USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0752 (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 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -120:sc= -0.175 USER MOD Single : A 35 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.033 -10.158 -5.454 1.00 71.54 N ATOM 2 CA GLY A 1 -21.287 -8.892 -6.119 1.00 1.10 C ATOM 3 C GLY A 1 -20.192 -7.874 -5.797 1.00 15.25 C ATOM 4 O GLY A 1 -19.476 -8.018 -4.807 1.00 60.50 O ATOM 0 H1 GLY A 1 -20.787 -10.879 -6.162 1.00 71.54 H new ATOM 0 H2 GLY A 1 -20.245 -10.047 -4.785 1.00 71.54 H new ATOM 0 H3 GLY A 1 -21.885 -10.457 -4.938 1.00 71.54 H new ATOM 0 HA2 GLY A 1 -21.339 -9.047 -7.197 1.00 1.10 H new ATOM 0 HA3 GLY A 1 -22.255 -8.501 -5.807 1.00 1.10 H new ATOM 8 N ILE A 2 -20.094 -6.868 -6.653 1.00 5.05 N ATOM 9 CA ILE A 2 -19.098 -5.825 -6.472 1.00 74.22 C ATOM 10 C ILE A 2 -19.789 -4.539 -6.015 1.00 61.13 C ATOM 11 O ILE A 2 -20.158 -3.703 -6.838 1.00 22.42 O ATOM 12 CB ILE A 2 -18.262 -5.656 -7.743 1.00 33.33 C ATOM 13 CG1 ILE A 2 -19.156 -5.621 -8.985 1.00 53.44 C ATOM 14 CG2 ILE A 2 -17.188 -6.740 -7.840 1.00 54.14 C ATOM 15 CD1 ILE A 2 -18.618 -4.628 -10.018 1.00 32.53 C ATOM 0 H ILE A 2 -20.688 -6.753 -7.474 1.00 5.05 H new ATOM 0 HA ILE A 2 -18.393 -6.104 -5.689 1.00 74.22 H new ATOM 0 HB ILE A 2 -17.747 -4.697 -7.689 1.00 33.33 H new ATOM 0 HG12 ILE A 2 -19.212 -6.616 -9.426 1.00 53.44 H new ATOM 0 HG13 ILE A 2 -20.170 -5.342 -8.700 1.00 53.44 H new ATOM 0 HG21 ILE A 2 -16.608 -6.597 -8.752 1.00 54.14 H new ATOM 0 HG22 ILE A 2 -16.527 -6.676 -6.976 1.00 54.14 H new ATOM 0 HG23 ILE A 2 -17.662 -7.721 -7.862 1.00 54.14 H new ATOM 0 HD11 ILE A 2 -19.271 -4.622 -10.891 1.00 32.53 H new ATOM 0 HD12 ILE A 2 -18.587 -3.630 -9.581 1.00 32.53 H new ATOM 0 HD13 ILE A 2 -17.613 -4.924 -10.319 1.00 32.53 H new ATOM 27 N GLY A 3 -19.942 -4.421 -4.705 1.00 43.02 N ATOM 28 CA GLY A 3 -20.581 -3.250 -4.128 1.00 60.33 C ATOM 29 C GLY A 3 -19.976 -1.962 -4.689 1.00 51.43 C ATOM 30 O GLY A 3 -18.971 -1.470 -4.176 1.00 13.13 O ATOM 0 H GLY A 3 -19.635 -5.117 -4.026 1.00 43.02 H new ATOM 0 HA2 GLY A 3 -21.650 -3.275 -4.337 1.00 60.33 H new ATOM 0 HA3 GLY A 3 -20.468 -3.267 -3.044 1.00 60.33 H new ATOM 34 N ALA A 4 -20.611 -1.453 -5.734 1.00 3.20 N ATOM 35 CA ALA A 4 -20.147 -0.232 -6.369 1.00 24.43 C ATOM 36 C ALA A 4 -20.183 0.912 -5.354 1.00 41.31 C ATOM 37 O ALA A 4 -19.318 1.787 -5.368 1.00 20.05 O ATOM 38 CB ALA A 4 -21.004 0.059 -7.603 1.00 35.11 C ATOM 0 H ALA A 4 -21.443 -1.864 -6.157 1.00 3.20 H new ATOM 0 HA ALA A 4 -19.116 -0.343 -6.705 1.00 24.43 H new ATOM 0 HB1 ALA A 4 -20.656 0.975 -8.080 1.00 35.11 H new ATOM 0 HB2 ALA A 4 -20.922 -0.770 -8.306 1.00 35.11 H new ATOM 0 HB3 ALA A 4 -22.045 0.179 -7.303 1.00 35.11 H new ATOM 44 N PHE A 5 -21.191 0.869 -4.495 1.00 75.25 N ATOM 45 CA PHE A 5 -21.350 1.890 -3.474 1.00 33.54 C ATOM 46 C PHE A 5 -20.393 1.650 -2.305 1.00 1.53 C ATOM 47 O PHE A 5 -20.285 2.483 -1.406 1.00 53.15 O ATOM 48 CB PHE A 5 -22.790 1.795 -2.967 1.00 51.23 C ATOM 49 CG PHE A 5 -23.844 1.800 -4.077 1.00 53.24 C ATOM 50 CD1 PHE A 5 -25.035 1.174 -3.886 1.00 33.54 C ATOM 51 CD2 PHE A 5 -23.587 2.431 -5.254 1.00 42.12 C ATOM 52 CE1 PHE A 5 -26.013 1.179 -4.916 1.00 12.03 C ATOM 53 CE2 PHE A 5 -24.564 2.437 -6.285 1.00 63.53 C ATOM 54 CZ PHE A 5 -25.756 1.810 -6.094 1.00 63.15 C ATOM 0 H PHE A 5 -21.906 0.142 -4.485 1.00 75.25 H new ATOM 0 HA PHE A 5 -21.130 2.872 -3.892 1.00 33.54 H new ATOM 0 HB2 PHE A 5 -22.898 0.882 -2.382 1.00 51.23 H new ATOM 0 HB3 PHE A 5 -22.983 2.630 -2.294 1.00 51.23 H new ATOM 0 HD1 PHE A 5 -25.238 0.673 -2.951 1.00 33.54 H new ATOM 0 HD2 PHE A 5 -22.640 2.928 -5.405 1.00 42.12 H new ATOM 0 HE1 PHE A 5 -26.960 0.682 -4.764 1.00 12.03 H new ATOM 0 HE2 PHE A 5 -24.361 2.939 -7.220 1.00 63.53 H new ATOM 0 HZ PHE A 5 -26.499 1.813 -6.878 