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+ -136:sc= 0.0525 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.238 K(o=0.24,f=-1.6!) USER MOD Single : A 22 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 1.1 (180deg=-0.278) USER MOD Single : A 32 SER OG : rot -43:sc= -0.0233 USER MOD Single : A 35 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.731 3.796 -3.888 1.00 53.03 N ATOM 2 CA GLY A 1 -23.217 2.438 -3.939 1.00 3.32 C ATOM 3 C GLY A 1 -23.581 1.665 -2.670 1.00 14.02 C ATOM 4 O GLY A 1 -24.599 1.945 -2.040 1.00 32.53 O ATOM 0 H1 GLY A 1 -24.157 4.041 -4.805 1.00 53.03 H new ATOM 0 H2 GLY A 1 -24.452 3.867 -3.142 1.00 53.03 H new ATOM 0 H3 GLY A 1 -22.953 4.454 -3.681 1.00 53.03 H new ATOM 0 HA2 GLY A 1 -23.623 1.924 -4.811 1.00 3.32 H new ATOM 0 HA3 GLY A 1 -22.134 2.460 -4.057 1.00 3.32 H new ATOM 8 N ILE A 2 -22.728 0.708 -2.333 1.00 22.32 N ATOM 9 CA ILE A 2 -22.948 -0.107 -1.151 1.00 71.21 C ATOM 10 C ILE A 2 -22.508 0.673 0.090 1.00 14.35 C ATOM 11 O ILE A 2 -23.337 1.253 0.789 1.00 12.43 O ATOM 12 CB ILE A 2 -22.259 -1.464 -1.301 1.00 61.23 C ATOM 13 CG1 ILE A 2 -22.831 -2.242 -2.487 1.00 12.22 C ATOM 14 CG2 ILE A 2 -22.337 -2.265 0.001 1.00 52.44 C ATOM 15 CD1 ILE A 2 -21.746 -3.077 -3.170 1.00 31.22 C ATOM 0 H ILE A 2 -21.884 0.479 -2.858 1.00 22.32 H new ATOM 0 HA ILE A 2 -24.009 -0.326 -1.031 1.00 71.21 H new ATOM 0 HB ILE A 2 -21.204 -1.290 -1.510 1.00 61.23 H new ATOM 0 HG12 ILE A 2 -23.635 -2.894 -2.145 1.00 12.22 H new ATOM 0 HG13 ILE A 2 -23.267 -1.548 -3.206 1.00 12.22 H new ATOM 0 HG21 ILE A 2 -21.840 -3.226 -0.133 1.00 52.44 H new ATOM 0 HG22 ILE A 2 -21.845 -1.710 0.800 1.00 52.44 H new ATOM 0 HG23 ILE A 2 -23.382 -2.431 0.264 1.00 52.44 H new ATOM 0 HD11 ILE A 2 -22.180 -3.620 -4.010 1.00 31.22 H new ATOM 0 HD12 ILE A 2 -20.955 -2.420 -3.532 1.00 31.22 H new ATOM 0 HD13 ILE A 2 -21.329 -3.787 -2.455 1.00 31.22 H new ATOM 27 N GLY A 3 -21.204 0.661 0.325 1.00 73.20 N ATOM 28 CA GLY A 3 -20.644 1.359 1.469 1.00 62.22 C ATOM 29 C GLY A 3 -19.404 2.161 1.069 1.00 0.31 C ATOM 30 O GLY A 3 -18.744 1.839 0.082 1.00 61.43 O ATOM 0 H GLY A 3 -20.520 0.179 -0.258 1.00 73.20 H new ATOM 0 HA2 GLY A 3 -21.393 2.028 1.894 1.00 62.22 H new ATOM 0 HA3 GLY A 3 -20.382 0.640 2.245 1.00 62.22 H new ATOM 34 N ALA A 4 -19.124 3.190 1.856 1.00 21.45 N ATOM 35 CA ALA A 4 -17.976 4.040 1.595 1.00 44.51 C ATOM 36 C ALA A 4 -16.696 3.208 1.702 1.00 2.02 C ATOM 37 O ALA A 4 -15.720 3.470 0.999 1.00 33.45 O ATOM 38 CB ALA A 4 -17.984 5.222 2.566 1.00 41.12 C ATOM 0 H ALA A 4 -19.673 3.454 2.674 1.00 21.45 H new ATOM 0 HA ALA A 4 -18.022 4.447 0.585 1.00 44.51 H new ATOM 0 HB1 ALA A 4 -17.122 5.860 2.370 1.00 41.12 H new ATOM 0 HB2 ALA A 4 -18.900 5.798 2.431 1.00 41.12 H new ATOM 0 HB3 ALA A 4 -17.936 4.852 3.590 1.00 41.12 H new ATOM 44 N PHE A 5 -16.741 2.222 2.586 1.00 14.12 N ATOM 45 CA PHE A 5 -15.597 1.349 2.793 1.00 1.15 C ATOM 46 C PHE A 5 -15.654 0.141 1.856 1.00 51.52 C ATOM 47 O PHE A 5 -14.759 -0.704 1.874 1.00 12.44 O ATOM 48 CB PHE A 5 -15.664 0.861 4.241 1.00 64.12 C ATOM 49 CG PHE A 5 -16.268 1.878 5.213 1.00 75.42 C ATOM 50 CD1 PHE A 5 -17.353 1.541 5.960 1.00 63.43 C ATOM 51 CD2 PHE A 5 -15.720 3.116 5.329 1.00 24.04 C ATOM 52 CE1 PHE A 5 -17.914 2.483 6.862 1.00 44.12 C ATOM 53 CE2 PHE A 5 -16.282 4.059 6.230 1.00 45.44 C ATOM 54 CZ PHE A 5 -17.367 3.722 6.979 1.00 3.44 C ATOM 0 H PHE A 5 -17.551 2.008 3.167 1.00 14.12 H new ATOM 0 HA PHE A 5 -14.673 1.890 2.589 1.00 1.15 H new ATOM 0 HB2 PHE A 5 -16.253 -0.056 4.278 1.00 64.12 H new ATOM 0 HB3 PHE A 5 -14.658 0.607 4.575 1.00 64.12 H new ATOM 0 HD1 PHE A 5 -17.788 0.557 5.867 1.00 63.43 H new ATOM 0 HD2 PHE A 5 -14.857 3.383 4.736 1.00 24.04 H new ATOM 0 HE1 PHE A 5 -18.776 2.215 7.455 1.00 44.12 H new ATOM 0 HE2 PHE A 5 -15.848 5.044 6.321 1.00 45.44 H new ATOM 0 HZ PHE A 5 -17.793 4.438 7.666 1.00 