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 136:sc= -0.198 (180deg=-0.898) USER MOD Single : A 1 MET N :NH3+ 137:sc= -0.026 (180deg=-0.31) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 177:sc= -1.61 (180deg=-1.65) USER MOD Single : A 29 ASN : amide:sc= -7.71! C(o=-7.7!,f=-15!) USER MOD Single : A 32 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.8!) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -2.1! (180deg=-2.13!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.127 -2.361 -1.662 1.00 0.00 N ATOM 2 CA MET A 1 26.033 -1.363 -1.793 1.00 0.00 C ATOM 3 C MET A 1 25.545 -0.906 -0.422 1.00 0.00 C ATOM 4 O MET A 1 25.522 -1.684 0.531 1.00 0.00 O ATOM 5 CB MET A 1 24.870 -1.958 -2.589 1.00 0.00 C ATOM 6 CG MET A 1 24.250 -3.185 -1.939 1.00 0.00 C ATOM 7 SD MET A 1 23.004 -3.968 -2.981 1.00 0.00 S ATOM 8 CE MET A 1 23.999 -4.465 -4.384 1.00 0.00 C ATOM 0 H1 MET A 1 26.975 -3.134 -2.342 1.00 0.00 H new ATOM 0 H2 MET A 1 28.040 -1.903 -1.857 1.00 0.00 H new ATOM 0 H3 MET A 1 27.132 -2.746 -0.696 1.00 0.00 H new ATOM 0 HA MET A 1 26.425 -0.496 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.100 -1.197 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.222 -2.224 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.035 -3.907 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.797 -2.899 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.733 -5.480 -4.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.817 -3.787 -5.218 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.054 -4.431 -4.112 1.00 0.00 H new ATOM 20 N THR A 2 25.156 0.361 -0.334 1.00 0.00 N ATOM 21 CA THR A 2 24.671 0.928 0.919 1.00 0.00 C ATOM 22 C THR A 2 23.247 0.484 1.217 1.00 0.00 C ATOM 23 O THR A 2 22.353 0.624 0.382 1.00 0.00 O ATOM 24 CB THR A 2 24.716 2.466 0.895 1.00 0.00 C ATOM 25 OG1 THR A 2 25.146 2.925 -0.392 1.00 0.00 O ATOM 26 CG2 THR A 2 25.652 3.000 1.968 1.00 0.00 C ATOM 0 H THR A 2 25.167 1.016 -1.116 1.00 0.00 H new ATOM 0 HA THR A 2 25.334 0.560 1.702 1.00 0.00 H new ATOM 0 HB THR A 2 23.711 2.838 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 2 25.170 3.905 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.666 4.089 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 2 25.304 2.676 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 2 26.658 2.618 1.796 1.00 0.00 H new ATOM 34 N PHE A 3 23.045 -0.053 2.415 1.00 0.00 N ATOM 35 CA PHE A 3 21.730 -0.514 2.836 1.00 0.00 C ATOM 36 C PHE A 3 20.751 0.651 2.916 1.00 0.00 C ATOM 37 O PHE A 3 19.562 0.493 2.645 1.00 0.00 O ATOM 38 CB PHE A 3 21.824 -1.212 4.192 1.00 0.00 C ATOM 39 CG PHE A 3 20.727 -2.208 4.421 1.00 0.00 C ATOM 40 CD1 PHE A 3 20.615 -3.320 3.605 1.00 0.00 C ATOM 41 CD2 PHE A 3 19.812 -2.035 5.446 1.00 0.00 C ATOM 42 CE1 PHE A 3 19.608 -4.244 3.805 1.00 0.00 C ATOM 43 CE2 PHE A 3 18.802 -2.955 5.652 1.00 0.00 C ATOM 44 CZ PHE A 3 18.700 -4.062 4.831 1.00 0.00 C ATOM 0 H PHE A 3 23.778 -0.179 3.113 1.00 0.00 H new ATOM 0 HA PHE A 3 21.363 -1.225 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 3 22.787 -1.718 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 3 21.796 -0.462 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.323 -3.467 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.889 -1.172 6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.530 -5.107 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.093 -2.809 6.454 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.912 -4.783 4.991 1.00 0.00 H new ATOM 54 N ALA A 4 21.261 1.819 3.295 1.00 0.00 N ATOM 55 CA ALA A 4 20.435 3.014 3.407 1.00 0.00 C ATOM 56 C ALA A 4 19.912 3.439 2.041 1.00 0.00 C ATOM 57 O ALA A 4 18.768 3.877 1.910 1.00 0.00 O ATOM 58 CB ALA A 4 21.224 4.145 4.050 1.00 0.00 C ATOM 0 H ALA A 4 22.243 1.962 3.530 1.00 0.00 H new ATOM 0 HA ALA A 4 19.580 2.781 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.593 5.031 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.548 3.843 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.097 4.373 3.439 1.00 0.00 H new ATOM 64 N GLU A 5 20.760 3.309 1.025 1.00 0.00 N ATOM 65 CA GLU A 5 20.385 3.669 -0.337 1.00 0.00 C ATOM 