -1.883 -7.006 -6.077 1.00 0.79 O ATOM 72 CB HIS A 6 -4.456 -7.489 -4.974 1.00 0.86 C ATOM 73 CG HIS A 6 -5.195 -6.845 -6.108 1.00 0.90 C ATOM 74 ND1 HIS A 6 -4.891 -7.054 -7.435 1.00 1.09 N ATOM 75 CD2 HIS A 6 -6.262 -6.017 -6.100 1.00 0.95 C ATOM 76 CE1 HIS A 6 -5.742 -6.384 -8.188 1.00 1.23 C ATOM 77 NE2 HIS A 6 -6.584 -5.747 -7.401 1.00 1.17 N ATOM 0 H HIS A 6 -3.924 -4.585 -4.660 1.00 0.45 H new ATOM 0 HA HIS A 6 -3.211 -7.093 -3.304 1.00 0.63 H new ATOM 0 HB2 HIS A 6 -3.926 -8.361 -5.358 1.00 0.86 H new ATOM 0 HB3 HIS A 6 -5.184 -7.852 -4.249 1.00 0.86 H new ATOM 0 HD2 HIS A 6 -6.769 -5.637 -5.225 1.00 0.95 H new ATOM 0 HE1 HIS A 6 -5.747 -6.362 -9.268 1.00 1.23 H new ATOM 0 HE2 HIS A 6 -7.351 -5.150 -7.711 1.00 1.17 H new ATOM 86 N ASP A 7 -1.366 -5.509 -4.514 1.00 0.37 N ATOM 87 CA ASP A 7 -0.029 -5.260 -5.038 1.00 0.33 C ATOM 88 C ASP A 7 0.919 -5.160 -3.873 1.00 0.31 C ATOM 89 O ASP A 7 0.745 -4.471 -2.867 1.00 0.44 O ATOM 90 CB ASP A 7 -0.012 -3.972 -5.874 1.00 0.39 C ATOM 91 CG ASP A 7 1.346 -3.683 -6.482 1.00 0.58 C ATOM 92 OD1 ASP A 7 1.838 -4.518 -7.266 1.00 0.96 O ATOM 93 OD2 ASP A 7 1.932 -2.624 -6.168 1.00 0.97 O ATOM 0 H ASP A 7 -1.613 -4.925 -3.715 1.00 0.37 H new ATOM 0 HA ASP A 7 0.278 -6.076 -5.692 1.00 0.33 H new ATOM 0 HB2 ASP A 7 -0.752 -4.052 -6.670 1.00 0.39 H new ATOM 0 HB3 ASP A 7 -0.309 -3.133 -5.245 1.00 0.39 H new ATOM 98 N ASN A 8 2.002 -5.930 -3.981 1.00 0.37 N ATOM 99 CA ASN A 8 3.004 -6.004 -2.912 1.00 0.39 C ATOM 100 C ASN A 8 3.761 -4.705 -2.836 1.00 0.41 C ATOM 101 O ASN A 8 4.013 -3.970 -3.792 1.00 0.57 O ATOM 102 CB ASN A 8 3.962 -7.179 -3.127 1.00 0.55 C ATOM 103 CG ASN A 8 3.297 -8.519 -2.847 1.00 1.40 C ATOM 104 OD1 ASN A 8 3.317 -9.016 -1.720 1.00 2.09 O ATOM 105 ND2 ASN A 8 2.714 -9.121 -3.872 1.00 2.19 N ATOM 0 H ASN A 8 2.209 -6.510 -4.794 1.00 0.37 H new ATOM 0 HA ASN A 8 2.489 -6.173 -1.966 1.00 0.39 H new ATOM 0 HB2 ASN A 8 4.328 -7.164 -4.153 1.00 0.55 H new ATOM 0 HB3 ASN A 8 4.829 -7.062 -2.477 1.00 0.55 H new ATOM 0 HD21 ASN A 8 2.262 -10.026 -3.742 1.00 2.19 H new ATOM 0 HD22 ASN A 8 2.717 -8.680 -4.792 1.00 2.19 H new ATOM 112 N CYS A 9 4.174 -4.376 -1.610 1.00 0.34 N ATOM 113 CA CYS A 9 4.746 -3.059 -1.329 1.00 0.41 C ATOM 114 C CYS A 9 5.564 -3.096 -0.065 1.00 0.44 C ATOM 115 O CYS A 9 5.487 -3.942 0.830 1.00 0.62 O ATOM 116 CB CYS A 9 3.628 -2.014 -1.195 1.00 0.59 C ATOM 117 SG CYS A 9 4.226 -0.305 -0.937 1.00 1.11 S ATOM 0 H CYS A 9 4.124 -4.998 -0.803 1.00 0.34 H new ATOM 0 HA CYS A 9 5.396 -2.783 -2.159 1.00 0.41 H new ATOM 0 HB2 CYS A 9 3.012 -2.040 -2.094 1.00 0.59 H new ATOM 0 HB3 CYS A 9 2.985 -2.292 -0.360 1.00 0.59 H new ATOM 122 N VAL A 10 6.422 -2.084 0.028 1.00 0.51 N ATOM 123 CA VAL A 10 7.309 -1.903 1.171 1.00 0.66 C ATOM 124 C VAL A 10 6.686 -0.921 2.135 1.00 0.62 C ATOM 125 O VAL A 10 5.901 -0.013 1.846 1.00 0.93 O ATOM 126 CB VAL A 10 8.701 -1.385 0.730 1.00 0.93 C ATOM 127 CG1 VAL A 10 9.638 -1.216 