USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=4 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 Single : A 1 GLY N :NH3+ -104:sc= 0.0669 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= -0.295 (180deg=-1.74!) 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= 0.00605 K(o=0.006,f=-2.3!) USER MOD Single : A 22 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 87:sc= 0.398 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.368 2.580 -7.848 1.00 11.14 N ATOM 2 CA GLY A 1 -24.714 1.220 -7.471 1.00 22.42 C ATOM 3 C GLY A 1 -24.839 1.086 -5.952 1.00 52.12 C ATOM 4 O GLY A 1 -24.253 1.870 -5.206 1.00 5.42 O ATOM 0 H1 GLY A 1 -25.210 3.061 -8.223 1.00 11.14 H new ATOM 0 H2 GLY A 1 -24.019 3.093 -7.014 1.00 11.14 H new ATOM 0 H3 GLY A 1 -23.627 2.560 -8.577 1.00 11.14 H new ATOM 0 HA2 GLY A 1 -25.655 0.936 -7.943 1.00 22.42 H new ATOM 0 HA3 GLY A 1 -23.953 0.532 -7.839 1.00 22.42 H new ATOM 8 N ILE A 2 -25.605 0.088 -5.539 1.00 25.31 N ATOM 9 CA ILE A 2 -25.815 -0.157 -4.122 1.00 5.30 C ATOM 10 C ILE A 2 -24.568 -0.821 -3.534 1.00 61.11 C ATOM 11 O ILE A 2 -24.427 -0.917 -2.316 1.00 51.43 O ATOM 12 CB ILE A 2 -27.099 -0.960 -3.901 1.00 50.04 C ATOM 13 CG1 ILE A 2 -26.937 -2.401 -4.388 1.00 14.44 C ATOM 14 CG2 ILE A 2 -28.298 -0.266 -4.554 1.00 13.42 C ATOM 15 CD1 ILE A 2 -27.562 -3.387 -3.400 1.00 42.14 C ATOM 0 H ILE A 2 -26.088 -0.561 -6.160 1.00 25.31 H new ATOM 0 HA ILE A 2 -25.958 0.784 -3.590 1.00 5.30 H new ATOM 0 HB ILE A 2 -27.294 -1.003 -2.829 1.00 50.04 H new ATOM 0 HG12 ILE A 2 -27.406 -2.513 -5.365 1.00 14.44 H new ATOM 0 HG13 ILE A 2 -25.879 -2.629 -4.515 1.00 14.44 H new ATOM 0 HG21 ILE A 2 -29.198 -0.857 -4.383 1.00 13.42 H new ATOM 0 HG22 ILE A 2 -28.426 0.725 -4.119 1.00 13.42 H new ATOM 0 HG23 ILE A 2 -28.124 -0.172 -5.626 1.00 13.42 H new ATOM 0 HD11 ILE A 2 -27.433 -4.404 -3.770 1.00 42.14 H new ATOM 0 HD12 ILE A 2 -27.074 -3.289 -2.430 1.00 42.14 H new ATOM 0 HD13 ILE A 2 -28.625 -3.172 -3.294 1.00 42.14 H new ATOM 27 N GLY A 3 -23.694 -1.261 -4.428 1.00 10.32 N ATOM 28 CA GLY A 3 -22.464 -1.912 -4.013 1.00 11.44 C ATOM 29 C GLY A 3 -21.264 -0.978 -4.182 1.00 74.12 C ATOM 30 O GLY A 3 -20.178 -1.258 -3.678 1.00 43.11 O ATOM 0 H GLY A 3 -23.814 -1.179 -5.438 1.00 10.32 H new ATOM 0 HA2 GLY A 3 -22.545 -2.220 -2.971 1.00 11.44 H new ATOM 0 HA3 GLY A 3 -22.311 -2.817 -4.602 1.00 11.44 H new ATOM 34 N ALA A 4 -21.502 0.115 -4.893 1.00 11.42 N ATOM 35 CA ALA A 4 -20.455 1.093 -5.134 1.00 50.21 C ATOM 36 C ALA A 4 -19.957 1.642 -3.796 1.00 63.30 C ATOM 37 O ALA A 4 -18.880 2.230 -3.725 1.00 13.32 O ATOM 38 CB ALA A 4 -20.987 2.193 -6.054 1.00 73.32 C ATOM 0 H ALA A 4 -22.404 0.344 -5.310 1.00 11.42 H new ATOM 0 HA ALA A 4 -19.606 0.630 -5.636 1.00 50.21 H new ATOM 0 HB1 ALA A 4 -20.202 2.927 -6.235 1.00 73.32 H new ATOM 0 HB2 ALA A 4 -21.300 1.755 -7.002 1.00 73.32 H new ATOM 0 HB3 ALA A 4 -21.839 2.682 -5.582 1.00 73.32 H new ATOM 44 N LEU A 5 -20.766 1.430 -2.768 1.00 72.21 N ATOM 45 CA LEU A 5 -20.421 1.897 -1.436 1.00 23.13 C ATOM 46 C LEU A 5 -19.278 1.044 -0.882 1.00 43.24 C ATOM 47 O LEU A 5 -18.396 1.554 -0.193 1.00 2.14 O ATOM 48 CB LEU A 5 -21.661 1.920 -0.539 1.00 75.31 C ATOM 49 CG LEU A 5 -22.466 3.221 -0.544 1.00 63.34 C ATOM 50 CD1 LEU A 5 -23.871 2.998 0.022 1.00 54.15 C ATOM 51 CD2 LEU A 5 -21.720 4.332 0.197 1.00 72.22 C ATOM 0 H LEU A 5 -21.659 0.941 -2.831 1.00 72.21 H new ATOM 0 HA LEU A 5 -20.063 2.926 -1.473 1.00 23.13 H new ATOM 0 HB2 LEU A 5 -22.320 1.107 -0.842 1.00 75.31 H new ATOM 0 HB3 LEU A 5 -21.349 1.713 0.485 1.00 75.31 H new ATOM 0 HG LEU A 5 -22.582 3.546 -1.578 1.00 63.34 H new ATOM 0 HD11 LEU A 5 -24.423 3.938 0.007 1.00 54.15 H new ATOM 0 HD12 LEU A 5 -24.395 2.260 -0.586 1.00 54.15 H new ATOM 0 HD13 LEU A 5 -23.797 2.637 1.048 1.00 54.15 H new ATOM 0 HD21 LEU A 5 -22.315 5.245 