66 C GLU A 5 19.351 2.693 -0.884 1.00 0.00 C ATOM 67 O GLU A 5 18.366 3.098 -1.503 1.00 0.00 O ATOM 68 CB GLU A 5 21.617 3.685 -1.243 1.00 0.00 C ATOM 69 CG GLU A 5 22.634 4.751 -0.871 1.00 0.00 C ATOM 70 CD GLU A 5 22.061 6.153 -0.944 1.00 0.00 C ATOM 71 OE1 GLU A 5 21.518 6.627 0.077 1.00 0.00 O ATOM 72 OE2 GLU A 5 22.157 6.778 -2.021 1.00 0.00 O ATOM 0 H GLU A 5 21.712 2.957 1.120 1.00 0.00 H new ATOM 0 HA GLU A 5 19.948 4.667 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.098 2.708 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.298 3.843 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.999 4.564 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.492 4.678 -1.539 1.00 0.00 H new ATOM 79 N LEU A 6 19.580 1.405 -0.651 1.00 0.00 N ATOM 80 CA LEU A 6 18.663 0.373 -1.118 1.00 0.00 C ATOM 81 C LEU A 6 17.462 0.267 -0.186 1.00 0.00 C ATOM 82 O LEU A 6 16.455 -0.348 -0.525 1.00 0.00 O ATOM 83 CB LEU A 6 19.382 -0.977 -1.200 1.00 0.00 C ATOM 84 CG LEU A 6 18.715 -2.021 -2.100 1.00 0.00 C ATOM 85 CD1 LEU A 6 19.767 -2.830 -2.842 1.00 0.00 C ATOM 86 CD2 LEU A 6 17.824 -2.944 -1.282 1.00 0.00 C ATOM 0 H LEU A 6 20.391 1.052 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 6 18.312 0.648 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.397 -0.808 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.464 -1.388 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 6 18.095 -1.498 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.277 -3.568 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.371 -2.164 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.408 -3.339 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.359 -3.678 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.424 -3.458 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.049 -2.358 -0.788 1.00 0.00 H new ATOM 98 N GLY A 7 17.571 0.890 0.983 1.00 0.00 N ATOM 99 CA GLY A 7 16.490 0.849 1.950 1.00 0.00 C ATOM 100 C GLY A 7 15.269 1.625 1.501 1.00 0.00 C ATOM 101 O GLY A 7 14.147 1.134 1.600 1.00 0.00 O ATOM 0 H GLY A 7 18.389 1.423 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.209 -0.189 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.842 1.253 2.899 1.00 0.00 H new ATOM 105 N MET A 8 15.487 2.839 1.007 1.00 0.00 N ATOM 106 CA MET A 8 14.390 3.684 0.548 1.00 0.00 C ATOM 107 C MET A 8 13.766 3.134 -0.731 1.00 0.00 C ATOM 108 O MET A 8 12.545 3.080 -0.858 1.00 0.00 O ATOM 109 CB MET A 8 14.881 5.115 0.320 1.00 0.00 C ATOM 110 CG MET A 8 15.343 5.807 1.592 1.00 0.00 C ATOM 111 SD MET A 8 14.036 5.931 2.829 1.00 0.00 S ATOM 112 CE MET A 8 14.921 6.692 4.188 1.00 0.00 C ATOM 0 H MET A 8 16.412 3.260 0.914 1.00 0.00 H new ATOM 0 HA MET A 8 13.624 3.689 1.324 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.704 5.099 -0.395 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.078 5.699 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.186 5.259 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.702 6.807 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.243 6.833 5.030 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.746 6.048 4.491 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.313 7.659 3.871 1.00 0.00 H new ATOM 122 N ALA A 9 14.609 2.729 -1.674 1.00 0.00 N ATOM 123 CA ALA A 9 14.133 2.183 -2.941 1.00 0.00 C ATOM 124 C ALA A 9 13.344 0.896 -2.725 1.00 0.00 C ATOM 125 O ALA A 9 12.281 0.700 -3.314 1.00 0.00 O ATOM 126 CB ALA A 9 15.304 1.931 -3.879 1.00 0.00 C ATOM 0 H ALA A 9 15.624 2.768 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 9 13.466 2.916 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.935 1.524 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.826 2.869 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.991 1.220 -3.420 1.00 0.00 H new ATOM 132 N PHE A 10 13.876 0.023 -1.877 1.00 0.00 N ATOM 133 CA PHE A 10 13.233 -1.252 -1.577 1.00 0.00 C ATOM 134 C PHE A 10 11.948 -1.050 -0.778 1.00 0.00 C ATOM 135 O PHE A 10 10.934 -1.689 -1.055 1.00 0.00 O ATOM 136 CB PHE A 10 14.205 -2.158 -0.814 1.00 0.00 C ATOM 137 CG PHE A 10 13.563 -3.349 -0.164 1.00 0.00 C ATOM 138 CD1 PHE A 10 12.803 -4.239 -0.904 1.00 