3.44 H new ATOM 64 N GLY A 6 -16.713 0.096 1.062 1.00 12.45 N ATOM 65 CA GLY A 6 -16.897 -0.995 0.121 1.00 52.42 C ATOM 66 C GLY A 6 -16.278 -0.658 -1.237 1.00 10.43 C ATOM 67 O GLY A 6 -15.058 -0.672 -1.388 1.00 54.43 O ATOM 0 H GLY A 6 -17.453 0.798 1.051 1.00 12.45 H new ATOM 0 HA2 GLY A 6 -16.441 -1.902 0.517 1.00 52.42 H new ATOM 0 HA3 GLY A 6 -17.961 -1.199 -0.001 1.00 52.42 H new ATOM 71 N LEU A 7 -17.149 -0.362 -2.192 1.00 73.15 N ATOM 72 CA LEU A 7 -16.703 -0.023 -3.532 1.00 2.24 C ATOM 73 C LEU A 7 -16.113 1.389 -3.526 1.00 54.51 C ATOM 74 O LEU A 7 -15.041 1.620 -4.085 1.00 70.11 O ATOM 75 CB LEU A 7 -17.840 -0.208 -4.539 1.00 22.10 C ATOM 76 CG LEU A 7 -17.438 -0.739 -5.916 1.00 54.24 C ATOM 77 CD1 LEU A 7 -16.842 -2.144 -5.808 1.00 41.33 C ATOM 78 CD2 LEU A 7 -18.617 -0.690 -6.888 1.00 34.12 C ATOM 0 H LEU A 7 -18.161 -0.350 -2.063 1.00 73.15 H new ATOM 0 HA LEU A 7 -15.911 -0.700 -3.852 1.00 2.24 H new ATOM 0 HB2 LEU A 7 -18.572 -0.891 -4.108 1.00 22.10 H new ATOM 0 HB3 LEU A 7 -18.339 0.752 -4.673 1.00 22.10 H new ATOM 0 HG LEU A 7 -16.661 -0.089 -6.320 1.00 54.24 H new ATOM 0 HD11 LEU A 7 -16.564 -2.499 -6.801 1.00 41.33 H new ATOM 0 HD12 LEU A 7 -15.957 -2.116 -5.172 1.00 41.33 H new ATOM 0 HD13 LEU A 7 -17.579 -2.820 -5.374 1.00 41.33 H new ATOM 0 HD21 LEU A 7 -18.304 -1.073 -7.859 1.00 34.12 H new ATOM 0 HD22 LEU A 7 -19.432 -1.302 -6.502 1.00 34.12 H new ATOM 0 HD23 LEU A 7 -18.957 0.340 -6.997 1.00 34.12 H new ATOM 90 N LEU A 8 -16.837 2.296 -2.887 1.00 13.25 N ATOM 91 CA LEU A 8 -16.398 3.679 -2.801 1.00 12.11 C ATOM 92 C LEU A 8 -15.051 3.738 -2.078 1.00 55.32 C ATOM 93 O LEU A 8 -14.350 4.747 -2.143 1.00 32.51 O ATOM 94 CB LEU A 8 -17.481 4.546 -2.156 1.00 14.33 C ATOM 95 CG LEU A 8 -17.998 5.712 -3.001 1.00 61.42 C ATOM 96 CD1 LEU A 8 -18.835 6.673 -2.154 1.00 51.21 C ATOM 97 CD2 LEU A 8 -16.847 6.427 -3.711 1.00 43.11 C ATOM 0 H LEU A 8 -17.725 2.101 -2.424 1.00 13.25 H new ATOM 0 HA LEU A 8 -16.243 4.092 -3.798 1.00 12.11 H new ATOM 0 HB2 LEU A 8 -18.326 3.906 -1.900 1.00 14.33 H new ATOM 0 HB3 LEU A 8 -17.089 4.946 -1.221 1.00 14.33 H new ATOM 0 HG LEU A 8 -18.653 5.310 -3.774 1.00 61.42 H new ATOM 0 HD11 LEU A 8 -19.190 7.493 -2.778 1.00 51.21 H new ATOM 0 HD12 LEU A 8 -19.688 6.140 -1.735 1.00 51.21 H new ATOM 0 HD13 LEU A 8 -18.223 7.072 -1.345 1.00 51.21 H new ATOM 0 HD21 LEU A 8 -17.242 7.251 -4.305 1.00 43.11 H new ATOM 0 HD22 LEU A 8 -16.148 6.815 -2.970 1.00 43.11 H new ATOM 0 HD23 LEU A 8 -16.330 5.724 -4.365 1.00 43.11 H new ATOM 109 N GLY A 9 -14.728 2.643 -1.405 1.00 35.13 N ATOM 110 CA GLY A 9 -13.478 2.557 -0.670 1.00 32.34 C ATOM 111 C GLY A 9 -12.697 1.302 -1.063 1.00 42.51 C ATOM 112 O GLY A 9 -11.844 0.836 -0.308 1.00 34.03 O ATOM 0 H GLY A 9 -15.311 1.808 -1.354 1.00 35.13 H new ATOM 0 HA2 GLY A 9 -12.874 3.443 -0.868 1.00 32.34 H new ATOM 0 HA3 GLY A 9 -13.682 2.543 0.401 1.00 32.34 H new ATOM 116 N PHE A 10 -13.014 0.791 -2.244 1.00 51.22 N ATOM 117 CA PHE A 10 -12.351 -0.401 -2.747 1.00 64.45 C ATOM 118 C PHE A 10 -10.841 -0.184 -2.854 1.00 72.01 C ATOM 119 O PHE A 10 -10.061 -1.113 -2.652 1.00 44.34 O ATOM 120 CB PHE A 10 -12.917 -0.672 -4.141 1.00 32.11 C ATOM 121 CG PHE A 10 -12.923 -2.151 -4.533 1.00 1.11 C ATOM 122 CD1 PHE A 10 -12.033 -2.615 -5.450 1.00 52.54 C ATOM 123 CD2 PHE A 10 -13.820 -3.001 -3.966 1.00 61.25 C ATOM 124 CE1 PHE A 10 -12.038 -3.988 -5.814 1.00 42.44 C ATOM 125 CE2 PHE A 10 -13.826 -4.374 -4.330 1.00 65.34 C ATOM 126 CZ PHE A 10 -12.935 -4.838 -5.246 1.00 1.01 C ATOM 0 H PHE A 10 -13.721 1.181 -2.867 1.00 51.22 H new ATOM 0 HA PHE A 10 -12.523 -1.237 -2.069 1.00 64.45 H new ATOM 0 HB2 PHE A 10 -13.937 -0.290 -4.189 1.00 32.11 H new ATOM 0 HB3 PHE A 10 -12.333 -0.115 -4.874 1.00 32.11 H new ATOM 0 HD1 PHE A 10 -11.322 -1.939 -5.902 1.00 52.54 H new ATOM 0 HD2 PHE A 10 -14.528 -2.632 -3.239 1.00 61.25 H new ATOM 0 