USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=6 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 26 GLN : amide:sc= 0.993 K(o=3,f=-8.4!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -156:sc= 2.05 (180deg=0.465) USER MOD Single : A 7 THR OG1 : rot -85:sc= 0.671 USER MOD Single : A 8 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.1!) USER MOD Single : A 12 MET CE :methyl 162:sc= 0 (180deg=-0.649) USER MOD Single : A 13 THR OG1 : rot 130:sc= 0.186 USER MOD Single : A 18 SER OG : rot -50:sc= 0.842 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.582 K(o=-0.58,f=-3.4!) USER MOD Single : A 27 ASN : amide:sc= -0.0961 X(o=-0.096,f=0.12) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0.642 (180deg=0.641) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 0.416 6.102 -1.834 1.00 0.00 N ATOM 38 CA ILE A 3 -0.711 5.302 -1.377 1.00 0.00 C ATOM 39 C ILE A 3 -1.457 4.691 -2.574 1.00 0.00 C ATOM 40 O ILE A 3 -1.952 3.568 -2.490 1.00 0.00 O ATOM 41 CB ILE A 3 -1.605 6.180 -0.466 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.420 5.669 0.970 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.094 6.165 -0.856 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.246 6.415 2.021 1.00 0.00 C ATOM 0 HA ILE A 3 -0.371 4.454 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.296 7.220 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.683 4.612 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.365 5.743 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.655 6.802 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.207 6.536 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.475 5.146 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.053 5.988 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.968 7.469 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.306 6.320 1.785 1.00 0.00 H new ATOM 56 N GLU A 4 -1.517 5.416 -3.697 1.00 0.00 N ATOM 57 CA GLU A 4 -2.154 4.942 -4.914 1.00 0.00 C ATOM 58 C GLU A 4 -1.400 3.730 -5.455 1.00 0.00 C ATOM 59 O GLU A 4 -2.007 2.694 -5.722 1.00 0.00 O ATOM 60 CB GLU A 4 -2.184 6.073 -5.951 1.00 0.00 C ATOM 61 CG GLU A 4 -3.345 7.034 -5.674 1.00 0.00 C ATOM 62 CD GLU A 4 -3.359 8.184 -6.675 1.00 0.00 C ATOM 63 OE1 GLU A 4 -2.980 9.297 -6.322 1.00 0.00 O ATOM 64 OE2 GLU A 4 -3.804 7.880 -7.928 1.00 0.00 O ATOM 0 H GLU A 4 -1.120 6.352 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.179 4.640 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.241 6.619 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.285 5.653 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.289 6.492 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.259 7.430 -4.662 1.00 0.00 H new ATOM 72 N ASP A 5 -0.075 3.855 -5.601 1.00 0.00 N ATOM 73 CA ASP A 5 0.770 2.774 -6.087 1.00 0.00 C ATOM 74 C ASP A 5 0.727 1.568 -5.150 1.00 0.00 C ATOM 75 O ASP A 5 0.735 0.432 -5.619 1.00 0.00 O ATOM 76 CB ASP A 5 2.201 3.283 -6.265 1.00 0.00 C ATOM 77 CG ASP A 5 3.114 2.229 -6.886 1.00 0.00 C ATOM 78 OD1 ASP A 5 4.171 1.941 -6.331 1.00 0.00 O ATOM 79 OD2 ASP A 5 2.678 1.667 -8.050 1.00 0.00 O ATOM 0 H ASP A 5 0.435 4.711 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 5 0.390 2.441 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.193 4.172 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.601 3.583 -5.297 1.00 0.00 H new ATOM 85 N PHE A 6 0.664 1.818 -3.836 1.00 0.00 N ATOM 86 CA PHE A 6 0.503 0.770 -2.839 1.00 0.00 C ATOM 87 C PHE A 6 -0.752 -0.050 -3.140 1.00 0.00 C ATOM 88 O PHE A 6 -0.652 -1.240 -3.433 1.00 0.00 O ATOM 89 CB PHE A 6 0.433 1.350 -1.417 1.00 0.00 C ATOM 90 CG PHE A 6 0.218 0.266 -0.383 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.280 -0.569 0.007 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.027 0.155 0.259 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.173 -1.338 1.178 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.146 -0.646 1.405 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.029 -1.338 1.902 1.00 0.00 C ATOM 0 H PHE A 6 0.724 2.756 