USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 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+ -111:sc= 0.0642 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.386 (180deg=-1.58!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.087 (180deg=-0.531) USER MOD Single : A 20 ASN : amide:sc= -0.22 K(o=-0.22,f=-6.6!) USER MOD Single : A 22 GLN : amide:sc= -2.26 K(o=-2.3,f=-1.7) 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= -1.43 K(o=-1.4,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.239 -8.090 4.518 1.00 4.44 N ATOM 2 CA GLY A 1 -11.972 -6.948 5.036 1.00 33.42 C ATOM 3 C GLY A 1 -12.520 -6.086 3.896 1.00 71.22 C ATOM 4 O GLY A 1 -11.974 -6.086 2.795 1.00 53.44 O ATOM 0 H1 GLY A 1 -11.768 -8.962 4.720 1.00 4.44 H new ATOM 0 H2 GLY A 1 -11.119 -7.988 3.490 1.00 4.44 H new ATOM 0 H3 GLY A 1 -10.305 -8.138 4.973 1.00 4.44 H new ATOM 0 HA2 GLY A 1 -12.794 -7.293 5.664 1.00 33.42 H new ATOM 0 HA3 GLY A 1 -11.318 -6.348 5.669 1.00 33.42 H new ATOM 8 N ILE A 2 -13.594 -5.373 4.201 1.00 30.42 N ATOM 9 CA ILE A 2 -14.223 -4.509 3.215 1.00 21.05 C ATOM 10 C ILE A 2 -14.353 -3.097 3.791 1.00 4.02 C ATOM 11 O ILE A 2 -14.553 -2.929 4.993 1.00 22.43 O ATOM 12 CB ILE A 2 -15.552 -5.107 2.748 1.00 55.52 C ATOM 13 CG1 ILE A 2 -15.426 -6.616 2.530 1.00 20.42 C ATOM 14 CG2 ILE A 2 -16.067 -4.388 1.500 1.00 62.32 C ATOM 15 CD1 ILE A 2 -16.783 -7.235 2.186 1.00 34.12 C ATOM 0 H ILE A 2 -14.045 -5.375 5.116 1.00 30.42 H new ATOM 0 HA ILE A 2 -13.602 -4.435 2.322 1.00 21.05 H new ATOM 0 HB ILE A 2 -16.291 -4.956 3.534 1.00 55.52 H new ATOM 0 HG12 ILE A 2 -14.718 -6.813 1.725 1.00 20.42 H new ATOM 0 HG13 ILE A 2 -15.026 -7.085 3.429 1.00 20.42 H new ATOM 0 HG21 ILE A 2 -17.013 -4.832 1.188 1.00 62.32 H new ATOM 0 HG22 ILE A 2 -16.218 -3.332 1.725 1.00 62.32 H new ATOM 0 HG23 ILE A 2 -15.338 -4.487 0.696 1.00 62.32 H new ATOM 0 HD11 ILE A 2 -16.666 -8.308 2.036 1.00 34.12 H new ATOM 0 HD12 ILE A 2 -17.482 -7.057 3.003 1.00 34.12 H new ATOM 0 HD13 ILE A 2 -17.169 -6.781 1.273 1.00 34.12 H new ATOM 27 N GLY A 3 -14.234 -2.118 2.906 1.00 41.54 N ATOM 28 CA GLY A 3 -14.335 -0.727 3.311 1.00 11.20 C ATOM 29 C GLY A 3 -15.689 -0.443 3.964 1.00 64.03 C ATOM 30 O GLY A 3 -16.316 -1.345 4.519 1.00 34.31 O ATOM 0 H GLY A 3 -14.069 -2.261 1.910 1.00 41.54 H new ATOM 0 HA2 GLY A 3 -13.533 -0.489 4.010 1.00 11.20 H new ATOM 0 HA3 GLY A 3 -14.203 -0.081 2.443 1.00 11.20 H new ATOM 34 N ALA A 4 -16.102 0.813 3.875 1.00 10.45 N ATOM 35 CA ALA A 4 -17.371 1.226 4.452 1.00 53.33 C ATOM 36 C ALA A 4 -18.505 0.436 3.796 1.00 41.41 C ATOM 37 O ALA A 4 -19.034 -0.503 4.389 1.00 33.54 O ATOM 38 CB ALA A 4 -17.540 2.737 4.282 1.00 54.02 C ATOM 0 H ALA A 4 -15.581 1.558 3.412 1.00 10.45 H new ATOM 0 HA ALA A 4 -17.395 1.012 5.521 1.00 53.33 H new ATOM 0 HB1 ALA A 4 -18.491 3.048 4.714 1.00 54.02 H new ATOM 0 HB2 ALA A 4 -16.725 3.254 4.789 1.00 54.02 H new ATOM 0 HB3 ALA A 4 -17.524 2.988 3.221 1.00 54.02 H new ATOM 44 N PHE A 5 -18.844 0.844 2.583 1.00 53.42 N ATOM 45 CA PHE A 5 -19.905 0.186 1.840 1.00 23.03 C ATOM 46 C PHE A 5 -19.337 -0.882 0.903 1.00 25.24 C ATOM 47 O PHE A 5 -19.631 -2.067 1.056 1.00 22.02 O ATOM 48 CB PHE A 5 -20.602 1.262 1.006 1.00 31.03 C ATOM 49 CG PHE A 5 -21.888 0.787 0.326 1.00 10.15 C ATOM 50 CD1 PHE A 5 -23.089 0.979 0.936 1.00 73.55 C ATOM 51 CD2 PHE A 5 -21.830 0.174 -0.886 1.00 24.23 C ATOM 52 CE1 PHE A 5 -24.283 0.538 0.305 1.00 53.22 C ATOM 53 CE2 PHE A 5 -23.023 -0.267 -1.515 1.00 64.53 C ATOM 54 CZ PHE A 5 -24.225 -0.075 -0.907 1.00 61.03 C ATOM 0 H PHE A 5 -18.402 1.623 2.095 1.00 53.42 H new ATOM 0 HA PHE A 5 -20.594 -0.303 2.529 1.00 23.03 H new ATOM 0 HB2 PHE A 5 -20.835 2.111 1.649 1.00 31.03 H new ATOM 0 HB3 PHE A 5 -19.911 1.620 0.243 1.00 31.03 H new ATOM 0 HD1 PHE A 5 -23.135 1.466 1.899 1.00 73.55 H new ATOM 0 HD2 PHE A 5 -20.876 0.023 -1.370 1.00 24.23 H new ATOM 0 HE1 PHE A 5 -25.237 0.690 0.788 1.00 53.22 H new ATOM 0 HE2 PHE A 5 -22.977 -0.755 -2.477 1.00 64.53 H new ATOM 0 HZ PHE A 5 -25.133 -0.409 -1.387 1.00 61.03 H new ATOM 64 N GLY A 6 -18.535 -0.425 -0.047 1.00 75.40 N ATOM 65 CA GLY A 6 -17.924 -1.325 -1.009 1.00 4.22 C ATOM 66 C GLY A 6 -16.922 -0.584 -1.895 1.00 50.04 C ATOM 67 O GLY A 6 -15.730 -0.548 -1.596 1.00 4.55 O ATOM 0 H GLY A 6 -18.294 0.558 -0.171 1.00 75.40 H new ATOM 0 HA2 GLY A 6 -17.420 -2.136 -0.484 1.00 4.22 H new ATOM 0 HA3 GLY A 6 -18.697 -1.779 -1.629 1.00 4.22 H new ATOM 71 N LEU A 7 -17.443 -0.009 -2.969 1.00 74.01 N ATOM 72 CA LEU A 7 -16.608 0.731 -3.902 1.00 4.22 C ATOM 73 C LEU A 7 -16.290 2.106 -3.314 1.00 10.25 C ATOM 74 O LEU A 7 -15.445 2.829 -3.838 1.00 53.44 O ATOM 75 CB LEU A 7 -17.267 0.788 -5.281 1.00 63.34 C ATOM 76 CG LEU A 7 -16.505 1.566 -6.356 1.00 41.32 C ATOM 77 CD1 LEU A 7 -16.706 3.073 -6.188 1.00 53.22 C ATOM 78 CD2 LEU A 7 -15.024 1.181 -6.365 1.00 12.10 C ATOM 0 H LEU A 7 -18.433 -0.040 -3.214 1.00 74.01 H new ATOM 0 HA LEU A 7 -15.657 0.220 -4.051 1.00 4.22 H new ATOM 0 HB2 LEU A 7 -17.414 -0.233 -5.634 1.00 63.34 H new ATOM 0 HB3 LEU A 7 -18.256 1.232 -5.171 1.00 63.34 H new ATOM 0 HG LEU A 7 -16.913 1.294 -7.329 1.00 41.32 H new ATOM 0 HD11 LEU A 7 -16.154 3.602 -6.964 1.00 53.22 H new ATOM 0 HD12 LEU A 7 -17.767 3.310 -6.271 1.00 53.22 H new ATOM 0 HD13 LEU A 7 -16.341 3.382 -5.209 1.00 53.22 H new ATOM 0 HD21 LEU A 7 -14.505 1.748 -7.138 1.00 12.10 H new ATOM 0 HD22 LEU A 7 -14.584 1.405 -5.393 1.00 12.10 H new ATOM 0 HD23 LEU A 7 -14.926 0.115 -6.570 1.00 12.10 H new ATOM 90 N LEU A 8 -16.984 2.428 -2.232 1.00 1.22 N ATOM 91 CA LEU A 8 -16.786 3.704 -1.567 1.00 24.32 C ATOM 92 C LEU A 8 -15.321 3.833 -1.144 1.00 64.21 C ATOM 93 O LEU A 8 -14.847 4.932 -0.864 1.00 14.14 O ATOM 94 CB LEU A 8 -17.777 3.866 -0.412 1.00 10.51 C ATOM 95 CG LEU A 8 -18.490 5.216 -0.324 1.00 2.02 C ATOM 96 CD1 LEU A 8 -17.483 6.365 -0.263 1.00 75.11 C ATOM 97 CD2 LEU A 8 -19.486 5.386 -1.473 1.00 44.11 C ATOM 0 H LEU A 8 -17.685 1.826 -1.799 1.00 1.22 H new ATOM 0 HA LEU A 8 -16.993 4.526 -2.252 1.00 24.32 H new ATOM 0 HB2 LEU A 8 -18.532 3.084 -0.495 1.00 10.51 H new ATOM 0 HB3 LEU A 8 -17.244 3.697 0.524 1.00 10.51 H new ATOM 0 HG LEU A 8 -19.062 5.240 0.604 1.00 2.02 H new ATOM 0 HD11 LEU A 8 -18.017 7.313 -0.201 1.00 75.11 H new ATOM 0 HD12 LEU A 8 -16.849 6.247 0.616 1.00 75.11 H new ATOM 0 HD13 LEU A 8 -16.864 6.355 -1.160 1.00 75.11 H new ATOM 0 HD21 LEU A 8 -19.979 6.354 -1.387 1.00 44.11 H new ATOM 0 HD22 LEU A 8 -18.957 5.332 -2.424 1.00 44.11 H new ATOM 0 HD23 LEU A 8 -20.233 4.593 -1.428 1.00 44.11 H new ATOM 109 N GLY A 9 -14.646 2.693 -1.114 1.00 0.14 N ATOM 110 CA GLY A 9 -13.244 2.665 -0.730 1.00 24.31 C ATOM 111 C GLY A 9 -12.666 1.256 -0.873 1.00 44.02 C ATOM 112 O GLY A 9 -11.989 0.764 0.029 1.00 54.11 O ATOM 0 H GLY A 9 -15.043 1.783 -1.349 1.00 0.14 H new ATOM 0 HA2 GLY A 9 -12.679 3.359 -1.352 1.00 24.31 H new ATOM 0 HA3 GLY A 9 -13.139 3.003 0.301 1.00 24.31 H new ATOM 116 N PHE A 10 -12.953 0.645 -2.013 1.00 64.35 N ATOM 117 CA PHE A 10 -12.470 -0.698 -2.286 1.00 14.11 C ATOM 118 C PHE A 10 -10.951 -0.706 -2.471 1.00 11.03 C ATOM 119 O PHE A 10 -10.270 -1.615 -1.998 1.00 14.35 O ATOM 120 CB PHE A 10 -13.133 -1.156 -3.587 1.00 71.02 C ATOM 121 CG PHE A 10 -12.568 -2.464 -4.146 1.00 31.33 C ATOM 122 CD1 PHE A 10 -11.963 -3.353 -3.314 1.00 41.43 C ATOM 123 CD2 PHE A 10 -12.671 -2.735 -5.474 1.00 44.50 C ATOM 124 CE1 PHE A 10 -11.439 -4.566 -3.833 1.00 3.22 C ATOM 125 CE2 PHE A 10 -12.147 -3.949 -5.993 1.00 53.34 C ATOM 126 CZ PHE A 10 -11.542 -4.839 -5.162 1.00 72.01 C ATOM 0 H PHE A 10 -13.514 1.056 -2.759 1.00 64.35 H new ATOM 0 HA PHE A 10 -12.712 -1.358 -1.453 1.00 14.11 H new ATOM 0 HB2 PHE A 10 -14.202 -1.278 -3.414 1.00 71.02 H new ATOM 0 HB3 PHE A 10 -13.019 -0.373 -4.337 1.00 71.02 H new ATOM 0 HD1 PHE A 10 -11.881 -3.137 -2.259 1.00 41.43 H new ATOM 0 HD2 PHE A 10 -13.151 -2.028 -6.134 1.00 44.50 H new ATOM 0 HE1 PHE A 10 -10.958 -5.273 -3.173 1.00 3.22 H new ATOM 0 HE2 PHE A 10 -12.229 -4.165 -7.048 1.00 53.34 H new ATOM 0 HZ PHE A 10 -11.143 -5.762 -5.557 1.00 72.01 H new ATOM 136 N LEU A 11 -10.465 0.316 -3.160 1.00 42.15 N ATOM 137 CA LEU A 11 -9.040 0.437 -3.414 1.00 51.31 C ATOM 138 C LEU A 11 -8.336 0.897 -2.135 1.00 62.03 C ATOM 139 O LEU A 11 -7.306 0.343 -1.756 1.00 11.25 O ATOM 140 CB LEU A 11 -8.785 1.346 -4.618 1.00 55.40 C ATOM 141 CG LEU A 11 -8.975 0.706 -5.994 1.00 23.14 C ATOM 142 CD1 LEU A 11 -7.975 -0.430 -6.214 1.00 55.51 C ATOM 143 CD2 LEU A 11 -10.420 0.242 -6.187 1.00 42.55 C ATOM 0 H LEU A 11 -11.033 1.068 -3.550 1.00 42.15 H new ATOM 0 HA LEU A 11 -8.617 -0.531 -3.681 1.00 51.31 H new ATOM 0 HB2 LEU A 11 -9.449 2.207 -4.545 1.00 55.40 H new ATOM 0 HB3 LEU A 11 -7.765 1.724 -4.553 1.00 55.40 H new ATOM 0 HG LEU A 11 -8.774 1.462 -6.753 1.00 23.14 H new ATOM 0 HD11 LEU A 11 -8.132 -0.867 -7.200 1.00 55.51 H new ATOM 0 HD12 LEU A 11 -6.960 -0.039 -6.148 1.00 55.51 H new ATOM 0 HD13 LEU A 11 -8.119 -1.195 -5.451 1.00 55.51 H new ATOM 0 HD21 LEU A 11 -10.529 -0.209 -7.173 1.00 42.55 H new ATOM 0 HD22 LEU A 11 -10.672 -0.493 -5.422 1.00 42.55 H new ATOM 0 HD23 LEU A 11 -11.091 1.097 -6.103 1.00 42.55 H new ATOM 155 N ALA A 12 -8.921 1.906 -1.506 1.00 72.04 N ATOM 156 CA ALA A 12 -8.363 2.447 -0.279 1.00 4.33 C ATOM 157 C ALA A 12 -8.137 1.309 0.719 1.00 73.04 C ATOM 158 O ALA A 12 -7.258 1.394 1.574 1.00 72.21 O ATOM 159 CB ALA A 12 -9.295 3.528 0.272 1.00 20.40 C ATOM 0 H ALA A 12 -9.776 2.363 -1.824 1.00 72.04 H new ATOM 0 HA ALA A 12 -7.397 2.915 -0.470 1.00 4.33 H new ATOM 0 HB1 ALA A 12 -8.877 3.934 1.193 1.00 20.40 H new ATOM 0 HB2 ALA A 12 -9.400 4.327 -0.462 1.00 20.40 H new ATOM 0 HB3 ALA A 12 -10.273 3.094 0.478 1.00 20.40 H new ATOM 165 N ALA A 13 -8.946 0.269 0.574 1.00 42.35 N ATOM 166 CA ALA A 13 -8.844 -0.885 1.451 1.00 31.25 C ATOM 167 C ALA A 13 -7.439 -1.480 1.343 1.00 3.13 C ATOM 168 O ALA A 13 -6.832 -1.834 2.353 1.00 14.22 O ATOM 169 CB ALA A 13 -9.935 -1.896 1.093 1.00 31.31 C ATOM 0 H ALA A 13 -9.674 0.202 -0.137 1.00 42.35 H new ATOM 0 HA ALA A 13 -8.999 -0.593 2.490 1.00 31.25 H new ATOM 0 HB1 ALA A 13 -9.859 -2.762 1.751 1.00 31.31 H new ATOM 0 HB2 ALA A 13 -10.914 -1.433 1.215 1.00 31.31 H new ATOM 0 HB3 ALA A 13 -9.810 -2.215 0.058 1.00 31.31 H new ATOM 175 N GLY A 14 -6.963 -1.572 0.111 1.00 43.14 N ATOM 176 CA GLY A 14 -5.641 -2.119 -0.142 1.00 11.00 C ATOM 177 C GLY A 14 -4.550 -1.171 0.362 1.00 63.21 C ATOM 178 O GLY A 14 -3.603 -1.603 1.018 1.00 34.20 O ATOM 0 H GLY A 14 -7.469 -1.277 -0.724 1.00 43.14 H new ATOM 0 HA2 GLY A 14 -5.543 -3.086 0.351 1.00 11.00 H new ATOM 0 HA3 GLY A 14 -5.513 -2.291 -1.211 1.00 11.00 H new ATOM 182 N SER A 15 -4.720 0.101 0.035 1.00 24.31 N ATOM 183 CA SER A 15 -3.762 1.113 0.447 1.00 73.20 C ATOM 184 C SER A 15 -4.043 1.546 1.887 1.00 22.25 C ATOM 185 O SER A 15 -3.407 2.466 2.399 1.00 43.15 O ATOM 186 CB SER A 15 -3.804 2.323 -0.489 1.00 14.35 C ATOM 187 OG SER A 15 -2.564 3.026 -0.509 1.00 41.34 O ATOM 0 H SER A 15 -5.506 0.454 -0.510 1.00 24.31 H new ATOM 0 HA SER A 15 -2.763 0.680 0.394 1.00 73.20 H new ATOM 0 HB2 SER A 15 -4.050 1.992 -1.498 1.00 14.35 H new ATOM 0 HB3 SER A 15 -4.599 2.999 -0.173 1.00 14.35 H new ATOM 0 HG SER A 15 -2.631 3.790 -1.119 1.00 41.34 H new ATOM 193 N LYS A 16 -4.998 0.862 2.501 1.00 61.25 N ATOM 194 CA LYS A 16 -5.371 1.163 3.872 1.00 32.43 C ATOM 195 C LYS A 16 -4.124 1.119 4.757 1.00 71.41 C ATOM 196 O LYS A 16 -4.110 1.691 5.846 1.00 22.41 O ATOM 197 CB LYS A 16 -6.490 0.232 4.340 1.00 24.30 C ATOM 198 CG LYS A 16 -5.930 -1.125 4.771 