USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 285 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 MET CE :methyl 163:sc= -0.0659 (180deg=-0.475) USER MOD Single : A 1 MET N :NH3+ -96:sc= 0.0609 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 58:sc= -0.87 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -1.69 (180deg=-1.85) USER MOD Single : A 29 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.73) USER MOD Single : A 32 ASN : amide:sc= -2.5! K(o=-2.5!,f=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= 1.14 (180deg=0.0514) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.305 0.696 3.606 1.00 0.00 N ATOM 2 CA MET A 1 -26.046 1.187 2.991 1.00 0.00 C ATOM 3 C MET A 1 -25.847 0.579 1.610 1.00 0.00 C ATOM 4 O MET A 1 -26.401 -0.476 1.299 1.00 0.00 O ATOM 5 CB MET A 1 -24.853 0.845 3.886 1.00 0.00 C ATOM 6 CG MET A 1 -23.556 1.514 3.456 1.00 0.00 C ATOM 7 SD MET A 1 -23.675 3.314 3.429 1.00 0.00 S ATOM 8 CE MET A 1 -24.014 3.663 5.153 1.00 0.00 C ATOM 0 H1 MET A 1 -28.066 1.384 3.435 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.564 -0.219 3.184 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.168 0.579 4.630 1.00 0.00 H new ATOM 0 HA MET A 1 -26.117 2.270 2.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.082 1.140 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.711 -0.236 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.757 1.217 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.280 1.158 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.818 4.716 5.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.058 3.440 5.371 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.372 3.046 5.782 1.00 0.00 H new ATOM 20 N THR A 2 -25.051 1.249 0.786 1.00 0.00 N ATOM 21 CA THR A 2 -24.785 0.783 -0.566 1.00 0.00 C ATOM 22 C THR A 2 -23.434 0.092 -0.664 1.00 0.00 C ATOM 23 O THR A 2 -22.452 0.540 -0.072 1.00 0.00 O ATOM 24 CB THR A 2 -24.816 1.950 -1.563 1.00 0.00 C ATOM 25 OG1 THR A 2 -25.225 3.150 -0.898 1.00 0.00 O ATOM 26 CG2 THR A 2 -25.769 1.654 -2.703 1.00 0.00 C ATOM 0 H THR A 2 -24.578 2.119 1.033 1.00 0.00 H new ATOM 0 HA THR A 2 -25.569 0.067 -0.813 1.00 0.00 H new ATOM 0 HB THR A 2 -23.813 2.082 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 2 -24.616 3.335 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 2 -25.776 2.493 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.444 0.754 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 2 -26.773 1.502 -2.308 1.00 0.00 H new ATOM 34 N PHE A 3 -23.391 -1.003 -1.416 1.00 0.00 N ATOM 35 CA PHE A 3 -22.154 -1.747 -1.600 1.00 0.00 C ATOM 36 C PHE A 3 -21.120 -0.874 -2.297 1.00 0.00 C ATOM 37 O PHE A 3 -19.922 -0.978 -2.030 1.00 0.00 O ATOM 38 CB PHE A 3 -22.405 -3.016 -2.414 1.00 0.00 C ATOM 39 CG PHE A 3 -21.394 -4.090 -2.144 1.00 0.00 C ATOM 40 CD1 PHE A 3 -21.336 -4.696 -0.902 1.00 0.00 C ATOM 41 CD2 PHE A 3 -20.500 -4.488 -3.124 1.00 0.00 C ATOM 42 CE1 PHE A 3 -20.406 -5.681 -0.638 1.00 0.00 C ATOM 43 CE2 PHE A 3 -19.566 -5.474 -2.868 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.519 -6.071 -1.623 1.00 0.00 C ATOM 0 H PHE A 3 -24.197 -1.392 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.774 -2.036 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.401 -3.396 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.392 -2.770 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -22.027 -4.395 -0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -20.533 -4.023 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -20.372 -6.146 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.874 -5.777 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.790 -6.841 -1.420 1.00 0.00 H new ATOM 54 N ALA A 4 -21.594 -0.012 -3.191 1.00 0.00 N ATOM 55 CA ALA A 4 -20.717 0.893 -3.919 1.00 0.00 C ATOM 56 C ALA A 4 -20.111 1.918 -2.970 1.00 0.00 C ATOM 57 O ALA A 4 -18.952 2.305 -3.114 1.00 0.00 O ATOM 58 CB ALA A 4 -21.479 1.588 -5.037 1.00 0.00 C ATOM 0 H ALA A 4 -22.582 0.077 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.909 0.311 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.808 2.261 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.871 0.842 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.305 