USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 281 hydrogens (0 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 Single : A 1 VAL N :NH3+ 152:sc= -0.182 (180deg=-1.38!) USER MOD Single : A 4 ASN : amide:sc= 0.259 K(o=0.26,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.0213 (180deg=-0.921) USER MOD Single : A 10 SER OG : rot 142:sc= -0.533 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00205) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.701 9.923 1.989 1.00 0.00 N ATOM 2 CA VAL A 1 -1.867 8.937 3.097 1.00 0.00 C ATOM 3 C VAL A 1 -1.033 7.682 2.819 1.00 0.00 C ATOM 4 O VAL A 1 -1.517 6.571 2.912 1.00 0.00 O ATOM 5 CB VAL A 1 -3.358 8.599 3.104 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.743 7.958 1.770 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.652 7.621 4.244 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.557 10.509 1.914 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.881 10.532 2.186 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.549 9.417 1.093 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.533 9.333 4.056 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.937 9.511 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.806 7.717 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.533 8.654 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.165 7.045 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.715 7.379 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.073 6.709 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.378 8.078 5.195 1.00 0.00 H new ATOM 19 N PHE A 2 0.219 7.848 2.483 1.00 0.00 N ATOM 20 CA PHE A 2 1.079 6.662 2.205 1.00 0.00 C ATOM 21 C PHE A 2 1.825 6.240 3.474 1.00 0.00 C ATOM 22 O PHE A 2 1.667 6.832 4.523 1.00 0.00 O ATOM 23 CB PHE A 2 2.072 7.128 1.137 1.00 0.00 C ATOM 24 CG PHE A 2 1.332 7.550 -0.115 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.014 7.127 -0.337 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.971 8.366 -1.056 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.660 7.519 -1.499 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.295 8.758 -2.218 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.021 8.335 -2.439 1.00 0.00 C ATOM 0 H PHE A 2 0.682 8.752 2.389 1.00 0.00 H new ATOM 0 HA PHE A 2 0.496 5.803 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.663 7.961 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.769 6.324 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.481 6.499 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.986 8.693 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.675 7.191 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.789 9.387 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.543 8.638 -3.335 1.00 0.00 H new ATOM 39 N ILE A 3 2.638 5.223 3.386 1.00 0.00 N ATOM 40 CA ILE A 3 3.395 4.765 4.591 1.00 0.00 C ATOM 41 C ILE A 3 4.852 4.482 4.217 1.00 0.00 C ATOM 42 O ILE A 3 5.155 4.084 3.107 1.00 0.00 O ATOM 43 CB ILE A 3 2.716 3.472 5.083 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.414 3.201 4.314 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.395 3.611 6.573 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.884 1.812 4.676 1.00 0.00 C ATOM 0 H ILE A 3 2.812 4.689 2.535 1.00 0.00 H new ATOM 0 HA ILE A 3 3.390 5.528 5.369 1.00 0.00 H new ATOM 0 HB ILE A 3 3.398 2.639 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.671 3.960 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.594 3.265 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.914 2.700 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.317 3.776 7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.725 4.457 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.040 1.621 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.625 1.059 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.688 1.765 5.747 1.00 0.00 H new ATOM 58 N ASN A 4 5.753 4.686 5.140 1.00 0.00 N ATOM 59 CA ASN A 4 7.195 4.434 4.850 1.00 0.00 C ATOM 60 C ASN A 4 7.473 2.930 4.820 1.00 0.00 C ATOM 61 O ASN A 4 8.534 2.492 4.421 1.00 0.00 O ATOM 62 