USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00636 X(o=-0.0064,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.414 -9.521 2.862 1.00 21.43 N ATOM 2 CA GLY A 1 -11.535 -8.329 2.039 1.00 54.20 C ATOM 3 C GLY A 1 -12.940 -7.734 2.138 1.00 2.14 C ATOM 4 O GLY A 1 -13.759 -7.915 1.238 1.00 33.32 O ATOM 0 H1 GLY A 1 -10.451 -9.905 2.777 1.00 21.43 H new ATOM 0 H2 GLY A 1 -11.603 -9.278 3.855 1.00 21.43 H new ATOM 0 H3 GLY A 1 -12.101 -10.234 2.543 1.00 21.43 H new ATOM 0 HA2 GLY A 1 -10.800 -7.589 2.355 1.00 54.20 H new ATOM 0 HA3 GLY A 1 -11.313 -8.576 1.001 1.00 54.20 H new ATOM 8 N ILE A 2 -13.176 -7.036 3.238 1.00 23.34 N ATOM 9 CA ILE A 2 -14.469 -6.413 3.467 1.00 2.24 C ATOM 10 C ILE A 2 -14.485 -5.027 2.817 1.00 44.32 C ATOM 11 O ILE A 2 -13.433 -4.485 2.478 1.00 32.23 O ATOM 12 CB ILE A 2 -14.800 -6.396 4.960 1.00 5.34 C ATOM 13 CG1 ILE A 2 -13.815 -5.512 5.730 1.00 0.13 C ATOM 14 CG2 ILE A 2 -14.858 -7.816 5.526 1.00 40.32 C ATOM 15 CD1 ILE A 2 -14.478 -4.203 6.164 1.00 0.43 C ATOM 0 H ILE A 2 -12.494 -6.888 3.981 1.00 23.34 H new ATOM 0 HA ILE A 2 -15.261 -6.996 2.996 1.00 2.24 H new ATOM 0 HB ILE A 2 -15.791 -5.959 5.085 1.00 5.34 H new ATOM 0 HG12 ILE A 2 -13.449 -6.047 6.607 1.00 0.13 H new ATOM 0 HG13 ILE A 2 -12.949 -5.295 5.104 1.00 0.13 H new ATOM 0 HG21 ILE A 2 -15.095 -7.775 6.589 1.00 40.32 H new ATOM 0 HG22 ILE A 2 -15.628 -8.384 5.004 1.00 40.32 H new ATOM 0 HG23 ILE A 2 -13.892 -8.302 5.388 1.00 40.32 H new ATOM 0 HD11 ILE A 2 -13.757 -3.593 6.709 1.00 0.43 H new ATOM 0 HD12 ILE A 2 -14.821 -3.660 5.284 1.00 0.43 H new ATOM 0 HD13 ILE A 2 -15.329 -4.422 6.809 1.00 0.43 H new ATOM 27 N GLY A 3 -15.687 -4.493 2.665 1.00 75.10 N ATOM 28 CA GLY A 3 -15.853 -3.182 2.062 1.00 53.42 C ATOM 29 C GLY A 3 -16.527 -2.212 3.035 1.00 61.55 C ATOM 30 O GLY A 3 -17.631 -2.473 3.511 1.00 31.23 O ATOM 0 H GLY A 3 -16.556 -4.945 2.949 1.00 75.10 H new ATOM 0 HA2 GLY A 3 -14.881 -2.788 1.766 1.00 53.42 H new ATOM 0 HA3 GLY A 3 -16.452 -3.268 1.155 1.00 53.42 H new ATOM 34 N ALA A 4 -15.835 -1.116 3.303 1.00 2.34 N ATOM 35 CA ALA A 4 -16.352 -0.106 4.211 1.00 73.31 C ATOM 36 C ALA A 4 -17.724 0.362 3.717 1.00 63.34 C ATOM 37 O ALA A 4 -18.752 -0.054 4.249 1.00 34.24 O ATOM 38 CB ALA A 4 -15.349 1.044 4.322 1.00 35.11 C ATOM 0 H ALA A 4 -14.919 -0.904 2.907 1.00 2.34 H new ATOM 0 HA ALA A 4 -16.484 -0.520 5.211 1.00 73.31 H new ATOM 0 HB1 ALA A 4 -15.737 1.801 5.003 1.00 35.11 H new ATOM 0 HB2 ALA A 4 -14.401 0.665 4.704 1.00 35.11 H new ATOM 0 HB3 ALA A 4 -15.193 1.487 3.338 1.00 35.11 H new ATOM 44 N PHE A 5 -17.693 1.220 2.709 1.00 11.23 N ATOM 45 CA PHE A 5 -18.920 1.749 2.139 1.00 35.43 C ATOM 46 C PHE A 5 -19.388 0.896 0.958 1.00 51.42 C ATOM 47 O PHE A 5 -20.514 0.401 0.952 1.00 52.23 O ATOM 48 CB PHE A 5 -18.611 3.162 1.642 1.00 13.21 C ATOM 49 CG PHE A 5 -19.846 3.954 1.209 1.00 71.02 C ATOM 50 CD1 PHE A 5 -20.483 4.761 2.099 1.00 23.23 C ATOM 51 CD2 PHE A 5 -20.307 3.851 -0.066 1.00 51.31 C ATOM 52 CE1 PHE A 5 -21.630 5.496 1.697 1.00 0.41 C ATOM 53 CE2 PHE A 5 -21.454 4.587 -0.468 1.00 73.14 C ATOM 54 CZ PHE A 5 -22.090 5.393 0.422 1.00 20.31 C ATOM 0 H PHE A 5 -16.837 1.562 2.272 1.00 11.23 H new ATOM 0 HA PHE A 5 -19.710 1.747 2.890 1.00 35.43 H new ATOM 0 HB2 PHE A 5 -18.099 3.710 2.433 1.00 13.21 H new ATOM 0 HB3 PHE A 5 -17.920 3.097 0.801 1.00 13.21 H new ATOM 0 HD1 PHE A 5 -20.117 4.843 3.112 1.00 23.23 H new ATOM 0 HD2 PHE A 5 -19.801 3.210 -0.773 1.00 51.31 H new ATOM 0 HE1 PHE A 5 -22.136 6.136 2.404 1.00 0.41 H new ATOM 0 HE2 PHE A 5 -21.820 4.506 -1.481 1.00 73.14 H new ATOM 0 HZ PHE A 5 -22.962 5.952 0.116 1.00 20.31 H new ATOM 64 N GLY A 6 -18.499 0.752 -0.014 1.00 55.00 N ATOM 65 CA GLY A 6 -18.806 -0.032 -1.199 1.00 70.44 C ATOM 66 C GLY A 6 -17.546 -0.295 -2.025 1.00 43.21 C ATOM 67 O GLY A 6 -16.701 -1.100 -1.637 1.00 64.30 