2.160 -4.614 1.00 0.00 H new ATOM 64 N GLU A 5 -20.908 2.352 -1.996 1.00 0.00 N ATOM 65 CA GLU A 5 -20.450 3.326 -1.014 1.00 0.00 C ATOM 66 C GLU A 5 -19.387 2.709 -0.113 1.00 0.00 C ATOM 67 O GLU A 5 -18.382 3.344 0.205 1.00 0.00 O ATOM 68 CB GLU A 5 -21.621 3.834 -0.170 1.00 0.00 C ATOM 69 CG GLU A 5 -22.614 4.679 -0.951 1.00 0.00 C ATOM 70 CD GLU A 5 -23.485 5.534 -0.050 1.00 0.00 C ATOM 71 OE1 GLU A 5 -23.399 6.776 -0.148 1.00 0.00 O ATOM 72 OE2 GLU A 5 -24.249 4.962 0.755 1.00 0.00 O ATOM 0 H GLU A 5 -21.872 2.044 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.015 4.171 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.144 2.980 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.231 4.422 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.072 5.323 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.248 4.027 -1.551 1.00 0.00 H new ATOM 79 N LEU A 6 -19.619 1.464 0.294 1.00 0.00 N ATOM 80 CA LEU A 6 -18.680 0.752 1.150 1.00 0.00 C ATOM 81 C LEU A 6 -17.524 0.210 0.321 1.00 0.00 C ATOM 82 O LEU A 6 -16.495 -0.194 0.858 1.00 0.00 O ATOM 83 CB LEU A 6 -19.388 -0.400 1.872 1.00 0.00 C ATOM 84 CG LEU A 6 -18.631 -0.992 3.063 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.598 -1.347 4.182 1.00 0.00 C ATOM 86 CD2 LEU A 6 -17.844 -2.224 2.638 1.00 0.00 C ATOM 0 H LEU A 6 -20.450 0.929 0.044 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.290 1.447 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.359 -0.047 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.578 -1.196 1.152 1.00 0.00 H new ATOM 0 HG LEU A 6 -17.930 -0.243 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.044 -1.767 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.124 -0.449 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.320 -2.080 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.312 -2.631 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.529 -2.976 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.126 -1.949 1.865 1.00 0.00 H new ATOM 98 N GLY A 7 -17.698 0.223 -0.997 1.00 0.00 N ATOM 99 CA GLY A 7 -16.666 -0.274 -1.887 1.00 0.00 C ATOM 100 C GLY A 7 -15.421 0.588 -1.879 1.00 0.00 C ATOM 101 O GLY A 7 -14.312 0.080 -1.739 1.00 0.00 O ATOM 0 H GLY A 7 -18.536 0.569 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.401 -1.291 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.061 -0.325 -2.902 1.00 0.00 H new ATOM 105 N MET A 8 -15.604 1.896 -2.024 1.00 0.00 N ATOM 106 CA MET A 8 -14.480 2.826 -2.041 1.00 0.00 C ATOM 107 C MET A 8 -13.791 2.889 -0.682 1.00 0.00 C ATOM 108 O MET A 8 -12.566 2.844 -0.599 1.00 0.00 O ATOM 109 CB MET A 8 -14.954 4.223 -2.450 1.00 0.00 C ATOM 110 CG MET A 8 -15.598 4.267 -3.826 1.00 0.00 C ATOM 111 SD MET A 8 -14.454 3.802 -5.140 1.00 0.00 S ATOM 112 CE MET A 8 -15.521 3.898 -6.575 1.00 0.00 C ATOM 0 H MET A 8 -16.518 2.336 -2.131 1.00 0.00 H new ATOM 0 HA MET A 8 -13.758 2.462 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.669 4.586 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.104 4.905 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.457 3.597 -3.843 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.974 5.272 -4.015 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.954 3.637 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.353 3.203 -6.457 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.907 4.913 -6.674 1.00 0.00 H new ATOM 122 N ALA A 9 -14.582 2.996 0.380 1.00 0.00 N ATOM 123 CA ALA A 9 -14.039 3.068 1.732 1.00 0.00 C ATOM 124 C ALA A 9 -13.249 1.810 2.082 1.00 0.00 C ATOM 125 O ALA A 9 -12.145 1.888 2.621 1.00 0.00 O ATOM 126 CB ALA A 9 -15.160 3.283 2.737 1.00 0.00 C ATOM 0 H ALA A 9 -15.600 3.035 0.331 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.354 3.915 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.742 3.335 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.678 4.215 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.864 2.453 2.679 1.00 0.00 H new ATOM 132 N PHE A 10 -13.822 0.652 1.770 1.00 0.00 N ATOM 133 CA PHE A 10 -13.181 -0.629 2.054 1.00 0.00 C ATOM 134 C PHE A 10 -11.953 -0.848 1.171 1.00 0.00 C ATOM 135 O PHE A 10 -10.907 -1.282 1.653 1.00 0.00 O ATOM 136 CB PHE A 10 -14.188 -1.768 1.863 1.00 