1.920 1.00 1.70 C ATOM 128 CG2 VAL A 10 9.321 -2.321 -0.292 1.00 1.52 C ATOM 0 H VAL A 10 6.521 -1.365 -0.689 1.00 0.51 H new ATOM 0 HA VAL A 10 7.447 -2.870 1.655 1.00 0.66 H new ATOM 0 HB VAL A 10 8.556 -0.406 0.273 1.00 0.93 H new ATOM 0 HG11 VAL A 10 10.605 -0.851 1.573 1.00 1.70 H new ATOM 0 HG12 VAL A 10 9.210 -0.499 2.621 1.00 1.70 H new ATOM 0 HG13 VAL A 10 9.770 -2.176 2.418 1.00 1.70 H new ATOM 0 HG21 VAL A 10 10.298 -1.940 -0.589 1.00 1.52 H new ATOM 0 HG22 VAL A 10 9.436 -3.313 0.146 1.00 1.52 H new ATOM 0 HG23 VAL A 10 8.675 -2.384 -1.167 1.00 1.52 H new ATOM 138 N TYR A 11 7.067 -1.111 3.391 1.00 0.92 N ATOM 139 CA TYR A 11 6.593 -0.285 4.497 1.00 1.15 C ATOM 140 C TYR A 11 7.204 1.099 4.439 1.00 1.00 C ATOM 141 O TYR A 11 8.037 1.563 5.223 1.00 1.61 O ATOM 142 CB TYR A 11 6.920 -0.971 5.830 1.00 1.97 C ATOM 143 CG TYR A 11 8.329 -1.536 5.899 1.00 2.55 C ATOM 144 CD1 TYR A 11 8.620 -2.786 5.366 1.00 3.30 C ATOM 145 CD2 TYR A 11 9.362 -0.820 6.489 1.00 2.90 C ATOM 146 CE1 TYR A 11 9.898 -3.304 5.417 1.00 4.26 C ATOM 147 CE2 TYR A 11 10.647 -1.332 6.541 1.00 3.82 C ATOM 148 CZ TYR A 11 10.908 -2.575 6.004 1.00 4.46 C ATOM 149 OH TYR A 11 12.186 -3.089 6.042 1.00 5.54 O ATOM 0 H TYR A 11 7.716 -1.845 3.674 1.00 0.92 H new ATOM 0 HA TYR A 11 5.512 -0.171 4.414 1.00 1.15 H new ATOM 0 HB2 TYR A 11 6.786 -0.254 6.640 1.00 1.97 H new ATOM 0 HB3 TYR A 11 6.206 -1.778 5.998 1.00 1.97 H new ATOM 0 HD1 TYR A 11 7.832 -3.362 4.904 1.00 3.30 H new ATOM 0 HD2 TYR A 11 9.160 0.152 6.914 1.00 2.90 H new ATOM 0 HE1 TYR A 11 10.105 -4.278 4.998 1.00 4.26 H new ATOM 0 HE2 TYR A 11 11.441 -0.761 7.000 1.00 3.82 H new ATOM 0 HH TYR A 11 12.782 -2.452 6.489 1.00 5.54 H new ATOM 159 N VAL A 12 6.767 1.829 3.419 1.00 0.59 N ATOM 160 CA VAL A 12 7.188 3.209 3.222 1.00 0.92 C ATOM 161 C VAL A 12 5.999 4.059 2.809 1.00 0.73 C ATOM 162 O VAL A 12 5.685 4.367 1.658 1.00 1.16 O ATOM 163 CB VAL A 12 8.338 3.316 2.185 1.00 1.65 C ATOM 164 CG1 VAL A 12 7.948 2.704 0.847 1.00 2.26 C ATOM 165 CG2 VAL A 12 8.775 4.764 2.012 1.00 2.45 C ATOM 0 H VAL A 12 6.117 1.484 2.712 1.00 0.59 H new ATOM 0 HA VAL A 12 7.577 3.584 4.168 1.00 0.92 H new ATOM 0 HB VAL A 12 9.182 2.745 2.571 1.00 1.65 H new ATOM 0 HG11 VAL A 12 8.779 2.798 0.148 1.00 2.26 H new ATOM 0 HG12 VAL A 12 7.708 1.650 0.985 1.00 2.26 H new ATOM 0 HG13 VAL A 12 7.077 3.225 0.449 1.00 2.26 H new ATOM 0 HG21 VAL A 12 9.582 4.816 1.281 1.00 2.45 H new ATOM 0 HG22 VAL A 12 7.931 5.360 1.664 1.00 2.45 H new ATOM 0 HG23 VAL A 12 9.125 5.155 2.967 1.00 2.45 H new ATOM 175 N PRO A 13 5.229 4.485 3.830 1.00 1.01 N ATOM 176 CA PRO A 13 4.030 5.316 3.634 1.00 1.29 C ATOM 177 C PRO A 13 4.366 6.695 3.131 1.00 1.09 C ATOM 178 O PRO A 13 3.675 7.370 2.365 1.00 1.07 O ATOM 179 CB PRO A 13 3.404 5.399 5.034 1.00 2.06 C ATOM 180 CG PRO A 13 4.065 4.322 5.827 1.00 2.35 C ATOM 181 CD PRO A 13 5.442 4.175 5.252 1.00 1.71 C ATOM 0 HA PRO A 13 3.365 4.888 2.884 1.00 