USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=8 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 167:sc= -0.0453 (180deg=-0.311) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0204 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.572 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.498 K(o=-0.5,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 163:sc= -0.133 (180deg=-0.59) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.127 F(o=-2.7!,f=-0.13) USER MOD Single : A 32 ASN :FLIP amide:sc= -2.4 F(o=-3.1!,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0537 (180deg=-0.396) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.527 -0.604 -3.148 1.00 0.00 N ATOM 2 CA MET A 1 26.167 -0.047 -2.932 1.00 0.00 C ATOM 3 C MET A 1 25.835 0.021 -1.447 1.00 0.00 C ATOM 4 O MET A 1 26.270 -0.821 -0.661 1.00 0.00 O ATOM 5 CB MET A 1 25.126 -0.897 -3.665 1.00 0.00 C ATOM 6 CG MET A 1 23.689 -0.472 -3.405 1.00 0.00 C ATOM 7 SD MET A 1 23.407 1.281 -3.728 1.00 0.00 S ATOM 8 CE MET A 1 23.851 1.390 -5.460 1.00 0.00 C ATOM 0 H1 MET A 1 27.538 -1.162 -4.026 1.00 0.00 H new ATOM 0 H2 MET A 1 28.213 0.174 -3.223 1.00 0.00 H new ATOM 0 H3 MET A 1 27.783 -1.215 -2.346 1.00 0.00 H new ATOM 0 HA MET A 1 26.147 0.966 -3.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.321 -0.848 -4.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.246 -1.938 -3.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.021 -1.064 -4.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.432 -0.691 -2.369 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.514 2.345 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.933 1.314 -5.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.376 0.577 -6.009 1.00 0.00 H new ATOM 20 N THR A 2 25.058 1.030 -1.076 1.00 0.00 N ATOM 21 CA THR A 2 24.659 1.224 0.312 1.00 0.00 C ATOM 22 C THR A 2 23.302 0.592 0.591 1.00 0.00 C ATOM 23 O THR A 2 22.306 0.930 -0.049 1.00 0.00 O ATOM 24 CB THR A 2 24.595 2.719 0.669 1.00 0.00 C ATOM 25 OG1 THR A 2 24.411 3.497 -0.519 1.00 0.00 O ATOM 26 CG2 THR A 2 25.864 3.163 1.381 1.00 0.00 C ATOM 0 H THR A 2 24.690 1.730 -1.720 1.00 0.00 H new ATOM 0 HA THR A 2 25.415 0.738 0.928 1.00 0.00 H new ATOM 0 HB THR A 2 23.750 2.873 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 2 24.827 4.376 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.794 4.224 1.622 1.00 0.00 H new ATOM 0 HG22 THR A 2 25.986 2.589 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 2 26.723 2.995 0.732 1.00 0.00 H new ATOM 34 N PHE A 3 23.272 -0.329 1.548 1.00 0.00 N ATOM 35 CA PHE A 3 22.035 -1.006 1.915 1.00 0.00 C ATOM 36 C PHE A 3 21.012 -0.005 2.438 1.00 0.00 C ATOM 37 O PHE A 3 19.809 -0.177 2.250 1.00 0.00 O ATOM 38 CB PHE A 3 22.302 -2.082 2.967 1.00 0.00 C ATOM 39 CG PHE A 3 21.362 -3.249 2.868 1.00 0.00 C ATOM 40 CD1 PHE A 3 20.423 -3.491 3.857 1.00 0.00 C ATOM 41 CD2 PHE A 3 21.418 -4.101 1.778 1.00 0.00 C ATOM 42 CE1 PHE A 3 19.556 -4.564 3.759 1.00 0.00 C ATOM 43 CE2 PHE A 3 20.556 -5.173 1.675 1.00 0.00 C ATOM 44 CZ PHE A 3 19.623 -5.406 2.666 1.00 0.00 C ATOM 0 H PHE A 3 24.089 -0.623 2.083 1.00 0.00 H new ATOM 0 HA PHE A 3 21.632 -1.484 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 3 23.327 -2.439 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 3 22.219 -1.640 3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.367 -2.835 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 3 22.145 -3.924 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.828 -4.743 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.611 -5.830 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.947 -6.245 2.587 1.00 0.00 H new ATOM 54 N ALA A 4 21.501 1.038 3.102 1.00 0.00 N ATOM 55 CA ALA A 4 20.630 2.071 3.651 1.00 0.00 C ATOM 56 C ALA A 4 20.001 2.903 2.538 1.00 0.00 C ATOM 57 O ALA A 4 18.811 3.215 2.583 1.00 0.00 O ATOM 58 CB ALA A 4 21.407 2.965 4.607 1.00 0.00 C ATOM 0 H ALA A 4 22.495 1.190 3.273 1.00 0.00 H new ATOM 0 HA ALA A 4 19.828 1.581 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 4 20.744 3.731 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.805 2.364 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.229 