0.00 C ATOM 137 CG PHE A 10 -13.567 -3.134 1.769 1.00 0.00 C ATOM 138 CD1 PHE A 10 -12.686 -3.586 2.739 1.00 0.00 C ATOM 139 CD2 PHE A 10 -13.872 -3.965 0.705 1.00 0.00 C ATOM 140 CE1 PHE A 10 -12.121 -4.843 2.648 1.00 0.00 C ATOM 141 CE2 PHE A 10 -13.309 -5.223 0.608 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.432 -5.663 1.580 1.00 0.00 C ATOM 0 H PHE A 10 -14.733 0.574 1.318 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.843 -0.618 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.892 -1.758 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.763 -1.580 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.439 -2.948 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.558 -3.626 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.437 -5.185 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.555 -5.862 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.990 -6.646 1.506 1.00 0.00 H new ATOM 152 N TRP A 11 -12.084 -0.553 -0.119 1.00 0.00 N ATOM 153 CA TRP A 11 -10.976 -0.727 -1.052 1.00 0.00 C ATOM 154 C TRP A 11 -9.812 0.188 -0.699 1.00 0.00 C ATOM 155 O TRP A 11 -8.654 -0.224 -0.737 1.00 0.00 O ATOM 156 CB TRP A 11 -11.429 -0.464 -2.488 1.00 0.00 C ATOM 157 CG TRP A 11 -11.892 -1.700 -3.198 1.00 0.00 C ATOM 158 CD1 TRP A 11 -13.162 -1.985 -3.608 1.00 0.00 C ATOM 159 CD2 TRP A 11 -11.086 -2.822 -3.579 1.00 0.00 C ATOM 160 NE1 TRP A 11 -13.195 -3.213 -4.222 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.933 -3.747 -4.217 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.729 -3.133 -3.443 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.469 -4.960 -4.719 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -9.269 -4.338 -3.942 1.00 0.00 C ATOM 165 CH2 TRP A 11 -10.136 -5.238 -4.573 1.00 0.00 C ATOM 0 H TRP A 11 -12.941 -0.194 -0.540 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.639 -1.761 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.238 0.266 -2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.605 -0.020 -3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.016 -1.339 -3.470 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.024 -3.656 -4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.053 -2.445 -2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -12.136 -5.656 -5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.223 -4.589 -3.843 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.746 -6.171 -4.952 1.00 0.00 H new ATOM 176 N HIS A 12 -10.128 1.431 -0.360 1.00 0.00 N ATOM 177 CA HIS A 12 -9.110 2.408 0.005 1.00 0.00 C ATOM 178 C HIS A 12 -8.450 2.037 1.330 1.00 0.00 C ATOM 179 O HIS A 12 -7.238 2.180 1.491 1.00 0.00 O ATOM 180 CB HIS A 12 -9.724 3.806 0.095 1.00 0.00 C ATOM 181 CG HIS A 12 -10.052 4.401 -1.240 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.493 3.669 -2.320 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.998 5.691 -1.659 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.687 4.518 -3.339 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.401 5.757 -2.989 1.00 0.00 N ATOM 0 H HIS A 12 -11.083 1.787 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.345 2.407 -0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.632 3.757 0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.031 4.466 0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.691 6.533 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.033 4.225 -4.319 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.463 6.591 -3.573 1.00 0.00 H new ATOM 193 N ASP A 13 -9.256 1.564 2.275 1.00 0.00 N ATOM 194 CA ASP A 13 -8.750 1.179 3.588 1.00 0.00 C ATOM 195 C ASP A 13 -7.823 -0.028 3.487 1.00 0.00 C ATOM 196 O ASP A 13 -6.774 -0.065 4.127 1.00 0.00 O ATOM 197 CB ASP A 13 -9.911 0.866 4.533 1.00 0.00 C ATOM 198 CG ASP A 13 -9.441 0.489 5.925 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.163 1.406 6.727 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.354 -0.723 6.214 1.00 0.00 O ATOM 0 H ASP A 13 -10.261 1.438 2.156 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.179 2.018 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.567 1.734 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.502 0.049 4.119 1.00 0.00 H new ATOM 205 N LEU A 14 -8.217 -1.016 2.686 1.00 0.00 N ATOM 206 CA LEU A 14 -7.406 -2.215 2.503 1.00 0.00 C ATOM 207 C LEU A 14 -6.188 -1.915 1.641 1.00 0.00 C ATOM 208 O LEU A 14 -5.140 -2.537 1.793 1.00 0.00 O ATOM 209 CB LEU A 14 -8.238 -3.350 1.892 1.00 0.00 C ATOM 210 CG LEU A 14 -8.474 -3.276 0.384 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.340 -3.960 -0.363 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.809 -3.913 0.029 1.00 0.00 C ATOM 0 H LEU A 14 -9.089 -1.009 2.156 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.058 -2.541 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.744 -4.296 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.207 -3.371 2.390 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.500 -2.228 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.522 -3.899 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.398 -3.465 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.286 -5.007 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.965 -3.854 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.807 -4.958 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.612 -3.384 0.542 1.00 0.00 H new ATOM 224 N ALA A 15 -6.338 -0.957 0.732 1.00 0.00 N ATOM 225 CA ALA A 15 -5.256 -0.572 -0.165 1.00 0.00 C ATOM 226 C ALA A 15 -4.142 0.156 0.578 1.00 0.00 C ATOM 227 O ALA A 15 -2.971 0.018 0.235 1.00 0.00 O ATOM 228 CB ALA A 15 -5.788 0.294 -1.295 1.00 0.00 C ATOM 0 H ALA A 15 -7.202 -0.432 0.598 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.834 -1.485 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.968 0.573 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.536 -0.263 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.243 1.194 -0.881 1.00 0.00 H new ATOM 234 N ALA A 16 -4.513 0.939 1.586 1.00 0.00 N ATOM 235 CA ALA A 16 -3.537 1.698 2.364 1.00 0.00 C ATOM 236 C ALA A 16 -2.359 0.823 2.817 1.00 0.00 C ATOM 237 O ALA A 16 -1.206 1.152 2.539 1.00 0.00 O ATOM 238 CB ALA A 16 -4.210 2.374 3.552 1.00 0.00 C ATOM 0 H ALA A 16 -5.480 1.065 1.884 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.126 2.471 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.468 2.935 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.983 3.054 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.662 1.617 4.193 1.00 0.00 H new ATOM 244 N PRO A 17 -2.619 -0.304 3.521 1.00 0.00 N ATOM 245 CA PRO A 17 -1.553 -1.200 3.986 1.00 0.00 C ATOM 246 C PRO A 17 -0.923 -2.001 2.849 1.00 0.00 C ATOM 247 O PRO A 17 0.237 -2.404 2.930 1.00 0.00 O ATOM 248 CB PRO A 17 -2.276 -2.137 4.955 1.00 0.00 C ATOM 249 CG PRO A 17 -3.687 -2.155 4.487 1.00 0.00 C ATOM 250 CD PRO A 17 -3.955 -0.786 3.929 1.00 0.00 C ATOM 0 HA PRO A 17 -0.728 -0.647 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.841 -3.136 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.204 -1.776 5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.836 -2.922 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.368 -2.382 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.641 -0.826 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.406 -0.131 4.675 1.00 0.00 H new ATOM 258 N VAL A 18 -1.695 -2.228 1.790 1.00 0.00 N ATOM 259 CA VAL A 18 -1.214 -2.984 0.638 1.00 0.00 C ATOM 260 C VAL A 18 -0.137 -2.207 -0.113 1.00 0.00 C ATOM 261 O VAL A 18 0.918 -2.747 -0.446 1.00 0.00 O ATOM 262 CB VAL A 18 -2.371 -3.319 -0.329 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.843 -3.875 -1.644 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.337 -4.301 0.318 1.00 0.00 C ATOM 0 H VAL A 18 -2.657 -1.899 1.706 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.787 -3.913 1.015 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.908 -2.396 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.679 -4.102 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.196 -3.137 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.275 -4.785 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.146 -4.526 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.808 -5.220 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.750 -3.861 1.226 1.00 0.00 H new ATOM 274 N ILE A 19 -0.415 -0.936 -0.372 1.00 0.00 N ATOM 275 CA ILE A 19 0.514 -0.070 -1.084 1.00 0.00 C ATOM 276 C ILE A 