CB ASN A 4 7.956 5.101 5.998 1.00 0.00 C ATOM 63 CG ASN A 4 7.377 4.642 7.337 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.448 5.236 7.847 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.892 3.603 7.935 1.00 0.00 N ATOM 0 H ASN A 4 5.553 5.017 6.084 1.00 0.00 H new ATOM 0 HA ASN A 4 7.496 4.831 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.014 4.846 5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.885 6.185 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.515 3.290 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.672 3.103 7.508 1.00 0.00 H new ATOM 72 N ALA A 5 6.526 2.132 5.235 1.00 0.00 N ATOM 73 CA ALA A 5 6.740 0.657 5.222 1.00 0.00 C ATOM 74 C ALA A 5 7.398 0.239 3.905 1.00 0.00 C ATOM 75 O ALA A 5 6.794 0.300 2.853 1.00 0.00 O ATOM 76 CB ALA A 5 5.340 0.052 5.343 1.00 0.00 C ATOM 0 H ALA A 5 5.616 2.437 5.581 1.00 0.00 H new ATOM 0 HA ALA A 5 7.395 0.323 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.412 -1.036 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.880 0.383 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.729 0.377 4.501 1.00 0.00 H new ATOM 82 N LYS A 6 8.632 -0.182 3.955 1.00 0.00 N ATOM 83 CA LYS A 6 9.327 -0.598 2.703 1.00 0.00 C ATOM 84 C LYS A 6 8.581 -1.754 2.039 1.00 0.00 C ATOM 85 O LYS A 6 8.791 -2.908 2.355 1.00 0.00 O ATOM 86 CB LYS A 6 10.713 -1.050 3.147 1.00 0.00 C ATOM 87 CG LYS A 6 11.653 -1.091 1.939 1.00 0.00 C ATOM 88 CD LYS A 6 12.774 -2.102 2.198 1.00 0.00 C ATOM 89 CE LYS A 6 13.101 -2.849 0.903 1.00 0.00 C ATOM 90 NZ LYS A 6 13.373 -1.779 -0.097 1.00 0.00 N ATOM 0 H LYS A 6 9.189 -0.256 4.807 1.00 0.00 H new ATOM 0 HA LYS A 6 9.374 0.212 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.104 -0.368 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.654 -2.036 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.098 -1.369 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.075 -0.102 1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.662 -1.589 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.469 -2.808 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.966 -3.500 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.269 -3.480 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.095 -2.108 -0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.498 -1.554 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.716 -0.927 0.391 1.00 0.00 H new ATOM 104 N CYS A 7 7.719 -1.452 1.114 1.00 0.00 N ATOM 105 CA CYS A 7 6.961 -2.530 0.418 1.00 0.00 C ATOM 106 C CYS A 7 7.901 -3.307 -0.506 1.00 0.00 C ATOM 107 O CYS A 7 8.891 -2.784 -0.978 1.00 0.00 O ATOM 108 CB CYS A 7 5.882 -1.804 -0.387 1.00 0.00 C ATOM 109 SG CYS A 7 6.653 -0.869 -1.730 1.00 0.00 S ATOM 0 H CYS A 7 7.504 -0.503 0.807 1.00 0.00 H new ATOM 0 HA CYS A 7 6.525 -3.250 1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.171 -2.524 -0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.320 -1.132 0.262 1.00 0.00 H new ATOM 114 N ARG A 8 7.612 -4.553 -0.761 1.00 0.00 N ATOM 115 CA ARG A 8 8.506 -5.353 -1.647 1.00 0.00 C ATOM 116 C ARG A 8 7.724 -5.925 -2.832 1.00 0.00 C ATOM 117 O ARG A 8 8.294 -6.488 -3.745 1.00 0.00 O ATOM 118 CB ARG A 8 9.033 -6.484 -0.762 1.00 0.00 C ATOM 119 CG ARG A 8 9.456 -5.917 0.596 1.00 0.00 C ATOM 120 CD ARG A 8 10.560 -6.793 1.194 1.00 0.00 C ATOM 121 NE ARG A 8 11.633 -5.841 1.591 1.00 0.00 N ATOM 122 CZ ARG A 8 12.868 -6.067 1.240 1.00 0.00 C ATOM 123 NH1 ARG A 8 13.130 -6.605 0.081 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.844 -5.758 2.050 1.00 0.00 N ATOM 0 H ARG A 8 6.800 -5.051 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 8 9.310 -4.748 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.262 -7.243 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.880 -6.972 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.812 -4.893 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.600 -5.882 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.195 -7.357 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.925 -7.519 0.467 1.00 0.00 H new ATOM 0 HE ARG A 8 11.402 -5.012 