3.441 4.073 1.00 0.00 H new ATOM 64 N GLU A 5 20.805 3.256 1.538 1.00 0.00 N ATOM 65 CA GLU A 5 20.318 4.049 0.414 1.00 0.00 C ATOM 66 C GLU A 5 19.328 3.246 -0.419 1.00 0.00 C ATOM 67 O GLU A 5 18.428 3.807 -1.045 1.00 0.00 O ATOM 68 CB GLU A 5 21.483 4.520 -0.460 1.00 0.00 C ATOM 69 CG GLU A 5 22.368 5.555 0.215 1.00 0.00 C ATOM 70 CD GLU A 5 21.616 6.822 0.575 1.00 0.00 C ATOM 71 OE1 GLU A 5 21.137 6.922 1.724 1.00 0.00 O ATOM 72 OE2 GLU A 5 21.505 7.713 -0.293 1.00 0.00 O ATOM 0 H GLU A 5 21.792 3.006 1.484 1.00 0.00 H new ATOM 0 HA GLU A 5 19.807 4.925 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.091 3.658 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.087 4.940 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.800 5.124 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.197 5.805 -0.447 1.00 0.00 H new ATOM 79 N LEU A 6 19.501 1.928 -0.423 1.00 0.00 N ATOM 80 CA LEU A 6 18.614 1.046 -1.171 1.00 0.00 C ATOM 81 C LEU A 6 17.488 0.551 -0.272 1.00 0.00 C ATOM 82 O LEU A 6 16.493 0.010 -0.747 1.00 0.00 O ATOM 83 CB LEU A 6 19.394 -0.146 -1.735 1.00 0.00 C ATOM 84 CG LEU A 6 18.695 -0.909 -2.865 1.00 0.00 C ATOM 85 CD1 LEU A 6 19.705 -1.352 -3.912 1.00 0.00 C ATOM 86 CD2 LEU A 6 17.946 -2.113 -2.314 1.00 0.00 C ATOM 0 H LEU A 6 20.246 1.449 0.083 1.00 0.00 H new ATOM 0 HA LEU A 6 18.186 1.608 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.357 0.211 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.600 -0.842 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 6 17.976 -0.239 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.191 -1.892 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.203 -0.477 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.446 -2.004 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.456 -2.642 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.648 -2.783 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.196 -1.778 -1.597 1.00 0.00 H new ATOM 98 N GLY A 7 17.649 0.760 1.031 1.00 0.00 N ATOM 99 CA GLY A 7 16.643 0.323 1.982 1.00 0.00 C ATOM 100 C GLY A 7 15.351 1.108 1.875 1.00 0.00 C ATOM 101 O GLY A 7 14.268 0.526 1.860 1.00 0.00 O ATOM 0 H GLY A 7 18.458 1.224 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.434 -0.735 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.039 0.420 2.993 1.00 0.00 H new ATOM 105 N MET A 8 15.464 2.429 1.801 1.00 0.00 N ATOM 106 CA MET A 8 14.290 3.291 1.704 1.00 0.00 C ATOM 107 C MET A 8 13.609 3.152 0.347 1.00 0.00 C ATOM 108 O MET A 8 12.386 3.063 0.267 1.00 0.00 O ATOM 109 CB MET A 8 14.681 4.750 1.945 1.00 0.00 C ATOM 110 CG MET A 8 15.288 4.998 3.316 1.00 0.00 C ATOM 111 SD MET A 8 14.152 4.603 4.659 1.00 0.00 S ATOM 112 CE MET A 8 15.228 4.797 6.078 1.00 0.00 C ATOM 0 H MET A 8 16.354 2.927 1.806 1.00 0.00 H new ATOM 0 HA MET A 8 13.583 2.977 2.472 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.394 5.058 1.180 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.798 5.378 1.829 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.193 4.399 3.422 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.587 6.043 3.393 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.669 4.586 6.990 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.066 4.104 5.997 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.605 5.819 6.112 1.00 0.00 H new ATOM 122 N ALA A 9 14.404 3.139 -0.717 1.00 0.00 N ATOM 123 CA ALA A 9 13.867 3.009 -2.067 1.00 0.00 C ATOM 124 C ALA A 9 13.161 1.670 -2.249 1.00 0.00 C ATOM 125 O ALA A 9 12.078 1.601 -2.828 1.00 0.00 O ATOM 126 CB ALA A 9 14.977 3.167 -3.095 1.00 0.00 C ATOM 0 H ALA A 9 15.420 3.217 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 9 13.133 3.801 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.561 3.068 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.435 4.150 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.732 2.396 -2.937 1.00 0.00 H new ATOM 132 N PHE A 10 13.786 0.609 -1.751 1.00 0.00 N ATOM 133 CA PHE A 10 13.226 -0.734 -1.856 1.00 0.00 C ATOM 134 C PHE A 10 11.984 -0.887 -0.980 1.00 0.00 C ATOM 135 O PHE A 10 10.969 -1.423 -1.423 1.00 0.00 O ATOM 136 CB PHE A 10 14.287 -1.771 -1.472 1.00 0.00 C ATOM 137 CG PHE A 10 13.753 -3.156 -1.235 1.00 0.00 C ATOM 138 CD1 PHE A 10 14.085 -3.841 -0.078 1.00 0.00 C ATOM 139 CD2 PHE A 10 12.925 -3.773 -2.162 1.00 0.00 C ATOM 140 CE1 PHE A 10 13.603 -5.115 0.153 1.00 0.00 C ATOM 141 CE2 PHE A 10 12.439 -5.048 -1.936 1.00 0.00 C ATOM 142 CZ PHE A 10 12.779 -5.720 -0.777 1.00 0.00 C ATOM 0 H PHE A 10 14.684 0.653 -1.269 1.00 0.00 H new ATOM 0 HA PHE A 10 12.922 -0.900 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.036 -1.815 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.796 -1.433 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.729 -3.374 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.657 -3.252 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.870 -5.638 1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.795 -5.518 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.401 -6.716 -0.599 1.00 0.00 H new ATOM 152 N TRP A 11 12.069 -0.421 0.263 1.00 0.00 N ATOM 153 CA TRP A 11 10.943 -0.515 1.187 1.00 0.00 C ATOM 154 C TRP A 11 9.748 0.287 0.684 1.00 0.00 C ATOM 155 O TRP A 11 8.610 -0.171 0.754 1.00 0.00 O ATOM 156 CB TRP A 11 11.345 -0.041 2.584 1.00 0.00 C ATOM 157 CG TRP A 11 11.776 -1.159 3.486 1.00 0.00 C ATOM 158 CD1 TRP A 11 13.027 -1.374 3.991 1.00 0.00 C ATOM 159 CD2 TRP A 11 10.955 -2.221 3.986 1.00 0.00 C ATOM 160 NE1 TRP A 11 13.031 -2.499 4.778 1.00 0.00 N ATOM 161 CE2 TRP A 11 11.772 -3.037 4.791 1.00 0.00 C ATOM 162 CE3 TRP A 11 9.606 -2.559 3.834 1.00 0.00 C ATOM 163 CZ2 TRP A 11 11.286 -4.169 5.440 1.00 0.00 C ATOM 164 CZ3 TRP A 11 9.125 -3.684 4.478 1.00 0.00 C ATOM 165 CH2 TRP A 11 9.962 -4.476 5.273 1.00 0.00 C ATOM 0 H TRP A 11 12.901 0.023 0.652 1.00 0.00 H new ATOM 0 HA TRP A 11 10.651 -1.564 1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.158 0.680 2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.504 0.481 3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 11 13.887 -0.750 3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.841 -2.873 5.273 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.952 -1.952 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.930 -4.783 6.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.086 -3.956 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.555 -5.347 5.765 1.00 0.00 H new ATOM 176 N HIS A 12 10.013 1.487 0.182 1.00 0.00 N ATOM 177 CA HIS A 12 8.956 2.347 -0.337 1.00 0.00 C ATOM 178 C HIS A 12 8.354 1.765 -1.613 1.00 0.00 C ATOM 179 O HIS A 12 7.141 1.816 -1.816 1.00 0.00 O ATOM 180 CB HIS A 12 9.493 3.755 -0.599 1.00 0.00 C ATOM 181 CG HIS A 12 9.796 4.517 0.655 1.00 0.00 C ATOM 182 ND1 HIS A 12 10.223 3.930 1.825 1.00 0.00 N ATOM 183 CD2 HIS A 12 9.723 5.849 0.910 1.00 0.00 C ATOM 184 CE1 HIS A 12 10.393 4.900 2.734 1.00 0.00 C ATOM 185 NE2 HIS A 12 10.103 6.083 2.229 1.00 0.00 N ATOM 0 H HIS A 12 10.950 1.887 0.123 1.00 0.00 H new ATOM 0 HA HIS A 12 8.169 2.405 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.399 3.685 -1.201 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.763 4.311 -1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.419 6.606 0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.724 4.734 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.148 6.983 2.706 1.00 0.00 H new ATOM 193 N ASP A 13 9.210 1.214 -2.471 1.00 0.00 N ATOM 194 CA ASP A 13 8.759 0.629 -3.729 1.00 0.00 C ATOM 195 C ASP A 13 7.892 -0.602 -3.487 1.00 0.00 C ATOM 196 O ASP A 13 6.868 -0.783 -4.143 1.00 0.00 O ATOM 197 CB ASP A 13 9.958 0.254 -4.603 1.00 0.00 C ATOM 198 CG ASP A 13 9.538 -0.340 -5.933 1.00 0.00 C ATOM 199 OD1 ASP A 13 9.387 0.429 -6.906 1.00 0.00 O ATOM 200 OD2 ASP A 13 9.359 -1.574 -6.002 1.00 0.00 O ATOM 0 H ASP A 13 10.217 1.161 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 13 8.157 1.377 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.567 1.140 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.584 -0.462 -4.070 1.00 0.00 H new ATOM 205 N LEU A 14 8.309 -1.450 -2.548 1.00 0.00 N ATOM 206 CA LEU A 14 7.556 -2.660 -2.228 1.00 0.00 C ATOM 207 C LEU A 14 6.291 -2.318 -1.454 1.00 0.00 C ATOM 208 O LEU A 14 5.285 -3.016 -1.554 1.00 0.00 O ATOM 209 CB LEU A 14 8.420 -3.650 -1.437 1.00 0.00 C ATOM 210 CG LEU A 14 8.602 -3.345 0.050 1.00 0.00 C ATOM 211 CD1 LEU A 14 7.470 -3.956 0.861 1.00 0.00 C ATOM 212 CD2 LEU A 14 9.946 -3.870 0.532 1.00 0.00 C ATOM 0 H LEU A 14 9.159 -1.322 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 14 7.268 -3.135 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.979 -4.642 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.405 -3.693 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 14 8.579 -2.264 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.615 -3.729 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.519 -3.541 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.463 -5.037 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.065 -3.647 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.991 -4.949 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.747 -3.391 -0.031 1.00 0.00 H new ATOM 224 N ALA A 15 6.354 -1.242 -0.680 1.00 0.00 N ATOM 225 CA ALA A 15 5.220 -0.805 0.124 1.00 0.00 C ATOM 226 C ALA A 15 4.097 -0.248 -0.744 1.00 0.00 C ATOM 227 O ALA A 15 2.922 -0.414 -0.425 1.00 0.00 O ATOM 228 CB ALA A 15 5.664 0.230 1.146 1.00 0.00 C ATOM 0 H ALA A 15 7.182 -0.654 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 15 4.830 -1.677 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.806 0.547 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.417 -0.206 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.087 1.092 0.630 1.00 0.00 H new ATOM 234 N ALA A 16 4.462 0.419 -1.835 1.00 0.00 N ATOM 235 CA ALA A 16 3.478 1.012 -2.738 1.00 0.00 C ATOM 236 C ALA A 16 2.363 0.020 -3.103 1.00 0.00 C ATOM 237 O ALA A 16 1.184 0.321 -2.910 1.00 0.00 O ATOM 238 CB ALA A 16 4.161 1.557 -3.986 1.00 0.00 C ATOM 0 H ALA A 16 5.432 0.563 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 16 3.004 1.842 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.414 1.995 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.885 2.320 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.673 0.746 -4.504 1.00 0.00 H new ATOM 244 N PRO A 17 2.706 -1.175 -3.635 1.00 0.00 N ATOM 245 CA PRO A 17 1.704 -2.185 -4.005 1.00 0.00 C ATOM 246 C PRO A 17 1.071 -2.853 -2.788 1.00 0.00 C ATOM 247 O PRO A 17 -0.066 -3.322 -2.847 1.00 0.00 O ATOM 248 CB PRO A 17 2.513 -3.206 -4.806 1.00 0.00 C ATOM 249 CG PRO A 17 3.902 -3.082 -4.290 1.00 0.00 C ATOM 250 CD PRO A 17 4.079 -1.634 -3.932 1.00 0.00 C ATOM 0 HA PRO A 17 0.871 -1.747 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.127 -4.215 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.468 -2.995 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.054 -3.721 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.628 -3.390 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.737 -1.512 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.521 -1.070 -4.753 1.00 0.00 H new ATOM 258 N VAL A 18 1.813 -2.895 -1.685 1.00 0.00 N ATOM 259 CA VAL A 18 1.325 -3.509 -0.454 1.00 0.00 C ATOM 260 C VAL A 18 0.174 -2.702 0.137 1.00 0.00 C ATOM 261 O VAL A 18 -0.870 -3.251 0.492 1.00 0.00 O ATOM 262 CB VAL A 18 2.454 -3.630 0.593 1.00 0.00 C ATOM 263 CG1 VAL A 18 1.902 -4.054 1.946 1.00 0.00 C ATOM 264 CG2 VAL A 18 3.519 -4.609 0.119 1.00 0.00 C ATOM 0 H VAL A 18 2.755 -2.511 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 18 0.969 -4.507 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 18 2.913 -2.648 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.718 -4.131 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.182 -3.313 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.409 -5.022 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.306 -4.681 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.070 -5.591 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.945 -4.257 -0.821 1.00 0.00 H new ATOM 274 N ILE A 19 0.378 -1.395 0.239 1.00 0.00 N ATOM 275 CA ILE A 19 -0.627 -0.495 0.785 1.00 0.00 C ATOM 276 C ILE A 19 -1.813 -0.355 -0.163 1.00 0.00 C ATOM 277 O ILE A 19 -2.959 -0.261 0.271 1.00 0.00 O ATOM 278 CB ILE A 19 -0.026 0.898 1.054 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.231 0.770 1.918 1.00 0.00 C ATOM 280 CG2 ILE A 19 -1.049 