1.29 H new ATOM 0 HB2 PRO A 13 3.573 6.378 5.483 1.00 2.06 H new ATOM 0 HB3 PRO A 13 2.325 5.250 4.992 1.00 2.06 H new ATOM 0 HG2 PRO A 13 4.109 4.586 6.884 1.00 2.35 H new ATOM 0 HG3 PRO A 13 3.510 3.387 5.755 1.00 2.35 H new ATOM 0 HD2 PRO A 13 6.150 4.862 5.715 1.00 1.71 H new ATOM 0 HD3 PRO A 13 5.835 3.168 5.393 1.00 1.71 H new ATOM 189 N ALA A 14 5.547 7.141 3.576 1.00 1.33 N ATOM 190 CA ALA A 14 6.063 8.482 3.283 1.00 1.64 C ATOM 191 C ALA A 14 5.944 8.802 1.816 1.00 1.58 C ATOM 192 O ALA A 14 5.669 9.903 1.334 1.00 1.81 O ATOM 193 CB ALA A 14 7.510 8.600 3.729 1.00 2.17 C ATOM 0 H ALA A 14 6.174 6.579 4.152 1.00 1.33 H new ATOM 0 HA ALA A 14 5.461 9.202 3.837 1.00 1.64 H new ATOM 0 HB1 ALA A 14 7.879 9.601 3.505 1.00 2.17 H new ATOM 0 HB2 ALA A 14 7.576 8.421 4.802 1.00 2.17 H new ATOM 0 HB3 ALA A 14 8.115 7.863 3.200 1.00 2.17 H new ATOM 199 N GLN A 15 6.174 7.760 1.029 1.00 1.44 N ATOM 200 CA GLN A 15 5.998 7.833 -0.410 1.00 1.44 C ATOM 201 C GLN A 15 5.407 6.539 -0.885 1.00 1.09 C ATOM 202 O GLN A 15 5.918 5.754 -1.690 1.00 1.16 O ATOM 203 CB GLN A 15 7.324 8.138 -1.125 1.00 1.84 C ATOM 204 CG GLN A 15 7.200 8.233 -2.644 1.00 2.46 C ATOM 205 CD GLN A 15 6.111 9.195 -3.088 1.00 2.98 C ATOM 206 OE1 GLN A 15 4.956 8.805 -3.260 1.00 3.41 O ATOM 207 NE2 GLN A 15 6.470 10.452 -3.281 1.00 3.57 N ATOM 0 H GLN A 15 6.485 6.850 1.368 1.00 1.44 H new ATOM 0 HA GLN A 15 5.321 8.653 -0.650 1.00 1.44 H new ATOM 0 HB2 GLN A 15 7.724 9.078 -0.743 1.00 1.84 H new ATOM 0 HB3 GLN A 15 8.046 7.360 -0.877 1.00 1.84 H new ATOM 0 HG2 GLN A 15 8.154 8.554 -3.062 1.00 2.46 H new ATOM 0 HG3 GLN A 15 6.991 7.243 -3.049 1.00 2.46 H new ATOM 0 HE21 GLN A 15 7.438 10.735 -3.127 1.00 3.57 H new ATOM 0 HE22 GLN A 15 5.779 11.139 -3.583 1.00 3.57 H new ATOM 216 N ASN A 16 4.231 6.268 -0.324 1.00 0.85 N ATOM 217 CA ASN A 16 3.449 5.105 -0.711 1.00 0.74 C ATOM 218 C ASN A 16 3.048 5.221 -2.160 1.00 0.63 C ATOM 219 O ASN A 16 2.426 6.154 -2.668 1.00 0.65 O ATOM 220 CB ASN A 16 2.224 4.919 0.205 1.00 0.93 C ATOM 221 CG ASN A 16 1.421 6.188 0.479 1.00 0.87 C ATOM 222 OD1 ASN A 16 0.834 6.335 1.551 1.00 1.63 O ATOM 223 ND2 ASN A 16 1.375 7.098 -0.474 1.00 1.28 N ATOM 0 H ASN A 16 3.801 6.842 0.401 1.00 0.85 H new ATOM 0 HA ASN A 16 4.065 4.214 -0.593 1.00 0.74 H new ATOM 0 HB2 ASN A 16 1.562 4.179 -0.245 1.00 0.93 H new ATOM 0 HB3 ASN A 16 2.561 4.508 1.157 1.00 0.93 H new ATOM 0 HD21 ASN A 16 0.841 7.956 -0.335 1.00 1.28 H new ATOM 0 HD22 ASN A 16 1.873 6.944 -1.351 1.00 1.28 H new ATOM 230 N PRO A 17 3.443 4.191 -2.929 1.00 0.65 N ATOM 231 CA PRO A 17 3.216 4.134 -4.383 1.00 0.61 C ATOM 232 C PRO A 17 1.779 3.862 -4.732 1.00 0.60 C ATOM 233 O PRO A 17 1.293 3.851 -5.863 1.00 0.86 O ATOM 234 CB PRO A 17 4.078 2.948 -4.808 1.00 0.79 C ATOM 235 CG PRO A 17 4.059 2.060 -3.619 1.00 0.94 C ATOM 236 CD PRO A 17 4.148 2.987 -2.445 1.00 0.84 C ATOM 0 HA PRO A 17 3.459 5.077 -4.872 1.00 0.61 H new ATOM 0 HB2 