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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.373 (180deg=-0.562) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.0298 (180deg=-0.585) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc=-0.00588 X(o=-0.0059,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= -0.356 X(o=-0.36,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.445 -3.178 3.929 1.00 11.35 N ATOM 2 CA GLY A 1 -22.975 -3.550 2.605 1.00 21.43 C ATOM 3 C GLY A 1 -21.684 -2.810 2.254 1.00 15.11 C ATOM 4 O GLY A 1 -21.694 -1.597 2.051 1.00 11.03 O ATOM 0 H1 GLY A 1 -24.322 -3.694 4.144 1.00 11.35 H new ATOM 0 H2 GLY A 1 -22.720 -3.419 4.635 1.00 11.35 H new ATOM 0 H3 GLY A 1 -23.629 -2.155 3.957 1.00 11.35 H new ATOM 0 HA2 GLY A 1 -22.804 -4.626 2.565 1.00 21.43 H new ATOM 0 HA3 GLY A 1 -23.742 -3.321 1.865 1.00 21.43 H new ATOM 8 N ILE A 2 -20.601 -3.572 2.192 1.00 2.33 N ATOM 9 CA ILE A 2 -19.303 -3.003 1.869 1.00 34.14 C ATOM 10 C ILE A 2 -18.753 -3.682 0.613 1.00 51.34 C ATOM 11 O ILE A 2 -17.733 -4.368 0.671 1.00 12.24 O ATOM 12 CB ILE A 2 -18.366 -3.087 3.075 1.00 74.12 C ATOM 13 CG1 ILE A 2 -18.674 -4.322 3.924 1.00 43.11 C ATOM 14 CG2 ILE A 2 -18.414 -1.798 3.897 1.00 24.50 C ATOM 15 CD1 ILE A 2 -18.346 -5.608 3.163 1.00 1.14 C ATOM 0 H ILE A 2 -20.596 -4.578 2.360 1.00 2.33 H new ATOM 0 HA ILE A 2 -19.397 -1.941 1.643 1.00 34.14 H new ATOM 0 HB ILE A 2 -17.345 -3.196 2.708 1.00 74.12 H new ATOM 0 HG12 ILE A 2 -18.097 -4.285 4.848 1.00 43.11 H new ATOM 0 HG13 ILE A 2 -19.727 -4.321 4.205 1.00 43.11 H new ATOM 0 HG21 ILE A 2 -17.739 -1.884 4.748 1.00 24.50 H new ATOM 0 HG22 ILE A 2 -18.107 -0.958 3.274 1.00 24.50 H new ATOM 0 HG23 ILE A 2 -19.430 -1.632 4.255 1.00 24.50 H new ATOM 0 HD11 ILE A 2 -18.574 -6.470 3.790 1.00 1.14 H new ATOM 0 HD12 ILE A 2 -18.942 -5.654 2.252 1.00 1.14 H new ATOM 0 HD13 ILE A 2 -17.287 -5.618 2.905 1.00 1.14 H new ATOM 27 N GLY A 3 -19.453 -3.469 -0.492 1.00 50.15 N ATOM 28 CA GLY A 3 -19.047 -4.053 -1.760 1.00 44.51 C ATOM 29 C GLY A 3 -19.805 -3.414 -2.925 1.00 63.12 C ATOM 30 O GLY A 3 -19.194 -2.900 -3.860 1.00 21.42 O ATOM 0 H GLY A 3 -20.299 -2.900 -0.536 1.00 50.15 H new ATOM 0 HA2 GLY A 3 -17.975 -3.917 -1.901 1.00 44.51 H new ATOM 0 HA3 GLY A 3 -19.233 -5.127 -1.746 1.00 44.51 H new ATOM 34 N ALA A 4 -21.126 -3.469 -2.829 1.00 13.45 N ATOM 35 CA ALA A 4 -21.973 -2.903 -3.865 1.00 23.33 C ATOM 36 C ALA A 4 -21.636 -1.420 -4.041 1.00 53.13 C ATOM 37 O ALA A 4 -20.956 -1.045 -4.995 1.00 52.45 O ATOM 38 CB ALA A 4 -23.443 -3.125 -3.499 1.00 41.23 C ATOM 0 H ALA A 4 -21.629 -3.896 -2.051 1.00 13.45 H new ATOM 0 HA ALA A 4 -21.794 -3.398 -4.819 1.00 23.33 H new ATOM 0 HB1 ALA A 4 -24.079 -2.701 -4.276 1.00 41.23 H new ATOM 0 HB2 ALA A 4 -23.639 -4.194 -3.413 1.00 41.23 H new ATOM 0 HB3 ALA A 4 -23.658 -2.639 -2.548 1.00 41.23 H new ATOM 44 N PHE A 5 -22.125 -0.619 -3.107 1.00 64.34 N ATOM 45 CA PHE A 5 -21.884 0.813 -3.148 1.00 44.21 C ATOM 46 C PHE A 5 -20.670 1.188 -2.294 1.00 20.34 C ATOM 47 O PHE A 5 -20.261 2.348 -2.267 1.00 54.24 O ATOM 48 CB PHE A 5 -23.127 1.493 -2.572 1.00 23.22 C ATOM 49 CG PHE A 5 -23.139 3.014 -2.740 1.00 25.32 C ATOM 50 CD1 PHE A 5 -22.531 3.804 -1.815 1.00 35.25 C ATOM 51 CD2 PHE A 5 -23.757 3.575 -3.814 1.00 10.51 C ATOM 52 CE1 PHE A 5 -22.542 5.216 -1.971 1.00 41.40 C ATOM 53 CE2 PHE A 5 -23.768 4.987 -3.969 1.00 55.13 C ATOM 54 CZ PHE A 5 -23.160 5.777 -3.044 1.00 54.21 C ATOM 0 H PHE A 5 -22.687 -0.934 -2.317 1.00 64.34 H new ATOM 0 HA PHE A 5 -21.686 1.128 -4.173 1.00 44.21 H new ATOM 0 HB2 PHE A 5 -24.012 1.078 -3.054 1.00 23.22 H new ATOM 0 HB3 PHE A 5 -23.200 1.254 -1.511 1.00 23.22 H new ATOM 0 HD1 PHE A 5 -22.040 3.358 -0.962 1.00 35.25 H new ATOM 0 HD2 PHE A 5 -24.239 2.947 -4.549 1.00 10.51 H new ATOM 0 HE1 PHE A 5 -22.059 5.844 -1.237 1.00 41.40 H new