1.801 1.727 1.00 0.00 C ATOM 281 CD1 ILE A 19 2.156 1.961 1.819 1.00 0.00 C ATOM 0 H ILE A 19 1.239 -0.932 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.973 -0.926 1.724 1.00 0.00 H new ATOM 0 HB ILE A 19 0.250 1.349 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.935 0.636 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.775 -0.128 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.606 2.780 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.919 1.911 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.356 1.360 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.025 1.801 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.482 2.084 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.629 2.859 2.142 1.00 0.00 H new ATOM 293 N ALA A 20 -1.525 -0.342 -1.461 1.00 0.00 N ATOM 294 CA ALA A 20 -2.563 -0.207 -2.476 1.00 0.00 C ATOM 295 C ALA A 20 -3.496 -1.414 -2.484 1.00 0.00 C ATOM 296 O ALA A 20 -4.698 -1.277 -2.714 1.00 0.00 O ATOM 297 CB ALA A 20 -1.933 -0.022 -3.847 1.00 0.00 C ATOM 0 H ALA A 20 -0.579 -0.424 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.158 0.673 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.717 0.078 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.316 0.876 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.314 -0.887 -4.083 1.00 0.00 H new ATOM 303 N GLY A 21 -2.936 -2.595 -2.236 1.00 0.00 N ATOM 304 CA GLY A 21 -3.740 -3.804 -2.224 1.00 0.00 C ATOM 305 C GLY A 21 -4.693 -3.850 -1.046 1.00 0.00 C ATOM 306 O GLY A 21 -5.871 -4.169 -1.206 1.00 0.00 O ATOM 0 H GLY A 21 -1.944 -2.736 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.309 -3.868 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.084 -4.674 -2.192 1.00 0.00 H new ATOM 310 N ILE A 22 -4.183 -3.532 0.139 1.00 0.00 N ATOM 311 CA ILE A 22 -4.999 -3.528 1.347 1.00 0.00 C ATOM 312 C ILE A 22 -6.016 -2.393 1.302 1.00 0.00 C ATOM 313 O ILE A 22 -7.148 -2.538 1.763 1.00 0.00 O ATOM 314 CB ILE A 22 -4.134 -3.386 2.614 1.00 0.00 C ATOM 315 CG1 ILE A 22 -3.064 -4.481 2.649 1.00 0.00 C ATOM 316 CG2 ILE A 22 -5.006 -3.448 3.860 1.00 0.00 C ATOM 317 CD1 ILE A 22 -2.005 -4.263 3.708 1.00 0.00 C ATOM 0 H ILE A 22 -3.208 -3.274 0.288 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.520 -4.485 1.388 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.636 -2.417 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.547 -5.443 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.583 -4.538 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.381 -3.346 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.735 -2.638 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.528 -4.404 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.282 -5.078 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.495 -3.317 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.474 -4.237 4.692 1.00 0.00 H new ATOM 329 N LEU A 23 -5.598 -1.265 0.739 1.00 0.00 N ATOM 330 CA LEU A 23 -6.459 -0.096 0.623 1.00 0.00 C ATOM 331 C LEU A 23 -7.640 -0.382 -0.299 1.00 0.00 C ATOM 332 O LEU A 23 -8.749 0.096 -0.068 1.00 0.00 O ATOM 333 CB LEU A 23 -5.657 1.094 0.092 1.00 0.00 C ATOM 334 CG LEU A 23 -6.466 2.367 -0.158 1.00 0.00 C ATOM 335 CD1 LEU A 23 -7.033 2.909 1.146 1.00 0.00 C ATOM 336 CD2 LEU A 23 -5.603 3.415 -0.844 1.00 0.00 C ATOM 0 H LEU A 23 -4.662 -1.136 0.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.846 0.145 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.862 1.322 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.176 0.800 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.301 2.122 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.605 3.815 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.684 2.161 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.216 3.140 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.192 4.316 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.749 3.655 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.248 3.026 -1.798 1.00 0.00 H new ATOM 348 N ALA A 24 -7.390 -1.165 -1.344 1.00 0.00 N ATOM 349 CA ALA A 24 -8.431 -1.521 -2.300 1.00 0.00 C ATOM 350 C ALA A 24 -9.573 -2.257 -1.611 1.00 0.00 C