0.178 1.00 72.22 H new ATOM 0 HD22 LEU A 5 -21.551 4.030 1.231 1.00 72.22 H new ATOM 0 HD23 LEU A 5 -20.761 4.513 -0.289 1.00 72.22 H new ATOM 63 N PHE A 6 -19.330 -0.241 -1.205 1.00 33.34 N ATOM 64 CA PHE A 6 -18.310 -1.169 -0.748 1.00 22.42 C ATOM 65 C PHE A 6 -17.075 -1.113 -1.649 1.00 22.14 C ATOM 66 O PHE A 6 -15.951 -1.289 -1.180 1.00 52.13 O ATOM 67 CB PHE A 6 -18.916 -2.572 -0.820 1.00 21.50 C ATOM 68 CG PHE A 6 -18.234 -3.493 -1.832 1.00 64.34 C ATOM 69 CD1 PHE A 6 -16.941 -3.866 -1.648 1.00 14.21 C ATOM 70 CD2 PHE A 6 -18.923 -3.939 -2.917 1.00 65.41 C ATOM 71 CE1 PHE A 6 -16.307 -4.722 -2.589 1.00 4.04 C ATOM 72 CE2 PHE A 6 -18.290 -4.794 -3.858 1.00 3.42 C ATOM 73 CZ PHE A 6 -16.995 -5.168 -3.673 1.00 64.23 C ATOM 0 H PHE A 6 -20.063 -0.660 -1.778 1.00 33.34 H new ATOM 0 HA PHE A 6 -18.000 -0.912 0.265 1.00 22.42 H new ATOM 0 HB2 PHE A 6 -18.862 -3.031 0.167 1.00 21.50 H new ATOM 0 HB3 PHE A 6 -19.972 -2.488 -1.075 1.00 21.50 H new ATOM 0 HD1 PHE A 6 -16.394 -3.512 -0.786 1.00 14.21 H new ATOM 0 HD2 PHE A 6 -19.951 -3.643 -3.063 1.00 65.41 H new ATOM 0 HE1 PHE A 6 -15.279 -5.018 -2.443 1.00 4.04 H new ATOM 0 HE2 PHE A 6 -18.836 -5.147 -4.720 1.00 3.42 H new ATOM 0 HZ PHE A 6 -16.514 -5.819 -4.388 1.00 64.23 H new ATOM 83 N LEU A 7 -17.325 -0.867 -2.927 1.00 0.42 N ATOM 84 CA LEU A 7 -16.248 -0.787 -3.897 1.00 51.34 C ATOM 85 C LEU A 7 -15.258 0.298 -3.467 1.00 0.22 C ATOM 86 O LEU A 7 -14.067 0.208 -3.759 1.00 22.34 O ATOM 87 CB LEU A 7 -16.809 -0.582 -5.306 1.00 24.11 C ATOM 88 CG LEU A 7 -16.459 -1.660 -6.332 1.00 0.42 C ATOM 89 CD1 LEU A 7 -14.942 -1.816 -6.468 1.00 22.30 C ATOM 90 CD2 LEU A 7 -17.142 -2.987 -5.990 1.00 74.53 C ATOM 0 H LEU A 7 -18.258 -0.721 -3.312 1.00 0.42 H new ATOM 0 HA LEU A 7 -15.697 -1.727 -3.931 1.00 51.34 H new ATOM 0 HB2 LEU A 7 -17.895 -0.514 -5.237 1.00 24.11 H new ATOM 0 HB3 LEU A 7 -16.453 0.377 -5.681 1.00 24.11 H new ATOM 0 HG LEU A 7 -16.840 -1.343 -7.303 1.00 0.42 H new ATOM 0 HD11 LEU A 7 -14.720 -2.589 -7.204 1.00 22.30 H new ATOM 0 HD12 LEU A 7 -14.507 -0.871 -6.792 1.00 22.30 H new ATOM 0 HD13 LEU A 7 -14.518 -2.100 -5.505 1.00 22.30 H new ATOM 0 HD21 LEU A 7 -16.876 -3.736 -6.736 1.00 74.53 H new ATOM 0 HD22 LEU A 7 -16.814 -3.322 -5.006 1.00 74.53 H new ATOM 0 HD23 LEU A 7 -18.223 -2.849 -5.984 1.00 74.53 H new ATOM 102 N GLY A 8 -15.789 1.299 -2.779 1.00 43.23 N ATOM 103 CA GLY A 8 -14.968 2.399 -2.304 1.00 74.44 C ATOM 104 C GLY A 8 -14.327 2.064 -0.957 1.00 10.23 C ATOM 105 O GLY A 8 -13.308 2.647 -0.587 1.00 22.41 O ATOM 0 H GLY A 8 -16.778 1.371 -2.540 1.00 43.23 H new ATOM 0 HA2 GLY A 8 -14.191 2.619 -3.036 1.00 74.44 H new ATOM 0 HA3 GLY A 8 -15.578 3.297 -2.207 1.00 74.44 H new ATOM 109 N PHE A 9 -14.949 1.125 -0.259 1.00 53.21 N ATOM 110 CA PHE A 9 -14.452 0.705 1.040 1.00 13.23 C ATOM 111 C PHE A 9 -13.236 -0.212 0.892 1.00 15.21 C ATOM 112 O PHE A 9 -12.179 0.056 1.462 1.00 53.15 O ATOM 113 CB PHE A 9 -15.581 -0.072 1.721 1.00 14.51 C ATOM 114 CG PHE A 9 -15.693 0.184 3.226 1.00 73.15 C ATOM 115 CD1 PHE A 9 -14.569 0.265 3.988 1.00 41.41 C ATOM 116 CD2 PHE A 9 -16.916 0.332 3.801 1.00 13.43 C ATOM 117 CE1 PHE A 9 -14.672 0.503 5.383 1.00 5.10 C ATOM 118 CE2 PHE A 9 -17.020 0.570 5.196 1.00 0.04 C ATOM 119 CZ PHE A 9 -15.896 0.650 5.959 1.00 64.42 C ATOM 0 H PHE A 9 -15.793 0.643 -0.569 1.00 53.21 H new ATOM 0 HA PHE A 9 -14.148 1.576 1.621 1.00 13.23 H new ATOM 0 HB2 PHE A 9 -16.527 0.191 1.247 1.00 14.51 H new ATOM 0 HB3 PHE A 9 -15.426 -1.138 1.555 1.00 14.51 H new ATOM 0 HD1 PHE A 9 -13.598 0.148 3.531 1.00 41.41 H new ATOM 0 HD2 PHE A 9 -17.808 0.268 3.196 1.00 13.43 H new ATOM 0 HE1 PHE A 9 -13.779 0.567 5.987 1.00 5.10 H new ATOM 0 HE2 PHE A 9 -17.992 0.688 5.652 1.00 0.04 H new ATOM 0 HZ PHE A 9 -15.975 0.830 7.021 1.00 64.42 H new ATOM 129 N LEU A 10 -13.425 -1.274 0.123 1.00 12.02 