ATOM 0 HE2 PHE A 5 -24.259 5.433 -4.821 1.00 55.13 H new ATOM 0 HZ PHE A 5 -23.168 6.851 -3.162 1.00 54.21 H new ATOM 64 N GLY A 6 -20.130 0.187 -1.617 1.00 73.35 N ATOM 65 CA GLY A 6 -18.973 0.397 -0.764 1.00 74.23 C ATOM 66 C GLY A 6 -17.674 0.112 -1.523 1.00 32.15 C ATOM 67 O GLY A 6 -16.683 -0.309 -0.929 1.00 75.40 O ATOM 0 H GLY A 6 -20.473 -0.773 -1.642 1.00 73.35 H new ATOM 0 HA2 GLY A 6 -18.967 1.424 -0.399 1.00 74.23 H new ATOM 0 HA3 GLY A 6 -19.038 -0.252 0.110 1.00 74.23 H new ATOM 71 N LEU A 7 -17.722 0.356 -2.825 1.00 22.33 N ATOM 72 CA LEU A 7 -16.562 0.132 -3.671 1.00 23.03 C ATOM 73 C LEU A 7 -15.545 1.252 -3.441 1.00 34.40 C ATOM 74 O LEU A 7 -14.362 1.091 -3.737 1.00 41.31 O ATOM 75 CB LEU A 7 -16.988 -0.023 -5.132 1.00 54.43 C ATOM 76 CG LEU A 7 -16.017 -0.788 -6.035 1.00 35.13 C ATOM 77 CD1 LEU A 7 -16.774 -1.637 -7.058 1.00 75.13 C ATOM 78 CD2 LEU A 7 -15.023 0.164 -6.703 1.00 32.33 C ATOM 0 H LEU A 7 -18.546 0.706 -3.314 1.00 22.33 H new ATOM 0 HA LEU A 7 -16.070 -0.804 -3.406 1.00 23.03 H new ATOM 0 HB2 LEU A 7 -17.953 -0.530 -5.157 1.00 54.43 H new ATOM 0 HB3 LEU A 7 -17.139 0.971 -5.553 1.00 54.43 H new ATOM 0 HG LEU A 7 -15.439 -1.472 -5.413 1.00 35.13 H new ATOM 0 HD11 LEU A 7 -16.061 -2.170 -7.687 1.00 75.13 H new ATOM 0 HD12 LEU A 7 -17.407 -2.356 -6.537 1.00 75.13 H new ATOM 0 HD13 LEU A 7 -17.394 -0.991 -7.680 1.00 75.13 H new ATOM 0 HD21 LEU A 7 -14.345 -0.405 -7.339 1.00 32.33 H new ATOM 0 HD22 LEU A 7 -15.565 0.890 -7.309 1.00 32.33 H new ATOM 0 HD23 LEU A 7 -14.450 0.687 -5.938 1.00 32.33 H new ATOM 90 N LEU A 8 -16.044 2.362 -2.918 1.00 43.32 N ATOM 91 CA LEU A 8 -15.192 3.508 -2.645 1.00 33.53 C ATOM 92 C LEU A 8 -14.205 3.152 -1.533 1.00 64.54 C ATOM 93 O LEU A 8 -13.186 3.820 -1.365 1.00 10.33 O ATOM 94 CB LEU A 8 -16.041 4.744 -2.342 1.00 1.45 C ATOM 95 CG LEU A 8 -16.340 5.661 -3.531 1.00 71.43 C ATOM 96 CD1 LEU A 8 -15.068 6.353 -4.023 1.00 61.31 C ATOM 97 CD2 LEU A 8 -17.045 4.892 -4.651 1.00 51.41 C ATOM 0 H LEU A 8 -17.026 2.493 -2.676 1.00 43.32 H new ATOM 0 HA LEU A 8 -14.601 3.762 -3.525 1.00 33.53 H new ATOM 0 HB2 LEU A 8 -16.988 4.414 -1.916 1.00 1.45 H new ATOM 0 HB3 LEU A 8 -15.534 5.330 -1.575 1.00 1.45 H new ATOM 0 HG LEU A 8 -17.022 6.443 -3.197 1.00 71.43 H new ATOM 0 HD11 LEU A 8 -15.308 6.998 -4.868 1.00 61.31 H new ATOM 0 HD12 LEU A 8 -14.645 6.953 -3.217 1.00 61.31 H new ATOM 0 HD13 LEU A 8 -14.343 5.602 -4.335 1.00 61.31 H new ATOM 0 HD21 LEU A 8 -17.246 5.566 -5.484 1.00 51.41 H new ATOM 0 HD22 LEU A 8 -16.406 4.076 -4.990 1.00 51.41 H new ATOM 0 HD23 LEU A 8 -17.985 4.486 -4.278 1.00 51.41 H new ATOM 109 N GLY A 9 -14.542 2.100 -0.800 1.00 31.25 N ATOM 110 CA GLY A 9 -13.697 1.648 0.292 1.00 62.55 C ATOM 111 C GLY A 9 -12.879 0.422 -0.119 1.00 71.01 C ATOM 112 O GLY A 9 -12.149 -0.143 0.694 1.00 21.34 O ATOM 0 H GLY A 9 -15.388 1.548 -0.941 1.00 31.25 H new ATOM 0 HA2 GLY A 9 -13.026 2.452 0.595 1.00 62.55 H new ATOM 0 HA3 GLY A 9 -14.314 1.405 1.157 1.00 62.55 H new ATOM 116 N PHE A 10 -13.028 0.047 -1.381 1.00 23.41 N ATOM 117 CA PHE A 10 -12.312 -1.102 -1.910 1.00 31.11 C ATOM 118 C PHE A 10 -10.833 -0.774 -2.123 1.00 73.14 C ATOM 119 O PHE A 10 -9.959 -1.516 -1.677 1.00 64.24 O ATOM 120 CB PHE A 10 -12.947 -1.442 -3.260 1.00 3.34 C ATOM 121 CG PHE A 10 -12.995 -2.940 -3.566 1.00 12.42 C ATOM 122 CD1 PHE A 10 -11.842 -3.659 -3.625 1.00 12.31 C ATOM 123 CD2 PHE A 10 -14.190 -3.553 -3.778 1.00 1.24 C ATOM 124 CE1 PHE A 10 -11.887 -5.049 -3.909 1.00 53.42 C ATOM 125 CE2 PHE A 10 -14.235 -4.943 -4.062 1.00 1.31 C ATOM 126 CZ PHE A 10 -13.082 -5.662 -4.121 1.00 40.20 C ATOM 0 H PHE A 10 -13.634 0.518 -2.053 1.00 23.41 H new ATOM 0 HA PHE A 10 -12.375 -1.935 -1.210 1.00 31.11 H new ATOM 0 HB2 PHE A 10 -13.962 -1.044 -3.283 1.00 3.34 H new ATOM 0 HB3 PHE A 10 -12.389 -0.938 -4.049 1.00 3.34 H new ATOM 0 HD1 PHE