HE1 PHE A 10 -11.330 -4.357 -6.541 1.00 42.44 H new ATOM 0 HE2 PHE A 10 -14.538 -5.049 -3.879 1.00 65.34 H new ATOM 0 HZ PHE A 10 -12.939 -5.882 -5.523 1.00 1.01 H new ATOM 136 N LEU A 11 -10.473 1.049 -3.174 1.00 34.01 N ATOM 137 CA LEU A 11 -9.070 1.399 -3.312 1.00 35.43 C ATOM 138 C LEU A 11 -8.439 1.516 -1.923 1.00 34.22 C ATOM 139 O LEU A 11 -7.364 0.972 -1.679 1.00 53.14 O ATOM 140 CB LEU A 11 -8.914 2.659 -4.166 1.00 34.01 C ATOM 141 CG LEU A 11 -9.093 2.473 -5.674 1.00 4.52 C ATOM 142 CD1 LEU A 11 -7.751 2.199 -6.356 1.00 50.12 C ATOM 143 CD2 LEU A 11 -10.122 1.382 -5.975 1.00 60.53 C ATOM 0 H LEU A 11 -11.123 1.817 -3.341 1.00 34.01 H new ATOM 0 HA LEU A 11 -8.532 0.613 -3.842 1.00 35.43 H new ATOM 0 HB2 LEU A 11 -9.637 3.399 -3.823 1.00 34.01 H new ATOM 0 HB3 LEU A 11 -7.923 3.075 -3.986 1.00 34.01 H new ATOM 0 HG LEU A 11 -9.481 3.404 -6.088 1.00 4.52 H new ATOM 0 HD11 LEU A 11 -7.907 2.071 -7.427 1.00 50.12 H new ATOM 0 HD12 LEU A 11 -7.078 3.039 -6.185 1.00 50.12 H new ATOM 0 HD13 LEU A 11 -7.311 1.292 -5.942 1.00 50.12 H new ATOM 0 HD21 LEU A 11 -10.229 1.271 -7.054 1.00 60.53 H new ATOM 0 HD22 LEU A 11 -9.788 0.438 -5.544 1.00 60.53 H new ATOM 0 HD23 LEU A 11 -11.083 1.659 -5.541 1.00 60.53 H new ATOM 155 N ALA A 12 -9.135 2.228 -1.050 1.00 10.24 N ATOM 156 CA ALA A 12 -8.656 2.423 0.308 1.00 72.32 C ATOM 157 C ALA A 12 -8.490 1.061 0.986 1.00 21.04 C ATOM 158 O ALA A 12 -7.653 0.904 1.873 1.00 14.00 O ATOM 159 CB ALA A 12 -9.623 3.337 1.064 1.00 53.32 C ATOM 0 H ALA A 12 -10.027 2.677 -1.256 1.00 10.24 H new ATOM 0 HA ALA A 12 -7.681 2.911 0.305 1.00 72.32 H new ATOM 0 HB1 ALA A 12 -9.264 3.483 2.083 1.00 53.32 H new ATOM 0 HB2 ALA A 12 -9.683 4.301 0.558 1.00 53.32 H new ATOM 0 HB3 ALA A 12 -10.612 2.879 1.090 1.00 53.32 H new ATOM 165 N ALA A 13 -9.302 0.113 0.543 1.00 31.21 N ATOM 166 CA ALA A 13 -9.256 -1.231 1.096 1.00 23.34 C ATOM 167 C ALA A 13 -7.856 -1.814 0.891 1.00 24.32 C ATOM 168 O ALA A 13 -7.300 -2.433 1.797 1.00 31.24 O ATOM 169 CB ALA A 13 -10.345 -2.088 0.448 1.00 10.25 C ATOM 0 H ALA A 13 -9.996 0.248 -0.192 1.00 31.21 H new ATOM 0 HA ALA A 13 -9.452 -1.212 2.168 1.00 23.34 H new ATOM 0 HB1 ALA A 13 -10.310 -3.095 0.863 1.00 10.25 H new ATOM 0 HB2 ALA A 13 -11.322 -1.647 0.647 1.00 10.25 H new ATOM 0 HB3 ALA A 13 -10.180 -2.133 -0.629 1.00 10.25 H new ATOM 175 N GLY A 14 -7.328 -1.594 -0.304 1.00 52.33 N ATOM 176 CA GLY A 14 -6.004 -2.091 -0.638 1.00 0.30 C ATOM 177 C GLY A 14 -4.919 -1.286 0.080 1.00 61.45 C ATOM 178 O GLY A 14 -3.929 -1.849 0.545 1.00 10.22 O ATOM 0 H GLY A 14 -7.792 -1.079 -1.052 1.00 52.33 H new ATOM 0 HA2 GLY A 14 -5.926 -3.142 -0.360 1.00 0.30 H new ATOM 0 HA3 GLY A 14 -5.851 -2.034 -1.716 1.00 0.30 H new ATOM 182 N SER A 15 -5.143 0.018 0.150 1.00 72.12 N ATOM 183 CA SER A 15 -4.197 0.906 0.804 1.00 62.04 C ATOM 184 C SER A 15 -4.398 0.859 2.321 1.00 13.45 C ATOM 185 O SER A 15 -3.685 1.531 3.065 1.00 73.40 O ATOM 186 CB SER A 15 -4.343 2.341 0.293 1.00 33.42 C ATOM 187 OG SER A 15 -5.228 3.108 1.105 1.00 30.43 O ATOM 0 H SER A 15 -5.966 0.481 -0.236 1.00 72.12 H new ATOM 0 HA SER A 15 -3.189 0.566 0.566 1.00 62.04 H new ATOM 0 HB2 SER A 15 -3.364 2.820 0.271 1.00 33.42 H new ATOM 0 HB3 SER A 15 -4.713 2.325 -0.732 1.00 33.42 H new ATOM 0 HG SER A 15 -5.294 4.018 0.748 1.00 30.43 H new ATOM 193 N LYS A 16 -5.371 0.060 2.731 1.00 65.43 N ATOM 194 CA LYS A 16 -5.674 -0.083 4.146 1.00 31.35 C ATOM 195 C LYS A 16 -4.446 -0.631 4.874 1.00 13.01 C ATOM 196 O LYS A 16 -4.293 -0.432 6.077 1.00 70.31 O ATOM 197 CB LYS A 16 -6.934 -0.930 4.340 1.00 62.14 C ATOM 198 CG LYS A 16 -6.599 -2.423 4.320 1.00 23.10 C ATOM 199 CD LYS A 16 -6.157 -2.904 5.704 1.00 12.12 C ATOM 200 CE LYS A 16 -7.199 -3.843 6.316 1.00 12.31 C ATOM 201 NZ LYS A 16 -7.221 -3.703 7.789 1.00 30.43 N ATOM 0 H LYS A 16 -5.960 -0.495 2.110 1.00 65.43 H new ATOM 0 HA LYS A 16 -5.899 0.888 4.588 1.00 31.35 H new ATOM 0 HB2 LYS A 16 -7.407 -0.672 5.287 1.00 62.14 H new ATOM 0 HB3 LYS A 16 -7.653 -0.704 3.553 1.00 62.14 H new ATOM 0 HG2 LYS A 16 -7.471 -2.991 3.995 1.00 23.10 H new ATOM 0 HG3 LYS A 16 -5.807 -2.612 3.595 1.00 23.10 H new ATOM 0 HD2 LYS A 16 -5.200 -3.419 5.625 1.00 12.12 H new ATOM 0 HD3 LYS A 16 -6.005 -2.047 6.360 1.00 12.12 H new ATOM 0 HE2 LYS A 16 -8.184 -3.617 5.909 1.00 12.31 H new ATOM 0 HE3 LYS A 16 -6.971 -4.874 6.046 1.00 12.31 H new ATOM 0 HZ1 LYS A 16 -7.933 -4.347 8.188 1.00 30.43 H new ATOM 0 HZ2 LYS A 16 -6.285 -3.941 8.174 1.00 30.43 H new ATOM 0 HZ3 LYS A 16 -7.460 -2.723 8.041 1.00 30.43 H new ATOM 214 N LYS A 17 -3.601 -1.312 4.112 1.00 25.51 N ATOM 215 CA LYS A 17 -2.391 -1.890 4.670 1.00 70.42 C ATOM 216 C LYS A 17 -1.171 -1.252 4.003 1.00 35.32 C ATOM 217 O LYS A 17 -0.488 -0.428 4.609 1.00 11.43 O ATOM 218 CB LYS A 17 -2.426 -3.416 4.557 1.00 43.34 C ATOM 219 CG LYS A 17 -1.063 -4.022 4.900 1.00 44.15 C ATOM 220 CD LYS A 17 -1.117 -5.551 4.861 1.00 44.23 C ATOM 221 CE LYS A 17 -0.118 -6.160 5.846 1.00 53.15 C ATOM 222 NZ LYS A 17 -0.780 -6.467 7.133 1.00 61.43 N ATOM 0 H LYS A 17 -3.731 -1.476 3.114 1.00 25.51 H new ATOM 0 HA LYS A 17 -2.321 -1.673 5.736 1.00 70.42 H new ATOM 0 HB2 LYS A 17 -3.186 -3.817 5.228 1.00 43.34 H new ATOM 0 HB3 LYS A 17 -2.711 -3.703 3.545 1.00 43.34 H new ATOM 0 HG2 LYS A 17 -0.314 -3.663 4.195 1.00 44.15 H new ATOM 0 HG3 LYS A 17 -0.753 -3.691 5.891 1.00 44.15 H new ATOM 0 HD2 LYS A 17 -2.124 -5.889 5.104 1.00 44.23 H new ATOM 0 HD3 LYS A 17 -0.898 -5.901 3.852 1.00 44.23 H new ATOM 0 HE2 LYS A 17 0.309 -7.070 5.424 1.00 53.15 H new ATOM 0 HE3 LYS A 17 0.707 -5.467 6.011 1.00 53.15 H new ATOM 0 HZ1 LYS A 17 -0.087 -6.880 7.790 1.00 61.43 H new ATOM 0 HZ2 LYS A 17 -1.167 -5.592 7.542 1.00 61.43 H new ATOM 0 HZ3 LYS A 17 -1.552 -7.145 6.973 1.00 61.43 H new HETATM 235 C1 ACA A 18 0.647 -3.523 -3.055 1.00 42.03 C HETATM 236 O1 ACA A 18 1.845 -3.595 -3.325 1.00 64.12 O HETATM 237 C2 ACA A 18 0.568 -2.206 -2.385 1.00 23.33 C HETATM 238 C3 ACA A 18 1.649 -2.085 -1.310 1.00 44.42 C HETATM 239 C4 ACA A 18 1.272 -1.030 -0.268 1.00 30.12 C HETATM 240 C5 ACA A 18 0.032 -1.456 0.520 1.00 33.20 C HETATM 241 C6 ACA A 18 0.191 -1.134 2.007 1.00 75.44 C HETATM 242 N6 ACA A 18 -0.934 -1.657 2.763 1.00 75.43 N HETATM 0 HN61 ACA A 18 -1.682 -2.158 2.283 1.00 75.43 H new HETATM 0 H62 ACA A 18 1.120 -1.564 2.381 1.00 75.44 H new HETATM 0 H61 ACA A 18 0.261 -0.055 2.146 1.00 75.44 H new HETATM 0 H52 ACA A 18 -0.847 -0.946 0.126 1.00 33.20 H new HETATM 0 H51 ACA A 18 -0.135 -2.525 0.392 1.00 33.20 H new HETATM 0 H42 ACA A 18 2.106 -0.875 0.416 1.00 30.12 H new HETATM 0 H41 ACA A 18 1.084 -0.077 -0.762 1.00 30.12 H new HETATM 0 H32 ACA A 18 1.790 -3.049 -0.822 1.00 44.42 H new HETATM 0 H31 ACA A 18 2.599 -1.820 -1.773 1.00 44.42 H new HETATM 0 H22 ACA A 18 0.687 -1.410 -3.120 1.00 23.33 H new HETATM 0 H21 ACA A 18 -0.417 -2.079 -1.935 1.00 23.33 H new ATOM 254 N LYS A 19 -0.031 -4.454 -2.400 1.00 23.50 N ATOM 255 CA LYS A 19 0.619 -5.670 -1.940 1.00 24.31 C ATOM 256 C LYS A 19 1.170 -6.435 -3.145 1.00 74.42 C ATOM 257 O LYS A 19 2.373 -6.671 -3.237 1.00 54.40 O ATOM 258 CB LYS A 19 -0.336 -6.493 -1.073 1.00 22.23 C ATOM 259 CG LYS A 19 0.298 -7.825 -0.672 1.00 62.14 C ATOM 260 CD LYS A 19 -0.138 -8.238 0.736 1.00 42.54 C ATOM 261 CE LYS A 19 -1.642 -8.512 0.788 1.00 2.43 C ATOM 262 NZ LYS A 19 -2.031 -9.023 2.121 1.00 2.43 N ATOM 0 HA LYS A 19 1.467 -5.430 -1.299 1.00 24.31 H new ATOM 0 HB2 LYS A 19 -0.600 -5.928 -0.179 1.00 22.23 H new ATOM 0 HB3 LYS A 19 -1.262 -6.676 -1.619 1.00 22.23 H new ATOM 0 HG2 LYS A 19 0.013 -8.597 -1.386 1.00 62.14 H new ATOM 0 HG3 LYS A 19 1.384 -7.741 -0.710 1.00 62.14 H new ATOM 0 HD2 LYS A 19 0.408 -9.130 1.042 1.00 42.54 H new ATOM 0 HD3 LYS A 19 0.116 -7.450 1.445 1.00 42.54 H new ATOM 0 