N ATOM 130 CA LEU A 10 -12.357 -2.231 -0.107 1.00 3.31 C ATOM 131 C LEU A 10 -11.188 -1.528 -0.800 1.00 1.20 C ATOM 132 O LEU A 10 -10.049 -1.986 -0.721 1.00 20.42 O ATOM 133 CB LEU A 10 -12.883 -3.447 -0.872 1.00 44.43 C ATOM 134 CG LEU A 10 -12.681 -3.425 -2.389 1.00 13.32 C ATOM 135 CD1 LEU A 10 -13.101 -2.078 -2.978 1.00 64.33 C ATOM 136 CD2 LEU A 10 -11.240 -3.786 -2.756 1.00 5.05 C ATOM 0 H LEU A 10 -14.302 -1.493 -0.349 1.00 12.02 H new ATOM 0 HA LEU A 10 -11.981 -2.617 0.841 1.00 3.31 H new ATOM 0 HB2 LEU A 10 -12.399 -4.339 -0.474 1.00 44.43 H new ATOM 0 HB3 LEU A 10 -13.949 -3.546 -0.669 1.00 44.43 H new ATOM 0 HG LEU A 10 -13.326 -4.185 -2.830 1.00 13.32 H new ATOM 0 HD11 LEU A 10 -12.947 -2.089 -4.057 1.00 64.33 H new ATOM 0 HD12 LEU A 10 -14.155 -1.900 -2.763 1.00 64.33 H new ATOM 0 HD13 LEU A 10 -12.501 -1.284 -2.534 1.00 64.33 H new ATOM 0 HD21 LEU A 10 -11.124 -3.763 -3.840 1.00 5.05 H new ATOM 0 HD22 LEU A 10 -10.558 -3.067 -2.303 1.00 5.05 H new ATOM 0 HD23 LEU A 10 -11.010 -4.786 -2.388 1.00 5.05 H new ATOM 148 N GLY A 11 -11.511 -0.427 -1.464 1.00 14.44 N ATOM 149 CA GLY A 11 -10.502 0.343 -2.169 1.00 35.01 C ATOM 150 C GLY A 11 -9.536 1.011 -1.188 1.00 52.14 C ATOM 151 O GLY A 11 -8.351 1.159 -1.482 1.00 15.35 O ATOM 0 H GLY A 11 -12.457 -0.051 -1.528 1.00 14.44 H new ATOM 0 HA2 GLY A 11 -9.947 -0.309 -2.844 1.00 35.01 H new ATOM 0 HA3 GLY A 11 -10.984 1.103 -2.785 1.00 35.01 H new ATOM 155 N ALA A 12 -10.078 1.397 -0.043 1.00 43.01 N ATOM 156 CA ALA A 12 -9.280 2.045 0.984 1.00 11.30 C ATOM 157 C ALA A 12 -8.087 1.153 1.333 1.00 35.33 C ATOM 158 O ALA A 12 -6.967 1.640 1.487 1.00 62.23 O ATOM 159 CB ALA A 12 -10.158 2.347 2.199 1.00 60.21 C ATOM 0 H ALA A 12 -11.062 1.273 0.197 1.00 43.01 H new ATOM 0 HA ALA A 12 -8.887 2.995 0.623 1.00 11.30 H new ATOM 0 HB1 ALA A 12 -9.559 2.833 2.969 1.00 60.21 H new ATOM 0 HB2 ALA A 12 -10.974 3.007 1.903 1.00 60.21 H new ATOM 0 HB3 ALA A 12 -10.568 1.417 2.592 1.00 60.21 H new ATOM 165 N ALA A 13 -8.366 -0.136 1.450 1.00 4.11 N ATOM 166 CA ALA A 13 -7.330 -1.100 1.780 1.00 72.34 C ATOM 167 C ALA A 13 -6.300 -1.142 0.649 1.00 74.22 C ATOM 168 O ALA A 13 -5.153 -1.530 0.863 1.00 52.11 O ATOM 169 CB ALA A 13 -7.966 -2.467 2.039 1.00 23.25 C ATOM 0 H ALA A 13 -9.295 -0.536 1.322 1.00 4.11 H new ATOM 0 HA ALA A 13 -6.809 -0.805 2.691 1.00 72.34 H new ATOM 0 HB1 ALA A 13 -7.188 -3.189 2.286 1.00 23.25 H new ATOM 0 HB2 ALA A 13 -8.667 -2.390 2.870 1.00 23.25 H new ATOM 0 HB3 ALA A 13 -8.496 -2.797 1.146 1.00 23.25 H new ATOM 175 N GLY A 14 -6.747 -0.736 -0.531 1.00 25.32 N ATOM 176 CA GLY A 14 -5.879 -0.723 -1.696 1.00 63.30 C ATOM 177 C GLY A 14 -4.982 0.516 -1.696 1.00 35.22 C ATOM 178 O GLY A 14 -3.757 0.400 -1.748 1.00 62.44 O ATOM 0 H GLY A 14 -7.699 -0.414 -0.705 1.00 25.32 H new ATOM 0 HA2 GLY A 14 -5.263 -1.622 -1.705 1.00 63.30 H new ATOM 0 HA3 GLY A 14 -6.482 -0.740 -2.604 1.00 63.30 H new ATOM 182 N SER A 15 -5.623 1.673 -1.636 1.00 72.12 N ATOM 183 CA SER A 15 -4.898 2.933 -1.629 1.00 10.35 C ATOM 184 C SER A 15 -4.039 3.033 -0.367 1.00 34.21 C ATOM 185 O SER A 15 -3.147 3.878 -0.284 1.00 25.20 O ATOM 186 CB SER A 15 -5.857 4.122 -1.714 1.00 2.13 C ATOM 187 OG SER A 15 -6.976 3.968 -0.846 1.00 71.22 O ATOM 0 H SER A 15 -6.638 1.765 -1.592 1.00 72.12 H new ATOM 0 HA SER A 15 -4.251 2.961 -2.506 1.00 10.35 H new ATOM 0 HB2 SER A 15 -5.323 5.037 -1.458 1.00 2.13 H new ATOM 0 HB3 SER A 15 -6.207 4.233 -2.740 1.00 2.13 H new ATOM 0 HG SER A 15 -7.564 4.748 -0.928 1.00 71.22 H new ATOM 193 N LYS A 16 -4.336 2.160 0.585 1.00 20.40 N ATOM 194 CA LYS A 16 -3.601 2.140 1.838 1.00 23.53 C ATOM 195 C LYS A 16 -2.164 1.690 1.575 1.00 14.35 C ATOM 196 O LYS A 16 -1.216 2.404 1.903 1.00 1.20 O ATOM 197 CB LYS A 16 -4.333 1.285 2.875 1.00 62.53 C ATOM 198 CG LYS A 16 -3.619 1.332 4.227 1.00 63.23 C ATOM 199 