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.368 -6.849 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.097 -6.781 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.640 -5.340 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.810 -5.935 1.775 1.00 0.00 H new ATOM 138 N GLY A 9 6.426 -5.793 -2.827 1.00 0.00 N ATOM 139 CA GLY A 9 5.628 -6.340 -3.961 1.00 0.00 C ATOM 140 C GLY A 9 4.298 -5.595 -4.078 1.00 0.00 C ATOM 141 O GLY A 9 3.617 -5.357 -3.100 1.00 0.00 O ATOM 0 H GLY A 9 5.887 -5.334 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.190 -6.244 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.445 -7.403 -3.807 1.00 0.00 H new ATOM 145 N SER A 10 3.918 -5.236 -5.274 1.00 0.00 N ATOM 146 CA SER A 10 2.628 -4.516 -5.469 1.00 0.00 C ATOM 147 C SER A 10 1.473 -5.282 -4.806 1.00 0.00 C ATOM 148 O SER A 10 0.702 -4.702 -4.067 1.00 0.00 O ATOM 149 CB SER A 10 2.423 -4.456 -6.985 1.00 0.00 C ATOM 150 OG SER A 10 3.529 -5.063 -7.641 1.00 0.00 O ATOM 0 H SER A 10 4.448 -5.411 -6.128 1.00 0.00 H new ATOM 0 HA SER A 10 2.649 -3.524 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.500 -4.968 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.320 -3.420 -7.307 1.00 0.00 H new ATOM 0 HG SER A 10 3.212 -5.565 -8.420 1.00 0.00 H new ATOM 156 N PRO A 11 1.377 -6.561 -5.093 1.00 0.00 N ATOM 157 CA PRO A 11 0.290 -7.386 -4.512 1.00 0.00 C ATOM 158 C PRO A 11 0.397 -7.419 -2.985 1.00 0.00 C ATOM 159 O PRO A 11 -0.540 -7.772 -2.296 1.00 0.00 O ATOM 160 CB PRO A 11 0.550 -8.767 -5.123 1.00 0.00 C ATOM 161 CG PRO A 11 1.782 -8.678 -6.043 1.00 0.00 C ATOM 162 CD PRO A 11 2.334 -7.247 -5.996 1.00 0.00 C ATOM 0 HA PRO A 11 -0.710 -7.009 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.719 -9.502 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.320 -9.100 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.545 -9.387 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.510 -8.944 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.352 -7.218 -5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.358 -6.789 -6.985 1.00 0.00 H new ATOM 170 N GLU A 12 1.527 -7.044 -2.452 1.00 0.00 N ATOM 171 CA GLU A 12 1.687 -7.044 -0.969 1.00 0.00 C ATOM 172 C GLU A 12 1.094 -5.758 -0.385 1.00 0.00 C ATOM 173 O GLU A 12 0.461 -5.768 0.653 1.00 0.00 O ATOM 174 CB GLU A 12 3.198 -7.096 -0.735 1.00 0.00 C ATOM 175 CG GLU A 12 3.482 -7.157 0.767 1.00 0.00 C ATOM 176 CD GLU A 12 4.829 -7.841 1.005 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.927 -9.026 0.728 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.740 -7.170 1.461 1.00 0.00 O ATOM 0 H GLU A 12 2.346 -6.738 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 12 1.175 -7.880 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.623 -7.968 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.674 -6.217 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.494 -6.151 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.689 -7.705 1.276 1.00 0.00 H new ATOM 185 N CYS A 13 1.289 -4.653 -1.051 1.00 0.00 N ATOM 186 CA CYS A 13 0.732 -3.369 -0.540 1.00 0.00 C ATOM 187 C CYS A 13 -0.797 -3.402 -0.598 1.00 0.00 C ATOM 188 O CYS A 13 -1.470 -2.655 0.082 1.00 0.00 O ATOM 189 CB CYS A 13 1.282 -2.293 -1.476 1.00 0.00 C ATOM 190 SG CYS A 13 2.515 -1.302 -0.596 1.00 0.00 S ATOM 0 H CYS A 13 1.809 -4.584 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 13 1.009 -3.182 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.731 -2.755 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.472 -1.655 -1.830 1.00 0.00 H new ATOM 195 N LEU A 14 -1.354 -4.267 -1.404 1.00 0.00 N ATOM 196 CA LEU A 14 -2.837 -4.344 -1.496 1.00 0.00 C ATOM 197 C LEU A 14 -3.416 -4.779 -0.141 1.00 0.00 C ATOM 198 O LEU A 14 -4.183 -4.049 0.455 1.00 0.00 O ATOM 199 CB LEU A 14 -3.121 -5.379 -2.585 1.00 0.00 C ATOM 200 CG LEU A 14 -3.591 -4.672 -3.859 1.00 0.00 C ATOM 201 CD1 LEU A 14 -2.388 -4.056 -4.576 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.268 -5.686 -4.784 1.00 0.00 C ATOM 0 H LEU A 14 -0.846 -4.921 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.295 -3.386 