HE2 LYS A 19 -2.192 -7.597 0.568 1.00 2.43 H new ATOM 0 HE3 LYS A 19 -1.912 -9.238 0.021 1.00 2.43 H new ATOM 0 HZ1 LYS A 19 -3.055 -9.204 2.138 1.00 2.43 H new ATOM 0 HZ2 LYS A 19 -1.520 -9.908 2.316 1.00 2.43 H new ATOM 0 HZ3 LYS A 19 -1.792 -8.318 2.847 1.00 2.43 H new ATOM 275 N ASN A 20 0.262 -6.803 -4.037 1.00 74.24 N ATOM 276 CA ASN A 20 0.643 -7.537 -5.232 1.00 61.54 C ATOM 277 C ASN A 20 0.656 -6.584 -6.428 1.00 54.22 C ATOM 278 O ASN A 20 0.307 -5.413 -6.297 1.00 3.45 O ATOM 279 CB ASN A 20 -0.356 -8.657 -5.531 1.00 32.23 C ATOM 280 CG ASN A 20 -1.216 -8.967 -4.305 1.00 33.31 C ATOM 281 OD1 ASN A 20 -2.081 -8.203 -3.912 1.00 22.43 O ATOM 282 ND2 ASN A 20 -0.932 -10.129 -3.723 1.00 54.42 N ATOM 0 H ASN A 20 -0.736 -6.607 -3.956 1.00 74.24 H new ATOM 0 HA ASN A 20 1.630 -7.968 -5.063 1.00 61.54 H new ATOM 0 HB2 ASN A 20 -0.996 -8.366 -6.364 1.00 32.23 H new ATOM 0 HB3 ASN A 20 0.180 -9.554 -5.840 1.00 32.23 H new ATOM 0 HD21 ASN A 20 -1.452 -10.426 -2.897 1.00 54.42 H new ATOM 0 HD22 ASN A 20 -0.195 -10.723 -4.103 1.00 54.42 H new ATOM 289 N GLU A 21 1.064 -7.122 -7.569 1.00 50.22 N ATOM 290 CA GLU A 21 1.129 -6.334 -8.788 1.00 73.41 C ATOM 291 C GLU A 21 -0.277 -5.920 -9.227 1.00 74.43 C ATOM 292 O GLU A 21 -0.464 -4.845 -9.794 1.00 41.22 O ATOM 293 CB GLU A 21 1.847 -7.101 -9.899 1.00 75.22 C ATOM 294 CG GLU A 21 1.054 -8.344 -10.309 1.00 41.01 C ATOM 295 CD GLU A 21 1.931 -9.319 -11.098 1.00 44.20 C ATOM 296 OE1 GLU A 21 1.909 -10.529 -10.829 1.00 12.34 O ATOM 297 OE2 GLU A 21 2.653 -8.777 -12.020 1.00 75.23 O ATOM 0 H GLU A 21 1.353 -8.095 -7.674 1.00 50.22 H new ATOM 0 HA GLU A 21 1.706 -5.432 -8.584 1.00 73.41 H new ATOM 0 HB2 GLU A 21 1.985 -6.452 -10.764 1.00 75.22 H new ATOM 0 HB3 GLU A 21 2.840 -7.395 -9.560 1.00 75.22 H new ATOM 0 HG2 GLU A 21 0.662 -8.839 -9.420 1.00 41.01 H new ATOM 0 HG3 GLU A 21 0.196 -8.049 -10.914 1.00 41.01 H new ATOM 305 N GLN A 22 -1.231 -6.797 -8.948 1.00 22.01 N ATOM 306 CA GLN A 22 -2.615 -6.536 -9.308 1.00 43.41 C ATOM 307 C GLN A 22 -2.974 -5.078 -9.016 1.00 12.12 C ATOM 308 O GLN A 22 -3.533 -4.390 -9.869 1.00 23.41 O ATOM 309 CB GLN A 22 -3.561 -7.491 -8.575 1.00 4.33 C ATOM 310 CG GLN A 22 -4.541 -8.146 -9.550 1.00 14.41 C ATOM 311 CD GLN A 22 -5.384 -9.211 -8.845 1.00 35.14 C ATOM 312 OE1 GLN A 22 -6.089 -8.946 -7.885 1.00 51.34 O ATOM 313 NE2 GLN A 22 -5.275 -10.426 -9.376 1.00 41.24 N ATOM 0 H GLN A 22 -1.073 -7.688 -8.477 1.00 22.01 H new ATOM 0 HA GLN A 22 -2.731 -6.711 -10.378 1.00 43.41 H new ATOM 0 HB2 GLN A 22 -2.983 -8.260 -8.063 1.00 4.33 H new ATOM 0 HB3 GLN A 22 -4.113 -6.946 -7.810 1.00 4.33 H new ATOM 0 HG2 GLN A 22 -5.194 -7.387 -9.981 1.00 14.41 H new ATOM 0 HG3 GLN A 22 -3.991 -8.599 -10.375 1.00 14.41 H new ATOM 0 HE21 GLN A 22 -4.666 -10.578 -10.180 1.00 41.24 H new ATOM 0 HE22 GLN A 22 -5.800 -11.205 -8.979 1.00 41.24 H new ATOM 322 N GLU A 23 -2.637 -4.649 -7.809 1.00 63.14 N ATOM 323 CA GLU A 23 -2.916 -3.284 -7.394 1.00 53.03 C ATOM 324 C GLU A 23 -2.383 -2.295 -8.432 1.00 25.00 C ATOM 325 O GLU A 23 -3.118 -1.429 -8.903 1.00 63.11 O ATOM 326 CB GLU A 23 -2.326 -3.000 -6.011 1.00 1.13 C ATOM 327 CG GLU A 23 -2.813 -1.652 -5.474 1.00 12.03 C ATOM 328 CD GLU A 23 -3.081 -1.726 -3.970 1.00 35.42 C ATOM 329 OE1 GLU A 23 -3.723 -2.679 -3.500 1.00 1.24 O ATOM 330 OE2 GLU A 23 -2.598 -0.750 -3.281 1.00 45.00 O ATOM 0 H GLU A 23 -2.173 -5.222 -7.104 1.00 63.14 H new ATOM 0 HA GLU A 23 -3.997 -3.159 -7.324 1.00 53.03 H new ATOM 0 HB2 GLU A 23 -2.609 -3.794 -5.321 1.00 1.13 H new ATOM 0 HB3 GLU A 23 -1.238 -3.001 -6.069 1.00 1.13 H new ATOM 0 HG2 GLU A 23 -2.066 -0.884 -5.677 1.00 12.03 H new ATOM 0 HG3 GLU A 23 -3.723 -1.356 -5.995 1.00 12.03 H new ATOM 338 N LEU A 24 -1.109 -2.456 -8.757 1.00 44.34 N ATOM 339 CA LEU A 24 -0.469 -1.587 -9.729 1.00 51.33 C ATOM 340 C LEU A 24 -1.318 -1.541 -11.001 1.00 4.51 C ATOM 341 O LEU