A 10 -10.893 -3.173 -3.456 1.00 12.31 H new ATOM 0 HD2 PHE A 10 -15.105 -2.982 -3.730 1.00 1.24 H new ATOM 0 HE1 PHE A 10 -10.972 -5.620 -3.957 1.00 53.42 H new ATOM 0 HE2 PHE A 10 -15.184 -5.429 -4.231 1.00 1.31 H new ATOM 0 HZ PHE A 10 -13.116 -6.720 -4.336 1.00 40.20 H new ATOM 136 N LEU A 11 -10.598 0.337 -2.806 1.00 52.12 N ATOM 137 CA LEU A 11 -9.239 0.771 -3.083 1.00 73.54 C ATOM 138 C LEU A 11 -8.579 1.230 -1.782 1.00 70.40 C ATOM 139 O LEU A 11 -7.415 0.925 -1.531 1.00 42.22 O ATOM 140 CB LEU A 11 -9.231 1.831 -4.186 1.00 2.35 C ATOM 141 CG LEU A 11 -9.706 1.371 -5.564 1.00 74.03 C ATOM 142 CD1 LEU A 11 -8.904 2.049 -6.677 1.00 43.24 C ATOM 143 CD2 LEU A 11 -9.664 -0.155 -5.677 1.00 22.52 C ATOM 0 H LEU A 11 -11.325 0.949 -3.176 1.00 52.12 H new ATOM 0 HA LEU A 11 -8.644 -0.058 -3.465 1.00 73.54 H new ATOM 0 HB2 LEU A 11 -9.859 2.663 -3.867 1.00 2.35 H new ATOM 0 HB3 LEU A 11 -8.216 2.217 -4.284 1.00 2.35 H new ATOM 0 HG LEU A 11 -10.745 1.676 -5.685 1.00 74.03 H new ATOM 0 HD11 LEU A 11 -9.263 1.703 -7.646 1.00 43.24 H new ATOM 0 HD12 LEU A 11 -9.028 3.130 -6.608 1.00 43.24 H new ATOM 0 HD13 LEU A 11 -7.849 1.797 -6.570 1.00 43.24 H new ATOM 0 HD21 LEU A 11 -10.007 -0.456 -6.667 1.00 22.52 H new ATOM 0 HD22 LEU A 11 -8.642 -0.503 -5.525 1.00 22.52 H new ATOM 0 HD23 LEU A 11 -10.313 -0.594 -4.919 1.00 22.52 H new ATOM 155 N ALA A 12 -9.352 1.957 -0.989 1.00 22.33 N ATOM 156 CA ALA A 12 -8.857 2.462 0.281 1.00 72.21 C ATOM 157 C ALA A 12 -8.297 1.300 1.104 1.00 52.02 C ATOM 158 O ALA A 12 -7.389 1.488 1.911 1.00 44.44 O ATOM 159 CB ALA A 12 -9.980 3.204 1.008 1.00 2.23 C ATOM 0 H ALA A 12 -10.317 2.209 -1.201 1.00 22.33 H new ATOM 0 HA ALA A 12 -8.047 3.173 0.122 1.00 72.21 H new ATOM 0 HB1 ALA A 12 -9.609 3.583 1.960 1.00 2.23 H new ATOM 0 HB2 ALA A 12 -10.322 4.038 0.395 1.00 2.23 H new ATOM 0 HB3 ALA A 12 -10.810 2.521 1.188 1.00 2.23 H new ATOM 165 N ALA A 13 -8.862 0.125 0.869 1.00 23.50 N ATOM 166 CA ALA A 13 -8.431 -1.068 1.579 1.00 23.04 C ATOM 167 C ALA A 13 -7.028 -1.455 1.111 1.00 12.52 C ATOM 168 O ALA A 13 -6.171 -1.799 1.923 1.00 70.25 O ATOM 169 CB ALA A 13 -9.449 -2.188 1.359 1.00 64.33 C ATOM 0 H ALA A 13 -9.614 -0.027 0.197 1.00 23.50 H new ATOM 0 HA ALA A 13 -8.380 -0.880 2.651 1.00 23.04 H new ATOM 0 HB1 ALA A 13 -9.126 -3.083 1.891 1.00 64.33 H new ATOM 0 HB2 ALA A 13 -10.423 -1.874 1.735 1.00 64.33 H new ATOM 0 HB3 ALA A 13 -9.525 -2.407 0.294 1.00 64.33 H new ATOM 175 N GLY A 14 -6.834 -1.385 -0.199 1.00 24.05 N ATOM 176 CA GLY A 14 -5.548 -1.723 -0.785 1.00 23.51 C ATOM 177 C GLY A 14 -4.499 -0.659 -0.457 1.00 60.25 C ATOM 178 O GLY A 14 -3.321 -0.974 -0.293 1.00 11.10 O ATOM 0 H GLY A 14 -7.546 -1.099 -0.871 1.00 24.05 H new ATOM 0 HA2 GLY A 14 -5.217 -2.692 -0.411 1.00 23.51 H new ATOM 0 HA3 GLY A 14 -5.650 -1.817 -1.866 1.00 23.51 H new ATOM 182 N SER A 15 -4.964 0.578 -0.370 1.00 62.22 N ATOM 183 CA SER A 15 -4.080 1.690 -0.064 1.00 43.10 C ATOM 184 C SER A 15 -3.408 1.467 1.292 1.00 41.13 C ATOM 185 O SER A 15 -2.357 2.041 1.571 1.00 34.02 O ATOM 186 CB SER A 15 -4.842 3.016 -0.066 1.00 34.43 C ATOM 187 OG SER A 15 -3.994 4.119 -0.375 1.00 30.14 O ATOM 0 H SER A 15 -5.942 0.835 -0.506 1.00 62.22 H new ATOM 0 HA SER A 15 -3.314 1.740 -0.838 1.00 43.10 H new ATOM 0 HB2 SER A 15 -5.653 2.967 -0.793 1.00 34.43 H new ATOM 0 HB3 SER A 15 -5.299 3.173 0.911 1.00 34.43 H new ATOM 0 HG SER A 15 -4.518 4.947 -0.368 1.00 30.14 H new ATOM 193 N LYS A 16 -4.043 0.630 2.101 1.00 23.04 N ATOM 194 CA LYS A 16 -3.520 0.324 3.421 1.00 50.41 C ATOM 195 C LYS A 16 -2.074 -0.162 3.292 1.00 30.20 C ATOM 196 O LYS A 16 -1.183 0.342 3.973 1.00 44.34 O ATOM 197 CB LYS A 16 -4.437 -0.662 4.146 1.00 64.33 C ATOM 198 CG LYS A 16 -5.810 -0.040 4.409 1.00 65.21 C ATOM 199 CD LYS A 16 -5.799 0.792 5.693 1.00 42.14 C ATOM 200 CE LYS A 16 -6.414 2.173 5.458 1.00 