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 6 1.377 0.121 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.356 1.886 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.379 2.075 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.177 -0.619 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.887 0.683 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.012 -1.926 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.099 -0.731 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.095 -1.869 2.840 1.00 0.00 H new ATOM 105 N THR A 7 -1.924 0.591 -3.053 1.00 0.00 N ATOM 106 CA THR A 7 -3.219 -0.046 -3.141 1.00 0.00 C ATOM 107 C THR A 7 -3.382 -0.813 -4.452 1.00 0.00 C ATOM 108 O THR A 7 -3.756 -1.983 -4.420 1.00 0.00 O ATOM 109 CB THR A 7 -4.306 1.025 -2.980 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.079 2.131 -3.829 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.433 1.514 -1.535 1.00 0.00 C ATOM 0 H THR A 7 -1.986 1.600 -2.915 1.00 0.00 H new ATOM 0 HA THR A 7 -3.312 -0.781 -2.341 1.00 0.00 H new ATOM 0 HB THR A 7 -5.242 0.544 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.459 2.754 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.215 2.271 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.689 0.675 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.485 1.945 -1.212 1.00 0.00 H new ATOM 119 N GLN A 8 -3.105 -0.176 -5.597 1.00 0.00 N ATOM 120 CA GLN A 8 -3.325 -0.798 -6.900 1.00 0.00 C ATOM 121 C GLN A 8 -2.466 -2.054 -7.093 1.00 0.00 C ATOM 122 O GLN A 8 -2.890 -2.981 -7.780 1.00 0.00 O ATOM 123 CB GLN A 8 -3.132 0.235 -8.022 1.00 0.00 C ATOM 124 CG GLN A 8 -1.681 0.695 -8.230 1.00 0.00 C ATOM 125 CD GLN A 8 -0.837 -0.232 -9.108 1.00 0.00 C ATOM 126 OE1 GLN A 8 -1.354 -1.107 -9.796 1.00 0.00 O ATOM 127 NE2 GLN A 8 0.482 -0.032 -9.092 1.00 0.00 N ATOM 0 H GLN A 8 -2.728 0.771 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.358 -1.143 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.501 -0.190 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.747 1.108 -7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.690 1.689 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.200 0.788 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.879 0.704 -8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.093 -0.615 -9.663 1.00 0.00 H new ATOM 136 N ALA A 9 -1.277 -2.097 -6.477 1.00 0.00 N ATOM 137 CA ALA A 9 -0.334 -3.201 -6.607 1.00 0.00 C ATOM 138 C ALA A 9 -0.556 -4.301 -5.560 1.00 0.00 C ATOM 139 O ALA A 9 0.205 -5.270 -5.538 1.00 0.00 O ATOM 140 CB ALA A 9 1.091 -2.645 -6.515 1.00 0.00 C ATOM 0 H ALA A 9 -0.944 -1.351 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.495 -3.672 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.807 -3.461 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.253 -1.924 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.228 -2.153 -5.552 1.00 0.00 H new ATOM 146 N PHE A 10 -1.573 -4.166 -4.694 1.00 0.00 N ATOM 147 CA PHE A 10 -1.834 -5.088 -3.593 1.00 0.00 C ATOM 148 C PHE A 10 -3.256 -5.636 -3.640 1.00 0.00 C ATOM 149 O PHE A 10 -3.468 -6.821 -3.390 1.00 0.00 O ATOM 150 CB PHE A 10 -1.615 -4.369 -2.251 1.00 0.00 C ATOM 151 CG PHE A 10 -0.426 -4.894 -1.481 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.529 -6.105 -0.773 1.00 0.00 C ATOM 153 CD2 PHE A 10 0.788 -4.187 -1.495 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.590 -6.621 -0.099 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.902 -4.698 -0.810 1.00 0.00 C ATOM 156 CZ PHE A 10 1.807 -5.919 -0.124 1.00 0.00 C ATOM 0 H PHE A 10 -2.244 -3.399 -4.746 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.142 -5.925 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.478 -3.303 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.511 -4.474 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.468 -6.638 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.864 -3.253 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.515 -7.555 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.833 -4.151 