CD LYS A 16 -4.598 1.069 5.374 1.00 54.52 C ATOM 200 CE LYS A 16 -4.729 2.298 6.275 1.00 13.52 C ATOM 201 NZ LYS A 16 -4.848 3.527 5.461 1.00 73.13 N ATOM 0 H LYS A 16 -5.076 1.461 0.513 1.00 20.40 H new ATOM 0 HA LYS A 16 -3.548 3.142 2.264 1.00 23.53 H new ATOM 0 HB2 LYS A 16 -5.357 1.641 2.988 1.00 62.53 H new ATOM 0 HB3 LYS A 16 -4.391 0.254 2.526 1.00 62.53 H new ATOM 0 HG2 LYS A 16 -2.822 0.589 4.247 1.00 63.23 H new ATOM 0 HG3 LYS A 16 -3.150 2.307 4.361 1.00 63.23 H new ATOM 0 HD2 LYS A 16 -5.575 0.804 4.970 1.00 54.52 H new ATOM 0 HD3 LYS A 16 -4.255 0.218 5.962 1.00 54.52 H new ATOM 0 HE2 LYS A 16 -5.604 2.194 6.917 1.00 13.52 H new ATOM 0 HE3 LYS A 16 -3.860 2.371 6.929 1.00 13.52 H new ATOM 0 HZ1 LYS A 16 -5.471 4.205 5.945 1.00 73.13 H new ATOM 0 HZ2 LYS A 16 -3.907 3.952 5.334 1.00 73.13 H new ATOM 0 HZ3 LYS A 16 -5.249 3.290 4.531 1.00 73.13 H new ATOM 214 N LYS A 17 -2.046 0.509 0.987 1.00 55.31 N ATOM 215 CA LYS A 17 -0.739 -0.045 0.676 1.00 52.22 C ATOM 216 C LYS A 17 0.047 0.958 -0.172 1.00 50.33 C ATOM 217 O LYS A 17 0.932 1.645 0.333 1.00 4.34 O ATOM 218 CB LYS A 17 -0.882 -1.423 0.025 1.00 72.14 C ATOM 219 CG LYS A 17 0.149 -2.404 0.588 1.00 24.01 C ATOM 220 CD LYS A 17 -0.148 -2.729 2.053 1.00 33.21 C ATOM 221 CE LYS A 17 0.103 -4.209 2.349 1.00 61.31 C ATOM 222 NZ LYS A 17 -0.055 -4.484 3.795 1.00 74.21 N ATOM 0 H LYS A 17 -2.834 -0.080 0.718 1.00 55.31 H new ATOM 0 HA LYS A 17 -0.167 -0.208 1.589 1.00 52.22 H new ATOM 0 HB2 LYS A 17 -1.887 -1.808 0.197 1.00 72.14 H new ATOM 0 HB3 LYS A 17 -0.754 -1.335 -1.054 1.00 72.14 H new ATOM 0 HG2 LYS A 17 0.143 -3.321 -0.000 1.00 24.01 H new ATOM 0 HG3 LYS A 17 1.148 -1.977 0.502 1.00 24.01 H new ATOM 0 HD2 LYS A 17 0.478 -2.114 2.700 1.00 33.21 H new ATOM 0 HD3 LYS A 17 -1.184 -2.480 2.282 1.00 33.21 H new ATOM 0 HE2 LYS A 17 -0.593 -4.823 1.778 1.00 61.31 H new ATOM 0 HE3 LYS A 17 1.108 -4.485 2.028 1.00 61.31 H new ATOM 0 HZ1 LYS A 17 0.119 -5.493 3.978 1.00 74.21 H new ATOM 0 HZ2 LYS A 17 0.627 -3.912 4.334 1.00 74.21 H new ATOM 0 HZ3 LYS A 17 -1.022 -4.240 4.091 1.00 74.21 H new HETATM 235 C1 ACA A 18 0.110 4.834 -7.720 1.00 64.53 C HETATM 236 O1 ACA A 18 1.174 4.638 -8.306 1.00 22.11 O HETATM 237 C2 ACA A 18 -0.128 3.522 -7.078 1.00 73.14 C HETATM 238 C3 ACA A 18 -0.312 3.689 -5.569 1.00 40.21 C HETATM 239 C4 ACA A 18 0.424 2.589 -4.802 1.00 24.01 C HETATM 240 C5 ACA A 18 -0.446 2.034 -3.671 1.00 33.12 C HETATM 241 C6 ACA A 18 0.355 1.915 -2.372 1.00 3.30 C HETATM 242 N6 ACA A 18 -0.306 1.009 -1.449 1.00 10.31 N HETATM 0 HN61 ACA A 18 -1.181 0.559 -1.716 1.00 10.31 H new HETATM 0 H62 ACA A 18 1.360 1.553 -2.589 1.00 3.30 H new HETATM 0 H61 ACA A 18 0.462 2.898 -1.912 1.00 3.30 H new HETATM 0 H52 ACA A 18 -1.305 2.686 -3.514 1.00 33.12 H new HETATM 0 H51 ACA A 18 -0.836 1.056 -3.953 1.00 33.12 H new HETATM 0 H42 ACA A 18 0.696 1.784 -5.485 1.00 24.01 H new HETATM 0 H41 ACA A 18 1.352 2.986 -4.391 1.00 24.01 H new HETATM 0 H32 ACA A 18 0.061 4.665 -5.259 1.00 40.21 H new HETATM 0 H31 ACA A 18 -1.374 3.661 -5.323 1.00 40.21 H new HETATM 0 H22 ACA A 18 -1.014 3.055 -7.509 1.00 73.14 H new HETATM 0 H21 ACA A 18 0.712 2.856 -7.276 1.00 73.14 H new ATOM 254 N LYS A 19 -0.985 5.312 -8.293 1.00 41.21 N ATOM 255 CA LYS A 19 -1.005 5.649 -9.706 1.00 40.54 C ATOM 256 C LYS A 19 -0.692 7.137 -9.876 1.00 23.01 C ATOM 257 O LYS A 19 0.415 7.502 -10.268 1.00 32.05 O ATOM 258 CB LYS A 19 -2.329 5.222 -10.342 1.00 61.30 C ATOM 259 CG LYS A 19 -2.788 3.868 -9.797 1.00 22.03 C ATOM 260 CD LYS A 19 -3.967 4.035 -8.835 1.00 1.40 C ATOM 261 CE LYS A 19 -4.485 2.675 -8.362 1.00 51.31 C ATOM 262 NZ LYS A 19 -5.841 2.808 -7.786 1.00 22.11 N ATOM 0 HA LYS A 19 -0.231 5.097 -10.239 1.00 40.54 H new ATOM 0 HB2 LYS A 19 -3.091 5.975 -10.143 1.00 61.30 H new ATOM 0 HB3 LYS A 19 -2.214 5.162 -11.424 1.00 61.30 H new