62.42 C ATOM 201 NZ LYS A 16 -5.617 2.934 4.472 1.00 22.52 N ATOM 0 H LYS A 16 -4.915 0.155 1.867 1.00 23.04 H new ATOM 0 HA LYS A 16 -3.502 1.221 4.040 1.00 50.41 H new ATOM 0 HB2 LYS A 16 -4.552 -1.566 3.547 1.00 64.33 H new ATOM 0 HB3 LYS A 16 -3.982 -0.961 5.090 1.00 64.33 H new ATOM 0 HG2 LYS A 16 -6.095 0.590 3.566 1.00 65.21 H new ATOM 0 HG3 LYS A 16 -6.560 -0.827 4.488 1.00 65.21 H new ATOM 0 HD2 LYS A 16 -6.354 0.271 6.473 1.00 42.14 H new ATOM 0 HD3 LYS A 16 -4.775 0.902 6.050 1.00 42.14 H new ATOM 0 HE2 LYS A 16 -7.438 2.065 5.101 1.00 62.42 H new ATOM 0 HE3 LYS A 16 -6.460 2.722 6.399 1.00 62.42 H new ATOM 0 HZ1 LYS A 16 -5.944 3.921 4.449 1.00 22.52 H new ATOM 0 HZ2 LYS A 16 -4.613 2.908 4.743 1.00 22.52 H new ATOM 0 HZ3 LYS A 16 -5.733 2.509 3.530 1.00 22.52 H new ATOM 214 N LYS A 17 -1.888 -1.136 2.413 1.00 3.11 N ATOM 215 CA LYS A 17 -0.566 -1.697 2.186 1.00 24.54 C ATOM 216 C LYS A 17 0.046 -1.057 0.939 1.00 31.33 C ATOM 217 O LYS A 17 1.088 -0.407 1.018 1.00 54.11 O ATOM 218 CB LYS A 17 -0.636 -3.223 2.123 1.00 70.13 C ATOM 219 CG LYS A 17 -0.094 -3.851 3.409 1.00 50.40 C ATOM 220 CD LYS A 17 0.246 -5.327 3.198 1.00 60.43 C ATOM 221 CE LYS A 17 1.677 -5.494 2.686 1.00 1.22 C ATOM 222 NZ LYS A 17 1.684 -5.673 1.217 1.00 54.04 N ATOM 0 H LYS A 17 -2.630 -1.551 1.850 1.00 3.11 H new ATOM 0 HA LYS A 17 0.095 -1.466 3.021 1.00 24.54 H new ATOM 0 HB2 LYS A 17 -1.668 -3.537 1.968 1.00 70.13 H new ATOM 0 HB3 LYS A 17 -0.062 -3.582 1.269 1.00 70.13 H new ATOM 0 HG2 LYS A 17 0.796 -3.312 3.734 1.00 50.40 H new ATOM 0 HG3 LYS A 17 -0.833 -3.755 4.204 1.00 50.40 H new ATOM 0 HD2 LYS A 17 0.127 -5.869 4.136 1.00 60.43 H new ATOM 0 HD3 LYS A 17 -0.452 -5.766 2.485 1.00 60.43 H new ATOM 0 HE2 LYS A 17 2.270 -4.620 2.955 1.00 1.22 H new ATOM 0 HE3 LYS A 17 2.143 -6.355 3.165 1.00 1.22 H new ATOM 0 HZ1 LYS A 17 2.533 -6.203 0.936 1.00 54.04 H new ATOM 0 HZ2 LYS A 17 0.835 -6.200 0.927 1.00 54.04 H new ATOM 0 HZ3 LYS A 17 1.688 -4.742 0.754 1.00 54.04 H new HETATM 235 C1 ACA A 18 0.974 -4.488 -5.303 1.00 61.43 C HETATM 236 O1 ACA A 18 1.414 -5.535 -4.830 1.00 33.41 O HETATM 237 C2 ACA A 18 -0.331 -4.372 -4.614 1.00 22.12 C HETATM 238 C3 ACA A 18 -0.787 -2.912 -4.574 1.00 21.45 C HETATM 239 C4 ACA A 18 0.005 -2.117 -3.534 1.00 55.14 C HETATM 240 C5 ACA A 18 -0.931 -1.330 -2.615 1.00 2.33 C HETATM 241 C6 ACA A 18 -0.161 -0.713 -1.446 1.00 30.33 C HETATM 242 N6 ACA A 18 -0.626 -1.262 -0.184 1.00 31.34 N HETATM 0 HN61 ACA A 18 -1.370 -1.960 -0.175 1.00 31.34 H new HETATM 0 H62 ACA A 18 0.905 -0.907 -1.563 1.00 30.33 H new HETATM 0 H61 ACA A 18 -0.291 0.369 -1.448 1.00 30.33 H new HETATM 0 H52 ACA A 18 -1.428 -0.544 -3.183 1.00 2.33 H new HETATM 0 H51 ACA A 18 -1.711 -1.989 -2.234 1.00 2.33 H new HETATM 0 H42 ACA A 18 0.616 -2.796 -2.940 1.00 55.14 H new HETATM 0 H41 ACA A 18 0.687 -1.432 -4.037 1.00 55.14 H new HETATM 0 H32 ACA A 18 -0.658 -2.460 -5.558 1.00 21.45 H new HETATM 0 H31 ACA A 18 -1.850 -2.866 -4.339 1.00 21.45 H new HETATM 0 H22 ACA A 18 -1.076 -4.978 -5.129 1.00 22.12 H new HETATM 0 H21 ACA A 18 -0.249 -4.762 -3.599 1.00 22.12 H new ATOM 254 N LYS A 19 0.875 -4.233 -6.598 1.00 15.01 N ATOM 255 CA LYS A 19 1.296 -5.209 -7.589 1.00 60.31 C ATOM 256 C LYS A 19 2.790 -5.034 -7.869 1.00 61.41 C ATOM 257 O LYS A 19 3.584 -5.938 -7.610 1.00 22.02 O ATOM 258 CB LYS A 19 0.421 -5.116 -8.840 1.00 61.12 C ATOM 259 CG LYS A 19 0.952 -6.025 -9.951 1.00 4.50 C ATOM 260 CD LYS A 19 -0.186 -6.526 -10.841 1.00 51.32 C ATOM 261 CE LYS A 19 -0.694 -5.413 -11.760 1.00 14.20 C ATOM 262 NZ LYS A 19 -2.166 -5.480 -11.892 1.00 61.20 N ATOM 0 HA LYS A 19 1.159 -6.221 -7.208 1.00 60.31 H new ATOM 0 HB2 LYS A 19 -0.603 -5.397 -8.594 1.00 61.12 H new ATOM 0 HB3 LYS A 19 0.392 -4.085 -9.192 1.00 61.12 H new ATOM 0 HG2 LYS A 19 1.678 -5.481 -10.555 1.00 4.50 H new ATOM 0 HG3 LYS A 19 