0.00 C ATOM 139 CD2 PHE A 10 13.728 -3.577 1.192 1.00 0.00 C ATOM 140 CE1 PHE A 10 12.217 -5.336 -0.301 1.00 0.00 C ATOM 141 CE2 PHE A 10 13.146 -4.671 1.801 1.00 0.00 C ATOM 142 CZ PHE A 10 12.388 -5.552 1.053 1.00 0.00 C ATOM 0 H PHE A 10 14.755 0.176 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 10 12.964 -1.731 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.975 -2.506 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.707 -1.568 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.667 -4.074 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.319 -2.891 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.626 -6.024 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.283 -4.838 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.930 -6.408 1.526 1.00 0.00 H new ATOM 152 N TRP A 11 11.993 -0.166 0.216 1.00 0.00 N ATOM 153 CA TRP A 11 10.819 0.105 1.042 1.00 0.00 C ATOM 154 C TRP A 11 9.704 0.738 0.220 1.00 0.00 C ATOM 155 O TRP A 11 8.536 0.377 0.361 1.00 0.00 O ATOM 156 CB TRP A 11 11.179 1.014 2.218 1.00 0.00 C ATOM 157 CG TRP A 11 11.437 0.260 3.485 1.00 0.00 C ATOM 158 CD1 TRP A 11 12.617 0.175 4.167 1.00 0.00 C ATOM 159 CD2 TRP A 11 10.491 -0.524 4.220 1.00 0.00 C ATOM 160 NE1 TRP A 11 12.460 -0.609 5.284 1.00 0.00 N ATOM 161 CE2 TRP A 11 11.164 -1.050 5.339 1.00 0.00 C ATOM 162 CE3 TRP A 11 9.139 -0.830 4.041 1.00 0.00 C ATOM 163 CZ2 TRP A 11 10.529 -1.864 6.273 1.00 0.00 C ATOM 164 CZ3 TRP A 11 8.510 -1.638 4.969 1.00 0.00 C ATOM 165 CH2 TRP A 11 9.205 -2.147 6.074 1.00 0.00 C ATOM 0 H TRP A 11 12.823 0.371 0.468 1.00 0.00 H new ATOM 0 HA TRP A 11 10.464 -0.849 1.431 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.064 1.596 1.962 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.368 1.723 2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.539 0.654 3.871 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.190 -0.827 5.962 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.595 -0.442 3.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.063 -2.258 7.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.466 -1.881 4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.686 -2.775 6.783 1.00 0.00 H new ATOM 176 N HIS A 12 10.071 1.682 -0.636 1.00 0.00 N ATOM 177 CA HIS A 12 9.103 2.366 -1.484 1.00 0.00 C ATOM 178 C HIS A 12 8.516 1.411 -2.518 1.00 0.00 C ATOM 179 O HIS A 12 7.321 1.453 -2.808 1.00 0.00 O ATOM 180 CB HIS A 12 9.759 3.561 -2.182 1.00 0.00 C ATOM 181 CG HIS A 12 10.068 4.701 -1.260 1.00 0.00 C ATOM 182 ND1 HIS A 12 10.286 4.558 0.092 1.00 0.00 N ATOM 183 CD2 HIS A 12 10.197 6.026 -1.522 1.00 0.00 C ATOM 184 CE1 HIS A 12 10.536 5.773 0.599 1.00 0.00 C ATOM 185 NE2 HIS A 12 10.493 6.699 -0.340 1.00 0.00 N ATOM 0 H HIS A 12 11.034 1.992 -0.762 1.00 0.00 H new ATOM 0 HA HIS A 12 8.292 2.727 -0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.682 3.230 -2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.100 3.915 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.087 6.485 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.745 5.969 1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.645 7.701 -0.224 1.00 0.00 H new ATOM 193 N ASP A 13 9.367 0.549 -3.070 1.00 0.00 N ATOM 194 CA ASP A 13 8.938 -0.412 -4.079 1.00 0.00 C ATOM 195 C ASP A 13 8.020 -1.478 -3.484 1.00 0.00 C ATOM 196 O ASP A 13 7.015 -1.844 -4.091 1.00 0.00 O ATOM 197 CB ASP A 13 10.155 -1.075 -4.727 1.00 0.00 C ATOM 198 CG ASP A 13 9.768 -2.140 -5.735 1.00 0.00 C ATOM 199 OD1 ASP A 13 9.865 -3.339 -5.398 1.00 0.00 O ATOM 200 OD2 ASP A 13 9.367 -1.775 -6.860 1.00 0.00 O ATOM 0 H ASP A 13 10.358 0.498 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 13 8.375 0.132 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.759 -0.314 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.777 -1.522 -3.952 1.00 0.00 H new ATOM 205 N LEU A 14 8.371 -1.978 -2.301 1.00 0.00 N ATOM 206 CA LEU A 14 7.567 -3.003 -1.639 1.00 0.00 C ATOM 207 C LEU A 14 6.279 -2.412 -1.080 1.00 0.00 C ATOM 208 O LEU A 14 5.260 -3.094 -1.001 1.00 0.00 O ATOM 209 CB LEU A 14 8.369 -3.696 -0.529 1.00 0.00 C ATOM 210 CG LEU A 14 8.484 -2.936 0.792 1.00 0.00 C