19 1.734 0.253 -0.227 1.00 0.00 C ATOM 277 O ILE A 19 2.871 0.151 -0.685 1.00 0.00 O ATOM 278 CB ILE A 19 -0.176 1.242 -1.504 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.406 0.936 -2.361 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.793 2.143 -2.258 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.425 2.054 -2.380 1.00 0.00 C ATOM 0 H ILE A 19 -1.284 -0.479 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 19 0.842 -0.606 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.497 1.770 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.085 0.731 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.881 0.029 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.285 3.064 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.642 2.381 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.146 1.630 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.269 1.766 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.775 2.244 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.966 2.958 -2.781 1.00 0.00 H new ATOM 293 N ALA A 20 1.486 0.643 1.020 1.00 0.00 N ATOM 294 CA ALA A 20 2.560 0.983 1.946 1.00 0.00 C ATOM 295 C ALA A 20 3.488 -0.205 2.175 1.00 0.00 C ATOM 296 O ALA A 20 4.698 -0.038 2.332 1.00 0.00 O ATOM 297 CB ALA A 20 1.979 1.462 3.268 1.00 0.00 C ATOM 0 H ALA A 20 0.549 0.731 1.412 1.00 0.00 H new ATOM 0 HA ALA A 20 3.148 1.787 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.790 1.713 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.363 2.344 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.368 0.672 3.704 1.00 0.00 H new ATOM 303 N GLY A 21 2.913 -1.404 2.193 1.00 0.00 N ATOM 304 CA GLY A 21 3.703 -2.603 2.401 1.00 0.00 C ATOM 305 C GLY A 21 4.670 -2.862 1.263 1.00 0.00 C ATOM 306 O GLY A 21 5.839 -3.174 1.492 1.00 0.00 O ATOM 0 H GLY A 21 1.914 -1.566 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.260 -2.511 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.037 -3.459 2.511 1.00 0.00 H new ATOM 310 N ILE A 22 4.182 -2.733 0.034 1.00 0.00 N ATOM 311 CA ILE A 22 5.011 -2.950 -1.145 1.00 0.00 C ATOM 312 C ILE A 22 6.074 -1.864 -1.265 1.00 0.00 C ATOM 313 O ILE A 22 7.216 -2.135 -1.637 1.00 0.00 O ATOM 314 CB ILE A 22 4.162 -2.972 -2.432 1.00 0.00 C ATOM 315 CG1 ILE A 22 3.090 -4.060 -2.338 1.00 0.00 C ATOM 316 CG2 ILE A 22 5.047 -3.196 -3.652 1.00 0.00 C ATOM 317 CD1 ILE A 22 2.050 -3.984 -3.435 1.00 0.00 C ATOM 0 H ILE A 22 3.216 -2.479 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 22 5.494 -3.920 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 22 3.669 -2.006 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.572 -5.037 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.592 -3.985 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.431 -3.209 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.778 -2.391 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.566 -4.149 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.323 -4.786 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.541 -3.021 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.536 -4.090 -4.405 1.00 0.00 H new ATOM 329 N LEU A 23 5.690 -0.634 -0.942 1.00 0.00 N ATOM 330 CA LEU A 23 6.605 0.497 -1.011 1.00 0.00 C ATOM 331 C LEU A 23 7.724 0.353 0.014 1.00 0.00 C ATOM 332 O LEU A 23 8.875 0.689 -0.260 1.00 0.00 O ATOM 333 CB LEU A 23 5.848 1.808 -0.784 1.00 0.00 C ATOM 334 CG LEU A 23 6.726 3.058 -0.672 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.547 3.254 -1.939 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.873 4.286 -0.396 1.00 0.00 C ATOM 0 H LEU A 23 4.749 -0.395 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 23 7.050 0.514 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.145 1.950 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.258 1.715 0.128 1.00 0.00 H new ATOM 0 HG LEU A 23 7.413 2.919 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.164 4.147 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.188 2.386 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.878 3.369 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.514 5.164 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.162 4.425 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.331 