1.00 63.15 H new ATOM 64 N GLY A 6 -19.722 0.509 -2.356 1.00 62.43 N ATOM 65 CA GLY A 6 -18.778 0.149 -1.311 1.00 14.44 C ATOM 66 C GLY A 6 -17.374 -0.050 -1.888 1.00 72.31 C ATOM 67 O GLY A 6 -16.432 -0.334 -1.151 1.00 54.35 O ATOM 0 H GLY A 6 -19.813 -0.178 -3.104 1.00 62.43 H new ATOM 0 HA2 GLY A 6 -18.756 0.930 -0.551 1.00 14.44 H new ATOM 0 HA3 GLY A 6 -19.106 -0.766 -0.818 1.00 14.44 H new ATOM 71 N LEU A 7 -17.279 0.107 -3.200 1.00 61.04 N ATOM 72 CA LEU A 7 -16.007 -0.052 -3.883 1.00 11.42 C ATOM 73 C LEU A 7 -15.085 1.112 -3.513 1.00 32.22 C ATOM 74 O LEU A 7 -13.887 1.070 -3.786 1.00 3.23 O ATOM 75 CB LEU A 7 -16.224 -0.210 -5.390 1.00 44.43 C ATOM 76 CG LEU A 7 -15.042 -0.772 -6.182 1.00 72.35 C ATOM 77 CD1 LEU A 7 -14.964 -2.295 -6.043 1.00 43.35 C ATOM 78 CD2 LEU A 7 -15.104 -0.334 -7.646 1.00 1.14 C ATOM 0 H LEU A 7 -18.063 0.343 -3.808 1.00 61.04 H new ATOM 0 HA LEU A 7 -15.512 -0.967 -3.558 1.00 11.42 H new ATOM 0 HB2 LEU A 7 -17.084 -0.861 -5.547 1.00 44.43 H new ATOM 0 HB3 LEU A 7 -16.483 0.765 -5.804 1.00 44.43 H new ATOM 0 HG LEU A 7 -14.124 -0.361 -5.762 1.00 72.35 H new ATOM 0 HD11 LEU A 7 -14.115 -2.670 -6.615 1.00 43.35 H new ATOM 0 HD12 LEU A 7 -14.838 -2.559 -4.993 1.00 43.35 H new ATOM 0 HD13 LEU A 7 -15.883 -2.742 -6.422 1.00 43.35 H new ATOM 0 HD21 LEU A 7 -14.252 -0.747 -8.186 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -16.029 -0.696 -8.095 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -15.075 0.754 -7.702 1.00 1.14 H new ATOM 90 N LEU A 8 -15.680 2.123 -2.897 1.00 2.23 N ATOM 91 CA LEU A 8 -14.927 3.296 -2.487 1.00 0.34 C ATOM 92 C LEU A 8 -13.940 2.904 -1.386 1.00 43.12 C ATOM 93 O LEU A 8 -12.736 3.113 -1.524 1.00 54.42 O ATOM 94 CB LEU A 8 -15.875 4.429 -2.088 1.00 22.34 C ATOM 95 CG LEU A 8 -15.600 5.792 -2.726 1.00 53.51 C ATOM 96 CD1 LEU A 8 -15.517 5.677 -4.250 1.00 24.33 C ATOM 97 CD2 LEU A 8 -16.637 6.825 -2.284 1.00 62.13 C ATOM 0 H LEU A 8 -16.674 2.154 -2.672 1.00 2.23 H new ATOM 0 HA LEU A 8 -14.339 3.682 -3.320 1.00 0.34 H new ATOM 0 HB2 LEU A 8 -16.892 4.131 -2.341 1.00 22.34 H new ATOM 0 HB3 LEU A 8 -15.837 4.543 -1.005 1.00 22.34 H new ATOM 0 HG LEU A 8 -14.629 6.143 -2.376 1.00 53.51 H new ATOM 0 HD11 LEU A 8 -15.321 6.660 -4.679 1.00 24.33 H new ATOM 0 HD12 LEU A 8 -14.710 4.996 -4.520 1.00 24.33 H new ATOM 0 HD13 LEU A 8 -16.461 5.294 -4.638 1.00 24.33 H new ATOM 0 HD21 LEU A 8 -16.417 7.784 -2.752 1.00 62.13 H new ATOM 0 HD22 LEU A 8 -17.631 6.494 -2.584 1.00 62.13 H new ATOM 0 HD23 LEU A 8 -16.603 6.934 -1.200 1.00 62.13 H new ATOM 109 N GLY A 9 -14.487 2.344 -0.317 1.00 72.32 N ATOM 110 CA GLY A 9 -13.669 1.920 0.806 1.00 45.20 C ATOM 111 C GLY A 9 -12.838 0.687 0.447 1.00 41.42 C ATOM 112 O GLY A 9 -11.825 0.409 1.087 1.00 14.04 O ATOM 0 H GLY A 9 -15.487 2.174 -0.205 1.00 72.32 H new ATOM 0 HA2 GLY A 9 -13.008 2.733 1.106 1.00 45.20 H new ATOM 0 HA3 GLY A 9 -14.307 1.696 1.661 1.00 45.20 H new ATOM 116 N PHE A 10 -13.297 -0.019 -0.575 1.00 3.25 N ATOM 117 CA PHE A 10 -12.609 -1.216 -1.029 1.00 44.13 C ATOM 118 C PHE A 10 -11.259 -0.867 -1.657 1.00 21.04 C ATOM 119 O PHE A 10 -10.257 -1.529 -1.393 1.00 71.54 O ATOM 120 CB PHE A 10 -13.499 -1.869 -2.089 1.00 44.55 C ATOM 121 CG PHE A 10 -13.097 -3.303 -2.440 1.00 44.14 C ATOM 122 CD1 PHE A 10 -13.936 -4.334 -2.153 1.00 2.51 C ATOM 123 CD2 PHE A 10 -11.900 -3.547 -3.038 1.00 1.50 C ATOM 124 CE1 PHE A 10 -13.563 -5.665 -2.478 1.00 40.21 C ATOM 125 CE2 PHE A 10 -11.527 -4.878 -3.363 1.00 50.21 C ATOM 126 CZ PHE A 10 -12.366 -5.908 -3.076 1.00 33.44 C ATOM 0 H PHE A 10 -14.138 0.215 -1.103 1.00 3.25 H new ATOM 0 HA PHE A 10 -12.426 -1.882 -0.186 1.00 44.13 H new ATOM 0 HB2 PHE A 10 -14.530 -1.868 -1.734 1.00 44.55 H new ATOM 0 HB3 PHE A 10 -13.473 -1.263 -2.995 1.00 44.55 H new ATOM 0 HD1 PHE A 10 -14.886 -4.140 -1.678 1.00 2.51 