O ATOM 0 H GLY A 6 -17.566 1.165 -0.005 1.00 55.00 H new ATOM 0 HA2 GLY A 6 -19.257 -0.980 -0.905 1.00 70.44 H new ATOM 0 HA3 GLY A 6 -19.541 0.495 -1.808 1.00 70.44 H new ATOM 71 N LEU A 7 -17.459 0.400 -3.150 1.00 53.34 N ATOM 72 CA LEU A 7 -16.315 0.253 -4.034 1.00 72.31 C ATOM 73 C LEU A 7 -15.264 1.307 -3.682 1.00 21.14 C ATOM 74 O LEU A 7 -14.071 1.091 -3.886 1.00 65.22 O ATOM 75 CB LEU A 7 -16.761 0.292 -5.497 1.00 21.13 C ATOM 76 CG LEU A 7 -16.112 -0.737 -6.425 1.00 44.21 C ATOM 77 CD1 LEU A 7 -16.986 -1.986 -6.554 1.00 21.14 C ATOM 78 CD2 LEU A 7 -15.787 -0.121 -7.787 1.00 21.24 C ATOM 0 H LEU A 7 -18.162 1.066 -3.470 1.00 53.34 H new ATOM 0 HA LEU A 7 -15.847 -0.721 -3.893 1.00 72.31 H new ATOM 0 HB2 LEU A 7 -17.841 0.151 -5.530 1.00 21.13 H new ATOM 0 HB3 LEU A 7 -16.557 1.287 -5.892 1.00 21.13 H new ATOM 0 HG LEU A 7 -15.167 -1.049 -5.981 1.00 44.21 H new ATOM 0 HD11 LEU A 7 -16.502 -2.702 -7.219 1.00 21.14 H new ATOM 0 HD12 LEU A 7 -17.122 -2.438 -5.572 1.00 21.14 H new ATOM 0 HD13 LEU A 7 -17.957 -1.710 -6.964 1.00 21.14 H new ATOM 0 HD21 LEU A 7 -15.327 -0.874 -8.426 1.00 21.24 H new ATOM 0 HD22 LEU A 7 -16.705 0.238 -8.252 1.00 21.24 H new ATOM 0 HD23 LEU A 7 -15.097 0.713 -7.654 1.00 21.24 H new ATOM 90 N LEU A 8 -15.746 2.426 -3.161 1.00 62.45 N ATOM 91 CA LEU A 8 -14.863 3.514 -2.778 1.00 12.02 C ATOM 92 C LEU A 8 -13.979 3.063 -1.613 1.00 71.10 C ATOM 93 O LEU A 8 -12.854 3.537 -1.463 1.00 30.03 O ATOM 94 CB LEU A 8 -15.670 4.781 -2.483 1.00 52.44 C ATOM 95 CG LEU A 8 -15.035 6.099 -2.930 1.00 22.50 C ATOM 96 CD1 LEU A 8 -13.641 6.270 -2.322 1.00 32.41 C ATOM 97 CD2 LEU A 8 -15.012 6.207 -4.456 1.00 41.13 C ATOM 0 H LEU A 8 -16.737 2.602 -2.995 1.00 62.45 H new ATOM 0 HA LEU A 8 -14.198 3.772 -3.602 1.00 12.02 H new ATOM 0 HB2 LEU A 8 -16.644 4.688 -2.964 1.00 52.44 H new ATOM 0 HB3 LEU A 8 -15.849 4.832 -1.409 1.00 52.44 H new ATOM 0 HG LEU A 8 -15.651 6.918 -2.559 1.00 22.50 H new ATOM 0 HD11 LEU A 8 -13.212 7.215 -2.656 1.00 32.41 H new ATOM 0 HD12 LEU A 8 -13.716 6.269 -1.235 1.00 32.41 H new ATOM 0 HD13 LEU A 8 -13.001 5.448 -2.642 1.00 32.41 H new ATOM 0 HD21 LEU A 8 -14.556 7.153 -4.747 1.00 41.13 H new ATOM 0 HD22 LEU A 8 -14.433 5.382 -4.870 1.00 41.13 H new ATOM 0 HD23 LEU A 8 -16.031 6.163 -4.839 1.00 41.13 H new ATOM 109 N GLY A 9 -14.522 2.153 -0.818 1.00 55.10 N ATOM 110 CA GLY A 9 -13.797 1.633 0.329 1.00 53.24 C ATOM 111 C GLY A 9 -12.874 0.483 -0.082 1.00 23.14 C ATOM 112 O GLY A 9 -11.873 0.218 0.583 1.00 72.03 O ATOM 0 H GLY A 9 -15.456 1.762 -0.945 1.00 55.10 H new ATOM 0 HA2 GLY A 9 -13.210 2.430 0.785 1.00 53.24 H new ATOM 0 HA3 GLY A 9 -14.503 1.286 1.083 1.00 53.24 H new ATOM 116 N PHE A 10 -13.244 -0.169 -1.175 1.00 44.04 N ATOM 117 CA PHE A 10 -12.462 -1.284 -1.681 1.00 2.42 C ATOM 118 C PHE A 10 -11.041 -0.841 -2.037 1.00 12.42 C ATOM 119 O PHE A 10 -10.080 -1.569 -1.795 1.00 75.33 O ATOM 120 CB PHE A 10 -13.161 -1.781 -2.948 1.00 42.44 C ATOM 121 CG PHE A 10 -12.747 -3.192 -3.373 1.00 21.12 C ATOM 122 CD1 PHE A 10 -11.447 -3.461 -3.666 1.00 10.31 C ATOM 123 CD2 PHE A 10 -13.680 -4.177 -3.459 1.00 33.40 C ATOM 124 CE1 PHE A 10 -11.063 -4.769 -4.061 1.00 71.00 C ATOM 125 CE2 PHE A 10 -13.298 -5.486 -3.853 1.00 55.31 C ATOM 126 CZ PHE A 10 -11.997 -5.755 -4.147 1.00 65.32 C ATOM 0 H PHE A 10 -14.075 0.054 -1.724 1.00 44.04 H new ATOM 0 HA PHE A 10 -12.391 -2.063 -0.922 1.00 2.42 H new ATOM 0 HB2 PHE A 10 -14.239 -1.762 -2.787 1.00 42.44 H new ATOM 0 HB3 PHE A 10 -12.948 -1.090 -3.763 1.00 42.44 H new ATOM 0 HD1 PHE A 10 -10.706 -2.679 -3.598 1.00 10.31 H new ATOM 0 HD2 PHE A 10 -14.713 -3.963 -3.227 1.00 33.40 H new ATOM 0 HE1 PHE A 10 -10.030 -4.982 -4.293 1.00 71.00 H new ATOM 0 HE2 PHE A 10 -14.040 -6.268 -3.919 1.00 55.31 H new ATOM 0 HZ PHE A 10 -11.706 -6.750 -4.448 1.00 65.32 H new ATOM 136 N LEU A 11 -10.954 