A 24 -1.658 -0.463 -11.485 1.00 13.35 O ATOM 342 CB LEU A 24 0.977 -2.027 -9.971 1.00 43.04 C ATOM 343 CG LEU A 24 2.056 -1.205 -9.261 1.00 31.22 C ATOM 344 CD1 LEU A 24 2.164 0.196 -9.867 1.00 42.01 C ATOM 345 CD2 LEU A 24 1.806 -1.159 -7.753 1.00 75.44 C ATOM 0 H LEU A 24 -0.503 -3.176 -8.364 1.00 44.34 H new ATOM 0 HA LEU A 24 -0.408 -0.568 -9.348 1.00 51.33 H new ATOM 0 HB2 LEU A 24 1.077 -3.067 -9.659 1.00 43.04 H new ATOM 0 HB3 LEU A 24 1.171 -1.996 -11.043 1.00 43.04 H new ATOM 0 HG LEU A 24 3.017 -1.697 -9.413 1.00 31.22 H new ATOM 0 HD11 LEU A 24 2.937 0.760 -9.345 1.00 42.01 H new ATOM 0 HD12 LEU A 24 2.423 0.117 -10.923 1.00 42.01 H new ATOM 0 HD13 LEU A 24 1.209 0.711 -9.765 1.00 42.01 H new ATOM 0 HD21 LEU A 24 2.587 -0.569 -7.273 1.00 75.44 H new ATOM 0 HD22 LEU A 24 0.835 -0.703 -7.559 1.00 75.44 H new ATOM 0 HD23 LEU A 24 1.818 -2.172 -7.351 1.00 75.44 H new ATOM 357 N LEU A 25 -1.635 -2.724 -11.506 1.00 41.24 N ATOM 358 CA LEU A 25 -2.438 -2.832 -12.713 1.00 45.21 C ATOM 359 C LEU A 25 -3.826 -2.243 -12.451 1.00 10.20 C ATOM 360 O LEU A 25 -4.513 -1.828 -13.382 1.00 75.30 O ATOM 361 CB LEU A 25 -2.467 -4.279 -13.209 1.00 21.45 C ATOM 362 CG LEU A 25 -1.121 -4.870 -13.634 1.00 24.05 C ATOM 363 CD1 LEU A 25 -0.132 -3.765 -14.010 1.00 73.32 C ATOM 364 CD2 LEU A 25 -0.563 -5.796 -12.552 1.00 4.25 C ATOM 0 H LEU A 25 -1.351 -3.616 -11.102 1.00 41.24 H new ATOM 0 HA LEU A 25 -1.992 -2.252 -13.521 1.00 45.21 H new ATOM 0 HB2 LEU A 25 -2.883 -4.905 -12.419 1.00 21.45 H new ATOM 0 HB3 LEU A 25 -3.151 -4.338 -14.056 1.00 21.45 H new ATOM 0 HG LEU A 25 -1.280 -5.477 -14.526 1.00 24.05 H new ATOM 0 HD11 LEU A 25 0.817 -4.212 -14.308 1.00 73.32 H new ATOM 0 HD12 LEU A 25 -0.535 -3.182 -14.838 1.00 73.32 H new ATOM 0 HD13 LEU A 25 0.028 -3.113 -13.152 1.00 73.32 H new ATOM 0 HD21 LEU A 25 0.394 -6.203 -12.879 1.00 4.25 H new ATOM 0 HD22 LEU A 25 -0.422 -5.234 -11.629 1.00 4.25 H new ATOM 0 HD23 LEU A 25 -1.263 -6.613 -12.376 1.00 4.25 H new ATOM 376 N GLU A 26 -4.195 -2.225 -11.179 1.00 22.54 N ATOM 377 CA GLU A 26 -5.489 -1.694 -10.782 1.00 11.44 C ATOM 378 C GLU A 26 -5.537 -0.183 -11.020 1.00 40.31 C ATOM 379 O GLU A 26 -6.536 0.340 -11.512 1.00 33.30 O ATOM 380 CB GLU A 26 -5.795 -2.030 -9.322 1.00 13.04 C ATOM 381 CG GLU A 26 -7.242 -2.500 -9.159 1.00 13.14 C ATOM 382 CD GLU A 26 -7.774 -2.166 -7.764 1.00 41.10 C ATOM 383 OE1 GLU A 26 -7.243 -1.265 -7.098 1.00 23.13 O ATOM 384 OE2 GLU A 26 -8.777 -2.879 -7.377 1.00 55.23 O ATOM 0 H GLU A 26 -3.621 -2.569 -10.409 1.00 22.54 H new ATOM 0 HA GLU A 26 -6.257 -2.164 -11.396 1.00 11.44 H new ATOM 0 HB2 GLU A 26 -5.115 -2.807 -8.974 1.00 13.04 H new ATOM 0 HB3 GLU A 26 -5.622 -1.152 -8.699 1.00 13.04 H new ATOM 0 HG2 GLU A 26 -7.869 -2.026 -9.914 1.00 13.14 H new ATOM 0 HG3 GLU A 26 -7.300 -3.576 -9.326 1.00 13.14 H new ATOM 392 N LEU A 27 -4.445 0.476 -10.659 1.00 32.44 N ATOM 393 CA LEU A 27 -4.351 1.915 -10.826 1.00 1.35 C ATOM 394 C LEU A 27 -4.051 2.236 -12.292 1.00 2.02 C ATOM 395 O LEU A 27 -4.415 3.302 -12.786 1.00 61.13 O ATOM 396 CB LEU A 27 -3.332 2.503 -9.848 1.00 4.11 C ATOM 397 CG LEU A 27 -3.706 2.429 -8.366 1.00 15.32 C ATOM 398 CD1 LEU A 27 -4.120 3.803 -7.835 1.00 54.51 C ATOM 399 CD2 LEU A 27 -4.785 1.371 -8.125 1.00 0.31 C ATOM 0 H LEU A 27 -3.618 0.039 -10.252 1.00 32.44 H new ATOM 0 HA LEU A 27 -5.302 2.389 -10.583 1.00 1.35 H new ATOM 0 HB2 LEU A 27 -2.383 1.987 -9.989 1.00 4.11 H new ATOM 0 HB3 LEU A 27 -3.168 3.548 -10.109 1.00 4.11 H new ATOM 0 HG LEU A 27 -2.823 2.121 -7.806 1.00 15.32 H new ATOM 0 HD11 LEU A 27 -4.381 3.722 -6.780 1.00 54.51 H new ATOM 0 HD12 LEU A 27 -3.292 4.503 -7.952 1.00 54.51 H new ATOM 0 HD13 LEU A 27 -4.982 4.165 -8.395 1.00 54.51 H new ATOM 0 HD21 LEU A 27 -5.032 1.339 -7.064 1.00 0.31 H new ATOM 0 HD22 LEU A 27 -5.677 1.624 -8.698 1.00 0.31 H new ATOM 0 HD23 LEU A 27 -4.415 0.396 -8.441 