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.671 -6.320 0.386 1.00 0.00 H new ATOM 166 N GLY A 11 -4.230 -4.761 -3.904 1.00 0.00 N ATOM 167 CA GLY A 11 -5.641 -5.077 -3.752 1.00 0.00 C ATOM 168 C GLY A 11 -6.031 -5.051 -2.270 1.00 0.00 C ATOM 169 O GLY A 11 -6.950 -5.760 -1.865 1.00 0.00 O ATOM 0 H GLY A 11 -4.055 -3.811 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.244 -4.359 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.849 -6.061 -4.173 1.00 0.00 H new ATOM 173 N MET A 12 -5.312 -4.256 -1.462 1.00 0.00 N ATOM 174 CA MET A 12 -5.508 -4.109 -0.027 1.00 0.00 C ATOM 175 C MET A 12 -5.283 -2.649 0.351 1.00 0.00 C ATOM 176 O MET A 12 -4.674 -1.882 -0.393 1.00 0.00 O ATOM 177 CB MET A 12 -4.546 -5.036 0.730 1.00 0.00 C ATOM 178 CG MET A 12 -4.692 -5.059 2.255 1.00 0.00 C ATOM 179 SD MET A 12 -3.921 -6.459 3.126 1.00 0.00 S ATOM 180 CE MET A 12 -2.359 -6.676 2.228 1.00 0.00 C ATOM 0 H MET A 12 -4.549 -3.678 -1.814 1.00 0.00 H new ATOM 0 HA MET A 12 -6.524 -4.392 0.247 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.683 -6.051 0.357 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.525 -4.742 0.488 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.269 -4.136 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.755 -5.052 2.496 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.669 -7.261 2.835 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.548 -7.197 1.289 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.921 -5.700 2.019 1.00 0.00 H new ATOM 190 N THR A 13 -5.793 -2.297 1.529 1.00 0.00 N ATOM 191 CA THR A 13 -5.730 -0.970 2.124 1.00 0.00 C ATOM 192 C THR A 13 -4.509 -0.829 3.031 1.00 0.00 C ATOM 193 O THR A 13 -4.128 -1.791 3.695 1.00 0.00 O ATOM 194 CB THR A 13 -7.052 -0.619 2.848 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.824 0.003 4.085 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.959 -1.816 3.157 1.00 0.00 C ATOM 0 H THR A 13 -6.285 -2.965 2.122 1.00 0.00 H new ATOM 0 HA THR A 13 -5.609 -0.242 1.322 1.00 0.00 H new ATOM 0 HB THR A 13 -7.547 0.037 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.361 0.820 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.859 -1.469 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.235 -2.313 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.428 -2.518 3.800 1.00 0.00 H new ATOM 204 N PRO A 14 -3.913 0.373 3.102 1.00 0.00 N ATOM 205 CA PRO A 14 -2.871 0.676 4.064 1.00 0.00 C ATOM 206 C PRO A 14 -3.407 0.587 5.497 1.00 0.00 C ATOM 207 O PRO A 14 -2.619 0.368 6.416 1.00 0.00 O ATOM 208 CB PRO A 14 -2.376 2.080 3.712 1.00 0.00 C ATOM 209 CG PRO A 14 -3.593 2.735 3.067 1.00 0.00 C ATOM 210 CD PRO A 14 -4.290 1.570 2.364 1.00 0.00 C ATOM 0 HA PRO A 14 -2.051 -0.041 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.050 2.624 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.528 2.047 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.240 3.201 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.304 3.515 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.372 1.705 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.978 1.500 1.322 1.00 0.00 H new ATOM 218 N ALA A 15 -4.730 0.714 5.702 1.00 0.00 N ATOM 219 CA ALA A 15 -5.321 0.540 7.025 1.00 0.00 C ATOM 220 C ALA A 15 -5.232 -0.926 7.453 1.00 0.00 C ATOM 221 O ALA A 15 -4.806 -1.213 8.571 1.00 0.00 O ATOM 222 CB ALA A 15 -6.764 1.050 7.061 1.00 0.00 C ATOM 0 H ALA A 15 -5.401 0.936 4.967 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.754 1.138 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.176 0.906 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.781 2.111 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.364 0.497 6.338 1.00 0.00 H new ATOM 228 N ALA A 16 -5.591 -1.857 6.558 1.00 0.00 N ATOM 229 CA ALA A 16 -5.389 -3.285 6.789 1.00 0.00 C ATOM 230 C ALA A 16 -3.909 -3.582 7.023 1.00 0.00 C ATOM 231 O ALA A 16 -3.555 -4.323 7.938 1.00 0.00 O ATOM 232 CB ALA A 16 -5.904 -4.097 5.594 1.00 0.00 C ATOM 0 H ALA A 16 -6.026 -1.639 5.662 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.950 -3.573 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.747 -5.159 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.968 -3.907 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.364 -3.803 4.694 1.00 0.00 H new ATOM 238 N PHE A 17 -3.052 -2.991 6.186 1.00 0.00 N ATOM 239 CA PHE A 17 -1.617 -3.213 6.192 1.00 0.00 C ATOM 240 C PHE A 17 -0.987 -2.823 7.530 1.00 0.00 C ATOM 241 O PHE A 17 -0.166 -3.566 8.060 1.00 0.00 O ATOM 242 CB PHE A 17 -0.997 -2.425 5.027 1.00 0.00 C ATOM 243 CG PHE A 17 0.158 -3.095 4.323 1.00 0.00 C ATOM 244 CD1 PHE A 17 -0.014 -4.392 3.810 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.369 -2.412 4.109 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.995 -4.982 3.039 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.409 -3.037 3.399 1.00 0.00 C ATOM 248 CZ PHE A 17 2.219 -4.323 2.865 1.00 0.00 C ATOM 0 H PHE A 17 -3.352 -2.329 5.470 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.417 -4.277 6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.778 -2.223 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.658 -1.461 5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.926 -4.935 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.500 -1.410 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.830 -5.945 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.353 -2.530 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.018 -4.804 2.320 1.00 0.00 H new ATOM 258 N SER A 18 -1.383 -1.662 8.068 1.00 0.00 N ATOM 259 CA SER A 18 -0.798 -1.047 9.253 1.00 0.00 C ATOM 260 C SER A 18 -0.909 -1.946 10.483 1.00 0.00 C ATOM 261 O SER A 18 -0.043 -1.893 11.355 1.00 0.00 O ATOM 262 CB SER A 18 -1.421 0.330 9.509 1.00 0.00 C ATOM 263 OG SER A 18 -2.786 0.225 9.846 1.00 0.00 O ATOM 0 H SER A 18 -2.145 -1.112 7.672 1.00 0.00 H new ATOM 0 HA SER A 18 0.266 -0.911 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.884 0.829 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.311 0.951 8.620 1.00 0.00 H new ATOM 0 HG SER A 18 -3.242 -0.343 9.191 1.00 0.00 H new ATOM 269 N ALA A 19 -1.960 -2.776 10.540 1.00 0.00 N ATOM 270 CA ALA A 19 -2.194 -3.716 11.623 1.00 0.00 C ATOM 271 C ALA A 19 -1.031 -4.694 11.811 1.00 0.00 C ATOM 272 O ALA A 19 -0.808 -5.153 12.931 1.00 0.00 O ATOM 273 CB ALA A 19 -3.496 -4.478 11.362 1.00 0.00 C ATOM 0 H ALA A 19 -2.679 -2.806 9.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.276 -3.145 12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.673 -5.184 12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.325 -3.773 11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.417 -5.021 10.420 1.00 0.00 H new ATOM 279 N LEU A 20 -0.295 -5.028 10.740 1.00 0.00 N ATOM 280 CA LEU A 20 0.794 -6.000 10.843 1.00 0.00 C ATOM 281 C LEU A 20 2.037 -5.340 11.451 1.00 0.00 C ATOM 282 O LEU A 20 2.208 -4.133 11.301 1.00 0.00 O ATOM 283 CB LEU A 20 1.181 -6.577 9.470 1.00 0.00 C ATOM 284 CG LEU A 20 0.022 -6.907 8.517 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.615 -7.277 7.153 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.840 -8.052 9.058 1.00 0.00 C ATOM 0 H LEU A 20 -0.434 -4.643 9.806 1.00 0.00 H new ATOM 0 HA LEU A 20 0.436 -6.809 11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.840 -5.865 8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.760 -7.486 9.632 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.628 -6.037 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.191 -7.516 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.190 -6.436 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.268 -8.143 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.650 -8.259 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.226 -8.945 9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.258 -7.768 10.024 1.00 0.00 H new ATOM 298 N PRO A 21 2.944 -6.098 12.094 1.00 0.00 N ATOM 299 CA PRO A 21 4.247 -5.584 12.485 1.00 0.00 C ATOM 300 C PRO A 21 5.006 -5.056 11.268 1.00 0.00 C ATOM 301 O PRO A 21 4.940 -5.639 10.186 1.00 0.00 O ATOM 302 CB PRO A 21 