H new ATOM 0 HD2 PHE A 10 -11.233 -2.728 -3.266 1.00 1.50 H new ATOM 0 HE1 PHE A 10 -14.229 -6.484 -2.250 1.00 40.21 H new ATOM 0 HE2 PHE A 10 -10.577 -5.072 -3.838 1.00 50.21 H new ATOM 0 HZ PHE A 10 -12.082 -6.920 -3.323 1.00 33.44 H new ATOM 136 N LEU A 11 -11.275 0.174 -2.478 1.00 45.13 N ATOM 137 CA LEU A 11 -10.064 0.619 -3.146 1.00 53.24 C ATOM 138 C LEU A 11 -9.114 1.231 -2.115 1.00 52.42 C ATOM 139 O LEU A 11 -7.922 0.925 -2.105 1.00 62.22 O ATOM 140 CB LEU A 11 -10.405 1.559 -4.303 1.00 25.45 C ATOM 141 CG LEU A 11 -10.554 0.905 -5.677 1.00 14.42 C ATOM 142 CD1 LEU A 11 -9.186 0.575 -6.279 1.00 42.50 C ATOM 143 CD2 LEU A 11 -11.459 -0.326 -5.605 1.00 45.32 C ATOM 0 H LEU A 11 -12.108 0.722 -2.695 1.00 45.13 H new ATOM 0 HA LEU A 11 -9.544 -0.227 -3.596 1.00 53.24 H new ATOM 0 HB2 LEU A 11 -11.336 2.073 -4.065 1.00 25.45 H new ATOM 0 HB3 LEU A 11 -9.628 2.320 -4.367 1.00 25.45 H new ATOM 0 HG LEU A 11 -11.036 1.620 -6.344 1.00 14.42 H new ATOM 0 HD11 LEU A 11 -9.321 0.111 -7.256 1.00 42.50 H new ATOM 0 HD12 LEU A 11 -8.606 1.492 -6.390 1.00 42.50 H new ATOM 0 HD13 LEU A 11 -8.655 -0.113 -5.621 1.00 42.50 H new ATOM 0 HD21 LEU A 11 -11.547 -0.771 -6.596 1.00 45.32 H new ATOM 0 HD22 LEU A 11 -11.029 -1.054 -4.917 1.00 45.32 H new ATOM 0 HD23 LEU A 11 -12.447 -0.031 -5.250 1.00 45.32 H new ATOM 155 N ALA A 12 -9.676 2.086 -1.273 1.00 42.24 N ATOM 156 CA ALA A 12 -8.893 2.744 -0.241 1.00 71.23 C ATOM 157 C ALA A 12 -8.230 1.686 0.643 1.00 50.33 C ATOM 158 O ALA A 12 -7.151 1.913 1.187 1.00 42.21 O ATOM 159 CB ALA A 12 -9.792 3.690 0.557 1.00 23.34 C ATOM 0 H ALA A 12 -10.664 2.338 -1.285 1.00 42.24 H new ATOM 0 HA ALA A 12 -8.100 3.345 -0.686 1.00 71.23 H new ATOM 0 HB1 ALA A 12 -9.205 4.184 1.331 1.00 23.34 H new ATOM 0 HB2 ALA A 12 -10.215 4.440 -0.111 1.00 23.34 H new ATOM 0 HB3 ALA A 12 -10.598 3.121 1.020 1.00 23.34 H new ATOM 165 N ALA A 13 -8.904 0.550 0.760 1.00 1.34 N ATOM 166 CA ALA A 13 -8.394 -0.544 1.568 1.00 5.31 C ATOM 167 C ALA A 13 -7.071 -1.034 0.977 1.00 44.25 C ATOM 168 O ALA A 13 -6.116 -1.288 1.711 1.00 24.53 O ATOM 169 CB ALA A 13 -9.444 -1.653 1.647 1.00 65.30 C ATOM 0 H ALA A 13 -9.799 0.365 0.308 1.00 1.34 H new ATOM 0 HA ALA A 13 -8.196 -0.210 2.587 1.00 5.31 H new ATOM 0 HB1 ALA A 13 -9.061 -2.474 2.253 1.00 65.30 H new ATOM 0 HB2 ALA A 13 -10.354 -1.261 2.101 1.00 65.30 H new ATOM 0 HB3 ALA A 13 -9.666 -2.016 0.643 1.00 65.30 H new ATOM 175 N GLY A 14 -7.057 -1.154 -0.342 1.00 64.14 N ATOM 176 CA GLY A 14 -5.866 -1.610 -1.039 1.00 21.41 C ATOM 177 C GLY A 14 -4.631 -0.832 -0.581 1.00 13.22 C ATOM 178 O GLY A 14 -3.543 -1.395 -0.473 1.00 74.24 O ATOM 0 H GLY A 14 -7.851 -0.944 -0.947 1.00 64.14 H new ATOM 0 HA2 GLY A 14 -5.718 -2.674 -0.856 1.00 21.41 H new ATOM 0 HA3 GLY A 14 -6.000 -1.487 -2.114 1.00 21.41 H new ATOM 182 N SER A 15 -4.840 0.451 -0.324 1.00 30.35 N ATOM 183 CA SER A 15 -3.757 1.311 0.118 1.00 43.20 C ATOM 184 C SER A 15 -3.192 0.800 1.445 1.00 44.24 C ATOM 185 O SER A 15 -1.993 0.912 1.697 1.00 44.54 O ATOM 186 CB SER A 15 -4.229 2.759 0.266 1.00 4.44 C ATOM 187 OG SER A 15 -3.171 3.690 0.051 1.00 24.32 O ATOM 0 H SER A 15 -5.744 0.915 -0.414 1.00 30.35 H new ATOM 0 HA SER A 15 -2.972 1.288 -0.638 1.00 43.20 H new ATOM 0 HB2 SER A 15 -5.033 2.953 -0.445 1.00 4.44 H new ATOM 0 HB3 SER A 15 -4.643 2.905 1.263 1.00 4.44 H new ATOM 0 HG SER A 15 -3.513 4.603 0.153 1.00 24.32 H new ATOM 193 N LYS A 16 -4.081 0.249 2.258 1.00 2.35 N ATOM 194 CA LYS A 16 -3.686 -0.279 3.553 1.00 12.14 C ATOM 195 C LYS A 16 -2.757 -1.477 3.346 1.00 45.12 C ATOM 196 O LYS A 16 -2.034 -1.870 4.261 1.00 41.11 O ATOM 197 CB LYS A 16 -4.919 -0.595 4.401 1.00 31.42 C ATOM 198 CG LYS A 16 -5.699 0.679 4.732 1.00 34.42 C ATOM 199 CD LYS A 16 -5.010 1.470 5.844 1.00 24.20 C ATOM 200 CE LYS A 16 -5.188 0.781 7.199 1.00 74.01 C ATOM 