1.00 0.31 H new ATOM 411 N ASP A 28 -3.390 1.293 -12.947 1.00 13.10 N ATOM 412 CA ASP A 28 -3.037 1.461 -14.347 1.00 64.02 C ATOM 413 C ASP A 28 -4.315 1.575 -15.180 1.00 11.44 C ATOM 414 O ASP A 28 -4.286 2.084 -16.301 1.00 63.35 O ATOM 415 CB ASP A 28 -2.241 0.260 -14.862 1.00 0.21 C ATOM 416 CG ASP A 28 -1.120 0.602 -15.846 1.00 40.10 C ATOM 417 OD1 ASP A 28 -1.346 1.274 -16.863 1.00 0.41 O ATOM 418 OD2 ASP A 28 0.043 0.141 -15.529 1.00 33.50 O ATOM 0 H ASP A 28 -3.089 0.410 -12.534 1.00 13.10 H new ATOM 0 HA ASP A 28 -2.429 2.361 -14.436 1.00 64.02 H new ATOM 0 HB2 ASP A 28 -1.808 -0.263 -14.009 1.00 0.21 H new ATOM 0 HB3 ASP A 28 -2.930 -0.433 -15.345 1.00 0.21 H new ATOM 424 N LYS A 29 -5.405 1.092 -14.603 1.00 4.33 N ATOM 425 CA LYS A 29 -6.691 1.133 -15.279 1.00 52.12 C ATOM 426 C LYS A 29 -7.272 2.545 -15.174 1.00 55.31 C ATOM 427 O LYS A 29 -8.355 2.813 -15.692 1.00 45.31 O ATOM 428 CB LYS A 29 -7.617 0.044 -14.734 1.00 15.54 C ATOM 429 CG LYS A 29 -7.577 -1.203 -15.619 1.00 12.40 C ATOM 430 CD LYS A 29 -6.148 -1.502 -16.081 1.00 64.53 C ATOM 431 CE LYS A 29 -5.982 -2.984 -16.424 1.00 11.34 C ATOM 432 NZ LYS A 29 -5.501 -3.738 -15.245 1.00 3.21 N ATOM 0 H LYS A 29 -5.425 0.670 -13.675 1.00 4.33 H new ATOM 0 HA LYS A 29 -6.572 0.915 -16.340 1.00 52.12 H new ATOM 0 HB2 LYS A 29 -7.319 -0.217 -13.718 1.00 15.54 H new ATOM 0 HB3 LYS A 29 -8.637 0.423 -14.680 1.00 15.54 H new ATOM 0 HG2 LYS A 29 -7.971 -2.057 -15.068 1.00 12.40 H new ATOM 0 HG3 LYS A 29 -8.221 -1.058 -16.487 1.00 12.40 H new ATOM 0 HD2 LYS A 29 -5.909 -0.894 -16.954 1.00 64.53 H new ATOM 0 HD3 LYS A 29 -5.443 -1.225 -15.297 1.00 64.53 H new ATOM 0 HE2 LYS A 29 -6.934 -3.394 -16.762 1.00 11.34 H new ATOM 0 HE3 LYS A 29 -5.277 -3.096 -17.247 1.00 11.34 H new ATOM 0 HZ1 LYS A 29 -4.748 -4.394 -15.536 1.00 3.21 H new ATOM 0 HZ2 LYS A 29 -5.127 -3.074 -14.537 1.00 3.21 H new ATOM 0 HZ3 LYS A 29 -6.289 -4.277 -14.832 1.00 3.21 H new ATOM 445 N TRP A 30 -6.527 3.409 -14.502 1.00 54.14 N ATOM 446 CA TRP A 30 -6.955 4.786 -14.323 1.00 52.15 C ATOM 447 C TRP A 30 -7.551 5.271 -15.645 1.00 70.33 C ATOM 448 O TRP A 30 -8.642 5.838 -15.666 1.00 24.42 O ATOM 449 CB TRP A 30 -5.798 5.660 -13.832 1.00 23.40 C ATOM 450 CG TRP A 30 -5.667 5.721 -12.308 1.00 12.45 C ATOM 451 CD1 TRP A 30 -4.569 5.522 -11.567 1.00 15.10 C ATOM 452 CD2 TRP A 30 -6.721 6.010 -11.366 1.00 50.12 C ATOM 453 NE1 TRP A 30 -4.836 5.660 -10.220 1.00 20.13 N ATOM 454 CE2 TRP A 30 -6.186 5.967 -10.094 1.00 32.40 C ATOM 455 CE3 TRP A 30 -8.080 6.298 -11.580 1.00 53.43 C ATOM 456 CZ2 TRP A 30 -6.940 6.202 -8.938 1.00 72.24 C ATOM 457 CZ3 TRP A 30 -8.819 6.530 -10.414 1.00 32.11 C ATOM 458 CH2 TRP A 30 -8.296 6.491 -9.127 1.00 35.53 C ATOM 0 H TRP A 30 -5.629 3.183 -14.074 1.00 54.14 H new ATOM 0 HA TRP A 30 -7.720 4.855 -13.550 1.00 52.15 H new ATOM 0 HB2 TRP A 30 -4.866 5.281 -14.252 1.00 23.40 H new ATOM 0 HB3 TRP A 30 -5.932 6.671 -14.216 1.00 23.40 H new ATOM 0 HD1 TRP A 30 -3.597 5.284 -11.973 1.00 15.10 H new ATOM 0 HE1 TRP A 30 -4.166 5.556 -9.458 1.00 20.13 H new ATOM 0 HE3 TRP A 30 -8.519 6.337 -12.566 1.00 53.43 H new ATOM 0 HZ2 TRP A 30 -6.499 6.162 -7.953 1.00 72.24 H new ATOM 0 HZ3 TRP A 30 -9.870 6.755 -10.522 1.00 32.11 H new ATOM 0 HH2 TRP A 30 -8.933 6.683 -8.276 1.00 35.53 H new ATOM 469 N ALA A 31 -6.810 5.031 -16.716 1.00 62.14 N ATOM 470 CA ALA A 31 -7.252 5.437 -18.039 1.00 75.45 C ATOM 471 C ALA A 31 -8.413 4.542 -18.480 1.00 54.11 C ATOM 472 O ALA A 31 -9.366 5.014 -19.096 1.00 24.35 O ATOM 473 CB ALA A 31 -6.072 5.383 -19.011 1.00 72.21 C ATOM 0 H ALA A 31 -5.905 4.560 -16.695 1.00 62.14 H new ATOM 0 HA ALA A 31 -7.615 6.465 -18.024 1.00 75.45 H new ATOM 0 HB1 ALA A 31 -6.404 5.688 -20.004 1.00 72.21 H new ATOM 0 HB2 ALA A 31 -5.287 6.057 -18.668 1.00 72.21 H new ATOM 0 HB3 ALA A 31 -5.683 4.366 -19.055 1.00 72.21 H new ATOM 479 N SER A 32 -8.293 3.264 -18.149 1.00 43.31 N ATOM 480 CA SER A 32 -9.319 2.300 -18.503 1.00 34.32 C ATOM 481 C SER A 32 -10.703 2.866 -18.181 1.00 23.15 C ATOM 482 O SER A 32 -11.698 2.466 -18.785 1.00 40.10 O ATOM 483 CB SER A 32 -9.106 0.974 -17.771 1.00 71.25 C ATOM 484 OG SER A 32 -9.771 0.946 -16.511 1.00 62.25 O ATOM 0 H SER A 32 -7.500 2.875 -17.639 1.00 43.31 H new ATOM 0 HA SER A 32 -9.252 2.108 -19.574 1.00 34.32 H new ATOM 0 HB2 SER A 32 -9.470 0.155 -18.391 1.00 71.25 H new ATOM 0 HB3 SER A 32 -8.039 0.810 -17.621 1.00 71.25 H new ATOM 0 HG SER A 32 -9.636 1.800 -16.051 1.00 62.25 H new ATOM 490 N LEU A 33 -10.724 3.789 -17.231 1.00 11.20 N ATOM 491 CA LEU A 33 -11.970 4.415 -16.822 1.00 71.11 C ATOM 492 C LEU A 33 -12.439 5.372 -17.919 1.00 74.11 C ATOM 493 O LEU A 33 -13.517 5.193 -18.485 1.00 73.23 O ATOM 494 CB LEU A 33 -11.811 5.079 -15.452 1.00 2.45 C ATOM 495 CG LEU A 33 -12.157 4.212 -14.241 1.00 52.33 C ATOM 496 CD1 LEU A 33 -11.427 4.702 -12.990 1.00 64.24 C ATOM 497 CD2 LEU A 33 -13.671 4.141 -14.032 1.00 70.22 C ATOM 0 H LEU A 33 -9.898 4.119 -16.732 1.00 11.20 H new ATOM 0 HA LEU A 33 -12.751 3.665 -16.698 1.00 71.11 H new ATOM 0 HB2 LEU A 33 -10.779 5.414 -15.351 1.00 2.45 H new ATOM 0 HB3 LEU A 33 -12.439 5.970 -15.427 1.00 2.45 H new ATOM 0 HG LEU A 33 -11.812 3.197 -14.437 1.00 52.33 H new ATOM 0 HD11 LEU A 33 -11.691 4.068 -12.143 1.00 64.24 H new ATOM 0 HD12 LEU A 33 -10.351 4.657 -13.156 1.00 64.24 H new ATOM 0 HD13 LEU A 33 -11.719 5.731 -12.778 1.00 64.24 H new ATOM 0 HD21 LEU A 33 -13.890 3.518 -13.165 1.00 70.22 H new ATOM 0 HD22 LEU A 33 -14.063 5.145 -13.866 1.00 70.22 H new ATOM 0 HD23 LEU A 33 -14.140 3.709 -14.916 1.00 70.22 H new ATOM 509 N TRP A 34 -11.608 6.368 -18.187 1.00 34.13 N ATOM 510 CA TRP A 34 -11.924 7.353 -19.207 1.00 30.44 C ATOM 511 C TRP A 34 -10.927 7.183 -20.355 1.00 33.31 C ATOM 512 O TRP A 34 -11.323 6.956 -21.497 1.00 11.33 O ATOM 513 CB TRP A 34 -11.926 8.767 -18.621 1.00 35.33 C ATOM 514 CG TRP A 34 -10.551 9.250 -18.156 1.00 32.32 C ATOM 515 CD1 TRP A 34 -10.014 9.154 -16.933 1.00 71.33 C ATOM 516 CD2 TRP A 34 -9.555 9.913 -18.962 1.00 51.21 C ATOM 517 NE1 TRP A 34 -8.749 9.704 -16.891 1.00 62.41 N ATOM 518 CE2 TRP A 34 -8.461 10.180 -18.165 1.00 63.42 C ATOM 519 CE3 TRP A 34 -9.577 10.275 -20.320 1.00 14.23 C ATOM 520 CZ2 TRP A 34 -7.308 10.820 -18.633 1.00 11.43 C ATOM 521 CZ3 TRP A 34 -8.417 10.915 -20.775 1.00 73.15 C ATOM 522 CH2 TRP A 34 -7.308 11.190 -19.984 1.00 1.42 C ATOM 0 H TRP A 34 -10.716 6.514 -17.715 1.00 34.13 H new ATOM 0 HA TRP A 34 -12.931 7.197 -19.595 1.00 30.44 H new ATOM 0 HB2 TRP A 34 -12.308 9.459 -19.371 1.00 35.33 H new ATOM 0 HB3 TRP A 34 -12.615 8.799 -17.777 1.00 35.33 H new ATOM 0 HD1 TRP A 34 -10.509 8.703 -16.086 1.00 71.33 H new ATOM 0 HE1 TRP A 34 -8.138 9.752 -16.076 1.00 62.41 H new ATOM 0 HE3 TRP A 34 -10.422 10.075 -20.962 1.00 14.23 H new ATOM 0 HZ2 TRP A 34 -6.465 11.018 -17.988 1.00 11.43 H new ATOM 0 HZ3 TRP A 34 -8.382 11.215 -21.812 1.00 73.15 H new ATOM 0 HH2 TRP A 34 -6.449 11.687 -20.410 1.00 1.42 H new ATOM 533 N ASN A 35 -9.653 7.299 -20.011 1.00 31.15 N ATOM 534 CA ASN A 35 -8.596 7.161 -20.998 1.00 31.15 C ATOM 535 C ASN A 35 -8.964 7.963 -22.249 1.00 62.21 C ATOM 536 O ASN A 35 -8.105 8.251 -23.081 1.00 30.52 O ATOM 537 CB ASN A 35 -8.416 5.698 -21.412 1.00 23.22 C ATOM 538 CG ASN A 35 -7.818 5.595 -22.816 1.00 43.35 C ATOM 539 OD1 ASN A 35 -6.627 5.763 -23.025 1.00 32.12 O ATOM 540 ND2 ASN A 35 -8.706 5.311 -23.764 1.00 70.25 N ATOM 0 H ASN A 35 -9.329 7.487 -19.062 1.00 31.15 H new ATOM 0 HA ASN A 35 -7.671 7.527 -20.554 1.00 31.15 H new ATOM 0 HB2 ASN A 35 -7.766 5.192 -20.698 1.00 23.22 H new ATOM 0 HB3 ASN A 35 -9.379 5.188 -21.385 1.00 23.22 H new ATOM 0 HD21 ASN A 35 -8.405 5.221 -24.734 1.00 70.25 H new ATOM 0 HD22 ASN A 35 -9.688 5.183 -23.521 1.00 70.25 H new TER 547 ASN A 35