ATOM 0 HG2 LYS A 19 -3.077 3.219 -10.623 1.00 22.03 H new ATOM 0 HG3 LYS A 19 -1.960 3.380 -9.282 1.00 22.03 H new ATOM 0 HD2 LYS A 19 -3.658 4.630 -7.975 1.00 1.40 H new ATOM 0 HD3 LYS A 19 -4.770 4.582 -9.329 1.00 1.40 H new ATOM 0 HE2 LYS A 19 -4.506 1.976 -9.198 1.00 51.31 H new ATOM 0 HE3 LYS A 19 -3.806 2.260 -7.617 1.00 51.31 H new ATOM 0 HZ1 LYS A 19 -6.177 1.876 -7.470 1.00 22.11 H new ATOM 0 HZ2 LYS A 19 -5.811 3.458 -6.975 1.00 22.11 H new ATOM 0 HZ3 LYS A 19 -6.489 3.184 -8.507 1.00 22.11 H new ATOM 275 N ASN A 20 -1.689 7.956 -9.572 1.00 30.24 N ATOM 276 CA ASN A 20 -1.534 9.397 -9.685 1.00 1.31 C ATOM 277 C ASN A 20 -0.246 9.824 -8.980 1.00 40.10 C ATOM 278 O ASN A 20 -0.146 9.741 -7.756 1.00 43.02 O ATOM 279 CB ASN A 20 -2.702 10.130 -9.021 1.00 52.42 C ATOM 280 CG ASN A 20 -4.001 9.910 -9.800 1.00 51.21 C ATOM 281 OD1 ASN A 20 -4.421 8.794 -10.055 1.00 12.45 O ATOM 282 ND2 ASN A 20 -4.610 11.035 -10.163 1.00 21.10 N ATOM 0 H ASN A 20 -2.606 7.649 -9.248 1.00 30.24 H new ATOM 0 HA ASN A 20 -1.504 9.651 -10.745 1.00 1.31 H new ATOM 0 HB2 ASN A 20 -2.823 9.776 -7.997 1.00 52.42 H new ATOM 0 HB3 ASN A 20 -2.483 11.196 -8.966 1.00 52.42 H new ATOM 0 HD21 ASN A 20 -5.484 10.995 -10.688 1.00 21.10 H new ATOM 0 HD22 ASN A 20 -4.203 11.937 -9.917 1.00 21.10 H new ATOM 289 N GLU A 21 0.709 10.273 -9.781 1.00 51.53 N ATOM 290 CA GLU A 21 1.988 10.713 -9.250 1.00 20.43 C ATOM 291 C GLU A 21 1.778 11.818 -8.212 1.00 63.34 C ATOM 292 O GLU A 21 2.587 11.979 -7.300 1.00 21.43 O ATOM 293 CB GLU A 21 2.916 11.182 -10.371 1.00 72.42 C ATOM 294 CG GLU A 21 3.207 10.046 -11.353 1.00 71.22 C ATOM 295 CD GLU A 21 4.602 9.462 -11.118 1.00 44.34 C ATOM 296 OE1 GLU A 21 5.608 10.113 -11.437 1.00 43.41 O ATOM 297 OE2 GLU A 21 4.617 8.288 -10.584 1.00 30.14 O ATOM 0 H GLU A 21 0.622 10.342 -10.795 1.00 51.53 H new ATOM 0 HA GLU A 21 2.467 9.866 -8.759 1.00 20.43 H new ATOM 0 HB2 GLU A 21 2.459 12.017 -10.901 1.00 72.42 H new ATOM 0 HB3 GLU A 21 3.850 11.548 -9.945 1.00 72.42 H new ATOM 0 HG2 GLU A 21 2.457 9.263 -11.241 1.00 71.22 H new ATOM 0 HG3 GLU A 21 3.131 10.416 -12.375 1.00 71.22 H new ATOM 305 N GLN A 22 0.688 12.550 -8.387 1.00 24.52 N ATOM 306 CA GLN A 22 0.362 13.636 -7.477 1.00 63.12 C ATOM 307 C GLN A 22 0.393 13.142 -6.030 1.00 32.45 C ATOM 308 O GLN A 22 0.965 13.798 -5.159 1.00 4.23 O ATOM 309 CB GLN A 22 -0.999 14.248 -7.819 1.00 14.31 C ATOM 310 CG GLN A 22 -0.982 15.765 -7.623 1.00 32.34 C ATOM 311 CD GLN A 22 -2.404 16.321 -7.524 1.00 40.44 C ATOM 312 OE1 GLN A 22 -2.736 17.099 -6.646 1.00 14.10 O ATOM 313 NE2 GLN A 22 -3.224 15.879 -8.474 1.00 4.31 N ATOM 0 H GLN A 22 0.019 12.413 -9.145 1.00 24.52 H new ATOM 0 HA GLN A 22 1.113 14.417 -7.590 1.00 63.12 H new ATOM 0 HB2 GLN A 22 -1.258 14.014 -8.852 1.00 14.31 H new ATOM 0 HB3 GLN A 22 -1.770 13.805 -7.189 1.00 14.31 H new ATOM 0 HG2 GLN A 22 -0.427 16.012 -6.718 1.00 32.34 H new ATOM 0 HG3 GLN A 22 -0.460 16.237 -8.456 1.00 32.34 H new ATOM 0 HE21 GLN A 22 -2.882 15.228 -9.180 1.00 4.31 H new ATOM 0 HE22 GLN A 22 -4.195 16.192 -8.496 1.00 4.31 H new ATOM 322 N GLU A 23 -0.228 11.992 -5.816 1.00 12.12 N ATOM 323 CA GLU A 23 -0.277 11.404 -4.489 1.00 3.35 C ATOM 324 C GLU A 23 1.134 11.272 -3.912 1.00 61.30 C ATOM 325 O GLU A 23 1.326 11.379 -2.702 1.00 41.50 O ATOM 326 CB GLU A 23 -0.986 10.048 -4.516 1.00 43.44 C ATOM 327 CG GLU A 23 -2.496 10.214 -4.332 1.00 34.30 C ATOM 328 CD GLU A 23 -3.269 9.248 -5.232 1.00 13.40 C ATOM 329 OE1 GLU A 23 -2.656 8.421 -5.924 1.00 32.11 O ATOM 330 OE2 GLU A 23 -4.551 9.377 -5.196 1.00 63.35 O ATOM 0 H GLU A 23 -0.702 11.451 -6.540 1.00 12.12 H new ATOM 0 HA GLU A 23 -0.852 12.066 -3.842 1.00 3.35 H new ATOM 0 HB2 GLU A 23 -0.784 9.547 -5.463 1.00 43.44 H new ATOM 0 HB3 GLU A 23 -0.588 9.410 -3.727 1.00 43.44 H new ATOM 0 HG2 GLU A 23 -2.760 10.036 -3.290 1.00 