5.008 -6.746 13.128 1.00 0.00 C ATOM 303 CG PRO A 21 4.211 -7.991 12.736 1.00 0.00 C ATOM 304 CD PRO A 21 2.789 -7.470 12.543 1.00 0.00 C ATOM 0 HA PRO A 21 4.141 -4.754 13.183 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.033 -6.800 12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.062 -6.634 14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.599 -8.442 11.823 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.255 -8.755 13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.248 -8.066 11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.222 -7.518 13.473 1.00 0.00 H new ATOM 312 N ARG A 22 5.726 -3.949 11.478 1.00 0.00 N ATOM 313 CA ARG A 22 6.475 -3.222 10.466 1.00 0.00 C ATOM 314 C ARG A 22 7.351 -4.139 9.620 1.00 0.00 C ATOM 315 O ARG A 22 7.338 -4.028 8.396 1.00 0.00 O ATOM 316 CB ARG A 22 7.310 -2.143 11.163 1.00 0.00 C ATOM 317 CG ARG A 22 8.220 -1.342 10.220 1.00 0.00 C ATOM 318 CD ARG A 22 7.499 -0.713 9.022 1.00 0.00 C ATOM 319 NE ARG A 22 6.263 -0.028 9.425 1.00 0.00 N ATOM 320 CZ ARG A 22 5.147 0.054 8.681 1.00 0.00 C ATOM 321 NH1 ARG A 22 5.136 -0.353 7.403 1.00 0.00 N ATOM 322 NH2 ARG A 22 4.023 0.540 9.223 1.00 0.00 N ATOM 0 H ARG A 22 5.801 -3.522 12.401 1.00 0.00 H new ATOM 0 HA ARG A 22 5.772 -2.760 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.638 -1.453 11.674 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.925 -2.615 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.707 -0.551 10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.007 -1.999 9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.164 -0.003 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.264 -1.488 8.292 1.00 0.00 H new ATOM 0 HE ARG A 22 6.251 0.420 10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.984 -0.732 6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.280 -0.283 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.017 0.846 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.173 0.604 8.663 1.00 0.00 H new ATOM 336 N TRP A 23 8.112 -5.035 10.260 1.00 0.00 N ATOM 337 CA TRP A 23 9.045 -5.893 9.540 1.00 0.00 C ATOM 338 C TRP A 23 8.311 -6.707 8.474 1.00 0.00 C ATOM 339 O TRP A 23 8.768 -6.801 7.336 1.00 0.00 O ATOM 340 CB TRP A 23 9.827 -6.781 10.519 1.00 0.00 C ATOM 341 CG TRP A 23 9.121 -8.027 10.970 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.437 -8.161 12.125 1.00 0.00 C ATOM 343 CD2 TRP A 23 8.975 -9.305 10.275 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.842 -9.404 12.182 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.127 -10.145 11.053 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.424 -9.818 9.036 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.740 -11.424 10.626 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.039 -11.098 8.597 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.197 -11.900 9.387 1.00 0.00 C ATOM 0 H TRP A 23 8.097 -5.180 11.269 1.00 0.00 H new ATOM 0 HA TRP A 23 9.774 -5.270 9.022 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.768 -7.068 10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.078 -6.188 11.399 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.366 -7.405 12.893 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.266 -9.733 12.957 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.073 -9.217 8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.098 -12.035 11.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.393 -11.467 7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.902 -12.880 9.042 1.00 0.00 H new ATOM 360 N LYS A 24 7.160 -7.273 8.855 1.00 0.00 N ATOM 361 CA LYS A 24 6.382 -8.144 8.002 1.00 0.00 C ATOM 362 C LYS A 24 5.802 -7.331 6.866 1.00 0.00 C ATOM 363 O LYS A 24 6.091 -7.593 5.705 1.00 0.00 O ATOM 364 CB LYS A 24 5.282 -8.829 8.824 1.00 0.00 C ATOM 365 CG LYS A 24 4.753 -10.068 8.096 1.00 0.00 C ATOM 366 CD LYS A 24 3.842 -10.913 8.993 1.00 0.00 C ATOM 367 CE LYS A 24 2.659 -10.098 9.523 1.00 0.00 C ATOM 368 NZ LYS A 24 1.697 -10.946 10.249 1.00 0.00 N ATOM 0 H LYS A 24 6.748 -7.130 9.777 1.00 