USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 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 Set 1.1: A 7 THR OG1 : rot -84:sc= 0.825 USER MOD Set 1.2: A 8 GLN : amide:sc= 0.113 K(o=0.94,f=0.39) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 120:sc= 0.332 USER MOD Single : A 18 SER OG : rot 77:sc= 0.905 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.592 K(o=-0.59,f=-6.8!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= 0.071 X(o=0.071,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 1.28 (180deg=0.89) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0.474 (180deg=0.418) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 0.045 5.992 -1.810 1.00 0.00 N ATOM 38 CA ILE A 3 -1.072 5.233 -1.272 1.00 0.00 C ATOM 39 C ILE A 3 -1.855 4.595 -2.429 1.00 0.00 C ATOM 40 O ILE A 3 -2.311 3.457 -2.319 1.00 0.00 O ATOM 41 CB ILE A 3 -1.926 6.170 -0.380 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.664 5.756 1.075 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.433 6.109 -0.686 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.445 6.560 2.118 1.00 0.00 C ATOM 0 HA ILE A 3 -0.735 4.412 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.635 7.202 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.912 4.701 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.598 5.857 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.967 6.790 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.606 6.400 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.795 5.093 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.197 6.199 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.180 7.614 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.514 6.440 1.944 1.00 0.00 H new ATOM 56 N GLU A 4 -1.976 5.315 -3.553 1.00 0.00 N ATOM 57 CA GLU A 4 -2.624 4.808 -4.748 1.00 0.00 C ATOM 58 C GLU A 4 -1.860 3.616 -5.317 1.00 0.00 C ATOM 59 O GLU A 4 -2.439 2.548 -5.490 1.00 0.00 O ATOM 60 CB GLU A 4 -2.800 5.936 -5.776 1.00 0.00 C ATOM 61 CG GLU A 4 -3.888 5.618 -6.811 1.00 0.00 C ATOM 62 CD GLU A 4 -5.270 5.452 -6.185 1.00 0.00 C ATOM 63 OE1 GLU A 4 -5.802 4.345 -6.180 1.00 0.00 O ATOM 64 OE2 GLU A 4 -5.827 6.580 -5.658 1.00 0.00 O ATOM 0 H GLU A 4 -1.623 6.267 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.619 4.447 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.054 6.860 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.854 6.108 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.923 6.417 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.622 4.704 -7.341 1.00 0.00 H new ATOM 72 N ASP A 5 -0.558 3.778 -5.579 1.00 0.00 N ATOM 73 CA ASP A 5 0.265 2.700 -6.108 1.00 0.00 C ATOM 74 C ASP A 5 0.186 1.464 -5.213 1.00 0.00 C ATOM 75 O ASP A 5 0.037 0.354 -5.718 1.00 0.00 O ATOM 76 CB ASP A 5 1.709 3.181 -6.282 1.00 0.00 C ATOM 77 CG ASP A 5 2.583 2.116 -6.941 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.744 2.139 -8.159 1.00 0.00 O ATOM 79 OD2 ASP A 5 3.141 1.195 -6.106 1.00 0.00 O ATOM 0 H ASP A 5 -0.055 4.653 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.117 2.412 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.720 4.087 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.125 3.443 -5.309 1.00 0.00 H new ATOM 85 N PHE A 6 0.250 1.663 -3.891 1.00 0.00 N ATOM 86 CA PHE A 6 0.126 0.594 -2.917 1.00 0.00 C ATOM 87 C PHE A 6 -1.176 -0.189 -3.117 1.00 0.00 C ATOM 88 O PHE A 6 -1.136 -1.392 -3.376 1.00 0.00 O ATOM 89 CB PHE A 6 0.218 1.154 -1.490 1.00 0.00 C ATOM 90 CG PHE A 6 0.070 0.054 -0.464 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.173 -0.754 -0.129 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.137 -0.087 0.241 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.152 -1.499 1.059 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.163 -0.846 1.422 1.00 0.00 C ATOM 95 CZ PHE A 6 0.005 -1.487 1.867 1.00 0.00 C ATOM 0 H PHE A 6 0.391 2.583 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 6 0.954 -0.099 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.176 1.656 