ATOM 211 CD1 LEU A 14 7.306 -3.263 1.696 1.00 0.00 C ATOM 212 CD2 LEU A 14 9.796 -3.275 1.482 1.00 0.00 C ATOM 0 H LEU A 14 9.202 -1.692 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 14 7.301 -3.751 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.911 -4.665 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.375 -3.890 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 14 8.469 -1.867 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.403 -2.714 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.378 -2.977 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.292 -4.333 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.865 -2.727 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.836 -4.346 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.629 -2.996 0.837 1.00 0.00 H new ATOM 224 N ALA A 15 6.334 -1.144 -0.690 1.00 0.00 N ATOM 225 CA ALA A 15 5.174 -0.464 -0.127 1.00 0.00 C ATOM 226 C ALA A 15 4.102 -0.213 -1.181 1.00 0.00 C ATOM 227 O ALA A 15 2.912 -0.257 -0.883 1.00 0.00 O ATOM 228 CB ALA A 15 5.589 0.844 0.526 1.00 0.00 C ATOM 0 H ALA A 15 7.171 -0.565 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 15 4.746 -1.119 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.711 1.338 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.303 0.642 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.052 1.492 -0.219 1.00 0.00 H new ATOM 234 N ALA A 16 4.531 0.061 -2.410 1.00 0.00 N ATOM 235 CA ALA A 16 3.603 0.333 -3.505 1.00 0.00 C ATOM 236 C ALA A 16 2.482 -0.716 -3.582 1.00 0.00 C ATOM 237 O ALA A 16 1.304 -0.359 -3.553 1.00 0.00 O ATOM 238 CB ALA A 16 4.358 0.435 -4.825 1.00 0.00 C ATOM 0 H ALA A 16 5.516 0.101 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 16 3.123 1.291 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.654 0.638 -5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.086 1.244 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.875 -0.504 -5.022 1.00 0.00 H new ATOM 244 N PRO A 17 2.819 -2.022 -3.680 1.00 0.00 N ATOM 245 CA PRO A 17 1.811 -3.090 -3.751 1.00 0.00 C ATOM 246 C PRO A 17 1.107 -3.321 -2.415 1.00 0.00 C ATOM 247 O PRO A 17 -0.030 -3.793 -2.375 1.00 0.00 O ATOM 248 CB PRO A 17 2.631 -4.323 -4.131 1.00 0.00 C ATOM 249 CG PRO A 17 3.998 -4.046 -3.616 1.00 0.00 C ATOM 250 CD PRO A 17 4.193 -2.563 -3.745 1.00 0.00 C ATOM 0 HA PRO A 17 1.015 -2.848 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.216 -5.227 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.639 -4.475 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.096 -4.364 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.749 -4.590 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.817 -2.170 -2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.682 -2.304 -4.684 1.00 0.00 H new ATOM 258 N VAL A 18 1.790 -2.984 -1.326 1.00 0.00 N ATOM 259 CA VAL A 18 1.240 -3.162 0.015 1.00 0.00 C ATOM 260 C VAL A 18 0.097 -2.185 0.278 1.00 0.00 C ATOM 261 O VAL A 18 -0.967 -2.573 0.762 1.00 0.00 O ATOM 262 CB VAL A 18 2.333 -2.973 1.089 1.00 0.00 C ATOM 263 CG1 VAL A 18 1.728 -2.938 2.485 1.00 0.00 C ATOM 264 CG2 VAL A 18 3.376 -4.077 0.985 1.00 0.00 C ATOM 0 H VAL A 18 2.728 -2.585 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 18 0.854 -4.180 0.073 1.00 0.00 H new ATOM 0 HB VAL A 18 2.821 -2.015 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.520 -2.804 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.023 -2.110 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.207 -3.875 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.139 -3.929 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.897 -5.045 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.839 -4.048 -0.001 1.00 0.00 H new ATOM 274 N ILE A 19 0.327 -0.919 -0.044 1.00 0.00 N ATOM 275 CA ILE A 19 -0.670 0.124 0.157 1.00 0.00 C ATOM 276 C ILE A 19 -1.837 -0.036 -0.810 1.00 0.00 C ATOM 277 O ILE A 19 -2.996 0.129 -0.432 1.00 0.00 O ATOM 278 CB ILE A 19 -0.054 1.522 -0.030 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.191 1.674 0.846 1.00 0.00 C ATOM 280 CG2 ILE A 19 -1.074 2.602 0.300 1.00 0.00 C ATOM 281 CD1 ILE A 19 2.130 2.763 