201 NZ LYS A 16 -4.748 1.671 8.296 1.00 13.51 N ATOM 0 H LYS A 16 -5.074 0.157 2.045 1.00 2.35 H new ATOM 0 HA LYS A 16 -3.125 0.467 4.115 1.00 12.14 H new ATOM 0 HB2 LYS A 16 -5.564 -1.292 3.866 1.00 31.42 H new ATOM 0 HB3 LYS A 16 -4.613 -1.088 5.324 1.00 31.42 H new ATOM 0 HG2 LYS A 16 -5.785 1.299 3.840 1.00 34.42 H new ATOM 0 HG3 LYS A 16 -6.712 0.420 5.039 1.00 34.42 H new ATOM 0 HD2 LYS A 16 -3.948 1.570 5.620 1.00 24.20 H new ATOM 0 HD3 LYS A 16 -5.423 2.478 5.888 1.00 24.20 H new ATOM 0 HE2 LYS A 16 -6.234 0.510 7.341 1.00 74.01 H new ATOM 0 HE3 LYS A 16 -4.613 -0.145 7.221 1.00 74.01 H new ATOM 0 HZ1 LYS A 16 -4.876 1.187 9.208 1.00 13.51 H new ATOM 0 HZ2 LYS A 16 -3.744 1.909 8.168 1.00 13.51 H new ATOM 0 HZ3 LYS A 16 -5.315 2.543 8.284 1.00 13.51 H new ATOM 214 N LYS A 17 -2.807 -2.023 2.141 1.00 74.54 N ATOM 215 CA LYS A 17 -1.979 -3.169 1.804 1.00 10.32 C ATOM 216 C LYS A 17 -0.571 -2.687 1.448 1.00 55.01 C ATOM 217 O LYS A 17 0.415 -3.173 2.002 1.00 23.32 O ATOM 218 CB LYS A 17 -2.640 -4.004 0.705 1.00 11.31 C ATOM 219 CG LYS A 17 -2.175 -5.460 0.768 1.00 3.20 C ATOM 220 CD LYS A 17 -0.972 -5.692 -0.149 1.00 53.43 C ATOM 221 CE LYS A 17 -1.379 -6.471 -1.401 1.00 40.44 C ATOM 222 NZ LYS A 17 -0.354 -7.484 -1.737 1.00 61.32 N ATOM 0 H LYS A 17 -3.408 -1.694 1.385 1.00 74.54 H new ATOM 0 HA LYS A 17 -1.882 -3.835 2.662 1.00 10.32 H new ATOM 0 HB2 LYS A 17 -3.724 -3.960 0.812 1.00 11.31 H new ATOM 0 HB3 LYS A 17 -2.399 -3.583 -0.271 1.00 11.31 H new ATOM 0 HG2 LYS A 17 -1.910 -5.717 1.794 1.00 3.20 H new ATOM 0 HG3 LYS A 17 -2.992 -6.119 0.476 1.00 3.20 H new ATOM 0 HD2 LYS A 17 -0.540 -4.734 -0.437 1.00 53.43 H new ATOM 0 HD3 LYS A 17 -0.200 -6.241 0.390 1.00 53.43 H new ATOM 0 HE2 LYS A 17 -2.340 -6.958 -1.237 1.00 40.44 H new ATOM 0 HE3 LYS A 17 -1.508 -5.784 -2.238 1.00 40.44 H new ATOM 0 HZ1 LYS A 17 -0.646 -8.004 -2.589 1.00 61.32 H new ATOM 0 HZ2 LYS A 17 0.556 -7.012 -1.914 1.00 61.32 H new ATOM 0 HZ3 LYS A 17 -0.250 -8.149 -0.944 1.00 61.32 H new HETATM 235 C1 ACA A 18 4.747 2.541 -1.114 1.00 4.23 C HETATM 236 O1 ACA A 18 5.515 3.153 -0.372 1.00 50.31 O HETATM 237 C2 ACA A 18 3.427 2.946 -0.580 1.00 11.41 C HETATM 238 C3 ACA A 18 2.817 1.817 0.252 1.00 44.01 C HETATM 239 C4 ACA A 18 1.832 0.993 -0.579 1.00 1.23 C HETATM 240 C5 ACA A 18 0.783 0.327 0.314 1.00 2.13 C HETATM 241 C6 ACA A 18 0.750 -1.186 0.088 1.00 3.51 C HETATM 242 N6 ACA A 18 -0.521 -1.738 0.525 1.00 53.42 N HETATM 0 H62 ACA A 18 0.904 -1.405 -0.968 1.00 3.51 H new HETATM 0 H61 ACA A 18 1.566 -1.659 0.634 1.00 3.51 H new HETATM 0 H52 ACA A 18 1.005 0.537 1.360 1.00 2.13 H new HETATM 0 H51 ACA A 18 -0.199 0.751 0.105 1.00 2.13 H new HETATM 0 H42 ACA A 18 1.339 1.636 -1.308 1.00 1.23 H new HETATM 0 H41 ACA A 18 2.373 0.231 -1.141 1.00 1.23 H new HETATM 0 H32 ACA A 18 3.609 1.170 0.630 1.00 44.01 H new HETATM 0 H31 ACA A 18 2.306 2.235 1.119 1.00 44.01 H new HETATM 0 H22 ACA A 18 3.535 3.840 0.034 1.00 11.41 H new HETATM 0 H21 ACA A 18 2.759 3.202 -1.402 1.00 11.41 H new ATOM 254 N LYS A 19 4.809 1.240 -1.350 1.00 34.00 N ATOM 255 CA LYS A 19 5.828 0.413 -0.726 1.00 5.51 C ATOM 256 C LYS A 19 7.211 0.975 -1.062 1.00 72.12 C ATOM 257 O LYS A 19 7.712 1.857 -0.367 1.00 24.10 O ATOM 258 CB LYS A 19 5.645 -1.053 -1.123 1.00 52.52 C ATOM 259 CG LYS A 19 4.312 -1.599 -0.608 1.00 74.02 C ATOM 260 CD LYS A 19 4.460 -3.045 -0.129 1.00 22.21 C ATOM 261 CE LYS A 19 4.703 -3.990 -1.307 1.00 52.33 C ATOM 262 NZ LYS A 19 3.805 -5.163 -1.223 1.00 74.23 N ATOM 0 HA LYS A 19 5.729 0.439 0.359 1.00 5.51 H new ATOM 0 HB2 LYS A 19 5.686 -1.147 -2.208 1.00 52.52 H new ATOM 0 HB3 LYS A 19 6.465 -1.647 -0.721 1.00 52.52 H new ATOM 0 HG2 LYS A 19 3.952 -0.976 0.211 1.00 74.02 H new ATOM 0 HG3 LYS A 19 3.564 -1.549 -1.400 1.00 74.02 H new ATOM 0 HD2 LYS A 19 5.289 -3.116 0.575 1.00 22.21 