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.559 1.903 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.031 -0.800 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.038 0.385 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.015 -2.079 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.079 -0.937 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.020 -1.971 2.832 1.00 0.00 H new ATOM 105 N THR A 7 -2.326 0.487 -2.986 1.00 0.00 N ATOM 106 CA THR A 7 -3.637 -0.125 -3.036 1.00 0.00 C ATOM 107 C THR A 7 -3.868 -0.844 -4.362 1.00 0.00 C ATOM 108 O THR A 7 -4.325 -1.983 -4.358 1.00 0.00 O ATOM 109 CB THR A 7 -4.705 0.954 -2.824 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.507 2.068 -3.668 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.786 1.413 -1.368 1.00 0.00 C ATOM 0 H THR A 7 -2.358 1.496 -2.840 1.00 0.00 H new ATOM 0 HA THR A 7 -3.702 -0.871 -2.244 1.00 0.00 H new ATOM 0 HB THR A 7 -5.654 0.487 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.861 2.679 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.557 2.177 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.034 0.563 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.825 1.826 -1.063 1.00 0.00 H new ATOM 119 N GLN A 8 -3.569 -0.189 -5.488 1.00 0.00 N ATOM 120 CA GLN A 8 -3.817 -0.770 -6.800 1.00 0.00 C ATOM 121 C GLN A 8 -2.883 -1.952 -7.081 1.00 0.00 C ATOM 122 O GLN A 8 -3.309 -2.921 -7.706 1.00 0.00 O ATOM 123 CB GLN A 8 -3.732 0.297 -7.902 1.00 0.00 C ATOM 124 CG GLN A 8 -4.690 1.485 -7.709 1.00 0.00 C ATOM 125 CD GLN A 8 -6.099 1.069 -7.290 1.00 0.00 C ATOM 126 OE1 GLN A 8 -6.891 0.631 -8.120 1.00 0.00 O ATOM 127 NE2 GLN A 8 -6.413 1.203 -5.999 1.00 0.00 N ATOM 0 H GLN A 8 -3.155 0.743 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.834 -1.162 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.710 0.673 -7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.943 -0.172 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.278 2.155 -6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.748 2.050 -8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.725 1.571 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.341 0.937 -5.670 1.00 0.00 H new ATOM 136 N ALA A 9 -1.626 -1.895 -6.618 1.00 0.00 N ATOM 137 CA ALA A 9 -0.667 -2.969 -6.847 1.00 0.00 C ATOM 138 C ALA A 9 -1.032 -4.236 -6.071 1.00 0.00 C ATOM 139 O ALA A 9 -0.829 -5.337 -6.579 1.00 0.00 O ATOM 140 CB ALA A 9 0.740 -2.522 -6.440 1.00 0.00 C ATOM 0 H ALA A 9 -1.255 -1.111 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.693 -3.199 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.445 -3.334 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.031 -1.654 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.747 -2.259 -5.382 1.00 0.00 H new ATOM 146 N PHE A 10 -1.539 -4.088 -4.840 1.00 0.00 N ATOM 147 CA PHE A 10 -1.738 -5.210 -3.929 1.00 0.00 C ATOM 148 C PHE A 10 -3.187 -5.691 -3.972 1.00 0.00 C ATOM 149 O PHE A 10 -3.436 -6.894 -3.933 1.00 0.00 O ATOM 150 CB PHE A 10 -1.368 -4.787 -2.502 1.00 0.00 C ATOM 151 CG PHE A 10 -0.066 -5.376 -2.003 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.060 -6.762 -1.789 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.031 -4.529 -1.761 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.289 -7.299 -1.368 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.241 -5.062 -1.287 1.00 0.00 C ATOM 156 CZ PHE A 10 2.384 -6.449 -1.140 1.00 0.00 C ATOM 0 H PHE A 10 -1.820 -3.187 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.095 -6.032 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.302 -3.700 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.171 -5.083 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.787 -7.412 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.943 -3.468 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.391 -8.364 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.060 -4.404 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.338 -6.865 -0.851 1.00 0.00 H new ATOM 166 N GLY