0.378 1.00 0.00 C ATOM 0 H ILE A 19 1.203 -0.588 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.035 0.024 1.179 1.00 0.00 H new ATOM 0 HB ILE A 19 0.240 1.636 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.882 1.887 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.729 0.726 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.622 3.584 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.935 2.503 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.397 2.493 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.990 2.814 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.469 2.541 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.609 3.720 0.384 1.00 0.00 H new ATOM 293 N ALA A 20 -1.521 -0.352 -2.061 1.00 0.00 N ATOM 294 CA ALA A 20 -2.542 -0.532 -3.085 1.00 0.00 C ATOM 295 C ALA A 20 -3.475 -1.684 -2.729 1.00 0.00 C ATOM 296 O ALA A 20 -4.677 -1.626 -2.991 1.00 0.00 O ATOM 297 CB ALA A 20 -1.891 -0.772 -4.439 1.00 0.00 C ATOM 0 H ALA A 20 -0.565 -0.489 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.138 0.379 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.664 -0.905 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.270 0.085 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.272 -1.668 -4.391 1.00 0.00 H new ATOM 303 N GLY A 21 -2.913 -2.730 -2.128 1.00 0.00 N ATOM 304 CA GLY A 21 -3.710 -3.880 -1.741 1.00 0.00 C ATOM 305 C GLY A 21 -4.676 -3.559 -0.618 1.00 0.00 C ATOM 306 O GLY A 21 -5.847 -3.932 -0.672 1.00 0.00 O ATOM 0 H GLY A 21 -1.921 -2.801 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.268 -4.240 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.049 -4.689 -1.429 1.00 0.00 H new ATOM 310 N ILE A 22 -4.182 -2.863 0.403 1.00 0.00 N ATOM 311 CA ILE A 22 -5.011 -2.484 1.541 1.00 0.00 C ATOM 312 C ILE A 22 -6.060 -1.457 1.128 1.00 0.00 C ATOM 313 O ILE A 22 -7.191 -1.478 1.613 1.00 0.00 O ATOM 314 CB ILE A 22 -4.164 -1.907 2.693 1.00 0.00 C ATOM 315 CG1 ILE A 22 -3.099 -2.917 3.128 1.00 0.00 C ATOM 316 CG2 ILE A 22 -5.056 -1.532 3.869 1.00 0.00 C ATOM 317 CD1 ILE A 22 -2.081 -2.348 4.094 1.00 0.00 C ATOM 0 H ILE A 22 -3.213 -2.551 0.464 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.506 -3.390 1.891 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.662 -1.007 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.590 -3.772 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.580 -3.289 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.444 -1.126 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.781 -0.783 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.582 -2.418 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.359 -3.120 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.563 -1.511 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.588 -2.002 4.995 1.00 0.00 H new ATOM 329 N LEU A 23 -5.674 -0.559 0.226 1.00 0.00 N ATOM 330 CA LEU A 23 -6.579 0.477 -0.256 1.00 0.00 C ATOM 331 C LEU A 23 -7.777 -0.150 -0.955 1.00 0.00 C ATOM 332 O LEU A 23 -8.906 0.318 -0.813 1.00 0.00 O ATOM 333 CB LEU A 23 -5.843 1.424 -1.209 1.00 0.00 C ATOM 334 CG LEU A 23 -6.723 2.454 -1.924 1.00 0.00 C ATOM 335 CD1 LEU A 23 -7.505 3.291 -0.922 1.00 0.00 C ATOM 336 CD2 LEU A 23 -5.875 3.350 -2.814 1.00 0.00 C ATOM 0 H LEU A 23 -4.741 -0.529 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.937 1.051 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.077 1.956 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.328 0.827 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.437 1.915 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.122 4.015 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.143 2.640 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.811 3.818 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.515 4.076 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.138 3.875 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.363 2.742 -3.560 1.00 0.00 H new ATOM 348 N ALA A 24 -7.522 -1.217 -1.705 1.00 0.00 N ATOM 349 CA ALA A 24 -8.578 -1.919 -2.421 1.00 0.00 C ATOM 350 C ALA A 24 -9.611 -2.476 -1.449 1.00 0.00 C ATOM 351 O ALA A 24 -10.806 -2.495 -1.743 