1.476 -6.874 -9.512 1.00 4.50 H new ATOM 0 HD2 LYS A 19 0.160 -7.368 -11.441 1.00 51.32 H new ATOM 0 HD3 LYS A 19 -1.004 -6.892 -10.220 1.00 51.32 H new ATOM 0 HE2 LYS A 19 -0.403 -4.442 -11.360 1.00 14.20 H new ATOM 0 HE3 LYS A 19 -0.231 -5.505 -12.742 1.00 14.20 H new ATOM 0 HZ1 LYS A 19 -2.493 -4.718 -12.519 1.00 61.20 H new ATOM 0 HZ2 LYS A 19 -2.437 -6.400 -12.295 1.00 61.20 H new ATOM 0 HZ3 LYS A 19 -2.604 -5.370 -10.955 1.00 61.20 H new ATOM 275 N ASN A 20 3.128 -3.866 -8.394 1.00 4.12 N ATOM 276 CA ASN A 20 4.512 -3.560 -8.712 1.00 64.32 C ATOM 277 C ASN A 20 4.873 -2.189 -8.136 1.00 61.13 C ATOM 278 O ASN A 20 4.010 -1.325 -7.995 1.00 11.44 O ATOM 279 CB ASN A 20 4.731 -3.510 -10.225 1.00 53.41 C ATOM 280 CG ASN A 20 4.955 -4.913 -10.794 1.00 3.44 C ATOM 281 OD1 ASN A 20 4.068 -5.529 -11.360 1.00 72.33 O ATOM 282 ND2 ASN A 20 6.187 -5.379 -10.613 1.00 33.11 N ATOM 0 H ASN A 20 2.467 -3.119 -8.607 1.00 4.12 H new ATOM 0 HA ASN A 20 5.137 -4.343 -8.283 1.00 64.32 H new ATOM 0 HB2 ASN A 20 3.867 -3.052 -10.706 1.00 53.41 H new ATOM 0 HB3 ASN A 20 5.592 -2.881 -10.451 1.00 53.41 H new ATOM 0 HD21 ASN A 20 6.437 -6.306 -10.957 1.00 33.11 H new ATOM 0 HD22 ASN A 20 6.882 -4.810 -10.130 1.00 33.11 H new ATOM 289 N GLU A 21 6.150 -2.035 -7.818 1.00 45.01 N ATOM 290 CA GLU A 21 6.635 -0.784 -7.260 1.00 10.30 C ATOM 291 C GLU A 21 6.212 0.391 -8.143 1.00 13.35 C ATOM 292 O GLU A 21 5.744 1.413 -7.643 1.00 65.24 O ATOM 293 CB GLU A 21 8.154 -0.817 -7.081 1.00 42.52 C ATOM 294 CG GLU A 21 8.862 -0.974 -8.428 1.00 1.10 C ATOM 295 CD GLU A 21 10.376 -1.098 -8.241 1.00 61.22 C ATOM 296 OE1 GLU A 21 10.834 -1.555 -7.183 1.00 23.23 O ATOM 297 OE2 GLU A 21 11.083 -0.702 -9.244 1.00 52.32 O ATOM 0 H GLU A 21 6.863 -2.755 -7.936 1.00 45.01 H new ATOM 0 HA GLU A 21 6.189 -0.651 -6.275 1.00 10.30 H new ATOM 0 HB2 GLU A 21 8.487 0.101 -6.596 1.00 42.52 H new ATOM 0 HB3 GLU A 21 8.428 -1.642 -6.424 1.00 42.52 H new ATOM 0 HG2 GLU A 21 8.482 -1.857 -8.942 1.00 1.10 H new ATOM 0 HG3 GLU A 21 8.639 -0.116 -9.062 1.00 1.10 H new ATOM 305 N GLN A 22 6.393 0.208 -9.444 1.00 45.22 N ATOM 306 CA GLN A 22 6.037 1.239 -10.402 1.00 10.14 C ATOM 307 C GLN A 22 4.632 1.772 -10.111 1.00 4.52 C ATOM 308 O GLN A 22 4.387 2.974 -10.210 1.00 50.13 O ATOM 309 CB GLN A 22 6.137 0.715 -11.835 1.00 15.03 C ATOM 310 CG GLN A 22 7.598 0.579 -12.268 1.00 15.41 C ATOM 311 CD GLN A 22 7.941 1.585 -13.370 1.00 65.03 C ATOM 312 OE1 GLN A 22 8.363 1.233 -14.458 1.00 53.02 O ATOM 313 NE2 GLN A 22 7.734 2.854 -13.026 1.00 41.25 N ATOM 0 H GLN A 22 6.782 -0.640 -9.856 1.00 45.22 H new ATOM 0 HA GLN A 22 6.745 2.061 -10.300 1.00 10.14 H new ATOM 0 HB2 GLN A 22 5.641 -0.253 -11.908 1.00 15.03 H new ATOM 0 HB3 GLN A 22 5.615 1.392 -12.511 1.00 15.03 H new ATOM 0 HG2 GLN A 22 8.251 0.738 -11.410 1.00 15.41 H new ATOM 0 HG3 GLN A 22 7.782 -0.434 -12.626 1.00 15.41 H new ATOM 0 HE21 GLN A 22 7.378 3.079 -12.097 1.00 41.25 H new ATOM 0 HE22 GLN A 22 7.931 3.601 -13.692 1.00 41.25 H new ATOM 322 N GLU A 23 3.747 0.852 -9.756 1.00 60.33 N ATOM 323 CA GLU A 23 2.373 1.214 -9.450 1.00 52.05 C ATOM 324 C GLU A 23 2.334 2.206 -8.286 1.00 20.45 C ATOM 325 O GLU A 23 1.562 3.165 -8.309 1.00 51.30 O ATOM 326 CB GLU A 23 1.536 -0.028 -9.141 1.00 63.43 C ATOM 327 CG GLU A 23 0.046 0.317 -9.075 1.00 4.04 C ATOM 328 CD GLU A 23 -0.742 -0.451 -10.137 1.00 73.22 C ATOM 329 OE1 GLU A 23 -1.587 0.136 -10.828 1.00 14.41 O ATOM 330 OE2 GLU A 23 -0.451 -1.705 -10.231 1.00 61.12 O ATOM 0 H GLU A 23 3.954 -0.143 -9.673 1.00 60.33 H new ATOM 0 HA GLU A 23 1.939 1.695 -10.327 1.00 52.05 H new ATOM 0 HB2 GLU A 23 1.704 -0.784 -9.908 1.00 63.43 H new ATOM 0 HB3 GLU A 23 1.855 -0.459 -8.192 1.00 63.43 H new ATOM 0 HG2 GLU A 23 -0.343 0.078 -8.085 1.00 4.04 H new ATOM 0 HG3 GLU A 23 -0.090 1.389 -9.221 1.00 4.04 H new ATOM 338 N LEU A 24 3.173 1.942 -7.296 1.00 24.41 N ATOM 339 CA LEU A 24 3.243 2.801 -6.125 1.00 34.21 C ATOM 340 C LEU A 24 3.629 4.216 -6.559 1.00 3.50 C ATOM 341 O LEU A 24 2.903 5.172 -6.287 1.00 41.33 O ATOM 342 CB LEU A 24 4.182 2.200 -5.077 1.00 22.23 C ATOM 343 CG LEU A 24 3.697 2.265 -3.627 1.00 44.01 C ATOM 344 CD1 LEU A 24 3.246 3.681 -3.261 1.00 74.11 C ATOM 345 CD2 LEU A 24 2.600 1.230 -3.369 1.00 61.42 C ATOM 0 H LEU A 24 3.810 1.146 -7.280 1.00 24.41 H new ATOM 0 HA LEU A 24 2.268 2.871 -5.643 1.00 34.21 H new ATOM 0 HB2 LEU A 24 4.360 1.156 -5.333 1.00 22.23 H new ATOM 0 HB3 LEU A 24 5.142 2.712 -5.142 1.00 22.23 H new ATOM 0 HG LEU A 24 4.535 2.016 -2.976 1.00 44.01 H new ATOM 0 HD11 LEU A 24 2.906 3.698 -2.225 1.00 74.11 H new ATOM 0 HD12 LEU A 24 4.081 4.371 -3.381 1.00 74.11 H new ATOM 0 HD13 LEU A 24 2.429 3.983 -3.916 1.00 74.11 H new ATOM 0 HD21 LEU A 24 2.273 1.297 -2.331 1.00 61.42 H new ATOM 0 HD22 LEU A 24 1.755 1.424 -4.029 1.00 61.42 H new ATOM 0 HD23 LEU A 24 2.990 0.231 -3.562 1.00 61.42 H new ATOM 357 N LEU A 25 4.771 4.306 -7.225 1.00 5.43 N ATOM 358 CA LEU A 25 5.262 5.589 -7.698 1.00 52.13 C ATOM 359 C LEU A 25 4.219 6.221 -8.622 1.00 41.34 C ATOM 360 O LEU A 25 4.157 7.442 -8.751 1.00 3.20 O ATOM 361 CB LEU A 25 6.640 5.431 -8.344 1.00 70.43 C ATOM 362 CG LEU A 25 7.732 4.831 -7.456 1.00 53.14 C ATOM 363 CD1 LEU A 25 7.520 5.216 -5.990 1.00 11.54 C ATOM 364 CD2 LEU A 25 7.820 3.314 -7.642 1.00 21.43 C ATOM 0 H LEU A 25 5.370 3.511 -7.448 1.00 5.43 H new ATOM 0 HA LEU A 25 5.404 6.273 -6.862 1.00 52.13 H new ATOM 0 HB2 LEU A 25 6.534 4.804 -9.230 1.00 70.43 H new ATOM 0 HB3 LEU A 25 6.974 6.411 -8.685 1.00 70.43 H new ATOM 0 HG LEU A 25 8.690 5.250 -7.765 1.00 53.14 H new ATOM 0 HD11 LEU A 25 8.310 4.777 -5.381 1.00 11.54 H new ATOM 0 HD12 LEU A 25 7.547 6.301 -5.891 1.00 11.54 H new ATOM 0 HD13 LEU A 25 6.552 4.845 -5.653 1.00 11.54 H new ATOM 0 HD21 LEU A 25 8.604 2.913 -6.999 1.00 21.43 H new ATOM 0 HD22 LEU A 25 6.866 2.859 -7.377 1.00 21.43 H new ATOM 0 HD23 LEU A 25 8.053 3.088 -8.682 1.00 21.43 H new ATOM 376 N GLU A 26 3.425 5.359 -9.241 1.00 54.32 N ATOM 377 CA GLU A 26 2.388 5.818 -10.149 1.00 61.52 C ATOM 378 C GLU A 26 1.402 6.726 -9.414 1.00 25.42 C ATOM 379 O GLU A 26 1.021 7.779 -9.924 1.00 50.11 O ATOM 380 CB GLU A 26 1.665 4.635 -10.797 1.00 22.54 C ATOM 381 CG GLU A 26 1.676 4.754 -12.323 1.00 2.51 C ATOM 382 CD GLU A 26 1.052 3.517 -12.974 1.00 11.45 C ATOM 383 OE1 GLU A 26 1.769 2.560 -13.297 1.00 74.14 O ATOM 384 OE2 GLU A 26 -0.225 3.576 -13.140 1.00 55.13 O ATOM 0 H GLU A 26 3.479 4.346 -9.131 1.00 54.32 H new ATOM 0 HA GLU A 26 2.859 6.395 -10.945 1.00 61.52 H new ATOM 0 HB2 GLU A 26 2.145 3.703 -10.498 1.00 22.54 H new ATOM 0 HB3 GLU A 26 0.636 4.593 -10.439 1.00 22.54 H new ATOM 0 HG2 GLU A 26 1.126 5.645 -12.626 1.00 2.51 H new ATOM 0 HG3 GLU A 26 2.700 4.877 -12.674 1.00 2.51 H new ATOM 392 N LEU A 27 1.015 6.287 -8.224 1.00 13.01 N ATOM 393 CA LEU A 27 0.080 7.048 -7.413 1.00 34.22 C ATOM 394 C LEU A 27 0.830 8.178 -6.703 1.00 60.10 C ATOM 395 O LEU A 27 0.248 9.217 -6.398 1.00 14.15 O ATOM 396 CB LEU A 27 -0.681 6.122 -6.462 1.00 55.43 C ATOM 397 CG LEU A 27 -1.644 5.131 -7.118 1.00 52.13 C ATOM 398 CD1 LEU A 27 -3.097 5.562 -6.914 1.00 23.13 C ATOM 399 CD2 LEU A 27 -1.306 4.936 -8.597 1.00 72.30 C ATOM 0 H LEU A 27 1.332 5.414 -7.803 1.00 13.01 H new ATOM 0 HA LEU A 27 -0.679 7.514 -8.042 1.00 34.22 H new ATOM 0 HB2 LEU A 27 0.046 5.559 -5.877 1.00 55.43 H new ATOM 0 HB3 LEU A 27 -1.246 6.738 -5.762 1.00 55.43 H new ATOM 0 HG LEU A 27 -1.524 4.164 -6.630 1.00 52.13 H new ATOM 0 HD11 LEU A 27 -3.761 4.840 -7.390 1.00 23.13 H new ATOM 0 HD12 LEU A 27 -3.316 5.608 -5.847 1.00 23.13 H new ATOM 0 HD13 LEU A 27 -3.251 6.545 -7.359 1.00 23.13 H new ATOM 0 HD21 LEU A 27 -2.005 4.227 -9.040 1.00 72.30 H new ATOM 0 HD22 LEU A 27 -1.381 5.891 -9.116 1.00 72.30 H new ATOM 0 HD23 LEU A 27 -0.291 4.551 -8.690 1.00 72.30 H new ATOM 411 N ASP A 28 2.109 7.935 -6.461 1.00 70.33 N ATOM 412 CA ASP A 28 2.944 8.919 -5.793 1.00 63.13 C ATOM 413 C ASP A 28 3.030 10.178 -6.656 1.00 21.25 C ATOM 414 O ASP A 28 3.352 11.256 -6.158 1.00 5.22 O ATOM 415 CB ASP A 28 4.364 8.388 -5.589 1.00 43.33 C ATOM 416 CG ASP A 28 5.185 9.128 -4.530 1.00 51.31 C ATOM 417 OD1 ASP A 28 5.066 10.352 -4.370 1.00 54.11 O ATOM 418 OD2 ASP A 28 5.986 8.385 -3.844 1.00 25.33 O ATOM 0 H ASP A 28 2.588 7.071 -6.715 1.00 70.33 H new ATOM 0 HA ASP A 28 2.498 9.138 -4.823 1.00 63.13 H new ATOM 0 HB2 ASP A 28 4.306 7.335 -5.312 1.00 43.33 H new ATOM 0 HB3 ASP A 28 4.895 8.439 -6.540 1.00 43.33 H new ATOM 424 N LYS A 29 2.737 10.001 -7.936 1.00 14.23 N ATOM 425 CA LYS A 29 2.777 11.111 -8.873 1.00 13.10 C ATOM 426 C LYS A 29 1.513 11.956 -8.711 1.00 11.12 C ATOM 427 O LYS A 29 1.341 12.962 -9.399 1.00 42.43 O ATOM 428 CB LYS A 29 2.997 10.601 -10.300 1.00 64.44 C ATOM 429 CG LYS A 29 4.393 9.995 -10.456 1.00 15.33 C ATOM 430 CD LYS A 29 5.436 11.085 -10.709 1.00 14.42 C ATOM 431 CE LYS A 29 6.465 10.629 -11.747 1.00 21.10 C ATOM 432 NZ LYS A 29 7.430 11.714 -12.031 1.00 53.33 N ATOM 0 H LYS A 29 2.471 9.106 -8.346 1.00 14.23 H new ATOM 0 HA LYS A 29 3.625 11.761 -8.657 1.00 13.10 H new ATOM 0 HB2 LYS A 29 2.243 9.853 -10.543 1.00 64.44 H new ATOM 0 HB3 LYS A 29 2.872 11.421 -11.007 1.00 64.44 H new ATOM 0 HG2 LYS A 29 4.654 9.438 -9.557 1.00 15.33 H new ATOM 0 HG3 LYS A 29 4.395 9.285 -11.283 1.00 15.33 H new ATOM 0 HD2 LYS A 29 4.942 11.993 -11.056 1.00 14.42 H new ATOM 0 HD3 LYS A 29 5.941 11.334 -9.776 1.00 14.42 H new ATOM 0 HE2 LYS A 29 6.995 9.750 -11.381 1.00 21.10 H new ATOM 0 HE3 LYS A 29 5.958 10.336 -12.666 1.00 21.10 H new ATOM 0 HZ1 LYS A 29 8.121 11.388 -12.737 1.00 53.33 H new ATOM 0 HZ2 LYS A 29 6.922 12.543 -12.401 1.00 53.33 H new ATOM 0 HZ3 LYS A 29 7.927 11.975 -11.155 1.00 53.33 H new ATOM 445 N TRP A 30 0.660 11.518 -7.797 1.00 70.42 N ATOM 446 CA TRP A 30 -0.585 12.222 -7.535 1.00 53.44 C ATOM 447 C TRP A 30 -0.288 13.723 -7.542 1.00 62.52 C ATOM 448 O TRP A 30 -0.891 14.475 -8.307 1.00 41.25 O ATOM 449 CB TRP A 30 -1.221 11.744 -6.229 1.00 60.25 C ATOM 450 CG TRP A 30 -2.172 10.557 -6.397 1.00 54.14 C ATOM 451 CD1 TRP A 30 -2.188 9.408 -5.709 1.00 43.44 C ATOM 452 CD2 TRP A 30 -3.252 10.450 -7.348 1.00 72.52 C ATOM 453 NE1 TRP A 30 -3.194 8.571 -6.144 1.00 63.23 N ATOM 454 CE2 TRP A 30 -3.863 9.225 -7.173 1.00 44.45 C ATOM 455 CE3 TRP A 30 -3.699 11.358 -8.324 1.00 62.23 C ATOM 456 CZ2 TRP A 30 -4.954 8.796 -7.937 1.00 73.13 C ATOM 457 CZ3 TRP A 30 -4.791 10.914 -9.079 1.00 53.11 C ATOM 458 CH2 TRP A 30 -5.417 9.684 -8.915 1.00 54.34 C ATOM 0 H TRP A 30 0.806 10.684 -7.228 1.00 70.42 H new ATOM 0 HA TRP A 30 -1.320 12.008 -8.311 1.00 53.44 H new ATOM 0 HB2 TRP A 30 -0.430 11.467 -5.532 1.00 60.25 H new ATOM 0 HB3 TRP A 30 -1.767 12.573 -5.778 1.00 60.25 H new ATOM 0 HD1 TRP A 30 -1.499 9.167 -4.913 1.00 43.44 H new ATOM 0 HE1 TRP A 30 -3.408 7.643 -5.778 1.00 63.23 H new ATOM 0 HE3 TRP A 30 -3.237 12.322 -8.479 1.00 62.23 H new ATOM 0 HZ2 TRP A 30 -5.414 7.832 -7.780 1.00 73.13 H new ATOM 0 HZ3 TRP A 30 -5.174 11.574 -9.843 1.00 53.11 H new ATOM 0 HH2 TRP A 30 -6.256 9.415 -9.539 1.00 54.34 H new ATOM 469 N ALA A 31 0.639 14.114 -6.680 1.00 3.21 N ATOM 470 CA ALA A 31 1.022 15.512 -6.577 1.00 25.31 C ATOM 471 C ALA A 31 1.500 16.008 -7.943 1.00 54.11 C ATOM 472 O ALA A 31 0.976 16.988 -8.471 1.00 64.25 O ATOM 473 CB ALA A 31 2.090 15.670 -5.492 1.00 31.22 C ATOM 0 H ALA A 31 1.136 13.488 -6.047 1.00 3.21 H new ATOM 0 HA ALA A 31 0.168 16.123 -6.285 1.00 25.31 H new ATOM 0 HB1 ALA A 31 2.378 16.719 -5.414 1.00 31.22 H new ATOM 0 HB2 ALA A 31 1.690 15.332 -4.536 1.00 31.22 H new ATOM 0 HB3 ALA A 31 2.964 15.072 -5.752 1.00 31.22 H