34.30 H new ATOM 0 HG3 GLU A 23 -2.783 11.240 -4.563 1.00 34.30 H new ATOM 338 N LEU A 24 2.085 11.045 -4.806 1.00 4.51 N ATOM 339 CA LEU A 24 3.473 10.897 -4.402 1.00 31.41 C ATOM 340 C LEU A 24 4.017 12.257 -3.961 1.00 71.41 C ATOM 341 O LEU A 24 4.785 12.342 -3.004 1.00 33.45 O ATOM 342 CB LEU A 24 4.289 10.240 -5.517 1.00 20.31 C ATOM 343 CG LEU A 24 5.414 9.307 -5.063 1.00 62.40 C ATOM 344 CD1 LEU A 24 5.470 8.053 -5.938 1.00 32.04 C ATOM 345 CD2 LEU A 24 6.755 10.042 -5.027 1.00 70.13 C ATOM 0 H LEU A 24 1.922 10.960 -5.809 1.00 4.51 H new ATOM 0 HA LEU A 24 3.552 10.228 -3.545 1.00 31.41 H new ATOM 0 HB2 LEU A 24 3.609 9.674 -6.153 1.00 20.31 H new ATOM 0 HB3 LEU A 24 4.723 11.026 -6.135 1.00 20.31 H new ATOM 0 HG LEU A 24 5.199 8.981 -4.045 1.00 62.40 H new ATOM 0 HD11 LEU A 24 6.277 7.406 -5.595 1.00 32.04 H new ATOM 0 HD12 LEU A 24 4.523 7.519 -5.869 1.00 32.04 H new ATOM 0 HD13 LEU A 24 5.650 8.340 -6.974 1.00 32.04 H new ATOM 0 HD21 LEU A 24 7.537 9.356 -4.701 1.00 70.13 H new ATOM 0 HD22 LEU A 24 6.992 10.416 -6.023 1.00 70.13 H new ATOM 0 HD23 LEU A 24 6.693 10.879 -4.331 1.00 70.13 H new ATOM 357 N LEU A 25 3.597 13.289 -4.679 1.00 0.23 N ATOM 358 CA LEU A 25 4.033 14.641 -4.374 1.00 24.35 C ATOM 359 C LEU A 25 3.445 15.069 -3.027 1.00 71.03 C ATOM 360 O LEU A 25 4.038 15.881 -2.318 1.00 11.53 O ATOM 361 CB LEU A 25 3.688 15.588 -5.524 1.00 63.22 C ATOM 362 CG LEU A 25 3.691 17.081 -5.188 1.00 55.54 C ATOM 363 CD1 LEU A 25 4.640 17.847 -6.112 1.00 31.31 C ATOM 364 CD2 LEU A 25 2.273 17.653 -5.221 1.00 31.14 C ATOM 0 H LEU A 25 2.959 13.216 -5.471 1.00 0.23 H new ATOM 0 HA LEU A 25 5.118 14.679 -4.276 1.00 24.35 H new ATOM 0 HB2 LEU A 25 4.397 15.417 -6.334 1.00 63.22 H new ATOM 0 HB3 LEU A 25 2.701 15.323 -5.903 1.00 63.22 H new ATOM 0 HG LEU A 25 4.063 17.203 -4.171 1.00 55.54 H new ATOM 0 HD11 LEU A 25 4.624 18.906 -5.853 1.00 31.31 H new ATOM 0 HD12 LEU A 25 5.652 17.460 -5.996 1.00 31.31 H new ATOM 0 HD13 LEU A 25 4.320 17.722 -7.147 1.00 31.31 H new ATOM 0 HD21 LEU A 25 2.303 18.715 -4.979 1.00 31.14 H new ATOM 0 HD22 LEU A 25 1.850 17.520 -6.217 1.00 31.14 H new ATOM 0 HD23 LEU A 25 1.653 17.132 -4.491 1.00 31.14 H new ATOM 376 N GLU A 26 2.288 14.505 -2.716 1.00 61.11 N ATOM 377 CA GLU A 26 1.614 14.819 -1.468 1.00 4.31 C ATOM 378 C GLU A 26 2.519 14.490 -0.279 1.00 25.23 C ATOM 379 O GLU A 26 2.508 15.197 0.728 1.00 0.35 O ATOM 380 CB GLU A 26 0.280 14.076 -1.363 1.00 70.42 C ATOM 381 CG GLU A 26 -0.625 14.720 -0.310 1.00 54.13 C ATOM 382 CD GLU A 26 -1.135 13.677 0.686 1.00 71.35 C ATOM 383 OE1 GLU A 26 -1.150 12.478 0.374 1.00 14.55 O ATOM 384 OE2 GLU A 26 -1.526 14.152 1.820 1.00 71.11 O ATOM 0 H GLU A 26 1.800 13.832 -3.307 1.00 61.11 H new ATOM 0 HA GLU A 26 1.400 15.888 -1.452 1.00 4.31 H new ATOM 0 HB2 GLU A 26 -0.221 14.082 -2.331 1.00 70.42 H new ATOM 0 HB3 GLU A 26 0.460 13.033 -1.104 1.00 70.42 H new ATOM 0 HG2 GLU A 26 -0.075 15.497 0.221 1.00 54.13 H new ATOM 0 HG3 GLU A 26 -1.470 15.205 -0.799 1.00 54.13 H new ATOM 392 N LEU A 27 3.279 13.417 -0.435 1.00 12.22 N ATOM 393 CA LEU A 27 4.189 12.985 0.614 1.00 32.40 C ATOM 394 C LEU A 27 5.316 14.011 0.759 1.00 3.54 C ATOM 395 O LEU A 27 5.844 14.206 1.852 1.00 71.55 O ATOM 396 CB LEU A 27 4.683 11.563 0.343 1.00 21.05 C ATOM 397 CG LEU A 27 4.849 10.665 1.571 1.00 63.32 C ATOM 398 CD1 LEU A 27 6.006 11.144 2.448 1.00 14.11 C ATOM 399 CD2 LEU A 27 3.539 10.563 2.356 1.00 44.32 C ATOM 0 H LEU A 27 3.284 12.833 -1.271 1.00 12.22 H new ATOM 0 HA LEU A 27 3.672 12.940 1.573 1.00 32.40 H new ATOM 0 HB2 LEU A 27 3.986 11.082 -0.343 1.00 21.05 H new ATOM 0 HB3 LEU A 27 5.643 11.625 -0.170 1.00 21.05 H new ATOM 0 HG LEU A 27 5.099 9.661 1.229 1.00 63.32 H new ATOM 0 HD11 LEU A 27 6.102 10.488 3.314 1.00 14.11 H new ATOM 0 HD12 LEU A 27 6.932 11.123 1.873 1.00 14.11 H new ATOM 0 