H new ATOM 0 HD3 LYS A 19 3.560 -3.349 0.406 1.00 22.21 H new ATOM 0 HE2 LYS A 19 4.534 -3.462 -2.245 1.00 52.33 H new ATOM 0 HE3 LYS A 19 5.742 -4.319 -1.309 1.00 52.33 H new ATOM 0 HZ1 LYS A 19 3.983 -5.795 -2.030 1.00 74.23 H new ATOM 0 HZ2 LYS A 19 3.985 -5.675 -0.336 1.00 74.23 H new ATOM 0 HZ3 LYS A 19 2.815 -4.845 -1.244 1.00 74.23 H new ATOM 275 N ASN A 20 7.788 0.440 -2.127 1.00 74.04 N ATOM 276 CA ASN A 20 9.103 0.876 -2.564 1.00 73.33 C ATOM 277 C ASN A 20 8.955 1.777 -3.792 1.00 3.30 C ATOM 278 O ASN A 20 7.907 2.386 -3.996 1.00 23.11 O ATOM 279 CB ASN A 20 9.978 -0.317 -2.957 1.00 64.15 C ATOM 280 CG ASN A 20 9.665 -1.536 -2.086 1.00 24.22 C ATOM 281 OD1 ASN A 20 9.063 -2.504 -2.521 1.00 40.11 O ATOM 282 ND2 ASN A 20 10.105 -1.435 -0.835 1.00 64.31 N ATOM 0 H ASN A 20 7.369 -0.292 -2.701 1.00 74.04 H new ATOM 0 HA ASN A 20 9.572 1.411 -1.738 1.00 73.33 H new ATOM 0 HB2 ASN A 20 9.814 -0.563 -4.006 1.00 64.15 H new ATOM 0 HB3 ASN A 20 11.030 -0.051 -2.853 1.00 64.15 H new ATOM 0 HD21 ASN A 20 9.945 -2.196 -0.175 1.00 64.31 H new ATOM 0 HD22 ASN A 20 10.602 -0.596 -0.535 1.00 64.31 H new ATOM 289 N GLU A 21 10.022 1.834 -4.577 1.00 64.31 N ATOM 290 CA GLU A 21 10.023 2.650 -5.779 1.00 60.31 C ATOM 291 C GLU A 21 8.768 2.375 -6.609 1.00 63.21 C ATOM 292 O GLU A 21 8.343 3.218 -7.398 1.00 43.13 O ATOM 293 CB GLU A 21 11.290 2.410 -6.603 1.00 3.05 C ATOM 294 CG GLU A 21 11.476 0.921 -6.899 1.00 75.15 C ATOM 295 CD GLU A 21 12.933 0.500 -6.693 1.00 52.44 C ATOM 296 OE1 GLU A 21 13.846 1.322 -6.859 1.00 21.51 O ATOM 297 OE2 GLU A 21 13.100 -0.732 -6.347 1.00 51.33 O ATOM 0 H GLU A 21 10.891 1.328 -4.404 1.00 64.31 H new ATOM 0 HA GLU A 21 10.015 3.699 -5.483 1.00 60.31 H new ATOM 0 HB2 GLU A 21 11.231 2.966 -7.539 1.00 3.05 H new ATOM 0 HB3 GLU A 21 12.157 2.788 -6.062 1.00 3.05 H new ATOM 0 HG2 GLU A 21 10.828 0.333 -6.249 1.00 75.15 H new ATOM 0 HG3 GLU A 21 11.174 0.710 -7.925 1.00 75.15 H new ATOM 305 N GLN A 22 8.209 1.191 -6.404 1.00 11.22 N ATOM 306 CA GLN A 22 7.012 0.794 -7.125 1.00 63.24 C ATOM 307 C GLN A 22 6.045 1.974 -7.240 1.00 1.42 C ATOM 308 O GLN A 22 5.610 2.320 -8.337 1.00 12.24 O ATOM 309 CB GLN A 22 6.337 -0.403 -6.449 1.00 11.14 C ATOM 310 CG GLN A 22 5.895 -1.439 -7.485 1.00 2.03 C ATOM 311 CD GLN A 22 5.018 -2.515 -6.842 1.00 31.43 C ATOM 312 OE1 GLN A 22 3.811 -2.555 -7.017 1.00 35.13 O ATOM 313 NE2 GLN A 22 5.690 -3.383 -6.092 1.00 64.41 N ATOM 0 H GLN A 22 8.563 0.494 -5.749 1.00 11.22 H new ATOM 0 HA GLN A 22 7.302 0.488 -8.130 1.00 63.24 H new ATOM 0 HB2 GLN A 22 7.027 -0.862 -5.741 1.00 11.14 H new ATOM 0 HB3 GLN A 22 5.473 -0.063 -5.877 1.00 11.14 H new ATOM 0 HG2 GLN A 22 5.344 -0.946 -8.286 1.00 2.03 H new ATOM 0 HG3 GLN A 22 6.771 -1.902 -7.939 1.00 2.03 H new ATOM 0 HE21 GLN A 22 6.701 -3.292 -5.988 1.00 64.41 H new ATOM 0 HE22 GLN A 22 5.195 -4.140 -5.621 1.00 64.41 H new ATOM 322 N GLU A 23 5.739 2.561 -6.092 1.00 71.43 N ATOM 323 CA GLU A 23 4.832 3.696 -6.051 1.00 63.11 C ATOM 324 C GLU A 23 5.407 4.864 -6.853 1.00 42.00 C ATOM 325 O GLU A 23 4.674 5.566 -7.548 1.00 20.30 O ATOM 326 CB GLU A 23 4.541 4.112 -4.608 1.00 63.12 C ATOM 327 CG GLU A 23 3.427 5.160 -4.554 1.00 44.21 C ATOM 328 CD GLU A 23 2.834 5.258 -3.146 1.00 2.54 C ATOM 329 OE1 GLU A 23 3.378 5.977 -2.294 1.00 63.31 O ATOM 330 OE2 GLU A 23 1.771 4.556 -2.952 1.00 74.33 O ATOM 0 H GLU A 23 6.103 2.272 -5.184 1.00 71.43 H new ATOM 0 HA GLU A 23 3.887 3.399 -6.507 1.00 63.11 H new ATOM 0 HB2 GLU A 23 4.251 3.238 -4.025 1.00 63.12 H new ATOM 0 HB3 GLU A 23 5.446 4.514 -4.152 1.00 63.12 H new ATOM 0 HG2 GLU A 23 3.821 6.131 -4.855 1.00 44.21 H new ATOM 0 HG3 GLU A 23 2.643 4.900 -5.265 1.00 44.21 H new ATOM 338 N LEU A 24 6.715 5.038 -6.730 1.00 44.11 N ATOM 339 CA LEU A 24 7.398 6.109 -7.435 1.00 4.21 C ATOM 340 C LEU A 24 6.942 6.124 -8.895 