PRO A 17 3.669 2.450 -5.687 1.00 0.79 H new ATOM 0 HB3 PRO A 17 5.092 3.259 -5.060 1.00 0.79 H new ATOM 0 HG2 PRO A 17 3.146 1.465 -3.585 1.00 0.94 H new ATOM 0 HG3 PRO A 17 4.895 1.361 -3.635 1.00 0.94 H new ATOM 0 HD2 PRO A 17 3.671 2.567 -1.560 1.00 0.84 H new ATOM 0 HD3 PRO A 17 5.182 3.203 -2.177 1.00 0.84 H new ATOM 244 N CYS A 18 1.030 3.617 -3.670 1.00 0.52 N ATOM 245 CA CYS A 18 -0.355 3.196 -3.774 1.00 0.52 C ATOM 246 C CYS A 18 -1.246 4.366 -4.056 1.00 0.44 C ATOM 247 O CYS A 18 -1.034 5.538 -3.741 1.00 0.49 O ATOM 248 CB CYS A 18 -0.776 2.518 -2.478 1.00 0.71 C ATOM 249 SG CYS A 18 0.122 0.979 -2.135 1.00 1.03 S ATOM 0 H CYS A 18 1.366 3.705 -2.711 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.448 2.492 -4.601 1.00 0.52 H new ATOM 0 HB2 CYS A 18 -0.623 3.210 -1.650 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -1.844 2.303 -2.521 1.00 0.71 H new ATOM 254 N CYS A 19 -2.341 4.023 -4.729 1.00 0.43 N ATOM 255 CA CYS A 19 -3.376 4.987 -5.079 1.00 0.44 C ATOM 256 C CYS A 19 -3.945 5.571 -3.814 1.00 0.40 C ATOM 257 O CYS A 19 -4.097 4.963 -2.752 1.00 0.41 O ATOM 258 CB CYS A 19 -4.480 4.299 -5.886 1.00 0.56 C ATOM 259 SG CYS A 19 -3.866 3.171 -7.182 1.00 1.12 S ATOM 0 H CYS A 19 -2.534 3.073 -5.045 1.00 0.43 H new ATOM 0 HA CYS A 19 -2.948 5.783 -5.688 1.00 0.44 H new ATOM 0 HB2 CYS A 19 -5.117 3.737 -5.203 1.00 0.56 H new ATOM 0 HB3 CYS A 19 -5.105 5.062 -6.350 1.00 0.56 H new ATOM 264 N ARG A 20 -4.275 6.860 -3.916 1.00 0.50 N ATOM 265 CA ARG A 20 -4.830 7.611 -2.788 1.00 0.57 C ATOM 266 C ARG A 20 -6.057 6.908 -2.271 1.00 0.49 C ATOM 267 O ARG A 20 -7.136 6.797 -2.860 1.00 0.63 O ATOM 268 CB ARG A 20 -5.173 9.046 -3.200 1.00 0.81 C ATOM 269 CG ARG A 20 -3.982 9.831 -3.721 1.00 1.60 C ATOM 270 CD ARG A 20 -4.394 11.212 -4.208 1.00 2.27 C ATOM 271 NE ARG A 20 -5.488 11.138 -5.173 1.00 2.90 N ATOM 272 CZ ARG A 20 -6.354 12.125 -5.395 1.00 3.86 C ATOM 273 NH1 ARG A 20 -6.192 13.303 -4.805 1.00 4.34 N ATOM 274 NH2 ARG A 20 -7.374 11.932 -6.219 1.00 4.72 N ATOM 0 H ARG A 20 -4.167 7.407 -4.770 1.00 0.50 H new ATOM 0 HA ARG A 20 -4.081 7.660 -1.998 1.00 0.57 H new ATOM 0 HB2 ARG A 20 -5.945 9.019 -3.970 1.00 0.81 H new ATOM 0 HB3 ARG A 20 -5.596 9.570 -2.343 1.00 0.81 H new ATOM 0 HG2 ARG A 20 -3.237 9.930 -2.932 1.00 1.60 H new ATOM 0 HG3 ARG A 20 -3.512 9.282 -4.537 1.00 1.60 H new ATOM 0 HD2 ARG A 20 -4.699 11.822 -3.358 1.00 2.27 H new ATOM 0 HD3 ARG A 20 -3.538 11.708 -4.665 1.00 2.27 H new ATOM 0 HE ARG A 20 -5.595 10.277 -5.710 1.00 2.90 H new ATOM 0 HH11 ARG A 20 -5.402 13.455 -4.179 1.00 4.34 H new ATOM 0 HH12 ARG A 20 -6.858 14.056 -4.978 1.00 4.34 H new ATOM 0 HH21 ARG A 20 -7.493 11.030 -6.680 1.00 4.72 H new ATOM 0 HH22 ARG A 20 -8.040 12.685 -6.392 1.00 4.72 H new ATOM 288 N GLY A 21 -5.879 6.372 -1.073 1.00 0.42 N ATOM 289 CA GLY A 21 -6.893 5.545 -0.454 1.00 0.43 C ATOM 290 C GLY A 21 -6.324 4.217 0.000 1.00 0.40 C ATOM 291 O GLY A 21 -6.905 3.545 