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.222 -5.961 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.883 -6.080 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.300 -3.886 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.723 -3.553 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.903 -3.334 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.679 -4.842 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.603 -5.184 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.558 -6.471 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.126 -6.127 -4.275 1.00 0.00 H new ATOM 214 N PRO A 15 -3.021 -5.945 0.321 1.00 0.00 N ATOM 215 CA PRO A 15 -3.507 -6.441 1.631 1.00 0.00 C ATOM 216 C PRO A 15 -3.108 -5.464 2.739 1.00 0.00 C ATOM 217 O PRO A 15 -3.809 -5.294 3.717 1.00 0.00 O ATOM 218 CB PRO A 15 -2.759 -7.769 1.789 1.00 0.00 C ATOM 219 CG PRO A 15 -1.856 -7.978 0.559 1.00 0.00 C ATOM 220 CD PRO A 15 -2.086 -6.823 -0.425 1.00 0.00 C ATOM 0 HA PRO A 15 -4.590 -6.548 1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.160 -7.759 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.467 -8.592 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.809 -8.014 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.083 -8.931 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.157 -6.309 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.517 -7.170 -1.364 1.00 0.00 H new ATOM 228 N LYS A 16 -1.980 -4.822 2.587 1.00 0.00 N ATOM 229 CA LYS A 16 -1.519 -3.855 3.624 1.00 0.00 C ATOM 230 C LYS A 16 -2.491 -2.679 3.724 1.00 0.00 C ATOM 231 O LYS A 16 -3.000 -2.369 4.782 1.00 0.00 O ATOM 232 CB LYS A 16 -0.154 -3.373 3.130 1.00 0.00 C ATOM 233 CG LYS A 16 0.943 -4.281 3.686 1.00 0.00 C ATOM 234 CD LYS A 16 1.142 -3.985 5.173 1.00 0.00 C ATOM 235 CE LYS A 16 2.549 -4.415 5.596 1.00 0.00 C ATOM 236 NZ LYS A 16 3.243 -3.151 5.966 1.00 0.00 N ATOM 0 H LYS A 16 -1.357 -4.927 1.786 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.464 -4.308 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.128 -3.379 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.016 -2.344 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.671 -5.327 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.874 -4.119 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.002 -2.921 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.395 -4.516 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.514 -5.107 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.066 -4.926 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.215 -3.364 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.267 -2.515 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.732 -2.690 6.746 1.00 0.00 H new ATOM 250 N CYS A 17 -2.749 -2.022 2.628 1.00 0.00 N ATOM 251 CA CYS A 17 -3.687 -0.863 2.659 1.00 0.00 C ATOM 252 C CYS A 17 -5.045 -1.301 3.217 1.00 0.00 C ATOM 253 O CYS A 17 -5.672 -0.588 3.976 1.00 0.00 O ATOM 254 CB CYS A 17 -3.821 -0.420 1.201 1.00 0.00 C ATOM 255 SG CYS A 17 -2.194 0.041 0.554 1.00 0.00 S ATOM 0 H CYS A 17 -2.352 -2.236 1.713 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.327 -0.055 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.246 -1.226 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.505 0.425 1.129 1.00 0.00 H new ATOM 260 N LYS A 18 -5.502 -2.467 2.850 1.00 0.00 N ATOM 261 CA LYS A 18 -6.818 -2.945 3.364 1.00 0.00 C ATOM 262 C LYS A 18 -6.793 -3.017 4.892 1.00 0.00 C ATOM 263 O LYS A 18 -7.705 -2.568 5.558 1.00 0.00 O ATOM 264 CB LYS A 18 -6.995 -4.342 2.766 1.00 0.00 C ATOM 265 CG LYS A 18 -8.252 -4.991 3.347 1.00 0.00 C ATOM 266 CD LYS A 18 -7.994 -6.480 3.587 1.00 0.00 C ATOM 267 CE LYS A 18 -9.248 -7.125 4.181 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.753 -7.945 5.322 1.00 0.00 N ATOM 0 H LYS A 18 -5.023 -3.108 2.218 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.635 -2.278 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.075 -4.277 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.122 -4.956 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.527 -4.503 