A 11 -4.134 -4.748 -3.999 1.00 0.00 N ATOM 167 CA GLY A 11 -5.553 -5.019 -3.851 1.00 0.00 C ATOM 168 C GLY A 11 -5.970 -5.023 -2.378 1.00 0.00 C ATOM 169 O GLY A 11 -6.917 -5.724 -2.024 1.00 0.00 O ATOM 0 H GLY A 11 -3.924 -3.758 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.127 -4.266 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.790 -5.983 -4.300 1.00 0.00 H new ATOM 173 N MET A 12 -5.262 -4.273 -1.519 1.00 0.00 N ATOM 174 CA MET A 12 -5.547 -4.188 -0.090 1.00 0.00 C ATOM 175 C MET A 12 -5.369 -2.760 0.418 1.00 0.00 C ATOM 176 O MET A 12 -4.625 -1.974 -0.163 1.00 0.00 O ATOM 177 CB MET A 12 -4.666 -5.173 0.691 1.00 0.00 C ATOM 178 CG MET A 12 -3.203 -4.731 0.839 1.00 0.00 C ATOM 179 SD MET A 12 -1.974 -6.069 0.915 1.00 0.00 S ATOM 180 CE MET A 12 -2.512 -7.011 2.366 1.00 0.00 C ATOM 0 H MET A 12 -4.466 -3.704 -1.808 1.00 0.00 H new ATOM 0 HA MET A 12 -6.589 -4.465 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.093 -5.315 1.684 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.692 -6.141 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.953 -4.081 0.000 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.115 -4.131 1.744 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.842 -7.857 2.520 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.492 -6.367 3.245 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.526 -7.377 2.207 1.00 0.00 H new ATOM 190 N THR A 13 -6.045 -2.444 1.528 1.00 0.00 N ATOM 191 CA THR A 13 -5.896 -1.176 2.229 1.00 0.00 C ATOM 192 C THR A 13 -4.553 -1.101 2.961 1.00 0.00 C ATOM 193 O THR A 13 -4.086 -2.105 3.500 1.00 0.00 O ATOM 194 CB THR A 13 -7.098 -0.899 3.165 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.677 -0.409 4.413 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.975 -2.116 3.487 1.00 0.00 C ATOM 0 H THR A 13 -6.718 -3.073 1.966 1.00 0.00 H new ATOM 0 HA THR A 13 -5.894 -0.380 1.484 1.00 0.00 H new ATOM 0 HB THR A 13 -7.682 -0.177 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.062 0.480 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.787 -1.814 4.149 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.390 -2.520 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.372 -2.880 3.978 1.00 0.00 H new ATOM 204 N PRO A 14 -3.943 0.096 3.020 1.00 0.00 N ATOM 205 CA PRO A 14 -2.763 0.345 3.824 1.00 0.00 C ATOM 206 C PRO A 14 -3.092 0.253 5.317 1.00 0.00 C ATOM 207 O PRO A 14 -2.176 0.054 6.109 1.00 0.00 O ATOM 208 CB PRO A 14 -2.281 1.742 3.431 1.00 0.00 C ATOM 209 CG PRO A 14 -3.571 2.453 3.034 1.00 0.00 C ATOM 210 CD PRO A 14 -4.410 1.336 2.417 1.00 0.00 C ATOM 0 HA PRO A 14 -1.985 -0.398 3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.782 2.244 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.570 1.706 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.066 2.899 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.385 3.257 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.470 1.490 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.289 1.312 1.334 1.00 0.00 H new ATOM 218 N ALA A 15 -4.371 0.368 5.712 1.00 0.00 N ATOM 219 CA ALA A 15 -4.758 0.179 7.107 1.00 0.00 C ATOM 220 C ALA A 15 -4.647 -1.300 7.484 1.00 0.00 C ATOM 221 O ALA A 15 -4.071 -1.631 8.519 1.00 0.00 O ATOM 222 CB ALA A 15 -6.166 0.723 7.369 1.00 0.00 C ATOM 0 H ALA A 15 -5.144 0.589 5.085 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.075 0.745 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.427 0.568 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.192 1.789 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.882 0.199 6.736 1.00 0.00 H new ATOM 228 N ALA A 16 -5.163 -2.191 6.625 1.00 0.00 N ATOM 229 CA ALA A 16 -5.001 -3.631 6.791 1.00 0.00 C ATOM 230 C ALA A 16 -3.521 -4.013 6.791 1.00 0.00 C ATOM 231 O ALA A 16 -3.099 -4.855 7.581 1.00 0.00 O ATOM 232 CB ALA A 16 -5.751 -4.385 5.689 1.00 0.00 C ATOM 0 H ALA A 16 -5.702 -1.928 5.800 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.426 -3.914 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.619 -5.458 