0.847 1.00 0.55 O ATOM 0 H GLY A 21 -5.037 6.498 -0.512 1.00 0.42 H new ATOM 0 HA2 GLY A 21 -7.321 6.070 0.400 1.00 0.43 H new ATOM 0 HA3 GLY A 21 -7.704 5.372 -1.161 1.00 0.43 H new ATOM 295 N LEU A 22 -5.183 3.847 -0.571 1.00 0.31 N ATOM 296 CA LEU A 22 -4.488 2.615 -0.209 1.00 0.33 C ATOM 297 C LEU A 22 -3.356 2.933 0.734 1.00 0.39 C ATOM 298 O LEU A 22 -2.906 4.057 0.966 1.00 0.50 O ATOM 299 CB LEU A 22 -3.942 1.915 -1.464 1.00 0.38 C ATOM 300 CG LEU A 22 -4.979 1.269 -2.392 1.00 0.48 C ATOM 301 CD1 LEU A 22 -5.759 0.198 -1.656 1.00 1.25 C ATOM 302 CD2 LEU A 22 -5.921 2.307 -2.975 1.00 1.15 C ATOM 0 H LEU A 22 -4.714 4.390 -1.296 1.00 0.31 H new ATOM 0 HA LEU A 22 -5.193 1.944 0.282 1.00 0.33 H new ATOM 0 HB2 LEU A 22 -3.374 2.644 -2.042 1.00 0.38 H new ATOM 0 HB3 LEU A 22 -3.240 1.144 -1.147 1.00 0.38 H new ATOM 0 HG LEU A 22 -4.442 0.803 -3.218 1.00 0.48 H new ATOM 0 HD11 LEU A 22 -6.489 -0.248 -2.331 1.00 1.25 H new ATOM 0 HD12 LEU A 22 -5.074 -0.572 -1.302 1.00 1.25 H new ATOM 0 HD13 LEU A 22 -6.275 0.643 -0.806 1.00 1.25 H new ATOM 0 HD21 LEU A 22 -6.643 1.817 -3.628 1.00 1.15 H new ATOM 0 HD22 LEU A 22 -6.448 2.815 -2.167 1.00 1.15 H new ATOM 0 HD23 LEU A 22 -5.349 3.036 -3.549 1.00 1.15 H new ATOM 314 N GLN A 23 -2.846 1.870 1.345 1.00 0.43 N ATOM 315 CA GLN A 23 -1.708 1.970 2.252 1.00 0.54 C ATOM 316 C GLN A 23 -0.931 0.684 2.219 1.00 0.41 C ATOM 317 O GLN A 23 -1.412 -0.448 2.201 1.00 0.42 O ATOM 318 CB GLN A 23 -2.174 2.261 3.682 1.00 0.76 C ATOM 319 CG GLN A 23 -1.031 2.365 4.682 1.00 1.45 C ATOM 320 CD GLN A 23 -1.513 2.544 6.105 1.00 2.11 C ATOM 321 OE1 GLN A 23 -1.740 1.567 6.822 1.00 2.66 O ATOM 322 NE2 GLN A 23 -1.657 3.787 6.533 1.00 2.84 N ATOM 0 H GLN A 23 -3.205 0.923 1.228 1.00 0.43 H new ATOM 0 HA GLN A 23 -1.072 2.793 1.927 1.00 0.54 H new ATOM 0 HB2 GLN A 23 -2.739 3.193 3.689 1.00 0.76 H new ATOM 0 HB3 GLN A 23 -2.856 1.473 4.001 1.00 0.76 H new ATOM 0 HG2 GLN A 23 -0.418 1.466 4.621 1.00 1.45 H new ATOM 0 HG3 GLN A 23 -0.392 3.206 4.411 1.00 1.45 H new ATOM 0 HE21 GLN A 23 -1.459 4.568 5.908 1.00 2.84 H new ATOM 0 HE22 GLN A 23 -1.966 3.965 7.489 1.00 2.84 H new ATOM 331 N CYS A 24 0.384 0.854 2.214 1.00 0.46 N ATOM 332 CA CYS A 24 1.298 -0.279 2.185 1.00 0.44 C ATOM 333 C CYS A 24 1.449 -0.869 3.562 1.00 0.40 C ATOM 334 O CYS A 24 1.833 -0.274 4.572 1.00 0.57 O ATOM 335 CB CYS A 24 2.669 0.128 1.641 1.00 0.61 C ATOM 336 SG CYS A 24 2.651 0.669 -0.098 1.00 1.14 S ATOM 0 H CYS A 24 0.841 1.766 2.230 1.00 0.46 H new ATOM 0 HA CYS A 24 0.874 -1.030 1.519 1.00 0.44 H new ATOM 0 HB2 CYS A 24 3.067 0.935 2.257 1.00 0.61 H new ATOM 0 HB3 CYS A 24 3.352 -0.716 1.740 1.00 0.61 H new ATOM 341 N ARG A 25 1.096 -2.142 3.619 1.00 0.35 N ATOM 342 CA ARG A 25 1.314 -2.961 4.798 1.00 0.45 C ATOM 343 C ARG A 25 2.585 -3.731 4.572 1.00 0.43 C ATOM 344 O ARG A 25 3.094 -3.951 3.471 1.00 0.56 O ATOM 345 CB ARG A 25 0.134 -3.919 5.009 1.00 0.57 C ATOM 346 CG ARG A 25 