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.090 -4.862 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.729 -6.970 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.150 -6.609 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.960 -6.370 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.762 -7.742 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.556 -8.420 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.083 -8.659 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.275 -7.329 6.010 1.00 0.00 H new ATOM 282 N GLU A 19 -5.756 -3.575 5.452 1.00 0.00 N ATOM 283 CA GLU A 19 -5.672 -3.672 6.938 1.00 0.00 C ATOM 284 C GLU A 19 -5.426 -2.288 7.543 1.00 0.00 C ATOM 285 O GLU A 19 -5.619 -2.071 8.722 1.00 0.00 O ATOM 286 CB GLU A 19 -4.485 -4.598 7.208 1.00 0.00 C ATOM 287 CG GLU A 19 -4.847 -6.029 6.804 1.00 0.00 C ATOM 288 CD GLU A 19 -3.668 -6.957 7.098 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.607 -6.732 6.539 1.00 0.00 O ATOM 290 OE2 GLU A 19 -3.846 -7.880 7.877 1.00 0.00 O ATOM 0 H GLU A 19 -4.963 -3.968 4.946 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.592 -4.052 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.613 -4.261 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.218 -4.564 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.729 -6.360 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.097 -6.066 5.744 1.00 0.00 H new ATOM 297 N ALA A 20 -5.001 -1.349 6.741 1.00 0.00 N ATOM 298 CA ALA A 20 -4.743 0.022 7.268 1.00 0.00 C ATOM 299 C ALA A 20 -6.013 0.873 7.165 1.00 0.00 C ATOM 300 O ALA A 20 -6.366 1.591 8.079 1.00 0.00 O ATOM 301 CB ALA A 20 -3.641 0.590 6.373 1.00 0.00 C ATOM 0 H ALA A 20 -4.821 -1.472 5.744 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.450 0.014 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.394 1.601 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.755 -0.041 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.988 0.615 5.340 1.00 0.00 H new ATOM 307 N ILE A 21 -6.702 0.796 6.059 1.00 0.00 N ATOM 308 CA ILE A 21 -7.951 1.598 5.901 1.00 0.00 C ATOM 309 C ILE A 21 -9.162 0.669 5.768 1.00 0.00 C ATOM 310 O ILE A 21 -10.241 0.972 6.236 1.00 0.00 O ATOM 311 CB ILE A 21 -7.758 2.422 4.621 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.046 1.578 3.557 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.915 3.659 4.933 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.174 2.262 2.194 1.00 0.00 C ATOM 0 H ILE A 21 -6.455 0.214 5.259 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.133 2.240 6.763 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.734 2.727 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.995 1.456 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.482 0.580 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.778 4.245 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.423 4.266 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.942 3.349 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.668 1.663 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.228 2.361 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.717 3.251 2.239 1.00 0.00 H new ATOM 326 N GLY A 22 -8.990 -0.463 5.141 1.00 0.00 N ATOM 327 CA GLY A 22 -10.133 -1.407 4.988 1.00 0.00 C ATOM 328 C GLY A 22 -10.244 -1.861 3.531 1.00 0.00 C ATOM 329 O GLY A 22 -10.935 -2.812 3.221 1.00 0.00 O ATOM 0 H GLY A 22 -8.110 -0.774 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.991 -2.271 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.059 -0.923 5.299 1.00 0.00 H new ATOM 333 N LYS A 23 -9.575 -1.194 2.633 1.00 0.00 N ATOM 334 CA LYS A 23 -9.654 -1.597 1.199 1.00 0.00 C ATOM 335 C LYS A 23 -8.251 -1.807 0.624 1.00 0.00 C ATOM 336 O LYS A 23 -7.313 -1.120 0.978 1.00 0.00 O ATOM 337 CB LYS A 23 -10.353 -0.431 0.499 1.00 0.00 C ATOM 338 CG LYS A 23 -10.888 -0.896 -0.856 1.00 0.00 C ATOM 339 CD LYS A 23 -12.403 -0.682 -0.907 1.00 0.00 C ATOM 340 CE LYS A 23 -13.067 -1.893 -1.565 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.812 -1.337 -2.728 1.00 0.00 N ATOM 0 H LYS A 23 -8.979 -0.390 2.827 