1.00 23.22 C ATOM 199 CD LYS A 16 -5.610 -1.136 6.268 1.00 72.42 C ATOM 200 CE LYS A 16 -5.888 -2.510 6.878 1.00 1.23 C ATOM 201 NZ LYS A 16 -5.629 -3.579 5.887 1.00 42.41 N ATOM 0 H LYS A 16 -5.524 0.100 2.073 1.00 61.25 H new ATOM 0 HA LYS A 16 -5.777 2.172 3.943 1.00 32.43 H new ATOM 0 HB2 LYS A 16 -7.025 0.690 5.172 1.00 24.30 H new ATOM 0 HB3 LYS A 16 -7.212 0.093 3.536 1.00 24.30 H new ATOM 0 HG2 LYS A 16 -6.652 -1.909 4.544 1.00 23.22 H new ATOM 0 HG3 LYS A 16 -5.028 -1.348 4.201 1.00 23.22 H new ATOM 0 HD2 LYS A 16 -4.564 -0.871 6.422 1.00 72.42 H new ATOM 0 HD3 LYS A 16 -6.208 -0.380 6.777 1.00 72.42 H new ATOM 0 HE2 LYS A 16 -5.259 -2.659 7.755 1.00 1.23 H new ATOM 0 HE3 LYS A 16 -6.923 -2.562 7.216 1.00 1.23 H new ATOM 0 HZ1 LYS A 16 -5.455 -4.477 6.382 1.00 42.41 H new ATOM 0 HZ2 LYS A 16 -6.455 -3.682 5.263 1.00 42.41 H new ATOM 0 HZ3 LYS A 16 -4.795 -3.330 5.318 1.00 42.41 H new ATOM 214 N LYS A 17 -3.106 0.434 4.257 1.00 42.12 N ATOM 215 CA LYS A 17 -1.857 0.307 4.989 1.00 24.21 C ATOM 216 C LYS A 17 -0.778 1.140 4.295 1.00 65.14 C ATOM 217 O LYS A 17 -0.382 2.191 4.796 1.00 62.32 O ATOM 218 CB LYS A 17 -1.483 -1.167 5.158 1.00 4.21 C ATOM 219 CG LYS A 17 -1.300 -1.520 6.636 1.00 72.13 C ATOM 220 CD LYS A 17 -1.612 -2.996 6.890 1.00 34.00 C ATOM 221 CE LYS A 17 -0.713 -3.565 7.989 1.00 12.43 C ATOM 222 NZ LYS A 17 -1.520 -4.299 8.989 1.00 3.51 N ATOM 0 H LYS A 17 -3.121 -0.039 3.353 1.00 42.12 H new ATOM 0 HA LYS A 17 -1.965 0.702 5.999 1.00 24.21 H new ATOM 0 HB2 LYS A 17 -2.261 -1.795 4.724 1.00 4.21 H new ATOM 0 HB3 LYS A 17 -0.562 -1.377 4.613 1.00 4.21 H new ATOM 0 HG2 LYS A 17 -0.276 -1.303 6.941 1.00 72.13 H new ATOM 0 HG3 LYS A 17 -1.953 -0.896 7.246 1.00 72.13 H new ATOM 0 HD2 LYS A 17 -2.658 -3.106 7.177 1.00 34.00 H new ATOM 0 HD3 LYS A 17 -1.472 -3.564 5.970 1.00 34.00 H new ATOM 0 HE2 LYS A 17 0.029 -4.232 7.551 1.00 12.43 H new ATOM 0 HE3 LYS A 17 -0.167 -2.757 8.476 1.00 12.43 H new ATOM 0 HZ1 LYS A 17 -0.895 -4.679 9.728 1.00 3.51 H new ATOM 0 HZ2 LYS A 17 -2.212 -3.652 9.419 1.00 3.51 H new ATOM 0 HZ3 LYS A 17 -2.021 -5.082 8.523 1.00 3.51 H new HETATM 235 C1 ACA A 18 5.498 -0.695 2.592 1.00 24.31 C HETATM 236 O1 ACA A 18 5.065 -1.521 1.789 1.00 71.12 O HETATM 237 C2 ACA A 18 5.416 0.558 1.809 1.00 52.32 C HETATM 238 C3 ACA A 18 4.218 1.395 2.260 1.00 42.41 C HETATM 239 C4 ACA A 18 2.998 1.125 1.378 1.00 74.33 C HETATM 240 C5 ACA A 18 1.900 0.408 2.165 1.00 43.51 C HETATM 241 C6 ACA A 18 0.693 1.323 2.384 1.00 53.15 C HETATM 242 N6 ACA A 18 -0.333 0.638 3.151 1.00 13.34 N HETATM 0 H62 ACA A 18 1.005 2.226 2.908 1.00 53.15 H new HETATM 0 H61 ACA A 18 0.288 1.636 1.422 1.00 53.15 H new HETATM 0 H52 ACA A 18 1.589 -0.488 1.627 1.00 43.51 H new HETATM 0 H51 ACA A 18 2.292 0.082 3.128 1.00 43.51 H new HETATM 0 H42 ACA A 18 2.613 2.066 0.985 1.00 74.33 H new HETATM 0 H41 ACA A 18 3.291 0.518 0.521 1.00 74.33 H new HETATM 0 H32 ACA A 18 3.979 1.164 3.298 1.00 42.41 H new HETATM 0 H31 ACA A 18 4.474 2.454 2.219 1.00 42.41 H new HETATM 0 H22 ACA A 18 6.335 1.131 1.932 1.00 52.32 H new HETATM 0 H21 ACA A 18 5.326 0.325 0.748 1.00 52.32 H new ATOM 254 N LYS A 19 6.652 -0.807 3.233 1.00 34.32 N ATOM 255 CA LYS A 19 7.517 -1.954 3.024 1.00 14.30 C ATOM 256 C LYS A 19 6.986 -3.142 3.829 1.00 22.23 C ATOM 257 O LYS A 19 5.776 -3.305 3.975 1.00 2.45 O ATOM 258 CB LYS A 19 8.970 -1.596 3.343 1.00 62.41 C ATOM 259 CG LYS A 19 9.382 -0.300 2.640 1.00 11.44 C ATOM 260 CD LYS A 19 10.485 0.419 3.419 1.00 11.53 C ATOM 261 CE LYS A 19 11.798 -0.364 3.359 1.00 51.30 C ATOM 262 NZ LYS A 19 12.285 -0.453 1.964 1.00 12.12 N ATOM 0 HA LYS A 19 7.509 -2.250 1.975 1.00 14.30 H new ATOM 0 HB2 LYS A 19 9.093 -1.485 4.420 1.00 62.41 H new ATOM 0 HB3 LYS A 19 9.626 -2.408 3.030 1.00 62.41 H new ATOM 0 HG2 LYS A 19 9.731 -0.524 1.632 1.00 11.44 H new ATOM 0 