0.353 -2.606 1.00 50.21 N ATOM 137 CA LEU A 11 -9.667 0.902 -2.998 1.00 41.41 C ATOM 138 C LEU A 11 -8.894 1.323 -1.747 1.00 23.22 C ATOM 139 O LEU A 11 -7.712 1.012 -1.609 1.00 43.33 O ATOM 140 CB LEU A 11 -9.853 2.030 -4.014 1.00 10.35 C ATOM 141 CG LEU A 11 -10.255 1.601 -5.427 1.00 1.43 C ATOM 142 CD1 LEU A 11 -9.021 1.311 -6.283 1.00 13.24 C ATOM 143 CD2 LEU A 11 -11.217 0.413 -5.386 1.00 70.21 C ATOM 0 H LEU A 11 -11.753 0.955 -2.805 1.00 50.21 H new ATOM 0 HA LEU A 11 -9.068 0.144 -3.503 1.00 41.41 H new ATOM 0 HB2 LEU A 11 -10.612 2.713 -3.633 1.00 10.35 H new ATOM 0 HB3 LEU A 11 -8.921 2.592 -4.078 1.00 10.35 H new ATOM 0 HG LEU A 11 -10.786 2.428 -5.898 1.00 1.43 H new ATOM 0 HD11 LEU A 11 -9.334 1.008 -7.282 1.00 13.24 H new ATOM 0 HD12 LEU A 11 -8.407 2.209 -6.352 1.00 13.24 H new ATOM 0 HD13 LEU A 11 -8.441 0.509 -5.826 1.00 13.24 H new ATOM 0 HD21 LEU A 11 -11.487 0.128 -6.403 1.00 70.21 H new ATOM 0 HD22 LEU A 11 -10.735 -0.429 -4.889 1.00 70.21 H new ATOM 0 HD23 LEU A 11 -12.116 0.692 -4.837 1.00 70.21 H new ATOM 155 N ALA A 12 -9.593 2.025 -0.867 1.00 62.55 N ATOM 156 CA ALA A 12 -8.988 2.491 0.369 1.00 71.03 C ATOM 157 C ALA A 12 -8.390 1.300 1.121 1.00 3.13 C ATOM 158 O ALA A 12 -7.410 1.449 1.848 1.00 1.34 O ATOM 159 CB ALA A 12 -10.032 3.239 1.199 1.00 20.42 C ATOM 0 H ALA A 12 -10.573 2.282 -0.986 1.00 62.55 H new ATOM 0 HA ALA A 12 -8.177 3.189 0.159 1.00 71.03 H new ATOM 0 HB1 ALA A 12 -9.578 3.588 2.126 1.00 20.42 H new ATOM 0 HB2 ALA A 12 -10.403 4.093 0.633 1.00 20.42 H new ATOM 0 HB3 ALA A 12 -10.860 2.570 1.431 1.00 20.42 H new ATOM 165 N ALA A 13 -9.007 0.144 0.919 1.00 41.42 N ATOM 166 CA ALA A 13 -8.548 -1.071 1.569 1.00 45.14 C ATOM 167 C ALA A 13 -7.164 -1.442 1.031 1.00 31.34 C ATOM 168 O ALA A 13 -6.274 -1.811 1.795 1.00 23.40 O ATOM 169 CB ALA A 13 -9.574 -2.185 1.353 1.00 23.01 C ATOM 0 H ALA A 13 -9.820 0.024 0.315 1.00 41.42 H new ATOM 0 HA ALA A 13 -8.454 -0.918 2.644 1.00 45.14 H new ATOM 0 HB1 ALA A 13 -9.229 -3.097 1.841 1.00 23.01 H new ATOM 0 HB2 ALA A 13 -10.532 -1.885 1.779 1.00 23.01 H new ATOM 0 HB3 ALA A 13 -9.693 -2.368 0.285 1.00 23.01 H new ATOM 175 N GLY A 14 -7.026 -1.329 -0.282 1.00 71.03 N ATOM 176 CA GLY A 14 -5.766 -1.648 -0.932 1.00 31.23 C ATOM 177 C GLY A 14 -4.686 -0.629 -0.563 1.00 24.10 C ATOM 178 O GLY A 14 -3.513 -0.980 -0.441 1.00 4.52 O ATOM 0 H GLY A 14 -7.766 -1.021 -0.913 1.00 71.03 H new ATOM 0 HA2 GLY A 14 -5.444 -2.647 -0.639 1.00 31.23 H new ATOM 0 HA3 GLY A 14 -5.904 -1.662 -2.013 1.00 31.23 H new ATOM 182 N SER A 15 -5.120 0.611 -0.395 1.00 20.43 N ATOM 183 CA SER A 15 -4.205 1.683 -0.042 1.00 71.14 C ATOM 184 C SER A 15 -3.492 1.352 1.271 1.00 64.31 C ATOM 185 O SER A 15 -2.415 1.878 1.547 1.00 25.41 O ATOM 186 CB SER A 15 -4.941 3.020 0.076 1.00 71.22 C ATOM 187 OG SER A 15 -4.080 4.127 -0.174 1.00 12.13 O ATOM 0 H SER A 15 -6.094 0.898 -0.497 1.00 20.43 H new ATOM 0 HA SER A 15 -3.465 1.776 -0.837 1.00 71.14 H new ATOM 0 HB2 SER A 15 -5.772 3.040 -0.630 1.00 71.22 H new ATOM 0 HB3 SER A 15 -5.369 3.112 1.074 1.00 71.22 H new ATOM 0 HG SER A 15 -4.587 4.961 -0.091 1.00 12.13 H new ATOM 193 N LYS A 16 -4.123 0.482 2.046 1.00 51.14 N ATOM 194 CA LYS A 16 -3.563 0.073 3.323 1.00 3.34 C ATOM 195 C LYS A 16 -2.172 -0.524 3.098 1.00 2.32 C ATOM 196 O LYS A 16 -1.195 -0.073 3.694 1.00 11.33 O ATOM 197 CB LYS A 16 -4.524 -0.866 4.054 1.00 45.02 C ATOM 198 CG LYS A 16 -5.815 -0.140 4.436 1.00 22.34 C ATOM 199 CD LYS A 16 -5.920 0.033 5.953 1.00 43.41 C ATOM 200 CE LYS A 16 -7.351 -0.211 6.435 1.00 2.45 C ATOM 201 NZ LYS A 16 -7.395 -0.273 7.914 1.00 31.23 N ATOM 0 H LYS A 16 -5.017 0.049 1.814 1.00 51.14 H new ATOM 0 HA LYS A 16 -3.438 0.936 3.977 1.00 3.34 H new ATOM 0 HB2 LYS A 16 -4.757 -1.720 3.418 1.00 45.02 H new ATOM 0 HB3 LYS A 16 -4.044 -1.258 4.951 1.00 45.02 H new ATOM 0 HG2 LYS