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.812 -4.140 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.356 -4.094 4.716 1.00 0.00 H new ATOM 238 N PHE A 17 -2.732 -3.374 5.921 1.00 0.00 N ATOM 239 CA PHE A 17 -1.291 -3.557 5.876 1.00 0.00 C ATOM 240 C PHE A 17 -0.672 -3.174 7.225 1.00 0.00 C ATOM 241 O PHE A 17 0.072 -3.960 7.807 1.00 0.00 O ATOM 242 CB PHE A 17 -0.709 -2.741 4.709 1.00 0.00 C ATOM 243 CG PHE A 17 0.440 -3.391 3.967 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.306 -4.668 3.387 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.681 -2.733 3.918 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.407 -5.266 2.748 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.806 -3.387 3.397 1.00 0.00 C ATOM 248 CZ PHE A 17 2.657 -4.623 2.753 1.00 0.00 C ATOM 0 H PHE A 17 -3.084 -2.714 5.228 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.049 -4.605 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.509 -2.537 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.372 -1.779 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.640 -5.187 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.768 -1.720 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.292 -6.219 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.785 -2.940 3.491 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.502 -5.081 2.261 1.00 0.00 H new ATOM 258 N SER A 18 -1.021 -1.984 7.732 1.00 0.00 N ATOM 259 CA SER A 18 -0.522 -1.431 8.986 1.00 0.00 C ATOM 260 C SER A 18 -0.847 -2.325 10.182 1.00 0.00 C ATOM 261 O SER A 18 -0.064 -2.373 11.129 1.00 0.00 O ATOM 262 CB SER A 18 -1.056 -0.013 9.210 1.00 0.00 C ATOM 263 OG SER A 18 -0.525 0.864 8.240 1.00 0.00 O ATOM 0 H SER A 18 -1.680 -1.364 7.261 1.00 0.00 H new ATOM 0 HA SER A 18 0.564 -1.385 8.903 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.145 -0.013 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.788 0.331 10.209 1.00 0.00 H new ATOM 0 HG SER A 18 -0.989 0.728 7.387 1.00 0.00 H new ATOM 269 N ALA A 19 -1.986 -3.027 10.140 1.00 0.00 N ATOM 270 CA ALA A 19 -2.403 -3.941 11.195 1.00 0.00 C ATOM 271 C ALA A 19 -1.394 -5.074 11.417 1.00 0.00 C ATOM 272 O ALA A 19 -1.275 -5.561 12.540 1.00 0.00 O ATOM 273 CB ALA A 19 -3.793 -4.500 10.884 1.00 0.00 C ATOM 0 H ALA A 19 -2.645 -2.972 9.364 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.446 -3.374 12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.097 -5.182 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.508 -3.680 10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.766 -5.036 9.935 1.00 0.00 H new ATOM 279 N LEU A 20 -0.664 -5.495 10.372 1.00 0.00 N ATOM 280 CA LEU A 20 0.369 -6.518 10.525 1.00 0.00 C ATOM 281 C LEU A 20 1.591 -5.905 11.219 1.00 0.00 C ATOM 282 O LEU A 20 1.797 -4.698 11.105 1.00 0.00 O ATOM 283 CB LEU A 20 0.833 -7.072 9.165 1.00 0.00 C ATOM 284 CG LEU A 20 -0.248 -7.293 8.096 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.446 -7.629 6.771 1.00 0.00 C ATOM 286 CD2 LEU A 20 -1.208 -8.414 8.503 1.00 0.00 C ATOM 0 H LEU A 20 -0.773 -5.143 9.421 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.061 -7.330 11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.578 -6.389 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.335 -8.023 9.340 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.843 -6.386 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.305 -7.790 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.095 -6.803 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.042 -8.534 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.962 -8.547 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.651 -9.342 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.696 -8.152 9.442 1.00 0.00 H new ATOM 298 N PRO A 21 2.442 -6.699 11.892 1.00 0.00 N ATOM 299 CA PRO A 21 3.730 -6.220 12.367 1.00 0.00 C ATOM 300 C PRO A 21 4.538 -5.632 11.208 1.00 0.00 C ATOM 301 O PRO A 21 4.544 -6.177 10.103 1.00 0.00 O ATOM 302 CB PRO A 21 4.446 -7.420 12.991 1.00 0.00 C ATOM 303 CG PRO A 21 