1.00 0.00 O ATOM 352 CB ALA A 24 -7.986 -3.033 -3.268 1.00 0.00 C ATOM 0 H ALA A 24 -6.591 -1.614 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.080 -1.210 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.785 -3.551 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.287 -2.610 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.461 -3.739 -2.625 1.00 0.00 H new ATOM 358 N SER A 25 -9.143 -2.929 -0.290 1.00 0.00 N ATOM 359 CA SER A 25 -10.028 -3.478 0.730 1.00 0.00 C ATOM 360 C SER A 25 -10.971 -2.400 1.252 1.00 0.00 C ATOM 361 O SER A 25 -12.145 -2.661 1.509 1.00 0.00 O ATOM 362 CB SER A 25 -9.212 -4.062 1.885 1.00 0.00 C ATOM 363 OG SER A 25 -10.059 -4.547 2.912 1.00 0.00 O ATOM 0 H SER A 25 -8.156 -2.926 -0.034 1.00 0.00 H new ATOM 0 HA SER A 25 -10.620 -4.274 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.581 -4.871 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.547 -3.298 2.288 1.00 0.00 H new ATOM 0 HG SER A 25 -9.514 -4.917 3.638 1.00 0.00 H new ATOM 369 N MET A 26 -10.445 -1.189 1.407 1.00 0.00 N ATOM 370 CA MET A 26 -11.240 -0.068 1.895 1.00 0.00 C ATOM 371 C MET A 26 -12.264 0.366 0.855 1.00 0.00 C ATOM 372 O MET A 26 -13.386 0.727 1.197 1.00 0.00 O ATOM 373 CB MET A 26 -10.338 1.108 2.269 1.00 0.00 C ATOM 374 CG MET A 26 -9.357 0.789 3.385 1.00 0.00 C ATOM 375 SD MET A 26 -8.545 2.260 4.040 1.00 0.00 S ATOM 376 CE MET A 26 -7.662 2.837 2.592 1.00 0.00 C ATOM 0 H MET A 26 -9.473 -0.959 1.202 1.00 0.00 H new ATOM 0 HA MET A 26 -11.774 -0.398 2.786 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.782 1.424 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.960 1.950 2.572 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.884 0.280 4.192 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.601 0.098 3.012 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.153 3.772 2.825 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.928 2.089 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.367 3.001 1.777 1.00 0.00 H new ATOM 386 N ILE A 27 -11.875 0.343 -0.414 1.00 0.00 N ATOM 387 CA ILE A 27 -12.792 0.721 -1.479 1.00 0.00 C ATOM 388 C ILE A 27 -13.991 -0.215 -1.478 1.00 0.00 C ATOM 389 O ILE A 27 -15.133 0.213 -1.650 1.00 0.00 O ATOM 390 CB ILE A 27 -12.113 0.686 -2.863 1.00 0.00 C ATOM 391 CG1 ILE A 27 -10.942 1.672 -2.903 1.00 0.00 C ATOM 392 CG2 ILE A 27 -13.124 1.004 -3.958 1.00 0.00 C ATOM 393 CD1 ILE A 27 -10.178 1.657 -4.210 1.00 0.00 C ATOM 0 H ILE A 27 -10.943 0.070 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.114 1.745 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.724 -0.317 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.320 2.679 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.256 1.440 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.630 0.975 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.927 0.267 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.540 1.998 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.364 2.380 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.769 0.661 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.850 1.919 -5.027 1.00 0.00 H new ATOM 405 N VAL A 28 -13.717 -1.500 -1.281 1.00 0.00 N ATOM 406 CA VAL A 28 -14.765 -2.509 -1.239 1.00 0.00 C ATOM 407 C VAL A 28 -15.636 -2.349 0.006 1.00 0.00 C ATOM 408 O VAL A 28 -16.858 -2.245 -0.094 1.00 0.00 O ATOM 409 CB VAL A 28 -14.178 -3.934 -1.264 1.00 0.00 C ATOM 410 CG1 VAL A 28 -15.281 -4.973 -1.130 1.00 0.00 C ATOM 411 CG2 VAL A 28 -13.376 -4.159 -2.538 1.00 0.00 C ATOM 0 H VAL A 28 -12.775 -1.867 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.378 -2.363 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.506 -4.043 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.845 -5.972 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.807 -4.826 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.983 -4.867 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.969 -5.170 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.025 -4.029 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.559 -3.439 -2.585 1.00 0.00 H new ATOM 421 N ASN A 29 -15.001 -2.329 1.178 1.00 0.00 