HG3 LYS A 19 8.516 0.355 2.540 1.00 11.44 H new ATOM 0 HD2 LYS A 19 10.634 1.418 3.008 1.00 11.53 H new ATOM 0 HD3 LYS A 19 10.179 0.544 4.458 1.00 11.53 H new ATOM 0 HE2 LYS A 19 12.548 0.124 3.982 1.00 51.30 H new ATOM 0 HE3 LYS A 19 11.650 -1.365 3.763 1.00 51.30 H new ATOM 0 HZ1 LYS A 19 13.305 -0.655 1.965 1.00 12.12 H new ATOM 0 HZ2 LYS A 19 11.781 -1.216 1.469 1.00 12.12 H new ATOM 0 HZ3 LYS A 19 12.111 0.449 1.477 1.00 12.12 H new ATOM 275 N ASN A 20 7.917 -3.940 4.331 1.00 74.03 N ATOM 276 CA ASN A 20 7.558 -5.107 5.117 1.00 2.23 C ATOM 277 C ASN A 20 6.702 -4.671 6.307 1.00 0.53 C ATOM 278 O ASN A 20 6.874 -3.571 6.830 1.00 11.35 O ATOM 279 CB ASN A 20 8.803 -5.810 5.662 1.00 74.41 C ATOM 280 CG ASN A 20 9.714 -4.821 6.393 1.00 10.13 C ATOM 281 OD1 ASN A 20 9.386 -4.296 7.445 1.00 61.43 O ATOM 282 ND2 ASN A 20 10.873 -4.597 5.780 1.00 23.14 N ATOM 0 H ASN A 20 8.920 -3.801 4.208 1.00 74.03 H new ATOM 0 HA ASN A 20 7.011 -5.793 4.470 1.00 2.23 H new ATOM 0 HB2 ASN A 20 8.506 -6.608 6.342 1.00 74.41 H new ATOM 0 HB3 ASN A 20 9.350 -6.277 4.843 1.00 74.41 H new ATOM 0 HD21 ASN A 20 11.550 -3.953 6.189 1.00 23.14 H new ATOM 0 HD22 ASN A 20 11.085 -5.070 4.901 1.00 23.14 H new ATOM 289 N GLU A 21 5.798 -5.557 6.702 1.00 33.40 N ATOM 290 CA GLU A 21 4.915 -5.276 7.821 1.00 22.34 C ATOM 291 C GLU A 21 5.731 -5.016 9.089 1.00 42.43 C ATOM 292 O GLU A 21 5.335 -4.214 9.933 1.00 3.54 O ATOM 293 CB GLU A 21 3.920 -6.419 8.033 1.00 34.33 C ATOM 294 CG GLU A 21 4.586 -7.603 8.736 1.00 35.33 C ATOM 295 CD GLU A 21 3.565 -8.697 9.053 1.00 10.52 C ATOM 296 OE1 GLU A 21 3.417 -9.088 10.221 1.00 73.21 O ATOM 297 OE2 GLU A 21 2.912 -9.145 8.035 1.00 71.21 O ATOM 0 H GLU A 21 5.659 -6.469 6.267 1.00 33.40 H new ATOM 0 HA GLU A 21 4.343 -4.377 7.591 1.00 22.34 H new ATOM 0 HB2 GLU A 21 3.077 -6.066 8.627 1.00 34.33 H new ATOM 0 HB3 GLU A 21 3.520 -6.741 7.071 1.00 34.33 H new ATOM 0 HG2 GLU A 21 5.375 -8.009 8.103 1.00 35.33 H new ATOM 0 HG3 GLU A 21 5.059 -7.264 9.658 1.00 35.33 H new ATOM 305 N GLN A 22 6.856 -5.712 9.183 1.00 22.51 N ATOM 306 CA GLN A 22 7.730 -5.566 10.334 1.00 42.21 C ATOM 307 C GLN A 22 7.893 -4.088 10.695 1.00 42.24 C ATOM 308 O GLN A 22 7.877 -3.728 11.870 1.00 74.11 O ATOM 309 CB GLN A 22 9.090 -6.220 10.075 1.00 62.41 C ATOM 310 CG GLN A 22 9.012 -7.737 10.261 1.00 53.02 C ATOM 311 CD GLN A 22 8.394 -8.409 9.034 1.00 4.21 C ATOM 312 OE1 GLN A 22 8.951 -8.410 7.948 1.00 64.12 O ATOM 313 NE2 GLN A 22 7.215 -8.979 9.266 1.00 41.32 N ATOM 0 H GLN A 22 7.181 -6.377 8.481 1.00 22.51 H new ATOM 0 HA GLN A 22 7.271 -6.077 11.180 1.00 42.21 H new ATOM 0 HB2 GLN A 22 9.421 -5.991 9.062 1.00 62.41 H new ATOM 0 HB3 GLN A 22 9.833 -5.804 10.755 1.00 62.41 H new ATOM 0 HG2 GLN A 22 10.011 -8.137 10.435 1.00 53.02 H new ATOM 0 HG3 GLN A 22 8.418 -7.968 11.145 1.00 53.02 H new ATOM 0 HE21 GLN A 22 6.805 -8.941 10.199 1.00 41.32 H new ATOM 0 HE22 GLN A 22 6.721 -9.454 8.511 1.00 41.32 H new ATOM 322 N GLU A 23 8.045 -3.273 9.660 1.00 11.34 N ATOM 323 CA GLU A 23 8.210 -1.843 9.854 1.00 32.45 C ATOM 324 C GLU A 23 7.079 -1.291 10.724 1.00 13.14 C ATOM 325 O GLU A 23 7.318 -0.478 11.616 1.00 61.31 O ATOM 326 CB GLU A 23 8.274 -1.112 8.512 1.00 51.45 C ATOM 327 CG GLU A 23 9.268 0.049 8.567 1.00 75.42 C ATOM 328 CD GLU A 23 10.701 -0.461 8.736 1.00 2.33 C ATOM 329 OE1 GLU A 23 10.935 -1.678 8.691 1.00 24.32 O ATOM 330 OE2 GLU A 23 11.589 0.456 8.921 1.00 33.24 O ATOM 0 H GLU A 23 8.057 -3.576 8.686 1.00 11.34 H new ATOM 0 HA GLU A 23 9.155 -1.673 10.370 1.00 32.45 H new ATOM 0 HB2 GLU A 23 8.567 -1.810 7.728 1.00 51.45 H new ATOM 0 HB3 GLU A 23 7.285 -0.736 8.251 1.00 51.45 H new ATOM 0 HG2 GLU A 23 9.194 0.639 7.653 1.00 75.42 H new ATOM 0 HG3 GLU A 23 9.014 0.711 9.395 1.00 75.42 H new ATOM 338 N LEU A 24 5.873 -1.756 10.436 1.00 34.44 N ATOM 339 CA LEU A 24 