3.659 -8.634 12.497 1.00 0.00 C ATOM 304 CD PRO A 21 2.251 -8.086 12.271 1.00 0.00 C ATOM 0 HA PRO A 21 3.610 -5.426 13.104 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.489 -7.468 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.444 -7.362 14.079 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.083 -9.039 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.662 -9.439 13.232 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.733 -8.641 11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.646 -8.168 13.174 1.00 0.00 H new ATOM 312 N ARG A 22 5.192 -4.500 11.482 1.00 0.00 N ATOM 313 CA ARG A 22 5.872 -3.671 10.501 1.00 0.00 C ATOM 314 C ARG A 22 6.907 -4.457 9.691 1.00 0.00 C ATOM 315 O ARG A 22 7.070 -4.193 8.502 1.00 0.00 O ATOM 316 CB ARG A 22 6.513 -2.480 11.226 1.00 0.00 C ATOM 317 CG ARG A 22 7.051 -1.407 10.267 1.00 0.00 C ATOM 318 CD ARG A 22 6.276 -0.088 10.386 1.00 0.00 C ATOM 319 NE ARG A 22 4.875 -0.212 9.949 1.00 0.00 N ATOM 320 CZ ARG A 22 3.893 0.654 10.264 1.00 0.00 C ATOM 321 NH1 ARG A 22 4.123 1.693 11.079 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.667 0.487 9.754 1.00 0.00 N ATOM 0 H ARG A 22 5.261 -4.128 12.429 1.00 0.00 H new ATOM 0 HA ARG A 22 5.140 -3.311 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.777 -2.028 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.329 -2.840 11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.105 -1.228 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.989 -1.773 9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.301 0.251 11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.773 0.676 9.788 1.00 0.00 H new ATOM 0 HE ARG A 22 4.631 -1.012 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.053 1.837 11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.368 2.339 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.477 -0.295 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.922 1.142 9.992 1.00 0.00 H new ATOM 336 N TRP A 23 7.596 -5.422 10.312 1.00 0.00 N ATOM 337 CA TRP A 23 8.591 -6.218 9.604 1.00 0.00 C ATOM 338 C TRP A 23 7.935 -7.024 8.479 1.00 0.00 C ATOM 339 O TRP A 23 8.450 -7.059 7.362 1.00 0.00 O ATOM 340 CB TRP A 23 9.370 -7.105 10.587 1.00 0.00 C ATOM 341 CG TRP A 23 8.706 -8.395 10.969 1.00 0.00 C ATOM 342 CD1 TRP A 23 7.995 -8.607 12.096 1.00 0.00 C ATOM 343 CD2 TRP A 23 8.642 -9.649 10.219 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.441 -9.870 12.076 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.792 -10.550 10.926 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.163 -10.096 8.984 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.463 -11.819 10.427 1.00 0.00 C ATOM 348 CZ3 TRP A 23 8.841 -11.368 8.476 1.00 0.00 C ATOM 349 CH2 TRP A 23 7.989 -12.227 9.191 1.00 0.00 C ATOM 0 H TRP A 23 7.480 -5.665 11.296 1.00 0.00 H new ATOM 0 HA TRP A 23 9.314 -5.550 9.136 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.341 -7.334 10.149 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.557 -6.532 11.495 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.877 -7.892 12.897 1.00 0.00 H new ATOM 0 HE1 TRP A 23 6.849 -10.252 12.814 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.820 -9.450 8.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.813 -12.475 10.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.252 -11.687 7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.740 -13.199 8.791 1.00 0.00 H new ATOM 360 N LYS A 24 6.802 -7.668 8.785 1.00 0.00 N ATOM 361 CA LYS A 24 6.126 -8.597 7.896 1.00 0.00 C ATOM 362 C LYS A 24 5.554 -7.843 6.716 1.00 0.00 C ATOM 363 O LYS A 24 5.862 -8.136 5.568 1.00 0.00 O ATOM 364 CB LYS A 24 5.020 -9.328 8.665 1.00 0.00 C ATOM 365 CG LYS A 24 4.547 -10.564 7.891 1.00 0.00 C ATOM 366 CD LYS A 24 3.552 -11.397 8.706 1.00 0.00 C ATOM 367 CE LYS A 24 2.342 -10.561 9.134 1.00 0.00 C ATOM 368 NZ LYS A 24 1.281 -11.399 9.719 1.00 0.00 N ATOM 0 H LYS A 24 6.326 -7.549 9.679 1.00 0.00 H new ATOM 0 HA LYS A 24 6.835 -9.336 7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.389 -9.627 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.180 -8.654 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.081 -10.252 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.407 -11.180 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.217 -12.248 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.049 -11.799 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.656 -9.811 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.947 -10.024 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.478 -10.799 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.964 -12.098 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.651 -11.892 10.557 1.00 0.00 H new ATOM 382 N GLN A 25 4.737 -6.851 7.052 1.00 0.00 N ATOM 383 CA GLN A 25 4.188 -5.820 6.203 1.00 0.00 C ATOM 384 C GLN A 25 5.185 -5.394 5.124 1.00 0.00 C ATOM 385 O GLN A 25 4.891 -5.499 3.937 1.00 0.00 O ATOM 386 CB GLN A 25 3.856 -4.705 7.186 1.00 0.00 C ATOM 387 CG GLN A 25 3.084 -3.512 6.652 1.00 0.00 C ATOM 388 CD GLN A 25 2.871 -2.511 7.783 1.00 0.00 C ATOM 389 OE1 GLN A 25 3.061 -1.312 7.591 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.507 -2.991 8.977 1.00 0.00 N ATOM 0 H GLN A 25 4.418 -6.746 8.015 1.00 0.00 H new ATOM 0 HA GLN A 25 3.313 -6.139 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.283 -5.138 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.791 -4.339 7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.632 -3.045 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.124 -3.835 6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.358 -3.992 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.378 -2.356 9.764 1.00 0.00 H new ATOM 399 N GLN A 26 6.379 -4.944 5.526 1.00 0.00 N ATOM 400 CA GLN A 26 7.356 -4.426 4.600 1.00 0.00 C ATOM 401 C GLN A 26 7.954 -5.580 3.793 1.00 0.00 C ATOM 402 O GLN A 26 8.119 -5.448 2.584 1.00 0.00 O ATOM 403 CB GLN A 26 8.432 -3.665 5.389 1.00 0.00 C ATOM 404 CG GLN A 26 8.345 -2.194 5.002 1.00 0.00 C ATOM 405 CD GLN A 26 9.552 -1.394 5.484 1.00 0.00 C ATOM 406 OE1 GLN A 26 10.317 -0.871 4.677 1.00 0.00 O ATOM 407 NE2 GLN A 26 9.726 -1.301 6.804 1.00 0.00 N ATOM 0 H GLN A 26 6.681 -4.934 6.500 1.00 0.00 H new ATOM 0 HA GLN A 26 6.893 -3.734 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.277 -3.787 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.422 -4.061 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.266 -2.110 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.436 -1.764 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.066 -1.751 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.519 -0.780 7.178 1.00 0.00 H new ATOM 416 N ASN A 27 8.245 -6.713 4.450 1.00 0.00 N ATOM 417 CA ASN A 27 8.662 -7.950 3.806 1.00 0.00 C ATOM 418 C ASN A 27 7.714 -8.346 2.666 1.00 0.00 C ATOM 419 O ASN A 27 8.208 -8.809 1.645 1.00 0.00 O ATOM 420 CB ASN A 27 8.838 -9.068 4.850 1.00 0.00 C ATOM 421 CG ASN A 27 8.794 -10.464 4.233 1.00 0.00 C ATOM 422 OD1 ASN A 27 7.760 -11.128 4.270 1.00 0.00 O ATOM 423 ND2 ASN A 27 9.910 -10.905 3.657 1.00 0.00 N ATOM 0 H ASN A 27 8.193 -6.788 5.466 1.00 0.00 H new ATOM 0 HA ASN A 27 9.634 -7.785 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.790 -8.933 5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.054 -8.983 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.930 -11.828 3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.746 -10.320 3.649 1.00 0.00 H new ATOM 430 N LEU A 28 6.391 -8.150 2.794 1.00 0.00 N ATOM 431 CA LEU A 28 5.457 -8.435 1.703 1.00 0.00 C ATOM 432 C LEU A 28 5.830 -7.606 0.473 1.00 0.00 C ATOM 433 O LEU A 28 6.062 -8.145 -0.605 1.00 0.00 O ATOM 434 CB LEU A 28 3.989 -8.130 2.070 1.00 0.00 C ATOM 435 CG LEU A 28 3.467 -8.603 3.431 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.975 -8.308 3.585 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.698 -10.089 3.634 1.00 0.00 C ATOM 0 H LEU A 28 5.949 -7.796 3.642 1.00 0.00 H new ATOM 0 HA LEU A 28 5.536 -9.503 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.851 -7.050 