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.191 -2.536 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.171 -0.060 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.656 0.396 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.404 -0.341 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.653 -1.949 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.795 -0.541 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.635 0.223 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.325 -2.625 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.738 -2.401 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.295 -2.108 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.515 -0.648 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.146 -0.866 -3.373 1.00 0.00 H new ATOM 355 N ALA A 24 -8.101 -2.752 -0.263 1.00 0.00 N ATOM 356 CA ALA A 24 -6.761 -3.010 -0.864 1.00 0.00 C ATOM 357 C ALA A 24 -6.590 -2.191 -2.146 1.00 0.00 C ATOM 358 O ALA A 24 -6.401 -2.729 -3.218 1.00 0.00 O ATOM 359 CB ALA A 24 -6.748 -4.505 -1.180 1.00 0.00 C ATOM 0 H ALA A 24 -8.850 -3.358 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.948 -2.728 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.791 -4.774 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.891 -5.072 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.552 -4.736 -1.878 1.00 0.00 H new ATOM 365 N ALA A 25 -6.656 -0.893 -2.043 1.00 0.00 N ATOM 366 CA ALA A 25 -6.495 -0.041 -3.255 1.00 0.00 C ATOM 367 C ALA A 25 -5.224 0.804 -3.141 1.00 0.00 C ATOM 368 O ALA A 25 -5.261 1.946 -2.727 1.00 0.00 O ATOM 369 CB ALA A 25 -7.734 0.856 -3.276 1.00 0.00 C ATOM 0 H ALA A 25 -6.814 -0.385 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.404 -0.632 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.691 1.516 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.630 0.238 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.766 1.454 -2.365 1.00 0.00 H new ATOM 375 N GLY A 26 -4.098 0.251 -3.504 1.00 0.00 N ATOM 376 CA GLY A 26 -2.827 1.023 -3.414 1.00 0.00 C ATOM 377 C GLY A 26 -1.736 0.305 -4.209 1.00 0.00 C ATOM 378 O GLY A 26 -1.962 -0.739 -4.788 1.00 0.00 O ATOM 0 H GLY A 26 -4.004 -0.701 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.973 2.030 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.524 1.125 -2.372 1.00 0.00 H new ATOM 382 N LYS A 27 -0.553 0.856 -4.242 1.00 0.00 N ATOM 383 CA LYS A 27 0.552 0.202 -5.000 1.00 0.00 C ATOM 384 C LYS A 27 1.856 0.270 -4.202 1.00 0.00 C ATOM 385 O LYS A 27 1.916 0.851 -3.136 1.00 0.00 O ATOM 386 CB LYS A 27 0.678 1.007 -6.295 1.00 0.00 C ATOM 387 CG LYS A 27 -0.702 1.167 -6.936 1.00 0.00 C ATOM 388 CD LYS A 27 -1.261 2.551 -6.603 1.00 0.00 C ATOM 389 CE LYS A 27 -2.148 3.036 -7.753 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.207 3.643 -8.735 1.00 0.00 N ATOM 0 H LYS A 27 -0.304 1.729 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 27 0.350 -0.852 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.109 1.986 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.354 0.502 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.630 1.043 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.377 0.393 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.837 2.509 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.445 3.254 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.704 2.211 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.881 3.764 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.662 3.689 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.954 4.603 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.347 3.061 -8.797 1.00 0.00 H new ATOM 404 N CYS A 28 2.901 -0.316 -4.715 1.00 0.00 N ATOM 405 CA CYS A 28 4.206 -0.285 -3.993 1.00 0.00 C ATOM 406 C CYS A 28 5.282 0.327 -4.899 1.00 0.00 C ATOM 407 O CYS A 28 5.640 -0.235 -5.915 1.00 0.00 O ATOM 408 CB CYS A 28 4.512 -1.757 -3.681 1.00 0.00 C ATOM 409 SG CYS A 28 6.287 -1.979 -3.376 1.00 0.00 S ATOM 0 H CYS A 28 2.909 -0.816 -5.604 1.00 0.00 H new ATOM 0 HA CYS A 28 4.179 0.319 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.943 -2.077 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.198 -2.386 -4.514 1.00 0.00 H new ATOM 414 N MET A 29 5.796 1.472 -4.540 1.00 0.00 N ATOM 415 CA MET A 29 6.845 2.114 -5.386 1.00 0.00 C ATOM 416 C MET A 29 7.873 2.831 -4.506 1.00 0.00 C ATOM 417 O MET A 29 7.602 3.182 -3.376 1.00 0.00 O ATOM 418 CB MET A 29 6.089 3.121 -6.256 1.00 0.00 C ATOM 419 CG MET A 29 5.262 2.375 -7.305 1.00 0.00 C ATOM 420 SD MET A 29 5.597 3.063 -8.944 1.00 0.00 S ATOM 421 CE MET A 29 5.188 1.581 -9.899 1.00 0.00 C ATOM 0 H MET A 29 5.537 1.990 -3.700 1.00 0.00 H new ATOM 0 HA MET A 29 7.394 1.387 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.438 3.736 -5.635 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.793 3.795 -6.745 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.507 1.313 -7.288 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.200 2.460 -7.074 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.327 1.783 -10.961 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.841 0.762 -9.597 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.150 1.305 -9.715 1.00 0.00 H new ATOM 431 N ASN A 30 9.054 3.050 -5.020 1.00 0.00 N ATOM 432 CA ASN A 30 10.101 3.745 -4.217 1.00 0.00 C ATOM 433 C ASN A 30 10.250 3.080 -2.846 1.00 0.00 C ATOM 434 O ASN A 30 10.685 3.694 -1.893 1.00 0.00 O ATOM 435 CB ASN A 30 9.596 5.178 -4.061 1.00 0.00 C ATOM 436 CG ASN A 30 9.992 5.996 -5.292 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.652 5.644 -6.404 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.702 7.080 -5.139 1.00 0.00 N ATOM 0 H ASN A 30 9.339 2.778 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 30 11.079 3.705 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.513 5.182 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.017 5.627 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.972 7.632 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.987 7.375 -4.205 1.00 0.00 H new ATOM 445 N GLY A 31 9.892 1.830 -2.741 1.00 0.00 N ATOM 446 CA GLY A 31 10.014 1.130 -1.431 1.00 0.00 C ATOM 447 C GLY A 31 8.997 1.708 -0.445 1.00 0.00 C ATOM 448 O GLY A 31 9.283 1.884 0.723 1.00 0.00 O ATOM 0 H GLY A 31 9.521 1.264 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.843 0.061 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.024 1.246 -1.038 1.00 0.00 H new ATOM 452 N LYS A 32 7.813 2.007 -0.904 1.00 0.00 N ATOM 453 CA LYS A 32 6.777 2.572 0.010 1.00 0.00 C ATOM 454 C LYS A 32 5.389 2.078 -0.402 1.00 0.00 C ATOM 455 O LYS A 32 5.213 1.510 -1.463 1.00 0.00 O ATOM 456 CB LYS A 32 6.883 4.089 -0.154 1.00 0.00 C ATOM 457 CG LYS A 32 7.708 4.667 0.998 1.00 0.00 C ATOM 458 CD LYS A 32 8.119 6.104 0.666 1.00 0.00 C ATOM 459 CE LYS A 32 6.902 7.027 0.786 1.00 0.00 C ATOM 460 NZ LYS A 32 7.203 7.910 1.947 1.00 0.00 N ATOM 0 H LYS A 32 7.517 1.885 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 32 6.928 2.268 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.351 4.331 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.889 4.535 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.127 4.648 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.594 4.055 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.906 6.434 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.527 6.152 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.756 7.608 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.988 6.456 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.414 8.572 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.331 7.330 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.074 8.446 1.759 1.00 0.00 H new ATOM 474 N CYS A 33 4.401 2.280 0.427 1.00 0.00 N ATOM 475 CA CYS A 33 3.030 1.808 0.073 1.00 0.00 C ATOM 476 C CYS A 33 2.109 2.995 -0.225 1.00 0.00 C ATOM 477 O CYS A 33 1.929 3.875 0.592 1.00 0.00 O ATOM 478 CB CYS A 33 2.539 1.052 1.306 1.00 0.00 C ATOM 479 SG CYS A 33 1.446 -0.297 0.792 1.00 0.00 S ATOM 0 H CYS A 33 4.482 2.749 1.329 1.00 0.00 H new ATOM 0 HA CYS A 33 3.034 1.182 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.387 0.655 