4.705 -1.318 11.181 1.00 30.32 C ATOM 340 C LEU A 24 4.831 -1.778 12.635 1.00 53.13 C ATOM 341 O LEU A 24 4.485 -1.039 13.556 1.00 73.21 O ATOM 342 CB LEU A 24 3.422 -1.794 10.496 1.00 74.42 C ATOM 343 CG LEU A 24 3.032 -1.053 9.214 1.00 2.23 C ATOM 344 CD1 LEU A 24 2.231 0.211 9.535 1.00 44.41 C ATOM 345 CD2 LEU A 24 4.264 -0.750 8.360 1.00 54.22 C ATOM 0 H LEU A 24 5.679 -2.432 9.697 1.00 34.44 H new ATOM 0 HA LEU A 24 4.648 -0.230 11.193 1.00 30.32 H new ATOM 0 HB2 LEU A 24 3.530 -2.853 10.262 1.00 74.42 H new ATOM 0 HB3 LEU A 24 2.600 -1.707 11.207 1.00 74.42 H new ATOM 0 HG LEU A 24 2.385 -1.704 8.625 1.00 2.23 H new ATOM 0 HD11 LEU A 24 1.966 0.719 8.608 1.00 44.41 H new ATOM 0 HD12 LEU A 24 1.322 -0.061 10.072 1.00 44.41 H new ATOM 0 HD13 LEU A 24 2.833 0.876 10.154 1.00 44.41 H new ATOM 0 HD21 LEU A 24 3.959 -0.223 7.456 1.00 54.22 H new ATOM 0 HD22 LEU A 24 4.956 -0.127 8.927 1.00 54.22 H new ATOM 0 HD23 LEU A 24 4.757 -1.683 8.088 1.00 54.22 H new ATOM 357 N LEU A 25 5.328 -2.996 12.797 1.00 71.44 N ATOM 358 CA LEU A 25 5.505 -3.562 14.122 1.00 63.11 C ATOM 359 C LEU A 25 6.931 -3.287 14.604 1.00 63.24 C ATOM 360 O LEU A 25 7.408 -3.929 15.538 1.00 54.44 O ATOM 361 CB LEU A 25 5.129 -5.046 14.125 1.00 14.25 C ATOM 362 CG LEU A 25 3.861 -5.418 13.355 1.00 41.30 C ATOM 363 CD1 LEU A 25 2.861 -4.260 13.353 1.00 2.12 C ATOM 364 CD2 LEU A 25 4.197 -5.887 11.938 1.00 3.01 C ATOM 0 H LEU A 25 5.614 -3.606 12.031 1.00 71.44 H new ATOM 0 HA LEU A 25 4.831 -3.085 14.833 1.00 63.11 H new ATOM 0 HB2 LEU A 25 5.962 -5.612 13.709 1.00 14.25 H new ATOM 0 HB3 LEU A 25 5.010 -5.368 15.159 1.00 14.25 H new ATOM 0 HG LEU A 25 3.385 -6.254 13.866 1.00 41.30 H new ATOM 0 HD11 LEU A 25 1.969 -4.551 12.799 1.00 2.12 H new ATOM 0 HD12 LEU A 25 2.587 -4.014 14.379 1.00 2.12 H new ATOM 0 HD13 LEU A 25 3.314 -3.389 12.880 1.00 2.12 H new ATOM 0 HD21 LEU A 25 3.278 -6.145 11.413 1.00 3.01 H new ATOM 0 HD22 LEU A 25 4.709 -5.088 11.402 1.00 3.01 H new ATOM 0 HD23 LEU A 25 4.844 -6.763 11.988 1.00 3.01 H new ATOM 376 N GLU A 26 7.570 -2.333 13.945 1.00 62.25 N ATOM 377 CA GLU A 26 8.932 -1.965 14.293 1.00 24.12 C ATOM 378 C GLU A 26 9.013 -1.567 15.769 1.00 3.23 C ATOM 379 O GLU A 26 9.970 -1.916 16.458 1.00 2.21 O ATOM 380 CB GLU A 26 9.443 -0.838 13.393 1.00 2.41 C ATOM 381 CG GLU A 26 10.927 -0.563 13.650 1.00 71.42 C ATOM 382 CD GLU A 26 11.301 0.859 13.226 1.00 70.22 C ATOM 383 OE1 GLU A 26 10.482 1.780 13.355 1.00 22.54 O ATOM 384 OE2 GLU A 26 12.492 0.989 12.748 1.00 33.20 O ATOM 0 H GLU A 26 7.170 -1.803 13.171 1.00 62.25 H new ATOM 0 HA GLU A 26 9.574 -2.832 14.134 1.00 24.12 H new ATOM 0 HB2 GLU A 26 9.295 -1.107 12.347 1.00 2.41 H new ATOM 0 HB3 GLU A 26 8.865 0.068 13.574 1.00 2.41 H new ATOM 0 HG2 GLU A 26 11.148 -0.701 14.708 1.00 71.42 H new ATOM 0 HG3 GLU A 26 11.535 -1.282 13.101 1.00 71.42 H new ATOM 392 N LEU A 27 7.995 -0.844 16.210 1.00 1.12 N ATOM 393 CA LEU A 27 7.938 -0.395 17.592 1.00 62.04 C ATOM 394 C LEU A 27 7.396 -1.526 18.468 1.00 0.43 C ATOM 395 O LEU A 27 7.720 -1.607 19.652 1.00 33.32 O ATOM 396 CB LEU A 27 7.138 0.905 17.701 1.00 55.24 C ATOM 397 CG LEU A 27 7.770 2.137 17.049 1.00 15.55 C ATOM 398 CD1 LEU A 27 8.337 3.087 18.108 1.00 45.34 C ATOM 399 CD2 LEU A 27 8.826 1.732 16.019 1.00 60.12 C ATOM 0 H LEU A 27 7.202 -0.557 15.635 1.00 1.12 H new ATOM 0 HA LEU A 27 8.937 -0.158 17.958 1.00 62.04 H new ATOM 0 HB2 LEU A 27 6.157 0.744 17.253 1.00 55.24 H new ATOM 0 HB3 LEU A 27 6.975 1.121 18.757 1.00 55.24 H new ATOM 0 HG LEU A 27 6.990 2.678 16.514 1.00 15.55 H new ATOM 0 HD11 LEU A 27 8.780 3.954 17.619 1.00 45.34 H new ATOM 0 HD12 LEU A 27 7.535 3.414 18.770 1.00 45.34 H new ATOM 0 HD13 LEU A 27 9.100 2.570 18.690 1.00 45.34 H new ATOM 0 HD21 LEU A 27 9.259 2.626 15.571 1.00 60.12 H new ATOM 0 HD22 LEU A 27 9.610 1.156 16.509 1.00 60.12 H