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.355 -8.570 1.300 1.00 0.00 H new ATOM 0 HG LEU A 28 4.026 -8.051 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.634 -8.655 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.806 -7.234 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.419 -8.824 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.315 -10.387 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.180 -10.648 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.766 -10.301 3.583 1.00 0.00 H new ATOM 449 N LYS A 29 5.873 -6.282 0.654 1.00 0.00 N ATOM 450 CA LYS A 29 6.112 -5.308 -0.398 1.00 0.00 C ATOM 451 C LYS A 29 7.488 -5.503 -1.047 1.00 0.00 C ATOM 452 O LYS A 29 7.635 -5.339 -2.258 1.00 0.00 O ATOM 453 CB LYS A 29 5.929 -3.911 0.213 1.00 0.00 C ATOM 454 CG LYS A 29 6.005 -2.813 -0.847 1.00 0.00 C ATOM 455 CD LYS A 29 5.312 -1.521 -0.399 1.00 0.00 C ATOM 456 CE LYS A 29 5.939 -0.868 0.839 1.00 0.00 C ATOM 457 NZ LYS A 29 7.359 -0.536 0.634 1.00 0.00 N ATOM 0 H LYS A 29 5.737 -5.852 1.569 1.00 0.00 H new ATOM 0 HA LYS A 29 5.398 -5.439 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.966 -3.860 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.697 -3.741 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.050 -2.602 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.544 -3.169 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.332 -0.807 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.264 -1.737 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.388 0.039 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.844 -1.542 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.646 0.196 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.939 -1.388 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.496 -0.181 -0.334 1.00 0.00 H new ATOM 471 N LYS A 30 8.484 -5.868 -0.234 1.00 0.00 N ATOM 472 CA LYS A 30 9.854 -6.112 -0.649 1.00 0.00 C ATOM 473 C LYS A 30 9.969 -7.413 -1.446 1.00 0.00 C ATOM 474 O LYS A 30 10.472 -7.396 -2.568 1.00 0.00 O ATOM 475 CB LYS A 30 10.748 -6.143 0.599 1.00 0.00 C ATOM 476 CG LYS A 30 10.954 -4.731 1.160 1.00 0.00 C ATOM 477 CD LYS A 30 11.676 -4.800 2.511 1.00 0.00 C ATOM 478 CE LYS A 30 11.748 -3.424 3.181 1.00 0.00 C ATOM 479 NZ LYS A 30 12.606 -2.481 2.443 1.00 0.00 N ATOM 0 H LYS A 30 8.345 -6.005 0.767 1.00 0.00 H new ATOM 0 HA LYS A 30 10.181 -5.309 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.295 -6.778 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.713 -6.584 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.536 -4.134 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.991 -4.234 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.156 -5.498 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.684 -5.188 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.743 -3.009 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.128 -3.537 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.621 -1.566 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.573 -2.861 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.231 -2.349 1.482 1.00 0.00 H new ATOM 493 N GLU A 31 9.522 -8.537 -0.870 1.00 0.00 N ATOM 494 CA GLU A 31 9.674 -9.866 -1.457 1.00 0.00 C ATOM 495 C GLU A 31 8.824 -10.031 -2.720 1.00 0.00 C ATOM 496 O GLU A 31 9.212 -10.761 -3.629 1.00 0.00 O ATOM 497 CB GLU A 31 9.395 -10.948 -0.402 1.00 0.00 C ATOM 498 CG GLU A 31 7.911 -11.260 -0.165 1.00 0.00 C ATOM 499 CD GLU A 31 7.704 -12.029 1.140 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.622 -12.701 1.607 1.00 0.00 O ATOM 501 OE2 GLU A 31 6.479 -11.896 1.723 1.00 0.00 O ATOM 0 H GLU A 31 9.039 -8.544 0.028 1.00 0.00 H new ATOM 0 HA GLU A 31 10.708 -9.986 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.899 -11.866 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.840 -10.635 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.342 -10.330 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.523 -11.845 -0.999 1.00 0.00 H new ATOM 509 N LYS A 32 7.696 -9.315 -2.795 1.00 0.00 