1.00 10.40 C ATOM 341 O LEU A 24 6.492 7.153 -9.399 1.00 52.44 O ATOM 342 CB LEU A 24 8.913 5.983 -7.265 1.00 41.23 C ATOM 343 CG LEU A 24 9.648 7.256 -6.841 1.00 43.14 C ATOM 344 CD1 LEU A 24 9.315 8.420 -7.778 1.00 54.43 C ATOM 345 CD2 LEU A 24 9.357 7.597 -5.378 1.00 51.00 C ATOM 0 H LEU A 24 7.320 4.455 -6.152 1.00 44.11 H new ATOM 0 HA LEU A 24 7.133 7.076 -7.007 1.00 4.21 H new ATOM 0 HB2 LEU A 24 9.112 5.208 -6.525 1.00 41.23 H new ATOM 0 HB3 LEU A 24 9.337 5.639 -8.208 1.00 41.23 H new ATOM 0 HG LEU A 24 10.720 7.074 -6.922 1.00 43.14 H new ATOM 0 HD11 LEU A 24 9.850 9.312 -7.454 1.00 54.43 H new ATOM 0 HD12 LEU A 24 9.615 8.166 -8.795 1.00 54.43 H new ATOM 0 HD13 LEU A 24 8.242 8.612 -7.753 1.00 54.43 H new ATOM 0 HD21 LEU A 24 9.892 8.506 -5.103 1.00 51.00 H new ATOM 0 HD22 LEU A 24 8.286 7.752 -5.247 1.00 51.00 H new ATOM 0 HD23 LEU A 24 9.685 6.776 -4.741 1.00 51.00 H new ATOM 357 N LEU A 25 7.073 4.971 -9.534 1.00 12.13 N ATOM 358 CA LEU A 25 6.681 4.839 -10.927 1.00 11.01 C ATOM 359 C LEU A 25 5.223 5.274 -11.086 1.00 42.01 C ATOM 360 O LEU A 25 4.821 5.734 -12.153 1.00 11.15 O ATOM 361 CB LEU A 25 6.957 3.420 -11.429 1.00 62.54 C ATOM 362 CG LEU A 25 8.413 2.956 -11.363 1.00 21.25 C ATOM 363 CD1 LEU A 25 9.372 4.138 -11.520 1.00 74.24 C ATOM 364 CD2 LEU A 25 8.680 2.168 -10.079 1.00 35.11 C ATOM 0 H LEU A 25 7.445 4.120 -9.113 1.00 12.13 H new ATOM 0 HA LEU A 25 7.281 5.498 -11.555 1.00 11.01 H new ATOM 0 HB2 LEU A 25 6.349 2.726 -10.849 1.00 62.54 H new ATOM 0 HB3 LEU A 25 6.621 3.350 -12.464 1.00 62.54 H new ATOM 0 HG LEU A 25 8.595 2.280 -12.199 1.00 21.25 H new ATOM 0 HD11 LEU A 25 10.401 3.781 -11.469 1.00 74.24 H new ATOM 0 HD12 LEU A 25 9.202 4.619 -12.483 1.00 74.24 H new ATOM 0 HD13 LEU A 25 9.198 4.857 -10.719 1.00 74.24 H new ATOM 0 HD21 LEU A 25 9.722 1.850 -10.057 1.00 35.11 H new ATOM 0 HD22 LEU A 25 8.476 2.800 -9.215 1.00 35.11 H new ATOM 0 HD23 LEU A 25 8.033 1.292 -10.049 1.00 35.11 H new ATOM 376 N GLU A 26 4.471 5.114 -10.007 1.00 44.00 N ATOM 377 CA GLU A 26 3.066 5.486 -10.012 1.00 72.31 C ATOM 378 C GLU A 26 2.919 7.008 -10.057 1.00 41.41 C ATOM 379 O GLU A 26 2.049 7.532 -10.751 1.00 73.41 O ATOM 380 CB GLU A 26 2.339 4.901 -8.800 1.00 71.43 C ATOM 381 CG GLU A 26 0.847 4.728 -9.086 1.00 24.51 C ATOM 382 CD GLU A 26 0.002 5.213 -7.906 1.00 24.34 C ATOM 383 OE1 GLU A 26 -0.082 4.524 -6.879 1.00 24.43 O ATOM 384 OE2 GLU A 26 -0.579 6.351 -8.084 1.00 24.33 O ATOM 0 H GLU A 26 4.808 4.732 -9.123 1.00 44.00 H new ATOM 0 HA GLU A 26 2.604 5.070 -10.907 1.00 72.31 H new ATOM 0 HB2 GLU A 26 2.777 3.938 -8.539 1.00 71.43 H new ATOM 0 HB3 GLU A 26 2.474 5.556 -7.939 1.00 71.43 H new ATOM 0 HG2 GLU A 26 0.578 5.285 -9.983 1.00 24.51 H new ATOM 0 HG3 GLU A 26 0.631 3.678 -9.286 1.00 24.51 H new ATOM 392 N LEU A 27 3.784 7.677 -9.307 1.00 61.45 N ATOM 393 CA LEU A 27 3.762 9.128 -9.252 1.00 61.31 C ATOM 394 C LEU A 27 4.421 9.691 -10.512 1.00 3.14 C ATOM 395 O LEU A 27 4.094 10.795 -10.948 1.00 63.41 O ATOM 396 CB LEU A 27 4.395 9.625 -7.951 1.00 72.30 C ATOM 397 CG LEU A 27 3.635 9.294 -6.666 1.00 65.03 C ATOM 398 CD1 LEU A 27 2.939 10.536 -6.104 1.00 12.25 C ATOM 399 CD2 LEU A 27 2.655 8.141 -6.889 1.00 30.40 C ATOM 0 H LEU A 27 4.504 7.240 -8.733 1.00 61.45 H new ATOM 0 HA LEU A 27 2.735 9.494 -9.238 1.00 61.31 H new ATOM 0 HB2 LEU A 27 5.398 9.205 -7.875 1.00 72.30 H new ATOM 0 HB3 LEU A 27 4.507 10.707 -8.015 1.00 72.30 H new ATOM 0 HG LEU A 27 4.357 8.963 -5.919 1.00 65.03 H new ATOM 0 HD11 LEU A 27 2.406 10.272 -5.190 1.00 12.25 H new ATOM 0 HD12 LEU A 27 3.683 11.301 -5.882 1.00 12.25 H new ATOM 0 HD13 LEU A 27 2.231 10.920 -6.839 1.00 12.25 H new ATOM 0 HD21 LEU A 27 2.128 7.926 -5.959 1.00 30.40 H new ATOM 0 HD22 LEU A 27 1.935 8.419 -7.658 1.00 30.40 H new ATOM 0 HD23 LEU A 27 3.203 7.254 -7.208 1.00 30.40 