new ATOM 0 HD23 LEU A 27 8.362 1.125 15.242 1.00 60.12 H new ATOM 411 N ASP A 28 6.582 -2.370 17.853 1.00 4.23 N ATOM 412 CA ASP A 28 5.992 -3.493 18.564 1.00 73.34 C ATOM 413 C ASP A 28 7.104 -4.431 19.039 1.00 62.01 C ATOM 414 O ASP A 28 6.902 -5.225 19.956 1.00 23.43 O ATOM 415 CB ASP A 28 5.057 -4.291 17.653 1.00 20.24 C ATOM 416 CG ASP A 28 3.567 -4.142 17.966 1.00 34.40 C ATOM 417 OD1 ASP A 28 3.139 -3.151 18.578 1.00 51.11 O ATOM 418 OD2 ASP A 28 2.822 -5.107 17.547 1.00 10.31 O ATOM 0 H ASP A 28 6.316 -2.300 16.871 1.00 4.23 H new ATOM 0 HA ASP A 28 5.424 -3.099 19.407 1.00 73.34 H new ATOM 0 HB2 ASP A 28 5.229 -3.983 16.622 1.00 20.24 H new ATOM 0 HB3 ASP A 28 5.323 -5.346 17.719 1.00 20.24 H new ATOM 424 N LYS A 29 8.254 -4.308 18.393 1.00 62.00 N ATOM 425 CA LYS A 29 9.398 -5.136 18.737 1.00 32.45 C ATOM 426 C LYS A 29 10.059 -4.581 20.002 1.00 45.31 C ATOM 427 O LYS A 29 11.045 -5.138 20.485 1.00 24.41 O ATOM 428 CB LYS A 29 10.351 -5.255 17.547 1.00 0.51 C ATOM 429 CG LYS A 29 10.039 -6.503 16.718 1.00 72.53 C ATOM 430 CD LYS A 29 8.672 -6.383 16.042 1.00 61.53 C ATOM 431 CE LYS A 29 8.204 -7.738 15.507 1.00 3.30 C ATOM 432 NZ LYS A 29 7.001 -8.197 16.236 1.00 0.03 N ATOM 0 H LYS A 29 8.418 -3.648 17.633 1.00 62.00 H new ATOM 0 HA LYS A 29 9.079 -6.154 18.962 1.00 32.45 H new ATOM 0 HB2 LYS A 29 10.268 -4.367 16.920 1.00 0.51 H new ATOM 0 HB3 LYS A 29 11.380 -5.299 17.903 1.00 0.51 H new ATOM 0 HG2 LYS A 29 10.812 -6.645 15.962 1.00 72.53 H new ATOM 0 HG3 LYS A 29 10.056 -7.384 17.360 1.00 72.53 H new ATOM 0 HD2 LYS A 29 7.943 -5.998 16.754 1.00 61.53 H new ATOM 0 HD3 LYS A 29 8.729 -5.665 15.224 1.00 61.53 H new ATOM 0 HE2 LYS A 29 7.983 -7.658 14.443 1.00 3.30 H new ATOM 0 HE3 LYS A 29 9.002 -8.472 15.613 1.00 3.30 H new ATOM 0 HZ1 LYS A 29 6.697 -9.118 15.860 1.00 0.03 H new ATOM 0 HZ2 LYS A 29 7.223 -8.292 17.247 1.00 0.03 H new ATOM 0 HZ3 LYS A 29 6.235 -7.504 16.114 1.00 0.03 H new ATOM 445 N TRP A 30 9.492 -3.493 20.500 1.00 24.44 N ATOM 446 CA TRP A 30 10.014 -2.858 21.698 1.00 43.10 C ATOM 447 C TRP A 30 10.390 -3.960 22.692 1.00 64.15 C ATOM 448 O TRP A 30 11.491 -3.957 23.239 1.00 3.31 O ATOM 449 CB TRP A 30 9.009 -1.856 22.269 1.00 11.30 C ATOM 450 CG TRP A 30 9.156 -0.440 21.709 1.00 54.55 C ATOM 451 CD1 TRP A 30 8.200 0.349 21.198 1.00 14.41 C ATOM 452 CD2 TRP A 30 10.375 0.329 21.621 1.00 11.42 C ATOM 453 NE1 TRP A 30 8.711 1.564 20.791 1.00 53.15 N ATOM 454 CE2 TRP A 30 10.076 1.551 21.055 1.00 1.12 C ATOM 455 CE3 TRP A 30 11.687 0.000 22.008 1.00 75.53 C ATOM 456 CZ2 TRP A 30 11.035 2.544 20.825 1.00 14.31 C ATOM 457 CZ3 TRP A 30 12.634 1.004 21.771 1.00 62.33 C ATOM 458 CH2 TRP A 30 12.349 2.241 21.202 1.00 62.12 C ATOM 0 H TRP A 30 8.676 -3.034 20.096 1.00 24.44 H new ATOM 0 HA TRP A 30 10.907 -2.277 21.469 1.00 43.10 H new ATOM 0 HB2 TRP A 30 8.000 -2.213 22.065 1.00 11.30 H new ATOM 0 HB3 TRP A 30 9.122 -1.821 23.353 1.00 11.30 H new ATOM 0 HD1 TRP A 30 7.160 0.069 21.115 1.00 14.41 H new ATOM 0 HE1 TRP A 30 8.184 2.331 20.373 1.00 53.15 H new ATOM 0 HE3 TRP A 30 11.943 -0.951 22.452 1.00 75.53 H new ATOM 0 HZ2 TRP A 30 10.775 3.493 20.380 1.00 14.31 H new ATOM 0 HZ3 TRP A 30 13.658 0.804 22.050 1.00 62.33 H new ATOM 0 HH2 TRP A 30 13.137 2.964 21.052 1.00 62.12 H new ATOM 469 N ALA A 31 9.453 -4.876 22.893 1.00 34.13 N ATOM 470 CA ALA A 31 9.672 -5.980 23.810 1.00 2.43 C ATOM 471 C ALA A 31 10.674 -6.959 23.194 1.00 35.43 C ATOM 472 O ALA A 31 11.570 -7.449 23.880 1.00 63.44 O ATOM 473 CB ALA A 31 8.334 -6.645 24.139 1.00 41.14 C ATOM 0 H ALA A 31 8.541 -4.875 22.436 1.00 34.13 H new ATOM 0 HA ALA A 31 10.096 -5.621 24.748 1.00 2.43 H new ATOM 0 HB1 ALA A 31 8.499 -7.474 24.827 1.00 41.14 H new ATOM 0 HB2 ALA A 31 7.669 -5.916 24.602 1.00 41.14 H new ATOM 0 HB3 ALA A 31 7.879 -7.020 23.222 1.00 41.14 H new ATOM 479 N SER A 