0.186 -4.690 6.318 1.00 1.37 C ATOM 347 CD ARG A 25 0.014 -3.770 7.518 1.00 1.70 C ATOM 348 NE ARG A 25 -0.073 -4.509 8.773 1.00 2.29 N ATOM 349 CZ ARG A 25 -1.217 -4.727 9.420 1.00 2.97 C ATOM 350 NH1 ARG A 25 -2.365 -4.322 8.888 1.00 3.32 N ATOM 351 NH2 ARG A 25 -1.215 -5.361 10.586 1.00 3.76 N ATOM 0 H ARG A 25 0.649 -2.637 2.847 1.00 0.35 H new ATOM 0 HA ARG A 25 1.394 -2.341 5.691 1.00 0.45 H new ATOM 0 HB2 ARG A 25 -0.794 -3.349 4.973 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.104 -4.629 4.183 1.00 0.57 H new ATOM 0 HG2 ARG A 25 -0.597 -5.449 6.325 1.00 1.37 H new ATOM 0 HG3 ARG A 25 1.139 -5.214 6.394 1.00 1.37 H new ATOM 0 HD2 ARG A 25 0.853 -3.076 7.565 1.00 1.70 H new ATOM 0 HD3 ARG A 25 -0.888 -3.171 7.388 1.00 1.70 H new ATOM 0 HE ARG A 25 0.788 -4.878 9.176 1.00 2.29 H new ATOM 0 HH11 ARG A 25 -2.369 -3.845 7.986 1.00 3.32 H new ATOM 0 HH12 ARG A 25 -3.242 -4.488 9.381 1.00 3.32 H new ATOM 0 HH21 ARG A 25 -0.335 -5.683 10.990 1.00 3.76 H new ATOM 0 HH22 ARG A 25 -2.093 -5.526 11.078 1.00 3.76 H new ATOM 365 N TYR A 26 3.163 -4.165 5.690 1.00 0.57 N ATOM 366 CA TYR A 26 4.415 -4.921 5.679 1.00 0.66 C ATOM 367 C TYR A 26 4.264 -6.158 4.835 1.00 0.54 C ATOM 368 O TYR A 26 3.852 -7.257 5.213 1.00 0.68 O ATOM 369 CB TYR A 26 4.838 -5.285 7.103 1.00 0.94 C ATOM 370 CG TYR A 26 5.274 -4.092 7.925 1.00 1.57 C ATOM 371 CD1 TYR A 26 4.349 -3.153 8.363 1.00 2.34 C ATOM 372 CD2 TYR A 26 6.607 -3.912 8.273 1.00 2.25 C ATOM 373 CE1 TYR A 26 4.739 -2.070 9.126 1.00 3.40 C ATOM 374 CE2 TYR A 26 7.006 -2.831 9.035 1.00 3.35 C ATOM 375 CZ TYR A 26 6.082 -1.883 9.408 1.00 3.83 C ATOM 376 OH TYR A 26 6.458 -0.841 10.226 1.00 5.02 O ATOM 0 H TYR A 26 2.781 -4.005 6.622 1.00 0.57 H new ATOM 0 HA TYR A 26 5.196 -4.297 5.245 1.00 0.66 H new ATOM 0 HB2 TYR A 26 4.006 -5.779 7.606 1.00 0.94 H new ATOM 0 HB3 TYR A 26 5.656 -6.004 7.058 1.00 0.94 H new ATOM 0 HD1 TYR A 26 3.308 -3.272 8.103 1.00 2.34 H new ATOM 0 HD2 TYR A 26 7.344 -4.629 7.942 1.00 2.25 H new ATOM 0 HE1 TYR A 26 4.002 -1.374 9.500 1.00 3.40 H new ATOM 0 HE2 TYR A 26 8.038 -2.731 9.336 1.00 3.35 H new ATOM 0 HH TYR A 26 7.432 -0.842 10.330 1.00 5.02 H new ATOM 386 N GLY A 27 4.604 -5.951 3.570 1.00 0.43 N ATOM 387 CA GLY A 27 4.521 -7.001 2.585 1.00 0.42 C ATOM 388 C GLY A 27 3.791 -6.550 1.337 1.00 0.34 C ATOM 389 O GLY A 27 4.263 -6.771 0.219 1.00 0.39 O ATOM 0 H GLY A 27 4.940 -5.059 3.209 1.00 0.43 H new ATOM 0 HA2 GLY A 27 5.526 -7.329 2.319 1.00 0.42 H new ATOM 0 HA3 GLY A 27 4.008 -7.862 3.014 1.00 0.42 H new ATOM 393 N LYS A 28 2.654 -5.885 1.523 1.00 0.32 N ATOM 394 CA LYS A 28 1.804 -5.512 0.397 1.00 0.38 C ATOM 395 C LYS A 28 0.864 -4.403 0.771 1.00 0.29 C ATOM 396 O LYS A 28 0.601 -4.019 1.908 1.00 0.28 O ATOM 397 CB LYS A 28 1.016 -6.720 -0.114 1.00 0.60 C ATOM 398 CG LYS A 28 0.108 -7.351 0.925 1.00 0.68 C ATOM 399 CD LYS A 28 -0.732 -8.458 0.316 1.00 1.17 C ATOM 400 CE LYS A 28 -1.617 -9.125 1.355 