4.150 0.540 1.00 0.00 H new ATOM 348 N ALA A 24 7.378 -0.151 1.193 1.00 0.00 N ATOM 349 CA ALA A 24 8.352 -0.340 2.260 1.00 0.00 C ATOM 350 C ALA A 24 9.471 -1.279 1.823 1.00 0.00 C ATOM 351 O ALA A 24 10.644 -1.026 2.089 1.00 0.00 O ATOM 352 CB ALA A 24 7.669 -0.874 3.509 1.00 0.00 C ATOM 0 H ALA A 24 6.429 -0.436 1.434 1.00 0.00 H new ATOM 0 HA ALA A 24 8.796 0.629 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.409 -1.010 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.911 -0.164 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.197 -1.831 3.285 1.00 0.00 H new ATOM 358 N SER A 25 9.101 -2.361 1.145 1.00 0.00 N ATOM 359 CA SER A 25 10.076 -3.338 0.675 1.00 0.00 C ATOM 360 C SER A 25 10.999 -2.734 -0.378 1.00 0.00 C ATOM 361 O SER A 25 12.192 -3.031 -0.410 1.00 0.00 O ATOM 362 CB SER A 25 9.366 -4.567 0.106 1.00 0.00 C ATOM 363 OG SER A 25 8.571 -5.199 1.094 1.00 0.00 O ATOM 0 H SER A 25 8.134 -2.583 0.909 1.00 0.00 H new ATOM 0 HA SER A 25 10.684 -3.640 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.739 -4.272 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.104 -5.272 -0.278 1.00 0.00 H new ATOM 0 HG SER A 25 8.126 -5.981 0.705 1.00 0.00 H new ATOM 369 N MET A 26 10.442 -1.885 -1.236 1.00 0.00 N ATOM 370 CA MET A 26 11.226 -1.245 -2.286 1.00 0.00 C ATOM 371 C MET A 26 12.243 -0.276 -1.690 1.00 0.00 C ATOM 372 O MET A 26 13.389 -0.215 -2.134 1.00 0.00 O ATOM 373 CB MET A 26 10.311 -0.510 -3.268 1.00 0.00 C ATOM 374 CG MET A 26 9.404 -1.437 -4.061 1.00 0.00 C ATOM 375 SD MET A 26 8.580 -0.604 -5.432 1.00 0.00 S ATOM 376 CE MET A 26 7.559 0.577 -4.554 1.00 0.00 C ATOM 0 H MET A 26 9.456 -1.625 -1.225 1.00 0.00 H new ATOM 0 HA MET A 26 11.766 -2.023 -2.825 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.697 0.202 -2.717 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.923 0.067 -3.961 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.992 -2.269 -4.448 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.652 -1.860 -3.395 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.126 1.282 -5.264 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.760 0.050 -4.032 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.169 1.119 -3.831 1.00 0.00 H new ATOM 386 N ILE A 27 11.816 0.477 -0.681 1.00 0.00 N ATOM 387 CA ILE A 27 12.691 1.439 -0.022 1.00 0.00 C ATOM 388 C ILE A 27 13.845 0.730 0.683 1.00 0.00 C ATOM 389 O ILE A 27 14.992 1.173 0.616 1.00 0.00 O ATOM 390 CB ILE A 27 11.916 2.292 1.004 1.00 0.00 C ATOM 391 CG1 ILE A 27 10.810 3.087 0.305 1.00 0.00 C ATOM 392 CG2 ILE A 27 12.862 3.228 1.746 1.00 0.00 C ATOM 393 CD1 ILE A 27 9.865 3.785 1.261 1.00 0.00 C ATOM 0 H ILE A 27 10.870 0.439 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 27 13.089 2.095 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 27 11.456 1.625 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.267 3.831 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.237 2.413 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.297 3.821 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.616 2.642 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.351 3.892 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.109 4.328 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.380 3.045 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.426 4.485 1.880 1.00 0.00 H new ATOM 405 N VAL A 28 13.533 -0.374 1.355 1.00 0.00 N ATOM 406 CA VAL A 28 14.542 -1.146 2.071 1.00 0.00 C ATOM 407 C VAL A 28 15.521 -1.804 1.102 1.00 0.00 C ATOM 408 O VAL A 28 16.724 -1.844 1.357 1.00 0.00 O ATOM 409 CB VAL A 28 13.895 -2.227 2.960 1.00 0.00 C ATOM 410 CG1 VAL A 28 14.959 -3.081 3.634 1.00 0.00 C ATOM 411 CG2 VAL A 28 12.985 -1.587 3.997 1.00 0.00 C ATOM 0 H VAL A 28 12.589 -0.754 1.418 1.00 0.00 H new ATOM 0 HA VAL A 28 15.086 -0.448 2.707 1.00 0.00 H new ATOM 0 HB VAL A 28 13.292 -2.876 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.479 -3.837 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.568 -3.570 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.593 -2.449 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.536 -2.364 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.567 -0.913 