32 10.488 -7.213 21.907 1.00 4.23 N ATOM 480 CA SER A 32 11.364 -8.124 21.191 1.00 21.00 C ATOM 481 C SER A 32 12.827 -7.789 21.490 1.00 21.23 C ATOM 482 O SER A 32 13.696 -8.655 21.408 1.00 64.34 O ATOM 483 CB SER A 32 11.104 -8.067 19.684 1.00 4.51 C ATOM 484 OG SER A 32 11.887 -9.021 18.971 1.00 52.12 O ATOM 0 H SER A 32 9.744 -6.804 21.342 1.00 4.23 H new ATOM 0 HA SER A 32 11.154 -9.138 21.531 1.00 21.00 H new ATOM 0 HB2 SER A 32 10.047 -8.249 19.491 1.00 4.51 H new ATOM 0 HB3 SER A 32 11.328 -7.066 19.315 1.00 4.51 H new ATOM 0 HG SER A 32 11.691 -8.954 18.013 1.00 52.12 H new ATOM 490 N LEU A 33 13.053 -6.529 21.832 1.00 73.31 N ATOM 491 CA LEU A 33 14.395 -6.068 22.144 1.00 73.13 C ATOM 492 C LEU A 33 15.007 -6.978 23.210 1.00 34.14 C ATOM 493 O LEU A 33 16.060 -7.575 22.992 1.00 43.02 O ATOM 494 CB LEU A 33 14.376 -4.589 22.535 1.00 60.20 C ATOM 495 CG LEU A 33 15.680 -3.820 22.313 1.00 31.33 C ATOM 496 CD1 LEU A 33 15.629 -2.448 22.989 1.00 35.33 C ATOM 497 CD2 LEU A 33 16.886 -4.640 22.773 1.00 63.35 C ATOM 0 H LEU A 33 12.329 -5.813 21.900 1.00 73.31 H new ATOM 0 HA LEU A 33 15.034 -6.133 21.264 1.00 73.13 H new ATOM 0 HB2 LEU A 33 13.585 -4.095 21.971 1.00 60.20 H new ATOM 0 HB3 LEU A 33 14.109 -4.516 23.589 1.00 60.20 H new ATOM 0 HG LEU A 33 15.797 -3.648 21.243 1.00 31.33 H new ATOM 0 HD11 LEU A 33 16.568 -1.922 22.816 1.00 35.33 H new ATOM 0 HD12 LEU A 33 14.806 -1.868 22.572 1.00 35.33 H new ATOM 0 HD13 LEU A 33 15.477 -2.576 24.061 1.00 35.33 H new ATOM 0 HD21 LEU A 33 17.799 -4.070 22.604 1.00 63.35 H new ATOM 0 HD22 LEU A 33 16.790 -4.864 23.835 1.00 63.35 H new ATOM 0 HD23 LEU A 33 16.930 -5.571 22.208 1.00 63.35 H new ATOM 509 N TRP A 34 14.321 -7.055 24.342 1.00 61.13 N ATOM 510 CA TRP A 34 14.784 -7.882 25.443 1.00 22.21 C ATOM 511 C TRP A 34 14.083 -9.239 25.342 1.00 32.14 C ATOM 512 O TRP A 34 14.738 -10.273 25.232 1.00 11.43 O ATOM 513 CB TRP A 34 14.552 -7.188 26.786 1.00 34.30 C ATOM 514 CG TRP A 34 13.091 -6.819 27.052 1.00 24.45 C ATOM 515 CD1 TRP A 34 12.155 -7.551 27.671 1.00 41.43 C ATOM 516 CD2 TRP A 34 12.432 -5.590 26.679 1.00 1.40 C ATOM 517 NE1 TRP A 34 10.946 -6.887 27.725 1.00 44.42 N ATOM 518 CE2 TRP A 34 11.120 -5.657 27.102 1.00 55.42 C ATOM 519 CE3 TRP A 34 12.929 -4.460 26.008 1.00 73.35 C ATOM 520 CZ2 TRP A 34 10.197 -4.625 26.900 1.00 2.02 C ATOM 521 CZ3 TRP A 34 11.992 -3.437 25.813 1.00 51.42 C ATOM 522 CH2 TRP A 34 10.668 -3.489 26.233 1.00 55.33 C ATOM 0 H TRP A 34 13.448 -6.558 24.520 1.00 61.13 H new ATOM 0 HA TRP A 34 15.861 -8.040 25.380 1.00 22.21 H new ATOM 0 HB2 TRP A 34 14.903 -7.840 27.586 1.00 34.30 H new ATOM 0 HB3 TRP A 34 15.158 -6.283 26.825 1.00 34.30 H new ATOM 0 HD1 TRP A 34 12.325 -8.537 28.077 1.00 41.43 H new ATOM 0 HE1 TRP A 34 10.084 -7.235 28.145 1.00 44.42 H new ATOM 0 HE3 TRP A 34 13.952 -4.386 25.670 1.00 73.35 H new ATOM 0 HZ2 TRP A 34 9.175 -4.701 27.241 1.00 2.02 H new ATOM 0 HZ3 TRP A 34 12.321 -2.545 25.300 1.00 51.42 H new ATOM 0 HH2 TRP A 34 10.006 -2.656 26.045 1.00 55.33 H new ATOM 533 N ASN A 35 12.760 -9.189 25.384 1.00 44.42 N ATOM 534 CA ASN A 35 11.962 -10.401 25.299 1.00 72.14 C ATOM 535 C ASN A 35 12.532 -11.305 24.203 1.00 33.24 C ATOM 536 O ASN A 35 11.780 -11.897 23.431 1.00 41.42 O ATOM 537 CB ASN A 35 10.510 -10.081 24.942 1.00 72.04 C ATOM 538 CG ASN A 35 9.651 -11.347 24.952 1.00 64.31 C ATOM 539 OD1 ASN A 35 10.118 -12.444 25.215 1.00 12.12 O ATOM 540 ND2 ASN A 35 8.373 -11.137 24.651 1.00 73.40 N ATOM 0 H ASN A 35 12.220 -8.328 25.476 1.00 44.42 H new ATOM 0 HA ASN A 35 11.993 -10.894 26.270 1.00 72.14 H new ATOM 0 HB2 ASN A 35 10.108 -9.359 25.652 1.00 72.04 H new ATOM 0 HB3 ASN A 35 10.468 -9.616 23.957 1.00 72.04 H new ATOM 0 HD21 ASN A 35 7.719 -11.919 24.630 1.00 73.40 H new ATOM 0 HD22 ASN A 35 8.047 -10.194 24.441 1.00 73.40 H new TER 547 ASN A 35