A 16 -5.844 0.836 3.952 1.00 22.34 H new ATOM 0 HG3 LYS A 16 -6.674 -0.702 4.070 1.00 22.34 H new ATOM 0 HD2 LYS A 16 -5.242 -0.661 6.450 1.00 43.41 H new ATOM 0 HD3 LYS A 16 -5.606 1.039 6.230 1.00 43.41 H new ATOM 0 HE2 LYS A 16 -8.002 0.587 6.079 1.00 2.45 H new ATOM 0 HE3 LYS A 16 -7.729 -1.143 6.014 1.00 2.45 H new ATOM 0 HZ1 LYS A 16 -8.373 -0.439 8.226 1.00 31.23 H new ATOM 0 HZ2 LYS A 16 -6.789 -1.050 8.247 1.00 31.23 H new ATOM 0 HZ3 LYS A 16 -7.054 0.626 8.309 1.00 31.23 H new ATOM 214 N LYS A 17 -2.127 -1.528 2.236 1.00 41.04 N ATOM 215 CA LYS A 17 -0.872 -2.192 1.925 1.00 22.10 C ATOM 216 C LYS A 17 -0.242 -1.532 0.697 1.00 22.42 C ATOM 217 O LYS A 17 0.822 -0.921 0.792 1.00 64.45 O ATOM 218 CB LYS A 17 -1.086 -3.699 1.771 1.00 30.23 C ATOM 219 CG LYS A 17 -1.269 -4.369 3.134 1.00 51.41 C ATOM 220 CD LYS A 17 -1.316 -5.892 2.994 1.00 24.22 C ATOM 221 CE LYS A 17 -0.386 -6.565 4.006 1.00 33.53 C ATOM 222 NZ LYS A 17 -0.017 -7.923 3.547 1.00 0.03 N ATOM 0 H LYS A 17 -2.939 -1.898 1.743 1.00 41.04 H new ATOM 0 HA LYS A 17 -0.166 -2.077 2.748 1.00 22.10 H new ATOM 0 HB2 LYS A 17 -1.963 -3.884 1.150 1.00 30.23 H new ATOM 0 HB3 LYS A 17 -0.232 -4.140 1.256 1.00 30.23 H new ATOM 0 HG2 LYS A 17 -0.450 -4.086 3.795 1.00 51.41 H new ATOM 0 HG3 LYS A 17 -2.190 -4.014 3.597 1.00 51.41 H new ATOM 0 HD2 LYS A 17 -2.337 -6.243 3.144 1.00 24.22 H new ATOM 0 HD3 LYS A 17 -1.026 -6.177 1.983 1.00 24.22 H new ATOM 0 HE2 LYS A 17 0.513 -5.963 4.139 1.00 33.53 H new ATOM 0 HE3 LYS A 17 -0.877 -6.624 4.977 1.00 33.53 H new ATOM 0 HZ1 LYS A 17 0.614 -8.366 4.245 1.00 0.03 H new ATOM 0 HZ2 LYS A 17 -0.876 -8.500 3.442 1.00 0.03 H new ATOM 0 HZ3 LYS A 17 0.471 -7.859 2.631 1.00 0.03 H new HETATM 235 C1 ACA A 18 -1.172 -3.031 -7.611 1.00 22.40 C HETATM 236 O1 ACA A 18 -0.540 -3.999 -7.193 1.00 71.52 O HETATM 237 C2 ACA A 18 -1.722 -2.466 -6.358 1.00 35.31 C HETATM 238 C3 ACA A 18 -0.719 -2.624 -5.214 1.00 61.21 C HETATM 239 C4 ACA A 18 -1.108 -1.751 -4.019 1.00 20.24 C HETATM 240 C5 ACA A 18 -0.352 -2.175 -2.759 1.00 61.13 C HETATM 241 C6 ACA A 18 -0.446 -1.101 -1.674 1.00 15.32 C HETATM 242 N6 ACA A 18 -0.925 -1.676 -0.429 1.00 70.43 N HETATM 0 H62 ACA A 18 0.532 -0.646 -1.519 1.00 15.32 H new HETATM 0 H61 ACA A 18 -1.119 -0.307 -1.997 1.00 15.32 H new HETATM 0 H52 ACA A 18 -0.762 -3.113 -2.383 1.00 61.13 H new HETATM 0 H51 ACA A 18 0.694 -2.359 -3.003 1.00 61.13 H new HETATM 0 H42 ACA A 18 -0.892 -0.706 -4.242 1.00 20.24 H new HETATM 0 H41 ACA A 18 -2.182 -1.825 -3.845 1.00 20.24 H new HETATM 0 H32 ACA A 18 -0.674 -3.669 -4.906 1.00 61.21 H new HETATM 0 H31 ACA A 18 0.278 -2.351 -5.559 1.00 61.21 H new HETATM 0 H22 ACA A 18 -1.957 -1.411 -6.500 1.00 35.31 H new HETATM 0 H21 ACA A 18 -2.655 -2.969 -6.104 1.00 35.31 H new ATOM 254 N LYS A 19 -2.082 -3.086 -8.572 1.00 33.31 N ATOM 255 CA LYS A 19 -2.408 -4.344 -9.223 1.00 64.14 C ATOM 256 C LYS A 19 -1.878 -4.324 -10.657 1.00 61.43 C ATOM 257 O LYS A 19 -0.732 -4.694 -10.905 1.00 2.01 O ATOM 258 CB LYS A 19 -3.909 -4.625 -9.124 1.00 15.14 C ATOM 259 CG LYS A 19 -4.273 -5.920 -9.854 1.00 62.41 C ATOM 260 CD LYS A 19 -5.125 -6.829 -8.964 1.00 0.45 C ATOM 261 CE LYS A 19 -4.280 -7.457 -7.854 1.00 53.14 C ATOM 262 NZ LYS A 19 -5.139 -8.205 -6.909 1.00 34.25 N ATOM 0 HA LYS A 19 -1.918 -5.175 -8.715 1.00 64.14 H new ATOM 0 HB2 LYS A 19 -4.200 -4.699 -8.076 1.00 15.14 H new ATOM 0 HB3 LYS A 19 -4.468 -3.793 -9.552 1.00 15.14 H new ATOM 0 HG2 LYS A 19 -4.818 -5.686 -10.768 1.00 62.41 H new ATOM 0 HG3 LYS A 19 -3.364 -6.443 -10.150 1.00 62.41 H new ATOM 0 HD2 LYS A 19 -5.940 -6.254 -8.524 1.00 0.45 H new ATOM 0 HD3 LYS A 19 -5.579 -7.614 -9.569 1.00 0.45 H new ATOM 0 HE2 LYS A 19 -3.538 -8.127 -8.289 1.00 53.14 H new ATOM 0 HE3 LYS A 19 -3.734 -6.679 -7.321 1.00 53.14 H new ATOM 0 HZ1 LYS A 19 -4.550 -8.625 -6.162 1.00 34.25 H new