1.00 1.65 C ATOM 401 NZ LYS A 28 -0.821 -9.825 2.403 1.00 2.20 N ATOM 0 H LYS A 28 2.302 -5.595 2.436 1.00 0.32 H new ATOM 0 HA LYS A 28 2.454 -5.156 -0.402 1.00 0.38 H new ATOM 0 HB2 LYS A 28 0.414 -6.412 -0.969 1.00 0.60 H new ATOM 0 HB3 LYS A 28 1.718 -7.473 -0.473 1.00 0.60 H new ATOM 0 HG2 LYS A 28 0.708 -7.753 1.741 1.00 0.68 H new ATOM 0 HG3 LYS A 28 -0.544 -6.590 1.354 1.00 0.68 H new ATOM 0 HD2 LYS A 28 -1.352 -8.048 -0.482 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -0.079 -9.203 -0.139 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -2.253 -8.375 1.824 1.00 1.65 H new ATOM 0 HE3 LYS A 28 -2.277 -9.840 0.864 1.00 1.65 H new ATOM 0 HZ1 LYS A 28 -1.449 -10.430 2.970 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 -0.091 -10.411 1.951 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 -0.367 -9.123 3.021 1.00 2.20 H new ATOM 415 N CYS A 29 0.300 -3.843 -0.287 1.00 0.32 N ATOM 416 CA CYS A 29 -0.592 -2.700 -0.186 1.00 0.33 C ATOM 417 C CYS A 29 -2.001 -3.168 0.057 1.00 0.34 C ATOM 418 O CYS A 29 -2.572 -4.083 -0.540 1.00 0.52 O ATOM 419 CB CYS A 29 -0.520 -1.885 -1.474 1.00 0.48 C ATOM 420 SG CYS A 29 -1.297 -0.246 -1.366 1.00 0.95 S ATOM 0 H CYS A 29 0.448 -4.169 -1.242 1.00 0.32 H new ATOM 0 HA CYS A 29 -0.285 -2.073 0.651 1.00 0.33 H new ATOM 0 HB2 CYS A 29 0.526 -1.761 -1.753 1.00 0.48 H new ATOM 0 HB3 CYS A 29 -0.999 -2.449 -2.274 1.00 0.48 H new ATOM 425 N LEU A 30 -2.624 -2.495 1.014 1.00 0.32 N ATOM 426 CA LEU A 30 -3.993 -2.795 1.411 1.00 0.38 C ATOM 427 C LEU A 30 -4.791 -1.519 1.449 1.00 0.33 C ATOM 428 O LEU A 30 -4.341 -0.379 1.292 1.00 0.45 O ATOM 429 CB LEU A 30 -4.022 -3.471 2.784 1.00 0.53 C ATOM 430 CG LEU A 30 -3.329 -4.834 2.859 1.00 0.82 C ATOM 431 CD1 LEU A 30 -3.351 -5.357 4.285 1.00 1.35 C ATOM 432 CD2 LEU A 30 -3.995 -5.833 1.921 1.00 1.19 C ATOM 0 H LEU A 30 -2.197 -1.729 1.535 1.00 0.32 H new ATOM 0 HA LEU A 30 -4.430 -3.480 0.684 1.00 0.38 H new ATOM 0 HB2 LEU A 30 -3.554 -2.804 3.508 1.00 0.53 H new ATOM 0 HB3 LEU A 30 -5.062 -3.594 3.088 1.00 0.53 H new ATOM 0 HG LEU A 30 -2.293 -4.708 2.545 1.00 0.82 H new ATOM 0 HD11 LEU A 30 -2.855 -6.327 4.325 1.00 1.35 H new ATOM 0 HD12 LEU A 30 -2.830 -4.656 4.938 1.00 1.35 H new ATOM 0 HD13 LEU A 30 -4.384 -5.464 4.618 1.00 1.35 H new ATOM 0 HD21 LEU A 30 -3.485 -6.794 1.992 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -5.041 -5.955 2.203 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -3.936 -5.465 0.897 1.00 1.19 H new ATOM 444 N VAL A 31 -6.085 -1.708 1.685 1.00 0.44 N ATOM 445 CA VAL A 31 -7.033 -0.601 1.730 1.00 0.51 C ATOM 446 C VAL A 31 -7.058 0.012 3.104 1.00 0.58 C ATOM 447 O VAL A 31 -6.916 -0.589 4.174 1.00 0.86 O ATOM 448 CB VAL A 31 -8.464 -1.046 1.346 1.00 0.82 C ATOM 449 CG1 VAL A 31 -8.523 -1.464 -0.114 1.00 1.54 C ATOM 450 CG2 VAL A 31 -8.942 -2.179 2.248 1.00 1.54 C ATOM 0 H VAL A 31 -6.503 -2.624 1.849 1.00 0.44 H new ATOM 0 HA VAL A 31 -6.697 0.135 