H new ATOM 411 N ASP A 28 5.337 8.909 -11.063 1.00 41.23 N ATOM 412 CA ASP A 28 6.047 9.317 -12.264 1.00 24.21 C ATOM 413 C ASP A 28 5.047 9.471 -13.412 1.00 13.53 C ATOM 414 O ASP A 28 5.329 10.150 -14.398 1.00 13.14 O ATOM 415 CB ASP A 28 7.081 8.268 -12.676 1.00 44.11 C ATOM 416 CG ASP A 28 8.524 8.598 -12.291 1.00 53.05 C ATOM 417 OD1 ASP A 28 9.038 8.123 -11.267 1.00 2.01 O ATOM 418 OD2 ASP A 28 9.138 9.390 -13.105 1.00 64.25 O ATOM 0 H ASP A 28 5.604 7.994 -10.700 1.00 41.23 H new ATOM 0 HA ASP A 28 6.554 10.259 -12.054 1.00 24.21 H new ATOM 0 HB2 ASP A 28 6.809 7.314 -12.224 1.00 44.11 H new ATOM 0 HB3 ASP A 28 7.030 8.134 -13.757 1.00 44.11 H new ATOM 424 N LYS A 29 3.900 8.830 -13.247 1.00 71.54 N ATOM 425 CA LYS A 29 2.857 8.887 -14.257 1.00 1.04 C ATOM 426 C LYS A 29 2.116 10.221 -14.144 1.00 4.43 C ATOM 427 O LYS A 29 1.198 10.493 -14.916 1.00 61.24 O ATOM 428 CB LYS A 29 1.943 7.665 -14.153 1.00 4.43 C ATOM 429 CG LYS A 29 2.677 6.392 -14.579 1.00 12.05 C ATOM 430 CD LYS A 29 2.809 6.319 -16.102 1.00 2.04 C ATOM 431 CE LYS A 29 3.450 4.999 -16.534 1.00 30.05 C ATOM 432 NZ LYS A 29 4.912 5.162 -16.698 1.00 4.40 N ATOM 0 H LYS A 29 3.669 8.268 -12.428 1.00 71.54 H new ATOM 0 HA LYS A 29 3.291 8.847 -15.256 1.00 1.04 H new ATOM 0 HB2 LYS A 29 1.588 7.558 -13.128 1.00 4.43 H new ATOM 0 HB3 LYS A 29 1.064 7.810 -14.781 1.00 4.43 H new ATOM 0 HG2 LYS A 29 3.667 6.369 -14.123 1.00 12.05 H new ATOM 0 HG3 LYS A 29 2.138 5.518 -14.215 1.00 12.05 H new ATOM 0 HD2 LYS A 29 1.825 6.417 -16.561 1.00 2.04 H new ATOM 0 HD3 LYS A 29 3.412 7.154 -16.459 1.00 2.04 H new ATOM 0 HE2 LYS A 29 3.245 4.228 -15.791 1.00 30.05 H new ATOM 0 HE3 LYS A 29 3.008 4.663 -17.472 1.00 30.05 H new ATOM 0 HZ1 LYS A 29 5.331 4.257 -16.991 1.00 4.40 H new ATOM 0 HZ2 LYS A 29 5.102 5.883 -17.423 1.00 4.40 H new ATOM 0 HZ3 LYS A 29 5.331 5.461 -15.795 1.00 4.40 H new ATOM 445 N TRP A 30 2.544 11.019 -13.176 1.00 73.53 N ATOM 446 CA TRP A 30 1.933 12.318 -12.951 1.00 35.34 C ATOM 447 C TRP A 30 1.676 12.961 -14.316 1.00 20.41 C ATOM 448 O TRP A 30 0.560 13.391 -14.604 1.00 61.13 O ATOM 449 CB TRP A 30 2.802 13.182 -12.037 1.00 0.25 C ATOM 450 CG TRP A 30 2.497 13.015 -10.547 1.00 31.13 C ATOM 451 CD1 TRP A 30 3.359 12.780 -9.549 1.00 33.42 C ATOM 452 CD2 TRP A 30 1.196 13.081 -9.923 1.00 54.33 C ATOM 453 NE1 TRP A 30 2.713 12.690 -8.333 1.00 74.14 N ATOM 454 CE2 TRP A 30 1.357 12.878 -8.568 1.00 24.42 C ATOM 455 CE3 TRP A 30 -0.073 13.303 -10.486 1.00 15.44 C ATOM 456 CZ2 TRP A 30 0.290 12.878 -7.661 1.00 21.42 C ATOM 457 CZ3 TRP A 30 -1.128 13.300 -9.568 1.00 64.14 C ATOM 458 CH2 TRP A 30 -0.984 13.098 -8.199 1.00 34.41 C ATOM 0 H TRP A 30 3.307 10.791 -12.539 1.00 73.53 H new ATOM 0 HA TRP A 30 0.981 12.212 -12.431 1.00 35.34 H new ATOM 0 HB2 TRP A 30 3.850 12.938 -12.212 1.00 0.25 H new ATOM 0 HB3 TRP A 30 2.669 14.229 -12.309 1.00 0.25 H new ATOM 0 HD1 TRP A 30 4.426 12.674 -9.680 1.00 33.42 H new ATOM 0 HE1 TRP A 30 3.151 12.517 -7.428 1.00 74.14 H new ATOM 0 HE3 TRP A 30 -0.221 13.463 -11.544 1.00 15.44 H new ATOM 0 HZ2 TRP A 30 0.441 12.717 -6.604 1.00 21.42 H new ATOM 0 HZ3 TRP A 30 -2.125 13.466 -9.949 1.00 64.14 H new ATOM 0 HH2 TRP A 30 -1.850 13.111 -7.554 1.00 34.41 H new ATOM 469 N ALA A 31 2.728 13.007 -15.120 1.00 63.13 N ATOM 470 CA ALA A 31 2.630 13.591 -16.447 1.00 35.00 C ATOM 471 C ALA A 31 1.793 12.675 -17.342 1.00 14.32 C ATOM 472 O ALA A 31 1.011 13.150 -18.165 1.00 63.13 O ATOM 473 CB ALA A 31 4.034 13.827 -17.006 1.00 42.43 C ATOM 0 H ALA A 31 3.652 12.650 -14.878 1.00 63.13 H new ATOM 0 HA ALA A 31 2.129 14.558 -16.404 1.00 35.00 H new ATOM 0 HB1 ALA A 31 3.960 14.265 -18.001 1.00 42.43 H new ATOM 0 HB2 ALA A 31 4.577 14.507 -16.350 1.00 42.43 H new ATOM 0 HB3 ALA A 31 4.566 12.878 -17.066 1.00 42.43 H new ATOM 479 N SER A 32 1.987 11.378 -17.152 