ATOM 0 HZ2 LYS A 19 -5.831 -7.557 -6.481 1.00 34.25 H new ATOM 0 HZ3 LYS A 19 -5.641 -8.960 -7.419 1.00 34.25 H new ATOM 275 N ASN A 20 -2.738 -3.888 -11.566 1.00 24.01 N ATOM 276 CA ASN A 20 -2.372 -3.815 -12.970 1.00 41.12 C ATOM 277 C ASN A 20 -1.885 -2.401 -13.292 1.00 45.25 C ATOM 278 O ASN A 20 -2.164 -1.460 -12.550 1.00 44.01 O ATOM 279 CB ASN A 20 -3.570 -4.119 -13.869 1.00 33.32 C ATOM 280 CG ASN A 20 -3.662 -5.616 -14.173 1.00 33.24 C ATOM 281 OD1 ASN A 20 -2.723 -6.239 -14.640 1.00 32.45 O ATOM 282 ND2 ASN A 20 -4.844 -6.155 -13.886 1.00 45.30 N ATOM 0 H ASN A 20 -3.688 -3.581 -11.357 1.00 24.01 H new ATOM 0 HA ASN A 20 -1.589 -4.551 -13.153 1.00 41.12 H new ATOM 0 HB2 ASN A 20 -4.487 -3.786 -13.383 1.00 33.32 H new ATOM 0 HB3 ASN A 20 -3.481 -3.560 -14.800 1.00 33.32 H new ATOM 0 HD21 ASN A 20 -5.007 -7.148 -14.055 1.00 45.30 H new ATOM 0 HD22 ASN A 20 -5.588 -5.576 -13.497 1.00 45.30 H new ATOM 289 N GLU A 21 -1.167 -2.294 -14.400 1.00 51.13 N ATOM 290 CA GLU A 21 -0.638 -1.011 -14.830 1.00 23.44 C ATOM 291 C GLU A 21 -1.782 -0.062 -15.193 1.00 12.13 C ATOM 292 O GLU A 21 -1.620 1.156 -15.153 1.00 5.41 O ATOM 293 CB GLU A 21 0.327 -1.180 -16.004 1.00 52.40 C ATOM 294 CG GLU A 21 -0.424 -1.562 -17.281 1.00 41.04 C ATOM 295 CD GLU A 21 0.402 -2.527 -18.135 1.00 40.31 C ATOM 296 OE1 GLU A 21 1.129 -3.371 -17.590 1.00 64.41 O ATOM 297 OE2 GLU A 21 0.269 -2.379 -19.409 1.00 32.53 O ATOM 0 H GLU A 21 -0.939 -3.076 -15.014 1.00 51.13 H new ATOM 0 HA GLU A 21 -0.077 -0.575 -14.003 1.00 23.44 H new ATOM 0 HB2 GLU A 21 0.876 -0.252 -16.165 1.00 52.40 H new ATOM 0 HB3 GLU A 21 1.063 -1.949 -15.767 1.00 52.40 H new ATOM 0 HG2 GLU A 21 -1.377 -2.024 -17.022 1.00 41.04 H new ATOM 0 HG3 GLU A 21 -0.651 -0.664 -17.856 1.00 41.04 H new ATOM 305 N GLN A 22 -2.914 -0.656 -15.542 1.00 61.04 N ATOM 306 CA GLN A 22 -4.085 0.121 -15.912 1.00 14.11 C ATOM 307 C GLN A 22 -4.214 1.349 -15.009 1.00 41.23 C ATOM 308 O GLN A 22 -4.516 2.444 -15.482 1.00 62.43 O ATOM 309 CB GLN A 22 -5.351 -0.735 -15.858 1.00 33.33 C ATOM 310 CG GLN A 22 -6.239 -0.478 -17.078 1.00 62.44 C ATOM 311 CD GLN A 22 -7.675 -0.163 -16.654 1.00 62.22 C ATOM 312 OE1 GLN A 22 -8.054 0.978 -16.450 1.00 55.52 O ATOM 313 NE2 GLN A 22 -8.451 -1.237 -16.533 1.00 75.10 N ATOM 0 H GLN A 22 -3.045 -1.667 -15.576 1.00 61.04 H new ATOM 0 HA GLN A 22 -3.961 0.462 -16.940 1.00 14.11 H new ATOM 0 HB2 GLN A 22 -5.080 -1.790 -15.817 1.00 33.33 H new ATOM 0 HB3 GLN A 22 -5.906 -0.513 -14.946 1.00 33.33 H new ATOM 0 HG2 GLN A 22 -5.836 0.353 -17.657 1.00 62.44 H new ATOM 0 HG3 GLN A 22 -6.232 -1.353 -17.728 1.00 62.44 H new ATOM 0 HE21 GLN A 22 -8.070 -2.165 -16.719 1.00 75.10 H new ATOM 0 HE22 GLN A 22 -9.427 -1.132 -16.254 1.00 75.10 H new ATOM 322 N GLU A 23 -3.980 1.127 -13.724 1.00 43.25 N ATOM 323 CA GLU A 23 -4.066 2.201 -12.749 1.00 34.13 C ATOM 324 C GLU A 23 -2.956 3.227 -12.991 1.00 62.41 C ATOM 325 O GLU A 23 -3.221 4.425 -13.076 1.00 31.43 O ATOM 326 CB GLU A 23 -4.006 1.653 -11.323 1.00 22.53 C ATOM 327 CG GLU A 23 -4.687 2.608 -10.339 1.00 54.22 C ATOM 328 CD GLU A 23 -4.067 2.495 -8.946 1.00 51.42 C ATOM 329 OE1 GLU A 23 -4.479 1.637 -8.152 1.00 64.43 O ATOM 330 OE2 GLU A 23 -3.121 3.337 -8.699 1.00 33.30 O ATOM 0 H GLU A 23 -3.731 0.218 -13.335 1.00 43.25 H new ATOM 0 HA GLU A 23 -5.028 2.700 -12.870 1.00 34.13 H new ATOM 0 HB2 GLU A 23 -4.491 0.678 -11.284 1.00 22.53 H new ATOM 0 HB3 GLU A 23 -2.967 1.504 -11.030 1.00 22.53 H new ATOM 0 HG2 GLU A 23 -4.596 3.633 -10.699 1.00 54.22 H new ATOM 0 HG3 GLU A 23 -5.752 2.382 -10.286 1.00 54.22 H new ATOM 338 N LEU A 24 -1.737 2.719 -13.094 1.00 63.52 N ATOM 339 CA LEU A 24 -0.587 3.576 -13.323 1.00 43.24 C ATOM 340 C LEU A 24 -0.959 4.662 -14.334 1.00 24.10 C ATOM 341 O LEU A 24 -0.892 5.851 -14.025 1.00 75.42 O ATOM 342 CB LEU A 24 0.629 2.742 -13.735 1.00 31.23 