new ATOM 479 N SER A 32 2.491 15.308 -8.477 1.00 44.35 N ATOM 480 CA SER A 32 3.046 15.665 -9.772 1.00 23.00 C ATOM 481 C SER A 32 1.931 16.140 -10.706 1.00 43.14 C ATOM 482 O SER A 32 2.162 16.977 -11.576 1.00 32.55 O ATOM 483 CB SER A 32 3.793 14.484 -10.394 1.00 32.35 C ATOM 484 OG SER A 32 4.997 14.893 -11.036 1.00 14.54 O ATOM 0 H SER A 32 2.924 14.496 -8.037 1.00 44.35 H new ATOM 0 HA SER A 32 3.760 16.476 -9.627 1.00 23.00 H new ATOM 0 HB2 SER A 32 4.025 13.753 -9.619 1.00 32.35 H new ATOM 0 HB3 SER A 32 3.147 13.987 -11.118 1.00 32.35 H new ATOM 0 HG SER A 32 5.446 14.110 -11.419 1.00 14.54 H new ATOM 490 N LEU A 33 0.747 15.584 -10.493 1.00 2.53 N ATOM 491 CA LEU A 33 -0.403 15.942 -11.305 1.00 32.52 C ATOM 492 C LEU A 33 -0.700 17.432 -11.134 1.00 4.42 C ATOM 493 O LEU A 33 -0.657 18.193 -12.100 1.00 55.20 O ATOM 494 CB LEU A 33 -1.592 15.037 -10.977 1.00 70.34 C ATOM 495 CG LEU A 33 -2.609 14.830 -12.102 1.00 24.14 C ATOM 496 CD1 LEU A 33 -2.034 13.940 -13.204 1.00 73.05 C ATOM 497 CD2 LEU A 33 -3.930 14.284 -11.554 1.00 51.54 C ATOM 0 H LEU A 33 0.560 14.889 -9.770 1.00 2.53 H new ATOM 0 HA LEU A 33 -0.188 15.779 -12.361 1.00 32.52 H new ATOM 0 HB2 LEU A 33 -1.209 14.062 -10.677 1.00 70.34 H new ATOM 0 HB3 LEU A 33 -2.113 15.454 -10.115 1.00 70.34 H new ATOM 0 HG LEU A 33 -2.823 15.800 -12.551 1.00 24.14 H new ATOM 0 HD11 LEU A 33 -2.777 13.809 -13.991 1.00 73.05 H new ATOM 0 HD12 LEU A 33 -1.142 14.408 -13.621 1.00 73.05 H new ATOM 0 HD13 LEU A 33 -1.772 12.968 -12.787 1.00 73.05 H new ATOM 0 HD21 LEU A 33 -4.635 14.146 -12.374 1.00 51.54 H new ATOM 0 HD22 LEU A 33 -3.753 13.327 -11.063 1.00 51.54 H new ATOM 0 HD23 LEU A 33 -4.345 14.990 -10.834 1.00 51.54 H new ATOM 509 N TRP A 34 -0.996 17.806 -9.897 1.00 34.05 N ATOM 510 CA TRP A 34 -1.300 19.193 -9.588 1.00 43.35 C ATOM 511 C TRP A 34 0.009 19.892 -9.213 1.00 71.14 C ATOM 512 O TRP A 34 0.404 20.863 -9.857 1.00 44.33 O ATOM 513 CB TRP A 34 -2.363 19.290 -8.492 1.00 32.54 C ATOM 514 CG TRP A 34 -1.916 18.733 -7.139 1.00 33.05 C ATOM 515 CD1 TRP A 34 -2.085 17.492 -6.661 1.00 14.13 C ATOM 516 CD2 TRP A 34 -1.216 19.452 -6.103 1.00 2.41 C ATOM 517 NE1 TRP A 34 -1.545 17.360 -5.398 1.00 34.23 N ATOM 518 CE2 TRP A 34 -1.000 18.589 -5.048 1.00 65.11 C ATOM 519 CE3 TRP A 34 -0.778 20.788 -6.059 1.00 41.14 C ATOM 520 CZ2 TRP A 34 -0.341 18.967 -3.871 1.00 35.32 C ATOM 521 CZ3 TRP A 34 -0.121 21.149 -4.877 1.00 61.15 C ATOM 522 CH2 TRP A 34 0.104 20.292 -3.805 1.00 25.14 C ATOM 0 H TRP A 34 -1.032 17.173 -9.098 1.00 34.05 H new ATOM 0 HA TRP A 34 -1.728 19.696 -10.455 1.00 43.35 H new ATOM 0 HB2 TRP A 34 -2.647 20.335 -8.367 1.00 32.54 H new ATOM 0 HB3 TRP A 34 -3.255 18.754 -8.817 1.00 32.54 H new ATOM 0 HD1 TRP A 34 -2.581 16.696 -7.197 1.00 14.13 H new ATOM 0 HE1 TRP A 34 -1.546 16.515 -4.826 1.00 34.23 H new ATOM 0 HE3 TRP A 34 -0.936 21.480 -6.873 1.00 41.14 H new ATOM 0 HZ2 TRP A 34 -0.185 18.273 -3.058 1.00 35.32 H new ATOM 0 HZ3 TRP A 34 0.236 22.165 -4.791 1.00 61.15 H new ATOM 0 HH2 TRP A 34 0.620 20.648 -2.925 1.00 25.14 H new ATOM 533 N ASN A 35 0.645 19.370 -8.174 1.00 35.22 N ATOM 534 CA ASN A 35 1.901 19.931 -7.707 1.00 25.42 C ATOM 535 C ASN A 35 1.780 21.456 -7.641 1.00 53.04 C ATOM 536 O ASN A 35 1.750 22.033 -6.556 1.00 31.41 O ATOM 537 CB ASN A 35 3.047 19.589 -8.661 1.00 74.44 C ATOM 538 CG ASN A 35 4.403 19.878 -8.015 1.00 63.00 C ATOM 539 OD1 ASN A 35 5.227 20.608 -8.542 1.00 4.12 O ATOM 540 ND2 ASN A 35 4.588 19.268 -6.848 1.00 70.03 N ATOM 0 H ASN A 35 0.314 18.565 -7.643 1.00 35.22 H new ATOM 0 HA ASN A 35 2.113 19.510 -6.724 1.00 25.42 H new ATOM 0 HB2 ASN A 35 2.990 18.537 -8.941 1.00 74.44 H new ATOM 0 HB3 ASN A 35 2.946 20.169 -9.579 1.00 74.44 H new ATOM 0 HD21 ASN A 35 5.461 19.398 -6.337 1.00 70.03 H new ATOM 0 HD22 ASN A 35 3.857 18.670 -6.463 1.00 70.03 H new TER 547 ASN A 35