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.008 1.730 1.974 1.00 0.00 H new ATOM 484 N LYS A 34 1.521 3.019 -1.390 1.00 0.00 N ATOM 485 CA LYS A 34 0.605 4.145 -1.740 1.00 0.00 C ATOM 486 C LYS A 34 -0.849 3.666 -1.731 1.00 0.00 C ATOM 487 O LYS A 34 -1.360 3.185 -2.723 1.00 0.00 O ATOM 488 CB LYS A 34 1.020 4.571 -3.150 1.00 0.00 C ATOM 489 CG LYS A 34 2.130 5.621 -3.062 1.00 0.00 C ATOM 490 CD LYS A 34 2.113 6.489 -4.321 1.00 0.00 C ATOM 491 CE LYS A 34 2.284 5.602 -5.556 1.00 0.00 C ATOM 492 NZ LYS A 34 3.554 6.060 -6.186 1.00 0.00 N ATOM 0 H LYS A 34 1.634 2.310 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 34 0.673 4.968 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.367 3.706 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.162 4.978 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.988 6.242 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.099 5.133 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.174 7.040 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.914 7.227 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.337 4.549 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.442 5.711 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.740 5.498 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.471 7.064 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.338 5.938 -5.514 1.00 0.00 H new ATOM 506 N CYS A 35 -1.522 3.790 -0.617 1.00 0.00 N ATOM 507 CA CYS A 35 -2.943 3.338 -0.550 1.00 0.00 C ATOM 508 C CYS A 35 -3.884 4.495 -0.899 1.00 0.00 C ATOM 509 O CYS A 35 -3.657 5.628 -0.520 1.00 0.00 O ATOM 510 CB CYS A 35 -3.156 2.895 0.899 1.00 0.00 C ATOM 511 SG CYS A 35 -1.791 1.824 1.416 1.00 0.00 S ATOM 0 H CYS A 35 -1.150 4.184 0.247 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.151 2.534 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.214 3.766 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.103 2.364 0.992 1.00 0.00 H new ATOM 516 N TYR A 36 -4.939 4.220 -1.617 1.00 0.00 N ATOM 517 CA TYR A 36 -5.894 5.306 -1.985 1.00 0.00 C ATOM 518 C TYR A 36 -7.244 5.076 -1.290 1.00 0.00 C ATOM 519 O TYR A 36 -7.717 3.959 -1.229 1.00 0.00 O ATOM 520 CB TYR A 36 -6.048 5.196 -3.503 1.00 0.00 C ATOM 521 CG TYR A 36 -5.091 6.149 -4.180 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.711 5.931 -4.098 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.584 7.251 -4.890 1.00 0.00 C ATOM 524 CE1 TYR A 36 -2.823 6.814 -4.724 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.696 8.134 -5.518 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.315 7.916 -5.434 1.00 0.00 C ATOM 527 OH TYR A 36 -2.441 8.786 -6.052 1.00 0.00 O ATOM 0 H TYR A 36 -5.181 3.292 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.541 6.291 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.849 4.174 -3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.073 5.427 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.331 5.081 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.649 7.420 -4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.758 6.645 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.076 8.983 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.948 9.494 -6.501 1.00 0.00 H new ATOM 537 N PRO A 37 -7.828 6.138 -0.786 1.00 0.00 N ATOM 538 CA PRO A 37 -9.134 6.030 -0.093 1.00 0.00 C ATOM 539 C PRO A 37 -10.215 5.535 -1.059 1.00 0.00 C ATOM 540 O PRO A 37 -11.294 6.106 -1.052 1.00 0.00 O ATOM 541 CB PRO A 37 -9.407 7.472 0.343 1.00 0.00 C ATOM 542 CG PRO A 37 -8.237 8.361 -0.123 1.00 0.00 C ATOM 543 CD PRO A 37 -7.223 7.488 -0.874 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.945 4.595 -1.789 1.00 0.00 O ATOM 0 HA PRO A 37 -9.131 5.324 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.344 7.825 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.513 7.525 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.603 9.157 -0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.762 8.840 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.099 7.810 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.237 7.521 -0.410 1.00 0.00 H new TER 552 PRO A 37