C ATOM 343 CG LEU A 24 1.420 2.101 -12.593 1.00 12.41 C ATOM 344 CD1 LEU A 24 2.214 3.155 -11.817 1.00 75.21 C ATOM 345 CD2 LEU A 24 0.504 1.286 -11.680 1.00 73.22 C ATOM 0 H LEU A 24 -1.521 1.725 -13.023 1.00 63.52 H new ATOM 0 HA LEU A 24 -0.300 4.083 -12.402 1.00 43.24 H new ATOM 0 HB2 LEU A 24 0.292 1.952 -14.406 1.00 31.23 H new ATOM 0 HB3 LEU A 24 1.305 3.379 -14.306 1.00 31.23 H new ATOM 0 HG LEU A 24 2.142 1.408 -13.025 1.00 12.41 H new ATOM 0 HD11 LEU A 24 2.767 2.673 -11.011 1.00 75.21 H new ATOM 0 HD12 LEU A 24 2.913 3.653 -12.490 1.00 75.21 H new ATOM 0 HD13 LEU A 24 1.528 3.891 -11.397 1.00 75.21 H new ATOM 0 HD21 LEU A 24 1.092 0.842 -10.877 1.00 73.22 H new ATOM 0 HD22 LEU A 24 -0.258 1.938 -11.253 1.00 73.22 H new ATOM 0 HD23 LEU A 24 0.024 0.496 -12.258 1.00 73.22 H new ATOM 357 N LEU A 25 -1.342 4.215 -15.521 1.00 71.22 N ATOM 358 CA LEU A 25 -1.725 5.134 -16.578 1.00 54.33 C ATOM 359 C LEU A 25 -2.644 6.214 -16.003 1.00 40.43 C ATOM 360 O LEU A 25 -2.462 7.398 -16.277 1.00 1.33 O ATOM 361 CB LEU A 25 -2.335 4.372 -17.756 1.00 73.43 C ATOM 362 CG LEU A 25 -1.437 3.321 -18.413 1.00 1.32 C ATOM 363 CD1 LEU A 25 0.035 3.728 -18.328 1.00 21.01 C ATOM 364 CD2 LEU A 25 -1.684 1.936 -17.812 1.00 13.21 C ATOM 0 H LEU A 25 -1.395 3.228 -15.774 1.00 71.22 H new ATOM 0 HA LEU A 25 -0.847 5.642 -16.976 1.00 54.33 H new ATOM 0 HB2 LEU A 25 -3.245 3.880 -17.413 1.00 73.43 H new ATOM 0 HB3 LEU A 25 -2.631 5.095 -18.516 1.00 73.43 H new ATOM 0 HG LEU A 25 -1.695 3.264 -19.470 1.00 1.32 H new ATOM 0 HD11 LEU A 25 0.652 2.964 -18.802 1.00 21.01 H new ATOM 0 HD12 LEU A 25 0.179 4.680 -18.839 1.00 21.01 H new ATOM 0 HD13 LEU A 25 0.324 3.830 -17.282 1.00 21.01 H new ATOM 0 HD21 LEU A 25 -1.033 1.208 -18.296 1.00 13.21 H new ATOM 0 HD22 LEU A 25 -1.470 1.960 -16.743 1.00 13.21 H new ATOM 0 HD23 LEU A 25 -2.725 1.652 -17.967 1.00 13.21 H new ATOM 376 N GLU A 26 -3.610 5.765 -15.216 1.00 61.32 N ATOM 377 CA GLU A 26 -4.558 6.678 -14.599 1.00 55.44 C ATOM 378 C GLU A 26 -3.816 7.752 -13.801 1.00 64.43 C ATOM 379 O GLU A 26 -4.202 8.920 -13.817 1.00 63.13 O ATOM 380 CB GLU A 26 -5.549 5.922 -13.713 1.00 20.23 C ATOM 381 CG GLU A 26 -6.857 6.703 -13.564 1.00 13.00 C ATOM 382 CD GLU A 26 -7.808 6.000 -12.593 1.00 55.41 C ATOM 383 OE1 GLU A 26 -8.708 5.267 -13.029 1.00 12.13 O ATOM 384 OE2 GLU A 26 -7.586 6.237 -11.345 1.00 51.24 O ATOM 0 H GLU A 26 -3.757 4.781 -14.991 1.00 61.32 H new ATOM 0 HA GLU A 26 -5.128 7.168 -15.388 1.00 55.44 H new ATOM 0 HB2 GLU A 26 -5.753 4.942 -14.144 1.00 20.23 H new ATOM 0 HB3 GLU A 26 -5.108 5.753 -12.731 1.00 20.23 H new ATOM 0 HG2 GLU A 26 -6.644 7.710 -13.205 1.00 13.00 H new ATOM 0 HG3 GLU A 26 -7.336 6.806 -14.538 1.00 13.00 H new ATOM 392 N LEU A 27 -2.765 7.318 -13.120 1.00 2.14 N ATOM 393 CA LEU A 27 -1.967 8.228 -12.316 1.00 43.32 C ATOM 394 C LEU A 27 -1.079 9.069 -13.236 1.00 21.40 C ATOM 395 O LEU A 27 -0.715 10.193 -12.894 1.00 52.31 O ATOM 396 CB LEU A 27 -1.190 7.457 -11.247 1.00 42.41 C ATOM 397 CG LEU A 27 -2.030 6.790 -10.156 1.00 72.21 C ATOM 398 CD1 LEU A 27 -1.917 7.552 -8.835 1.00 24.15 C ATOM 399 CD2 LEU A 27 -3.484 6.633 -10.604 1.00 74.34 C ATOM 0 H LEU A 27 -2.448 6.349 -13.109 1.00 2.14 H new ATOM 0 HA LEU A 27 -2.610 8.921 -11.772 1.00 43.32 H new ATOM 0 HB2 LEU A 27 -0.596 6.688 -11.742 1.00 42.41 H new ATOM 0 HB3 LEU A 27 -0.490 8.143 -10.770 1.00 42.41 H new ATOM 0 HG LEU A 27 -1.635 5.788 -9.985 1.00 72.21 H new ATOM 0 HD11 LEU A 27 -2.523 7.057 -8.076 1.00 24.15 H new ATOM 0 HD12 LEU A 27 -0.876 7.569 -8.513 1.00 24.15 H new ATOM 0 HD13 LEU A 27 -2.271 8.574 -8.973 1.00 24.15 H new ATOM 0 HD21 LEU A 27 -4.060 6.156 -9.811 1.00 74.34 H new ATOM 0 HD22 LEU A 27 -3.906 7.614 -10.819 1.00 74.34 H new ATOM 0 HD23 LEU A 27 -3.524 6.016 -11.502 1.00 74.34 H new ATOM 411 N ASP A 28 -0.758 8.492 -14.384 1.00 53.12 