1.000 1.00 0.51 H new ATOM 0 HB VAL A 31 -9.131 -0.196 1.487 1.00 0.82 H new ATOM 0 HG11 VAL A 31 -9.538 -1.773 -0.363 1.00 1.54 H new ATOM 0 HG12 VAL A 31 -8.235 -0.623 -0.745 1.00 1.54 H new ATOM 0 HG13 VAL A 31 -7.839 -2.296 -0.282 1.00 1.54 H new ATOM 0 HG21 VAL A 31 -9.950 -2.474 1.958 1.00 1.54 H new ATOM 0 HG22 VAL A 31 -8.271 -3.032 2.147 1.00 1.54 H new ATOM 0 HG23 VAL A 31 -8.947 -1.842 3.284 1.00 1.54 H new ATOM 460 N GLN A 32 -7.252 1.323 3.085 1.00 0.61 N ATOM 461 CA GLN A 32 -7.399 2.102 4.305 1.00 0.89 C ATOM 462 C GLN A 32 -8.811 1.962 4.796 1.00 1.12 C ATOM 463 O GLN A 32 -9.778 2.633 4.419 1.00 1.44 O ATOM 464 CB GLN A 32 -7.080 3.579 4.057 1.00 1.14 C ATOM 465 CG GLN A 32 -5.631 3.855 3.689 1.00 1.54 C ATOM 466 CD GLN A 32 -5.377 5.330 3.430 1.00 2.11 C ATOM 467 OE1 GLN A 32 -6.040 6.197 4.006 1.00 2.63 O ATOM 468 NE2 GLN A 32 -4.428 5.630 2.559 1.00 2.71 N ATOM 0 H GLN A 32 -7.312 1.874 2.228 1.00 0.61 H new ATOM 0 HA GLN A 32 -6.699 1.729 5.052 1.00 0.89 H new ATOM 0 HB2 GLN A 32 -7.722 3.947 3.257 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -7.329 4.147 4.953 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -4.981 3.512 4.494 1.00 1.54 H new ATOM 0 HG3 GLN A 32 -5.368 3.281 2.801 1.00 1.54 H new ATOM 0 HE21 GLN A 32 -3.901 4.886 2.103 1.00 2.71 H new ATOM 0 HE22 GLN A 32 -4.223 6.606 2.344 1.00 2.71 H new ATOM 477 N VAL A 33 -8.968 0.998 5.694 1.00 1.59 N ATOM 478 CA VAL A 33 -10.268 0.703 6.284 1.00 2.06 C ATOM 479 C VAL A 33 -10.561 1.716 7.361 1.00 2.56 C ATOM 480 O VAL A 33 -10.469 1.538 8.579 1.00 3.36 O ATOM 481 CB VAL A 33 -10.321 -0.727 6.872 1.00 2.90 C ATOM 482 CG1 VAL A 33 -11.730 -1.075 7.331 1.00 3.48 C ATOM 483 CG2 VAL A 33 -9.824 -1.747 5.859 1.00 3.45 C ATOM 0 H VAL A 33 -8.209 0.405 6.031 1.00 1.59 H new ATOM 0 HA VAL A 33 -11.022 0.760 5.499 1.00 2.06 H new ATOM 0 HB VAL A 33 -9.663 -0.756 7.740 1.00 2.90 H new ATOM 0 HG11 VAL A 33 -11.740 -2.085 7.740 1.00 3.48 H new ATOM 0 HG12 VAL A 33 -12.047 -0.369 8.099 1.00 3.48 H new ATOM 0 HG13 VAL A 33 -12.413 -1.020 6.483 1.00 3.48 H new ATOM 0 HG21 VAL A 33 -9.870 -2.745 6.295 1.00 3.45 H new ATOM 0 HG22 VAL A 33 -10.451 -1.710 4.968 1.00 3.45 H new ATOM 0 HG23 VAL A 33 -8.794 -1.517 5.587 1.00 3.45 H new HETATM 493 N HSL A 34 -10.911 2.899 6.877 1.00 2.62 N HETATM 494 CA HSL A 34 -11.358 4.072 7.509 1.00 3.49 C HETATM 495 C HSL A 34 -12.863 4.227 7.714 1.00 3.98 C HETATM 496 O HSL A 34 -13.652 3.275 7.712 1.00 4.33 O HETATM 497 CB HSL A 34 -10.853 5.425 7.077 1.00 4.03 C HETATM 498 CG HSL A 34 -11.830 6.485 7.509 1.00 4.92 C HETATM 499 OD HSL A 34 -13.121 5.732 7.907 1.00 4.86 O HETATM 0 HG3 HSL A 34 -11.438 7.059 8.348 1.00 4.92 H new HETATM 0 HG2 HSL A 34 -12.023 7.192 6.702 1.00 4.92 H new HETATM 0 HB3 HSL A 34 -9.874 5.617 7.516 1.00 4.03 H new HETATM 0 HB2 HSL A 34 -10.728 5.450 5.995 1.00 4.03 H new HETATM 0 HA HSL A 34 -10.845 3.819 8.437 1.00 3.49 H new TER 506 HSL A 34