HD13 LEU A 27 5.810 12.162 2.784 1.00 14.11 H new ATOM 0 HD21 LEU A 27 3.684 9.919 3.224 1.00 44.32 H new ATOM 0 HD22 LEU A 27 3.235 11.556 2.688 1.00 44.32 H new ATOM 0 HD23 LEU A 27 2.764 10.141 1.717 1.00 44.32 H new ATOM 411 N ASP A 28 5.650 14.637 -0.360 1.00 0.21 N ATOM 412 CA ASP A 28 6.704 15.636 -0.371 1.00 54.20 C ATOM 413 C ASP A 28 6.355 16.751 0.616 1.00 22.41 C ATOM 414 O ASP A 28 7.180 17.134 1.444 1.00 71.34 O ATOM 415 CB ASP A 28 6.855 16.262 -1.758 1.00 70.21 C ATOM 416 CG ASP A 28 8.264 16.755 -2.097 1.00 10.42 C ATOM 417 OD1 ASP A 28 8.451 17.894 -2.547 1.00 52.13 O ATOM 418 OD2 ASP A 28 9.207 15.901 -1.878 1.00 21.53 O ATOM 0 H ASP A 28 5.209 14.472 -1.265 1.00 0.21 H new ATOM 0 HA ASP A 28 7.637 15.145 -0.094 1.00 54.20 H new ATOM 0 HB2 ASP A 28 6.554 15.528 -2.506 1.00 70.21 H new ATOM 0 HB3 ASP A 28 6.164 17.101 -1.838 1.00 70.21 H new ATOM 424 N LYS A 29 5.129 17.241 0.496 1.00 34.20 N ATOM 425 CA LYS A 29 4.660 18.305 1.367 1.00 60.31 C ATOM 426 C LYS A 29 4.634 17.801 2.812 1.00 71.40 C ATOM 427 O LYS A 29 4.958 18.543 3.738 1.00 40.31 O ATOM 428 CB LYS A 29 3.314 18.843 0.879 1.00 45.20 C ATOM 429 CG LYS A 29 2.677 19.760 1.926 1.00 51.41 C ATOM 430 CD LYS A 29 2.310 21.115 1.317 1.00 23.00 C ATOM 431 CE LYS A 29 3.547 22.001 1.165 1.00 41.33 C ATOM 432 NZ LYS A 29 3.608 22.998 2.257 1.00 74.45 N ATOM 0 H LYS A 29 4.447 16.920 -0.191 1.00 34.20 H new ATOM 0 HA LYS A 29 5.345 19.152 1.337 1.00 60.31 H new ATOM 0 HB2 LYS A 29 3.454 19.391 -0.053 1.00 45.20 H new ATOM 0 HB3 LYS A 29 2.643 18.012 0.662 1.00 45.20 H new ATOM 0 HG2 LYS A 29 1.784 19.287 2.334 1.00 51.41 H new ATOM 0 HG3 LYS A 29 3.368 19.906 2.756 1.00 51.41 H new ATOM 0 HD2 LYS A 29 1.844 20.966 0.343 1.00 23.00 H new ATOM 0 HD3 LYS A 29 1.576 21.615 1.949 1.00 23.00 H new ATOM 0 HE2 LYS A 29 4.446 21.385 1.176 1.00 41.33 H new ATOM 0 HE3 LYS A 29 3.521 22.510 0.201 1.00 41.33 H new ATOM 0 HZ1 LYS A 29 4.454 23.591 2.139 1.00 74.45 H new ATOM 0 HZ2 LYS A 29 2.758 23.597 2.228 1.00 74.45 H new ATOM 0 HZ3 LYS A 29 3.655 22.507 3.173 1.00 74.45 H new ATOM 445 N TRP A 30 4.245 16.543 2.959 1.00 72.32 N ATOM 446 CA TRP A 30 4.171 15.931 4.274 1.00 32.02 C ATOM 447 C TRP A 30 5.587 15.885 4.854 1.00 33.22 C ATOM 448 O TRP A 30 5.762 15.808 6.069 1.00 74.22 O ATOM 449 CB TRP A 30 3.511 14.554 4.202 1.00 4.03 C ATOM 450 CG TRP A 30 3.102 13.988 5.564 1.00 4.32 C ATOM 451 CD1 TRP A 30 1.867 13.873 6.072 1.00 2.13 C ATOM 452 CD2 TRP A 30 3.984 13.461 6.577 1.00 53.11 C ATOM 453 NE1 TRP A 30 1.889 13.313 7.334 1.00 73.31 N ATOM 454 CE2 TRP A 30 3.219 13.054 7.650 1.00 23.42 C ATOM 455 CE3 TRP A 30 5.384 13.331 6.585 1.00 35.44 C ATOM 456 CZ2 TRP A 30 3.762 12.492 8.811 1.00 21.42 C ATOM 457 CZ3 TRP A 30 5.913 12.768 7.753 1.00 30.10 C ATOM 458 CH2 TRP A 30 5.155 12.353 8.842 1.00 71.31 C ATOM 0 H TRP A 30 3.978 15.931 2.188 1.00 72.32 H new ATOM 0 HA TRP A 30 3.540 16.521 4.939 1.00 32.02 H new ATOM 0 HB2 TRP A 30 2.628 14.619 3.567 1.00 4.03 H new ATOM 0 HB3 TRP A 30 4.199 13.857 3.722 1.00 4.03 H new ATOM 0 HD1 TRP A 30 0.968 14.180 5.559 1.00 2.13 H new ATOM 0 HE1 TRP A 30 1.080 13.124 7.925 1.00 73.31 H new ATOM 0 HE3 TRP A 30 6.003 13.641 5.756 1.00 35.44 H new ATOM 0 HZ2 TRP A 30 3.140 12.182 9.638 1.00 21.42 H new ATOM 0 HZ3 TRP A 30 6.985 12.648 7.812 1.00 30.10 H new ATOM 0 HH2 TRP A 30 5.638 11.925 9.708 1.00 71.31 H new ATOM 469 N ALA A 31 6.561 15.935 3.957 1.00 32.21 N ATOM 470 CA ALA A 31 7.956 15.901 4.364 1.00 5.42 C ATOM 471 C ALA A 31 8.245 17.092 5.278 1.00 35.32 C ATOM 472 O ALA A 31 9.118 17.019 6.143 1.00 20.10 O ATOM 473 CB ALA A 31 8.849 15.887 3.122 1.00 33.04 C ATOM 0 H ALA A 31 6.412 15.999 2.950 1.00 32.21 H new ATOM 0 HA ALA A 31 8.170 14.994 4.929 1.00 5.42 H new ATOM 0 HB1 ALA A 31 9.895 15.862 3.426 1.00 33.04 H new ATOM 0 HB2 ALA A 31 8.624 15.005 