N ATOM 412 CA ASP A 28 0.081 9.175 -15.355 1.00 72.31 C ATOM 413 C ASP A 28 -0.632 10.439 -15.838 1.00 33.21 C ATOM 414 O ASP A 28 0.004 11.357 -16.354 1.00 63.02 O ATOM 415 CB ASP A 28 0.347 8.287 -16.572 1.00 13.15 C ATOM 416 CG ASP A 28 1.702 8.507 -17.249 1.00 64.55 C ATOM 417 OD1 ASP A 28 2.404 7.546 -17.598 1.00 72.32 O ATOM 418 OD2 ASP A 28 2.036 9.741 -17.415 1.00 22.50 O ATOM 0 H ASP A 28 -1.063 7.560 -14.664 1.00 53.12 H new ATOM 0 HA ASP A 28 1.027 9.419 -14.872 1.00 72.31 H new ATOM 0 HB2 ASP A 28 0.277 7.244 -16.264 1.00 13.15 H new ATOM 0 HB3 ASP A 28 -0.441 8.457 -17.306 1.00 13.15 H new ATOM 424 N LYS A 29 -1.944 10.447 -15.655 1.00 62.22 N ATOM 425 CA LYS A 29 -2.751 11.584 -16.065 1.00 30.21 C ATOM 426 C LYS A 29 -2.610 12.703 -15.032 1.00 23.21 C ATOM 427 O LYS A 29 -3.198 13.772 -15.186 1.00 1.44 O ATOM 428 CB LYS A 29 -4.199 11.153 -16.311 1.00 41.52 C ATOM 429 CG LYS A 29 -4.426 10.813 -17.786 1.00 1.15 C ATOM 430 CD LYS A 29 -3.662 9.549 -18.181 1.00 13.53 C ATOM 431 CE LYS A 29 -4.211 8.961 -19.483 1.00 64.04 C ATOM 432 NZ LYS A 29 -5.121 7.831 -19.197 1.00 33.34 N ATOM 0 H LYS A 29 -2.469 9.684 -15.228 1.00 62.22 H new ATOM 0 HA LYS A 29 -2.395 11.980 -17.016 1.00 30.21 H new ATOM 0 HB2 LYS A 29 -4.434 10.286 -15.694 1.00 41.52 H new ATOM 0 HB3 LYS A 29 -4.876 11.952 -16.010 1.00 41.52 H new ATOM 0 HG2 LYS A 29 -5.491 10.671 -17.970 1.00 1.15 H new ATOM 0 HG3 LYS A 29 -4.103 11.647 -18.409 1.00 1.15 H new ATOM 0 HD2 LYS A 29 -2.604 9.782 -18.301 1.00 13.53 H new ATOM 0 HD3 LYS A 29 -3.738 8.810 -17.384 1.00 13.53 H new ATOM 0 HE2 LYS A 29 -4.743 9.732 -20.041 1.00 64.04 H new ATOM 0 HE3 LYS A 29 -3.388 8.622 -20.112 1.00 64.04 H new ATOM 0 HZ1 LYS A 29 -5.485 7.443 -20.091 1.00 33.34 H new ATOM 0 HZ2 LYS A 29 -4.603 7.090 -18.683 1.00 33.34 H new ATOM 0 HZ3 LYS A 29 -5.916 8.164 -18.615 1.00 33.34 H new ATOM 445 N TRP A 30 -1.827 12.419 -14.002 1.00 0.53 N ATOM 446 CA TRP A 30 -1.600 13.389 -12.944 1.00 31.40 C ATOM 447 C TRP A 30 -1.421 14.764 -13.592 1.00 72.13 C ATOM 448 O TRP A 30 -2.110 15.717 -13.235 1.00 34.53 O ATOM 449 CB TRP A 30 -0.412 12.981 -12.070 1.00 21.13 C ATOM 450 CG TRP A 30 -0.789 12.090 -10.885 1.00 74.53 C ATOM 451 CD1 TRP A 30 -0.231 10.929 -10.515 1.00 10.32 C ATOM 452 CD2 TRP A 30 -1.837 12.335 -9.923 1.00 4.41 C ATOM 453 NE1 TRP A 30 -0.839 10.411 -9.390 1.00 3.42 N ATOM 454 CE2 TRP A 30 -1.847 11.293 -9.018 1.00 10.12 C ATOM 455 CE3 TRP A 30 -2.746 13.402 -9.821 1.00 3.14 C ATOM 456 CZ2 TRP A 30 -2.745 11.217 -7.948 1.00 64.51 C ATOM 457 CZ3 TRP A 30 -3.637 13.311 -8.745 1.00 60.40 C ATOM 458 CH2 TRP A 30 -3.660 12.269 -7.826 1.00 22.34 C ATOM 0 H TRP A 30 -1.342 11.531 -13.877 1.00 0.53 H new ATOM 0 HA TRP A 30 -2.456 13.430 -12.270 1.00 31.40 H new ATOM 0 HB2 TRP A 30 0.318 12.457 -12.688 1.00 21.13 H new ATOM 0 HB3 TRP A 30 0.076 13.881 -11.694 1.00 21.13 H new ATOM 0 HD1 TRP A 30 0.592 10.458 -11.033 1.00 10.32 H new ATOM 0 HE1 TRP A 30 -0.594 9.541 -8.918 1.00 3.42 H new ATOM 0 HE3 TRP A 30 -2.756 14.227 -10.518 1.00 3.14 H new ATOM 0 HZ2 TRP A 30 -2.733 10.390 -7.253 1.00 64.51 H new ATOM 0 HZ3 TRP A 30 -4.357 14.106 -8.620 1.00 60.40 H new ATOM 0 HH2 TRP A 30 -4.380 12.271 -7.021 1.00 22.34 H new ATOM 469 N ALA A 31 -0.491 14.821 -14.534 1.00 32.03 N ATOM 470 CA ALA A 31 -0.212 16.063 -15.235 1.00 74.30 C ATOM 471 C ALA A 31 -1.428 16.452 -16.078 1.00 24.41 C ATOM 472 O ALA A 31 -1.765 17.630 -16.182 1.00 40.21 O ATOM 473 CB ALA A 31 1.054 15.900 -16.079 1.00 74.32 C ATOM 0 H ALA A 31 0.079 14.028 -14.828 1.00 32.03 H new ATOM 0 HA ALA A 31 -0.030 16.871 -14.526 1.00 74.30 H new ATOM 0 HB1 ALA A 31 1.263 16.832 -16.605 1.00 74.32 H new ATOM 0 HB2 ALA A 31 1.894 15.653 -15.430 1.00 74.32 H new ATOM 0 HB3 ALA A 31 0.907 15.099 -16.804 1.00 74.32 H new ATOM 479 N SER A 32 -2.055 15.438 -16.658 1.00 25.12 