N ATOM 510 CA LYS A 32 6.890 -9.196 -4.002 1.00 0.00 C ATOM 511 C LYS A 32 7.669 -8.504 -5.125 1.00 0.00 C ATOM 512 O LYS A 32 7.405 -8.761 -6.299 1.00 0.00 O ATOM 513 CB LYS A 32 5.619 -8.411 -3.656 1.00 0.00 C ATOM 514 CG LYS A 32 4.658 -8.277 -4.840 1.00 0.00 C ATOM 515 CD LYS A 32 3.379 -7.594 -4.360 1.00 0.00 C ATOM 516 CE LYS A 32 2.461 -7.274 -5.539 1.00 0.00 C ATOM 517 NZ LYS A 32 1.231 -6.618 -5.074 1.00 0.00 N ATOM 0 H LYS A 32 7.317 -8.796 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 32 6.627 -10.190 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.105 -8.907 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.897 -7.417 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.120 -7.695 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.429 -9.259 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.859 -8.241 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.629 -6.676 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.980 -6.626 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.211 -8.192 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.700 -6.257 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.646 -7.304 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.476 -5.827 -4.444 1.00 0.00 H new ATOM 531 N GLY A 33 8.610 -7.618 -4.775 1.00 0.00 N ATOM 532 CA GLY A 33 9.342 -6.808 -5.733 1.00 0.00 C ATOM 533 C GLY A 33 8.575 -5.536 -6.095 1.00 0.00 C ATOM 534 O GLY A 33 8.870 -4.919 -7.117 1.00 0.00 O ATOM 0 H GLY A 33 8.881 -7.448 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.314 -6.542 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.529 -7.390 -6.635 1.00 0.00 H new ATOM 538 N LEU A 34 7.580 -5.156 -5.280 1.00 0.00 N ATOM 539 CA LEU A 34 6.762 -3.976 -5.507 1.00 0.00 C ATOM 540 C LEU A 34 7.544 -2.743 -5.060 1.00 0.00 C ATOM 541 O LEU A 34 7.830 -1.866 -5.872 1.00 0.00 O ATOM 542 CB LEU A 34 5.431 -4.129 -4.754 1.00 0.00 C ATOM 543 CG LEU A 34 4.552 -2.869 -4.808 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.165 -2.544 -6.248 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.282 -3.073 -3.980 1.00 0.00 C ATOM 0 H LEU A 34 7.325 -5.672 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 34 6.527 -3.859 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.877 -4.968 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.637 -4.375 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 34 5.126 -2.039 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.543 -1.649 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.066 -2.371 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.609 -3.380 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.669 -2.173 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.719 -3.917 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.552 -3.274 -2.943 1.00 0.00 H new ATOM 557 N PHE A 35 7.878 -2.710 -3.763 1.00 0.00 N ATOM 558 CA PHE A 35 8.665 -1.684 -3.081 1.00 0.00 C ATOM 559 C PHE A 35 7.846 -0.419 -2.810 1.00 0.00 C ATOM 560 O PHE A 35 8.218 0.292 -1.849 1.00 0.00 O ATOM 561 CB PHE A 35 9.965 -1.362 -3.832 1.00 0.00 C ATOM 562 CG PHE A 35 10.821 -2.578 -4.136 1.00 0.00 C ATOM 563 CD1 PHE A 35 11.412 -3.301 -3.082 1.00 0.00 C ATOM 564 CD2 PHE A 35 11.025 -2.991 -5.466 1.00 0.00 C ATOM 565 CE1 PHE A 35 12.197 -4.435 -3.356 1.00 0.00 C ATOM 566 CE2 PHE A 35 11.821 -4.116 -5.740 1.00 0.00 C ATOM 567 CZ PHE A 35 12.409 -4.838 -4.685 1.00 0.00 C ATOM 568 OXT PHE A 35 6.850 -0.188 -3.529 1.00 0.00 O ATOM 0 H PHE A 35 7.585 -3.449 -3.124 1.00 0.00 H new ATOM 0 HA PHE A 35 8.947 -2.099 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.717 -0.862 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.550 -0.658 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.262 -2.984 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.569 -2.442 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.637 -4.996 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.982 -4.427 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.023 -5.701 -4.897 1.00 0.00 H new