2.522 1.00 33.04 H new ATOM 0 HB3 ALA A 31 8.665 16.784 2.531 1.00 33.04 H new ATOM 479 N SER A 32 7.497 18.163 5.057 1.00 30.44 N ATOM 480 CA SER A 32 7.663 19.369 5.851 1.00 43.24 C ATOM 481 C SER A 32 7.571 19.032 7.340 1.00 31.53 C ATOM 482 O SER A 32 8.235 19.659 8.164 1.00 74.34 O ATOM 483 CB SER A 32 6.616 20.421 5.479 1.00 65.40 C ATOM 484 OG SER A 32 6.706 20.805 4.110 1.00 15.01 O ATOM 0 H SER A 32 6.774 18.221 4.339 1.00 30.44 H new ATOM 0 HA SER A 32 8.648 19.785 5.640 1.00 43.24 H new ATOM 0 HB2 SER A 32 5.620 20.027 5.680 1.00 65.40 H new ATOM 0 HB3 SER A 32 6.745 21.300 6.111 1.00 65.40 H new ATOM 0 HG SER A 32 6.171 20.193 3.563 1.00 15.01 H new ATOM 490 N LEU A 33 6.743 18.042 7.641 1.00 51.00 N ATOM 491 CA LEU A 33 6.556 17.615 9.017 1.00 3.41 C ATOM 492 C LEU A 33 7.919 17.311 9.641 1.00 61.12 C ATOM 493 O LEU A 33 8.179 17.684 10.783 1.00 33.34 O ATOM 494 CB LEU A 33 5.574 16.444 9.085 1.00 64.33 C ATOM 495 CG LEU A 33 4.596 16.456 10.262 1.00 33.05 C ATOM 496 CD1 LEU A 33 3.247 15.858 9.861 1.00 43.31 C ATOM 497 CD2 LEU A 33 5.197 15.751 11.480 1.00 61.51 C ATOM 0 H LEU A 33 6.194 17.523 6.955 1.00 51.00 H new ATOM 0 HA LEU A 33 6.106 18.414 9.606 1.00 3.41 H new ATOM 0 HB2 LEU A 33 4.998 16.425 8.160 1.00 64.33 H new ATOM 0 HB3 LEU A 33 6.147 15.517 9.123 1.00 64.33 H new ATOM 0 HG LEU A 33 4.416 17.493 10.546 1.00 33.05 H new ATOM 0 HD11 LEU A 33 2.571 15.879 10.716 1.00 43.31 H new ATOM 0 HD12 LEU A 33 2.819 16.441 9.046 1.00 43.31 H new ATOM 0 HD13 LEU A 33 3.388 14.827 9.535 1.00 43.31 H new ATOM 0 HD21 LEU A 33 4.482 15.773 12.303 1.00 61.51 H new ATOM 0 HD22 LEU A 33 5.425 14.716 11.225 1.00 61.51 H new ATOM 0 HD23 LEU A 33 6.112 16.261 11.781 1.00 61.51 H new ATOM 509 N TRP A 34 8.754 16.635 8.864 1.00 24.43 N ATOM 510 CA TRP A 34 10.083 16.277 9.327 1.00 32.12 C ATOM 511 C TRP A 34 10.826 17.569 9.675 1.00 11.50 C ATOM 512 O TRP A 34 11.575 17.614 10.649 1.00 35.43 O ATOM 513 CB TRP A 34 10.815 15.428 8.286 1.00 60.11 C ATOM 514 CG TRP A 34 10.461 13.941 8.336 1.00 4.14 C ATOM 515 CD1 TRP A 34 9.397 13.327 7.798 1.00 73.33 C ATOM 516 CD2 TRP A 34 11.219 12.897 8.984 1.00 44.01 C ATOM 517 NE1 TRP A 34 9.414 11.972 8.050 1.00 4.55 N ATOM 518 CE2 TRP A 34 10.556 11.701 8.794 1.00 51.21 C ATOM 519 CE3 TRP A 34 12.424 12.962 9.706 1.00 45.44 C ATOM 520 CZ2 TRP A 34 11.022 10.479 9.296 1.00 13.21 C ATOM 521 CZ3 TRP A 34 12.875 11.732 10.200 1.00 61.03 C ATOM 522 CH2 TRP A 34 12.221 10.520 10.018 1.00 4.51 C ATOM 0 H TRP A 34 8.535 16.326 7.917 1.00 24.43 H new ATOM 0 HA TRP A 34 10.027 15.656 10.221 1.00 32.12 H new ATOM 0 HB2 TRP A 34 10.586 15.812 7.292 1.00 60.11 H new ATOM 0 HB3 TRP A 34 11.889 15.540 8.431 1.00 60.11 H new ATOM 0 HD1 TRP A 34 8.624 13.831 7.237 1.00 73.33 H new ATOM 0 HE1 TRP A 34 8.716 11.293 7.746 1.00 4.55 H new ATOM 0 HE3 TRP A 34 12.959 13.887 9.867 1.00 45.44 H new ATOM 0 HZ2 TRP A 34 10.486 9.556 9.135 1.00 13.21 H new ATOM 0 HZ3 TRP A 34 13.797 11.725 10.763 1.00 61.03 H new ATOM 0 HH2 TRP A 34 12.636 9.613 10.432 1.00 4.51 H new ATOM 533 N ASN A 35 10.593 18.586 8.859 1.00 52.32 N ATOM 534 CA ASN A 35 11.232 19.875 9.068 1.00 50.44 C ATOM 535 C ASN A 35 11.214 20.666 7.758 1.00 34.13 C ATOM 536 O ASN A 35 10.890 20.121 6.704 1.00 30.45 O ATOM 537 CB ASN A 35 12.690 19.704 9.497 1.00 11.32 C ATOM 538 CG ASN A 35 13.549 20.867 8.998 1.00 61.33 C ATOM 539 OD1 ASN A 35 13.476 21.982 9.489 1.00 3.25 O ATOM 540 ND2 ASN A 35 14.364 20.548 7.997 1.00 62.10 N ATOM 0 H ASN A 35 9.971 18.544 8.052 1.00 52.32 H new ATOM 0 HA ASN A 35 10.685 20.400 9.851 1.00 50.44 H new ATOM 0 HB2 ASN A 35 12.748 19.645 10.584 1.00 11.32 H new ATOM 0 HB3 ASN A 35 13.080 18.765 9.105 1.00 11.32 H new ATOM 0 HD21 ASN A 35 14.978 21.256 7.594 1.00 62.10 H new ATOM 0 HD22 ASN A 35 14.376 19.595 7.633 1.00 62.10 H new TER 547 ASN A 35