N ATOM 422 CA ASN A 29 -15.730 -2.192 2.435 1.00 0.00 C ATOM 423 C ASN A 29 -16.510 -0.881 2.476 1.00 0.00 C ATOM 424 O ASN A 29 -17.534 -0.780 3.152 1.00 0.00 O ATOM 425 CB ASN A 29 -14.779 -2.314 3.640 1.00 0.00 C ATOM 426 CG ASN A 29 -13.790 -1.175 3.775 1.00 0.00 C ATOM 427 OD1 ASN A 29 -14.080 -0.031 3.434 1.00 0.00 O ATOM 428 ND2 ASN A 29 -12.610 -1.488 4.299 1.00 0.00 N ATOM 0 H ASN A 29 -13.989 -2.406 1.281 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.450 -3.008 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.373 -2.373 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.227 -3.250 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.903 -0.765 4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.411 -2.451 4.568 1.00 0.00 H new ATOM 435 N TRP A 30 -16.023 0.120 1.748 1.00 0.00 N ATOM 436 CA TRP A 30 -16.688 1.416 1.690 1.00 0.00 C ATOM 437 C TRP A 30 -17.988 1.305 0.900 1.00 0.00 C ATOM 438 O TRP A 30 -19.046 1.731 1.361 1.00 0.00 O ATOM 439 CB TRP A 30 -15.759 2.458 1.055 1.00 0.00 C ATOM 440 CG TRP A 30 -16.469 3.662 0.510 1.00 0.00 C ATOM 441 CD1 TRP A 30 -17.249 4.543 1.203 1.00 0.00 C ATOM 442 CD2 TRP A 30 -16.457 4.118 -0.847 1.00 0.00 C ATOM 443 NE1 TRP A 30 -17.722 5.519 0.359 1.00 0.00 N ATOM 444 CE2 TRP A 30 -17.250 5.280 -0.905 1.00 0.00 C ATOM 445 CE3 TRP A 30 -15.851 3.657 -2.020 1.00 0.00 C ATOM 446 CZ2 TRP A 30 -17.453 5.985 -2.089 1.00 0.00 C ATOM 447 CZ3 TRP A 30 -16.053 4.357 -3.194 1.00 0.00 C ATOM 448 CH2 TRP A 30 -16.848 5.510 -3.221 1.00 0.00 C ATOM 0 H TRP A 30 -15.171 0.058 1.191 1.00 0.00 H new ATOM 0 HA TRP A 30 -16.926 1.737 2.704 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.034 2.784 1.800 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.198 1.985 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.463 4.482 2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.326 6.295 0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.236 2.769 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -18.066 6.874 -2.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.590 4.009 -4.106 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -16.986 6.035 -4.155 1.00 0.00 H new ATOM 459 N LEU A 31 -17.896 0.734 -0.297 1.00 0.00 N ATOM 460 CA LEU A 31 -19.065 0.549 -1.147 1.00 0.00 C ATOM 461 C LEU A 31 -20.055 -0.418 -0.505 1.00 0.00 C ATOM 462 O LEU A 31 -21.261 -0.338 -0.741 1.00 0.00 O ATOM 463 CB LEU A 31 -18.646 0.042 -2.527 1.00 0.00 C ATOM 464 CG LEU A 31 -18.171 1.127 -3.492 1.00 0.00 C ATOM 465 CD1 LEU A 31 -17.474 0.503 -4.687 1.00 0.00 C ATOM 466 CD2 LEU A 31 -19.342 1.985 -3.948 1.00 0.00 C ATOM 0 H LEU A 31 -17.024 0.392 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.557 1.515 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.847 -0.689 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.489 -0.481 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.459 1.766 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.141 1.289 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.612 -0.071 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.167 -0.157 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.985 2.752 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -20.077 1.359 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.804 2.459 -3.082 1.00 0.00 H new ATOM 478 N ASN A 32 -19.532 -1.331 0.310 1.00 0.00 N ATOM 479 CA ASN A 32 -20.360 -2.328 0.982 1.00 0.00 C ATOM 480 C ASN A 32 -21.290 -1.690 2.011 1.00 0.00 C ATOM 481 O ASN A 32 -22.449 -2.085 2.137 1.00 0.00 O ATOM 482 CB ASN A 32 -19.481 -3.377 1.665 1.00 0.00 C ATOM 483 CG ASN A 32 -18.793 -4.296 0.673 1.00 0.00 C ATOM 484 OD1 ASN A 32 -17.683 -4.769 0.915 1.00 0.00 O ATOM 485 ND2 ASN A 32 -19.453 -4.561 -0.450 1.00 0.00 N ATOM 0 H ASN A 32 -18.536 -1.401 0.521 1.00 0.00 H new ATOM 0 HA ASN A 32 -20.975 -2.807 0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.728 -2.875 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.092 -3.973 2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.041 -5.177 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.372 -4.148 -0.611 1.00 0.00 H new ATOM 492 N LYS A 33 -20.780 -0.706 2.748 1.00 0.00 N ATOM 493 CA LYS A 33 -21.576 -0.034 3.770 1.00 0.00 C ATOM 494 C LYS A 33 -22.602 0.908 3.146 1.00 0.00 C ATOM 495 O LYS A 33 -23.698 1.081 3.679 1.00 0.00 O ATOM 496 CB LYS A 33 -20.674 0.734 4.741 1.00 0.00 C ATOM 497 CG LYS A 33 -20.015 1.962 4.135 1.00 0.00 C ATOM 498 CD LYS A 33 -20.277 3.199 4.975 1.00 0.00 C ATOM 499 CE LYS A 33 -19.685 4.446 4.337 1.00 0.00 C ATOM 500 NZ LYS A 33 -20.236 4.690 2.976 1.00 0.00 N ATOM 0 H LYS A 33 -19.825 -0.359 2.657 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.115 -0.802 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -21.265 1.040 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.898 0.062 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.941 1.797 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -20.393 2.119 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.351 3.331 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.851 3.061 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.888 5.309 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.602 4.343 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.926 5.624 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.892 3.955 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.275 4.662 3.012 1.00 0.00 H new ATOM 514 N ARG A 34 -22.247 1.515 2.016 1.00 0.00 N ATOM 515 CA ARG A 34 -23.150 2.436 1.332 1.00 0.00 C ATOM 516 C ARG A 34 -23.999 1.699 0.302 1.00 0.00 C ATOM 517 O ARG A 34 -24.848 2.298 -0.359 1.00 0.00 O ATOM 518 CB ARG A 34 -22.367 3.563 0.653 1.00 0.00 C ATOM 519 CG ARG A 34 -21.422 3.087 -0.439 1.00 0.00 C ATOM 520 CD ARG A 34 -21.104 4.203 -1.422 1.00 0.00 C ATOM 521 NE ARG A 34 -20.594 5.398 -0.753 1.00 0.00 N ATOM 522 CZ ARG A 34 -20.635 6.615 -1.289 1.00 0.00 C ATOM 523 NH1 ARG A 34 -21.158 6.798 -2.494 1.00 0.00 N ATOM 524 NH2 ARG A 34 -20.151 7.652 -0.620 1.00 0.00 N ATOM 0 H ARG A 34 -21.345 1.387 1.557 1.00 0.00 H new ATOM 0 HA ARG A 34 -23.810 2.872 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -23.072 4.275 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -21.793 4.099 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -20.499 2.722 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -21.871 2.248 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -20.367 3.850 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -22.003 4.458 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 34 -20.184 5.293 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -21.531 6.004 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.187 7.733 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.747 7.517 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.183 8.585 -1.032 1.00 0.00 H new ATOM 538 N LYS A 35 -23.763 0.396 0.174 1.00 0.00 N ATOM 539 CA LYS A 35 -24.504 -0.433 -0.772 1.00 0.00 C ATOM 540 C LYS A 35 -24.376 0.107 -2.194 1.00 0.00 C ATOM 541 O LYS A 35 -25.238 0.913 -2.602 1.00 0.00 O ATOM 542 CB LYS A 35 -25.980 -0.505 -0.370 1.00 0.00 C ATOM 543 CG LYS A 35 -26.204 -0.969 1.063 1.00 0.00 C ATOM 544 CD LYS A 35 -25.669 -2.375 1.294 1.00 0.00 C ATOM 545 CE LYS A 35 -26.483 -3.414 0.540 1.00 0.00 C ATOM 546 NZ LYS A 35 -25.989 -4.795 0.794 1.00 0.00 N ATOM 547 OXT LYS A 35 -23.413 -0.282 -2.888 1.00 0.00 O ATOM 0 H LYS A 35 -23.062 -0.110 0.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -24.077 -1.436 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -26.430 0.479 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -26.499 -1.183 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.715 -0.277 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -27.270 -0.944 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -24.628 -2.426 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -25.687 -2.601 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -27.529 -3.342 0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.440 -3.204 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -26.570 -5.475 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -24.998 -4.871 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -26.053 -5.005 1.810 1.00 0.00 H new TER 561 LYS A 35