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.198 -1.025 3.494 1.00 0.00 H new ATOM 421 N ASN A 29 15.001 -2.318 -0.010 1.00 0.00 N ATOM 422 CA ASN A 29 15.838 -2.965 -1.016 1.00 0.00 C ATOM 423 C ASN A 29 16.896 -1.999 -1.538 1.00 0.00 C ATOM 424 O ASN A 29 18.072 -2.348 -1.650 1.00 0.00 O ATOM 425 CB ASN A 29 14.981 -3.478 -2.176 1.00 0.00 C ATOM 426 CG ASN A 29 14.135 -4.677 -1.794 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.046 -4.877 -2.331 1.00 0.00 O ATOM 428 ND2 ASN A 29 14.633 -5.484 -0.864 1.00 0.00 N ATOM 0 H ASN A 29 14.007 -2.299 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 29 16.339 -3.811 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.330 -2.676 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.629 -3.747 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.108 -6.307 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.540 -5.280 -0.445 1.00 0.00 H new ATOM 435 N TRP A 30 16.465 -0.783 -1.856 1.00 0.00 N ATOM 436 CA TRP A 30 17.365 0.247 -2.362 1.00 0.00 C ATOM 437 C TRP A 30 18.411 0.616 -1.312 1.00 0.00 C ATOM 438 O TRP A 30 19.595 0.746 -1.622 1.00 0.00 O ATOM 439 CB TRP A 30 16.556 1.482 -2.779 1.00 0.00 C ATOM 440 CG TRP A 30 17.324 2.767 -2.715 1.00 0.00 C ATOM 441 CD1 TRP A 30 18.398 3.125 -3.480 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.070 3.868 -1.836 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.828 4.382 -3.127 1.00 0.00 N ATOM 444 CE2 TRP A 30 18.028 4.859 -2.120 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.124 4.111 -0.835 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.067 6.073 -1.438 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.163 5.316 -0.160 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.129 6.284 -0.464 1.00 0.00 C ATOM 0 H TRP A 30 15.493 -0.486 -1.772 1.00 0.00 H new ATOM 0 HA TRP A 30 17.891 -0.142 -3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 30 16.193 1.339 -3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.679 1.563 -2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.843 2.511 -4.249 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.614 4.879 -3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.376 3.370 -0.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 18.811 6.821 -1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.437 5.515 0.614 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.134 7.216 0.082 1.00 0.00 H new ATOM 459 N LEU A 31 17.964 0.785 -0.072 1.00 0.00 N ATOM 460 CA LEU A 31 18.861 1.135 1.023 1.00 0.00 C ATOM 461 C LEU A 31 19.884 0.033 1.267 1.00 0.00 C ATOM 462 O LEU A 31 21.013 0.301 1.678 1.00 0.00 O ATOM 463 CB LEU A 31 18.061 1.402 2.295 1.00 0.00 C ATOM 464 CG LEU A 31 17.362 2.758 2.327 1.00 0.00 C ATOM 465 CD1 LEU A 31 16.350 2.806 3.457 1.00 0.00 C ATOM 466 CD2 LEU A 31 18.380 3.878 2.475 1.00 0.00 C ATOM 0 H LEU A 31 16.986 0.685 0.200 1.00 0.00 H new ATOM 0 HA LEU A 31 19.399 2.041 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.312 0.618 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.731 1.332 3.152 1.00 0.00 H new ATOM 0 HG LEU A 31 16.833 2.896 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.860 3.780 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.603 2.026 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 31 16.859 2.647 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 31 17.864 4.838 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.936 3.744 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.071 3.856 1.632 1.00 0.00 H new ATOM 478 N ASN A 32 19.483 -1.208 1.011 1.00 0.00 N ATOM 479 CA ASN A 32 20.370 -2.350 1.194 1.00 0.00 C ATOM 480 C ASN A 32 21.463 -2.350 0.133 1.00 0.00 C ATOM 481 O ASN A 32 22.467 -3.052 0.257 1.00 0.00 O ATOM 482 CB ASN A 32 19.579 -3.657 1.134 1.00 0.00 C ATOM 483 CG ASN A 32 18.822 -3.943 2.418 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.596 -5.100 2.772 1.00 0.00 O ATOM 485 ND2 ASN A 32 18.428 -2.890 3.127 1.00 0.00 N ATOM 0 H ASN A 32 18.550 -1.448 0.676 1.00 0.00 H new ATOM 0 HA ASN A 32 20.836 -2.269 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.874 -3.613 0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.262 -4.481 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.918 -3.025 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.636 -1.947 2.798 1.00 0.00 H new ATOM 492 N LYS A 33 21.255 -1.554 -0.912 1.00 0.00 N ATOM 493 CA LYS A 33 22.215 -1.448 -2.003 1.00 0.00 C ATOM 494 C LYS A 33 23.213 -0.327 -1.726 1.00 0.00 C ATOM 495 O LYS A 33 24.399 -0.445 -2.035 1.00 0.00 O ATOM 496 CB LYS A 33 21.482 -1.194 -3.324 1.00 0.00 C ATOM 497 CG LYS A 33 22.372 -1.283 -4.555 1.00 0.00 C ATOM 498 CD LYS A 33 23.012 0.057 -4.883 1.00 0.00 C ATOM 499 CE LYS A 33 23.794 -0.004 -6.185 1.00 0.00 C ATOM 500 NZ LYS A 33 24.400 1.312 -6.533 1.00 0.00 N ATOM 0 H LYS A 33 20.426 -0.971 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 33 22.763 -2.387 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.671 -1.916 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.026 -0.205 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.151 -2.027 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.783 -1.623 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.239 0.822 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.677 0.352 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.580 -0.755 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.133 -0.323 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.924 1.227 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.649 2.023 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.051 1.605 -5.777 1.00 0.00 H new ATOM 514 N ARG A 34 22.721 0.761 -1.137 1.00 0.00 N ATOM 515 CA ARG A 34 23.566 1.905 -0.812 1.00 0.00 C ATOM 516 C ARG A 34 24.090 1.805 0.617 1.00 0.00 C ATOM 517 O ARG A 34 24.902 2.624 1.049 1.00 0.00 O ATOM 518 CB ARG A 34 22.790 3.212 -0.994 1.00 0.00 C ATOM 519 CG ARG A 34 21.634 3.385 -0.020 1.00 0.00 C ATOM 520 CD ARG A 34 21.063 4.791 -0.088 1.00 0.00 C ATOM 521 NE ARG A 34 22.091 5.806 0.130 1.00 0.00 N ATOM 522 CZ ARG A 34 21.827 7.075 0.428 1.00 0.00 C ATOM 523 NH1 ARG A 34 20.571 7.485 0.549 1.00 0.00 N ATOM 524 NH2 ARG A 34 22.821 7.934 0.606 1.00 0.00 N ATOM 0 H ARG A 34 21.741 0.873 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 34 24.417 1.900 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 34 23.477 4.050 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 34 22.403 3.255 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 34 20.852 2.661 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.975 3.177 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.598 4.948 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.279 4.901 0.661 1.00 0.00 H new ATOM 0 HE ARG A 34 23.068 5.525 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 34 19.804 6.826 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.372 8.459 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.788 7.622 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 34 22.619 8.907 0.835 1.00 0.00 H new ATOM 538 N LYS A 35 23.617 0.795 1.344 1.00 0.00 N ATOM 539 CA LYS A 35 24.031 0.576 2.728 1.00 0.00 C ATOM 540 C LYS A 35 23.757 1.810 3.584 1.00 0.00 C ATOM 541 O LYS A 35 22.629 1.926 4.107 1.00 0.00 O ATOM 542 CB LYS A 35 25.518 0.207 2.795 1.00 0.00 C ATOM 543 CG LYS A 35 25.832 -1.187 2.271 1.00 0.00 C ATOM 544 CD LYS A 35 25.694 -1.267 0.759 1.00 0.00 C ATOM 545 CE LYS A 35 26.014 -2.661 0.244 1.00 0.00 C ATOM 546 NZ LYS A 35 25.843 -2.762 -1.231 1.00 0.00 N ATOM 547 OXT LYS A 35 24.673 2.648 3.726 1.00 0.00 O ATOM 0 H LYS A 35 22.944 0.113 0.996 1.00 0.00 H new ATOM 0 HA LYS A 35 23.445 -0.253 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.090 0.937 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 25.854 0.280 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.847 -1.463 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 35 25.161 -1.910 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.679 -0.995 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 35 26.362 -0.543 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 35 27.039 -2.919 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 35 25.366 -3.387 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.316 -3.628 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 25.317 -1.934 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 26.777 -2.794 -1.687 1.00 0.00 H new TER 561 LYS A 35