1.00 13.11 N ATOM 480 CA SER A 32 1.260 10.391 -17.932 1.00 14.23 C ATOM 481 C SER A 32 -0.224 10.762 -17.994 1.00 53.12 C ATOM 482 O SER A 32 -0.926 10.371 -18.925 1.00 53.11 O ATOM 483 CB SER A 32 1.432 8.989 -17.346 1.00 42.35 C ATOM 484 OG SER A 32 1.079 7.972 -18.279 1.00 54.23 O ATOM 0 H SER A 32 2.637 10.988 -16.469 1.00 13.11 H new ATOM 0 HA SER A 32 1.669 10.385 -18.942 1.00 14.23 H new ATOM 0 HB2 SER A 32 2.467 8.851 -17.034 1.00 42.35 H new ATOM 0 HB3 SER A 32 0.815 8.891 -16.453 1.00 42.35 H new ATOM 0 HG SER A 32 0.347 7.433 -17.914 1.00 54.23 H new ATOM 490 N LEU A 33 -0.656 11.510 -16.991 1.00 1.43 N ATOM 491 CA LEU A 33 -2.042 11.939 -16.920 1.00 42.15 C ATOM 492 C LEU A 33 -2.296 13.011 -17.981 1.00 22.11 C ATOM 493 O LEU A 33 -3.120 12.822 -18.875 1.00 41.21 O ATOM 494 CB LEU A 33 -2.393 12.385 -15.498 1.00 54.32 C ATOM 495 CG LEU A 33 -3.196 11.387 -14.661 1.00 24.32 C ATOM 496 CD1 LEU A 33 -3.396 11.904 -13.235 1.00 0.12 C ATOM 497 CD2 LEU A 33 -4.525 11.048 -15.339 1.00 20.51 C ATOM 0 H LEU A 33 -0.070 11.831 -16.220 1.00 1.43 H new ATOM 0 HA LEU A 33 -2.710 11.107 -17.142 1.00 42.15 H new ATOM 0 HB2 LEU A 33 -1.466 12.609 -14.970 1.00 54.32 H new ATOM 0 HB3 LEU A 33 -2.958 13.315 -15.559 1.00 54.32 H new ATOM 0 HG LEU A 33 -2.625 10.461 -14.591 1.00 24.32 H new ATOM 0 HD11 LEU A 33 -3.970 11.176 -12.661 1.00 0.12 H new ATOM 0 HD12 LEU A 33 -2.425 12.054 -12.763 1.00 0.12 H new ATOM 0 HD13 LEU A 33 -3.936 12.850 -13.263 1.00 0.12 H new ATOM 0 HD21 LEU A 33 -5.076 10.337 -14.724 1.00 20.51 H new ATOM 0 HD22 LEU A 33 -5.114 11.957 -15.459 1.00 20.51 H new ATOM 0 HD23 LEU A 33 -4.332 10.608 -16.318 1.00 20.51 H new ATOM 509 N TRP A 34 -1.573 14.113 -17.847 1.00 13.43 N ATOM 510 CA TRP A 34 -1.709 15.216 -18.784 1.00 55.33 C ATOM 511 C TRP A 34 -0.402 15.331 -19.571 1.00 2.44 C ATOM 512 O TRP A 34 -0.405 15.256 -20.799 1.00 55.21 O ATOM 513 CB TRP A 34 -2.085 16.508 -18.058 1.00 64.42 C ATOM 514 CG TRP A 34 -0.997 17.037 -17.122 1.00 72.12 C ATOM 515 CD1 TRP A 34 -0.839 16.787 -15.816 1.00 1.21 C ATOM 516 CD2 TRP A 34 0.087 17.922 -17.478 1.00 2.02 C ATOM 517 NE1 TRP A 34 0.263 17.443 -15.304 1.00 14.14 N ATOM 518 CE2 TRP A 34 0.843 18.155 -16.348 1.00 2.23 C ATOM 519 CE3 TRP A 34 0.417 18.506 -18.713 1.00 34.11 C ATOM 520 CZ2 TRP A 34 1.978 18.975 -16.340 1.00 11.24 C ATOM 521 CZ3 TRP A 34 1.553 19.322 -18.690 1.00 5.33 C ATOM 522 CH2 TRP A 34 2.325 19.568 -17.560 1.00 61.01 C ATOM 0 H TRP A 34 -0.891 14.266 -17.104 1.00 13.43 H new ATOM 0 HA TRP A 34 -2.522 15.029 -19.485 1.00 55.33 H new ATOM 0 HB2 TRP A 34 -2.317 17.274 -18.798 1.00 64.42 H new ATOM 0 HB3 TRP A 34 -2.994 16.337 -17.481 1.00 64.42 H new ATOM 0 HD1 TRP A 34 -1.492 16.152 -15.236 1.00 1.21 H new ATOM 0 HE1 TRP A 34 0.591 17.411 -14.339 1.00 14.14 H new ATOM 0 HE3 TRP A 34 -0.161 18.338 -19.610 1.00 34.11 H new ATOM 0 HZ2 TRP A 34 2.554 19.141 -15.442 1.00 11.24 H new ATOM 0 HZ3 TRP A 34 1.851 19.794 -19.615 1.00 5.33 H new ATOM 0 HH2 TRP A 34 3.188 20.214 -17.623 1.00 61.01 H new ATOM 533 N ASN A 35 0.683 15.513 -18.832 1.00 1.05 N ATOM 534 CA ASN A 35 1.993 15.640 -19.447 1.00 45.42 C ATOM 535 C ASN A 35 1.904 16.597 -20.636 1.00 10.12 C ATOM 536 O ASN A 35 2.827 17.370 -20.887 1.00 74.23 O ATOM 537 CB ASN A 35 2.493 14.290 -19.962 1.00 35.15 C ATOM 538 CG ASN A 35 3.495 14.476 -21.104 1.00 71.14 C ATOM 539 OD1 ASN A 35 3.141 14.551 -22.269 1.00 24.11 O ATOM 540 ND2 ASN A 35 4.762 14.543 -20.706 1.00 3.43 N ATOM 0 H ASN A 35 0.681 15.575 -17.814 1.00 1.05 H new ATOM 0 HA ASN A 35 2.684 16.016 -18.692 1.00 45.42 H new ATOM 0 HB2 ASN A 35 2.962 13.737 -19.148 1.00 35.15 H new ATOM 0 HB3 ASN A 35 1.649 13.693 -20.308 1.00 35.15 H new ATOM 0 HD21 ASN A 35 5.507 14.664 -21.393 1.00 3.43 H new ATOM 0 HD22 ASN A 35 4.989 14.473 -19.714 1.00 3.43 H new TER 547 ASN A 35