ATOM 351 O ALA A 24 -10.745 -1.997 -1.882 1.00 0.00 O ATOM 352 CB ALA A 24 -7.849 -2.372 -3.418 1.00 0.00 C ATOM 0 H ALA A 24 -6.475 -1.565 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.831 -0.602 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.637 -2.631 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.069 -1.812 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.424 -3.284 -2.998 1.00 0.00 H new ATOM 358 N SER A 25 -9.222 -3.177 -0.719 1.00 0.00 N ATOM 359 CA SER A 25 -10.218 -3.946 0.016 1.00 0.00 C ATOM 360 C SER A 25 -11.057 -3.027 0.896 1.00 0.00 C ATOM 361 O SER A 25 -12.244 -3.271 1.114 1.00 0.00 O ATOM 362 CB SER A 25 -9.541 -5.018 0.872 1.00 0.00 C ATOM 363 OG SER A 25 -8.804 -5.922 0.067 1.00 0.00 O ATOM 0 H SER A 25 -8.256 -3.408 -0.488 1.00 0.00 H new ATOM 0 HA SER A 25 -10.873 -4.436 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.877 -4.545 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.294 -5.563 1.441 1.00 0.00 H new ATOM 0 HG SER A 25 -8.379 -6.596 0.637 1.00 0.00 H new ATOM 369 N MET A 26 -10.428 -1.969 1.400 1.00 0.00 N ATOM 370 CA MET A 26 -11.112 -1.005 2.253 1.00 0.00 C ATOM 371 C MET A 26 -12.126 -0.198 1.451 1.00 0.00 C ATOM 372 O MET A 26 -13.252 0.024 1.897 1.00 0.00 O ATOM 373 CB MET A 26 -10.098 -0.065 2.908 1.00 0.00 C ATOM 374 CG MET A 26 -9.086 -0.780 3.789 1.00 0.00 C ATOM 375 SD MET A 26 -7.830 0.331 4.454 1.00 0.00 S ATOM 376 CE MET A 26 -8.844 1.500 5.356 1.00 0.00 C ATOM 0 H MET A 26 -9.444 -1.758 1.231 1.00 0.00 H new ATOM 0 HA MET A 26 -11.643 -1.554 3.031 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.567 0.482 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.633 0.672 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.608 -1.266 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.600 -1.566 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.222 2.057 6.057 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.311 2.193 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.617 0.963 5.905 1.00 0.00 H new ATOM 386 N ILE A 27 -11.718 0.240 0.264 1.00 0.00 N ATOM 387 CA ILE A 27 -12.593 1.019 -0.603 1.00 0.00 C ATOM 388 C ILE A 27 -13.816 0.206 -1.006 1.00 0.00 C ATOM 389 O ILE A 27 -14.932 0.723 -1.038 1.00 0.00 O ATOM 390 CB ILE A 27 -11.861 1.490 -1.875 1.00 0.00 C ATOM 391 CG1 ILE A 27 -10.616 2.297 -1.504 1.00 0.00 C ATOM 392 CG2 ILE A 27 -12.794 2.322 -2.746 1.00 0.00 C ATOM 393 CD1 ILE A 27 -9.759 2.675 -2.694 1.00 0.00 C ATOM 0 H ILE A 27 -10.788 0.069 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.906 1.895 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.549 0.613 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.924 3.205 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.014 1.718 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.263 2.647 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.656 1.720 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.132 3.195 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.895 3.245 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.421 1.771 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.344 3.281 -3.386 1.00 0.00 H new ATOM 405 N VAL A 28 -13.600 -1.069 -1.318 1.00 0.00 N ATOM 406 CA VAL A 28 -14.694 -1.948 -1.713 1.00 0.00 C ATOM 407 C VAL A 28 -15.652 -2.178 -0.549 1.00 0.00 C ATOM 408 O VAL A 28 -16.867 -2.057 -0.701 1.00 0.00 O ATOM 409 CB VAL A 28 -14.181 -3.309 -2.225 1.00 0.00 C ATOM 410 CG1 VAL A 28 -15.345 -4.234 -2.549 1.00 0.00 C ATOM 411 CG2 VAL A 28 -13.292 -3.121 -3.444 1.00 0.00 C ATOM 0 H VAL A 28 -12.682 -1.514 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.221 -1.449 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.588 -3.770 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.962 -5.189 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.941 -4.397 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.967 -3.779 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.940 -4.092 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.861 -2.637 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.437 -2.499 -3.179 1.00 0.00 H new ATOM 421 N ASN A 29 -15.096 -2.509 0.613 1.00 