N ATOM 480 CA SER A 32 -3.227 15.659 -17.489 1.00 65.21 C ATOM 481 C SER A 32 -4.187 16.624 -16.791 1.00 21.31 C ATOM 482 O SER A 32 -4.981 17.298 -17.447 1.00 5.32 O ATOM 483 CB SER A 32 -3.935 14.340 -17.804 1.00 21.11 C ATOM 484 OG SER A 32 -4.670 14.408 -19.023 1.00 55.42 O ATOM 0 H SER A 32 -1.773 14.462 -16.569 1.00 25.12 H new ATOM 0 HA SER A 32 -2.901 16.099 -18.432 1.00 65.21 H new ATOM 0 HB2 SER A 32 -3.198 13.539 -17.869 1.00 21.11 H new ATOM 0 HB3 SER A 32 -4.610 14.087 -16.987 1.00 21.11 H new ATOM 0 HG SER A 32 -5.106 13.547 -19.190 1.00 55.42 H new ATOM 490 N LEU A 33 -4.086 16.659 -15.470 1.00 53.41 N ATOM 491 CA LEU A 33 -4.936 17.529 -14.677 1.00 20.44 C ATOM 492 C LEU A 33 -4.490 18.981 -14.866 1.00 32.24 C ATOM 493 O LEU A 33 -5.260 19.813 -15.345 1.00 24.32 O ATOM 494 CB LEU A 33 -4.952 17.077 -13.215 1.00 51.44 C ATOM 495 CG LEU A 33 -6.307 16.626 -12.667 1.00 11.23 C ATOM 496 CD1 LEU A 33 -7.435 17.518 -13.191 1.00 5.50 C ATOM 497 CD2 LEU A 33 -6.557 15.148 -12.971 1.00 25.34 C ATOM 0 H LEU A 33 -3.428 16.098 -14.929 1.00 53.41 H new ATOM 0 HA LEU A 33 -5.969 17.465 -15.018 1.00 20.44 H new ATOM 0 HB2 LEU A 33 -4.245 16.255 -13.102 1.00 51.44 H new ATOM 0 HB3 LEU A 33 -4.588 17.898 -12.598 1.00 51.44 H new ATOM 0 HG LEU A 33 -6.289 16.733 -11.582 1.00 11.23 H new ATOM 0 HD11 LEU A 33 -8.387 17.176 -12.786 1.00 5.50 H new ATOM 0 HD12 LEU A 33 -7.258 18.548 -12.881 1.00 5.50 H new ATOM 0 HD13 LEU A 33 -7.464 17.467 -14.279 1.00 5.50 H new ATOM 0 HD21 LEU A 33 -7.527 14.853 -12.571 1.00 25.34 H new ATOM 0 HD22 LEU A 33 -6.547 14.992 -14.050 1.00 25.34 H new ATOM 0 HD23 LEU A 33 -5.775 14.544 -12.510 1.00 25.34 H new ATOM 509 N TRP A 34 -3.251 19.241 -14.480 1.00 50.44 N ATOM 510 CA TRP A 34 -2.693 20.577 -14.601 1.00 13.32 C ATOM 511 C TRP A 34 -1.578 20.532 -15.649 1.00 40.11 C ATOM 512 O TRP A 34 -1.622 21.257 -16.640 1.00 34.15 O ATOM 513 CB TRP A 34 -2.217 21.099 -13.245 1.00 64.32 C ATOM 514 CG TRP A 34 -1.032 20.327 -12.662 1.00 75.00 C ATOM 515 CD1 TRP A 34 -1.059 19.276 -11.831 1.00 31.41 C ATOM 516 CD2 TRP A 34 0.367 20.590 -12.902 1.00 61.40 C ATOM 517 NE1 TRP A 34 0.214 18.844 -11.520 1.00 65.13 N ATOM 518 CE2 TRP A 34 1.108 19.669 -12.191 1.00 52.35 C ATOM 519 CE3 TRP A 34 0.985 21.574 -13.693 1.00 12.24 C ATOM 520 CZ2 TRP A 34 2.508 19.641 -12.201 1.00 53.01 C ATOM 521 CZ3 TRP A 34 2.384 21.533 -13.692 1.00 35.14 C ATOM 522 CH2 TRP A 34 3.145 20.612 -12.982 1.00 51.54 C ATOM 0 H TRP A 34 -2.616 18.549 -14.083 1.00 50.44 H new ATOM 0 HA TRP A 34 -3.455 21.283 -14.933 1.00 13.32 H new ATOM 0 HB2 TRP A 34 -1.939 22.148 -13.348 1.00 64.32 H new ATOM 0 HB3 TRP A 34 -3.047 21.057 -12.540 1.00 64.32 H new ATOM 0 HD1 TRP A 34 -1.964 18.824 -11.452 1.00 31.41 H new ATOM 0 HE1 TRP A 34 0.454 18.063 -10.910 1.00 65.13 H new ATOM 0 HE3 TRP A 34 0.424 22.304 -14.257 1.00 12.24 H new ATOM 0 HZ2 TRP A 34 3.066 18.909 -11.636 1.00 53.01 H new ATOM 0 HZ3 TRP A 34 2.909 22.268 -14.284 1.00 35.14 H new ATOM 0 HH2 TRP A 34 4.223 20.645 -13.033 1.00 51.54 H new ATOM 533 N ASN A 35 -0.604 19.671 -15.392 1.00 54.04 N ATOM 534 CA ASN A 35 0.521 19.521 -16.299 1.00 33.34 C ATOM 535 C ASN A 35 1.024 20.905 -16.713 1.00 40.34 C ATOM 536 O ASN A 35 2.231 21.129 -16.800 1.00 21.15 O ATOM 537 CB ASN A 35 0.109 18.770 -17.567 1.00 41.21 C ATOM 538 CG ASN A 35 1.022 19.132 -18.740 1.00 2.02 C ATOM 539 OD1 ASN A 35 2.206 19.381 -18.585 1.00 51.42 O ATOM 540 ND2 ASN A 35 0.407 19.149 -19.919 1.00 23.32 N ATOM 0 H ASN A 35 -0.571 19.070 -14.568 1.00 54.04 H new ATOM 0 HA ASN A 35 1.299 18.958 -15.782 1.00 33.34 H new ATOM 0 HB2 ASN A 35 0.151 17.696 -17.387 1.00 41.21 H new ATOM 0 HB3 ASN A 35 -0.924 19.012 -17.818 1.00 41.21 H new ATOM 0 HD21 ASN A 35 0.930 19.381 -20.764 1.00 23.32 H new ATOM 0 HD22 ASN A 35 -0.588 18.930 -19.979 1.00 23.32 H new TER 547 ASN A 35