0.00 N ATOM 422 CA ASN A 29 -15.900 -2.754 1.807 1.00 0.00 C ATOM 423 C ASN A 29 -16.745 -1.533 2.156 1.00 0.00 C ATOM 424 O ASN A 29 -17.888 -1.662 2.598 1.00 0.00 O ATOM 425 CB ASN A 29 -15.000 -3.121 2.990 1.00 0.00 C ATOM 426 CG ASN A 29 -14.465 -4.538 2.899 1.00 0.00 C ATOM 427 OD1 ASN A 29 -14.256 -5.020 1.679 1.00 0.00 O flip ATOM 428 ND2 ASN A 29 -14.241 -5.193 3.917 1.00 0.00 N flip ATOM 0 H ASN A 29 -14.091 -2.614 0.753 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.569 -3.588 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.164 -2.423 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.561 -3.007 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.416 -4.784 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.881 -6.144 3.842 1.00 0.00 H new ATOM 435 N TRP A 30 -16.175 -0.350 1.954 1.00 0.00 N ATOM 436 CA TRP A 30 -16.874 0.897 2.242 1.00 0.00 C ATOM 437 C TRP A 30 -18.008 1.124 1.249 1.00 0.00 C ATOM 438 O TRP A 30 -19.138 1.420 1.637 1.00 0.00 O ATOM 439 CB TRP A 30 -15.894 2.074 2.201 1.00 0.00 C ATOM 440 CG TRP A 30 -16.559 3.404 2.007 1.00 0.00 C ATOM 441 CD1 TRP A 30 -17.481 3.991 2.826 1.00 0.00 C ATOM 442 CD2 TRP A 30 -16.355 4.310 0.917 1.00 0.00 C ATOM 443 NE1 TRP A 30 -17.861 5.208 2.313 1.00 0.00 N ATOM 444 CE2 TRP A 30 -17.184 5.426 1.141 1.00 0.00 C ATOM 445 CE3 TRP A 30 -15.551 4.285 -0.225 1.00 0.00 C ATOM 446 CZ2 TRP A 30 -17.230 6.505 0.263 1.00 0.00 C ATOM 447 CZ3 TRP A 30 -15.598 5.357 -1.096 1.00 0.00 C ATOM 448 CH2 TRP A 30 -16.433 6.454 -0.848 1.00 0.00 C ATOM 0 H TRP A 30 -15.229 -0.228 1.591 1.00 0.00 H new ATOM 0 HA TRP A 30 -17.302 0.826 3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.325 2.094 3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.180 1.913 1.393 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.857 3.561 3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.536 5.845 2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -14.904 3.443 -0.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -17.872 7.353 0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -14.981 5.349 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -16.448 7.276 -1.548 1.00 0.00 H new ATOM 459 N LEU A 31 -17.695 0.986 -0.033 1.00 0.00 N ATOM 460 CA LEU A 31 -18.682 1.179 -1.086 1.00 0.00 C ATOM 461 C LEU A 31 -19.811 0.159 -0.981 1.00 0.00 C ATOM 462 O LEU A 31 -20.937 0.424 -1.398 1.00 0.00 O ATOM 463 CB LEU A 31 -18.017 1.097 -2.459 1.00 0.00 C ATOM 464 CG LEU A 31 -17.458 2.422 -2.976 1.00 0.00 C ATOM 465 CD1 LEU A 31 -16.545 2.186 -4.165 1.00 0.00 C ATOM 466 CD2 LEU A 31 -18.593 3.364 -3.352 1.00 0.00 C ATOM 0 H LEU A 31 -16.764 0.741 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.115 2.172 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.207 0.369 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.744 0.719 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.873 2.885 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.156 3.140 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.716 1.545 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.106 1.703 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.180 4.304 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.202 2.907 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.211 3.557 -2.475 1.00 0.00 H new ATOM 478 N ASN A 32 -19.504 -1.010 -0.425 1.00 0.00 N ATOM 479 CA ASN A 32 -20.504 -2.060 -0.266 1.00 0.00 C ATOM 480 C ASN A 32 -21.504 -1.694 0.826 1.00 0.00 C ATOM 481 O ASN A 32 -22.564 -2.308 0.943 1.00 0.00 O ATOM 482 CB ASN A 32 -19.835 -3.396 0.067 1.00 0.00 C ATOM 483 CG ASN A 32 -19.026 -3.942 -1.092 1.00 0.00 C ATOM 484 OD1 ASN A 32 -17.997 -4.719 -0.778 1.00 0.00 O flip ATOM 485 ND2 ASN A 32 -19.325 -3.673 -2.256 1.00 0.00 N flip ATOM 0 H ASN A 32 -18.576 -1.253 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 32 -21.039 -2.160 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.184 -3.268 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.599 -4.122 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.125 -3.071 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.773 -4.052 -3.025 1.00 0.00 H new ATOM 492 N LYS A 33 -21.157 -0.686 1.623 1.00 0.00 N ATOM 493 CA LYS A 33 -22.022 -0.234 2.708 1.00 0.00 C ATOM 494 C LYS A 33 -22.976 0.857 2.231 1.00 0.00 C ATOM 495 O LYS A 33 -24.181 0.791 2.477 1.00 0.00 O ATOM 496 CB LYS A 33 -21.177 0.280 3.879 1.00 0.00 C ATOM 497 CG LYS A 33 -21.997 0.741 5.076 1.00 0.00 C ATOM 498 CD LYS A 33 -22.274 2.236 5.025 1.00 0.00 C ATOM 499 CE LYS A 33 -23.258 2.658 6.104 1.00 0.00 C ATOM 500 NZ LYS A 33 -24.595 2.033 5.911 1.00 0.00 N ATOM 0 H LYS A 33 -20.283 -0.167 1.537 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.617 -1.084 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.498 -0.511 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.560 1.109 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.941 0.197 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -21.465 0.501 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.340 2.784 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.672 2.500 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -22.865 2.380 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -23.360 3.743 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -25.309 2.569 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -24.839 2.041 4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -24.572 1.051 6.254 1.00 0.00 H new ATOM 514 N ARG A 34 -22.431 1.860 1.548 1.00 0.00 N ATOM 515 CA ARG A 34 -23.238 2.966 1.044 1.00 0.00 C ATOM 516 C ARG A 34 -24.038 2.543 -0.184 1.00 0.00 C ATOM 517 O ARG A 34 -25.217 2.874 -0.310 1.00 0.00 O ATOM 518 CB ARG A 34 -22.351 4.169 0.709 1.00 0.00 C ATOM 519 CG ARG A 34 -21.218 3.854 -0.256 1.00 0.00 C ATOM 520 CD ARG A 34 -20.446 5.109 -0.629 1.00 0.00 C ATOM 521 NE ARG A 34 -21.291 6.086 -1.313 1.00 0.00 N ATOM 522 CZ ARG A 34 -20.819 7.139 -1.973 1.00 0.00 C ATOM 523 NH1 ARG A 34 -19.511 7.354 -2.039 1.00 0.00 N ATOM 524 NH2 ARG A 34 -21.655 7.979 -2.568 1.00 0.00 N ATOM 0 H ARG A 34 -21.437 1.929 1.332 1.00 0.00 H new ATOM 0 HA ARG A 34 -23.939 3.255 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -22.971 4.956 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -21.928 4.564 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -20.542 3.130 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -21.622 3.392 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -20.027 5.559 0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -19.607 4.842 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 34 -22.302 5.952 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.865 6.710 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.152 8.163 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -22.661 7.817 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.292 8.787 -3.074 1.00 0.00 H new ATOM 538 N LYS A 35 -23.387 1.810 -1.084 1.00 0.00 N ATOM 539 CA LYS A 35 -24.032 1.333 -2.302 1.00 0.00 C ATOM 540 C LYS A 35 -24.641 2.489 -3.091 1.00 0.00 C ATOM 541 O LYS A 35 -25.841 2.775 -2.894 1.00 0.00 O ATOM 542 CB LYS A 35 -25.110 0.305 -1.954 1.00 0.00 C ATOM 543 CG LYS A 35 -24.605 -0.817 -1.061 1.00 0.00 C ATOM 544 CD LYS A 35 -25.746 -1.671 -0.533 1.00 0.00 C ATOM 545 CE LYS A 35 -26.353 -2.537 -1.626 1.00 0.00 C ATOM 546 NZ LYS A 35 -27.468 -3.379 -1.111 1.00 0.00 N ATOM 547 OXT LYS A 35 -23.911 3.101 -3.899 1.00 0.00 O ATOM 0 H LYS A 35 -22.410 1.533 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 35 -23.274 0.861 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -25.938 0.811 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.505 -0.123 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -23.910 -1.443 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.049 -0.394 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -25.382 -2.306 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -26.516 -1.027 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.720 -1.901 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -25.581 -3.178 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -27.855 -3.954 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -27.113 -4.004 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -28.216 -2.767 -0.727 1.00 0.00 H new TER 561 LYS A 35