0.00 H new ATOM 0 HA LYS A 24 7.015 -8.925 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.675 -9.115 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.465 -8.129 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.202 -9.759 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.592 -10.675 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.471 -11.770 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.418 -11.306 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.025 -9.313 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.155 -9.605 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.909 -10.361 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.330 -11.680 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.172 -11.397 11.057 1.00 0.00 H new ATOM 382 N GLN A 25 5.012 -6.329 7.248 1.00 0.00 N ATOM 383 CA GLN A 25 4.359 -5.348 6.411 1.00 0.00 C ATOM 384 C GLN A 25 5.257 -4.909 5.257 1.00 0.00 C ATOM 385 O GLN A 25 4.863 -4.997 4.097 1.00 0.00 O ATOM 386 CB GLN A 25 3.988 -4.190 7.339 1.00 0.00 C ATOM 387 CG GLN A 25 2.946 -3.248 6.750 1.00 0.00 C ATOM 388 CD GLN A 25 2.514 -2.182 7.754 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.354 -1.019 7.388 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.336 -2.561 9.022 1.00 0.00 N ATOM 0 H GLN A 25 4.801 -6.178 8.234 1.00 0.00 H new ATOM 0 HA GLN A 25 3.469 -5.756 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.611 -4.594 8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.888 -3.622 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.353 -2.766 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.076 -3.822 6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.478 -3.535 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.058 -1.876 9.725 1.00 0.00 H new ATOM 399 N GLN A 26 6.481 -4.467 5.566 1.00 0.00 N ATOM 400 CA GLN A 26 7.389 -3.962 4.556 1.00 0.00 C ATOM 401 C GLN A 26 7.969 -5.113 3.731 1.00 0.00 C ATOM 402 O GLN A 26 8.102 -4.973 2.519 1.00 0.00 O ATOM 403 CB GLN A 26 8.466 -3.104 5.236 1.00 0.00 C ATOM 404 CG GLN A 26 8.480 -1.668 4.695 1.00 0.00 C ATOM 405 CD GLN A 26 9.675 -1.407 3.782 1.00 0.00 C ATOM 406 OE1 GLN A 26 9.528 -1.358 2.564 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.860 -1.231 4.367 1.00 0.00 N ATOM 0 H GLN A 26 6.857 -4.453 6.514 1.00 0.00 H new ATOM 0 HA GLN A 26 6.856 -3.325 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.289 -3.085 6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.444 -3.560 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.557 -1.480 4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.503 -0.967 5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.940 -1.280 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.687 -1.048 3.799 1.00 0.00 H new ATOM 416 N ASN A 27 8.274 -6.256 4.364 1.00 0.00 N ATOM 417 CA ASN A 27 8.716 -7.456 3.668 1.00 0.00 C ATOM 418 C ASN A 27 7.702 -7.914 2.610 1.00 0.00 C ATOM 419 O ASN A 27 8.123 -8.379 1.554 1.00 0.00 O ATOM 420 CB ASN A 27 9.050 -8.565 4.675 1.00 0.00 C ATOM 421 CG ASN A 27 9.496 -9.840 3.967 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.604 -9.908 3.439 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.629 -10.853 3.941 1.00 0.00 N ATOM 0 H ASN A 27 8.218 -6.366 5.377 1.00 0.00 H new ATOM 0 HA ASN A 27 9.629 -7.215 3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.838 -8.224 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.176 -8.775 5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.876 -11.724 3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.719 -10.757 4.391 1.00 0.00 H new ATOM 430 N LEU A 28 6.388 -7.770 2.851 1.00 0.00 N ATOM 431 CA LEU A 28 5.364 -8.126 1.867 1.00 0.00 C ATOM 432 C LEU A 28 5.590 -7.344 0.567 1.00 0.00 C ATOM 433 O LEU A 28 5.733 -7.922 -0.508 1.00 0.00 O ATOM 434 CB LEU A 28 3.938 -7.841 2.381 1.00 0.00 C ATOM 435 CG LEU A 28 3.572 -8.312 3.793 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.088 -8.097 4.094 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.913 -9.777 4.004 1.00 0.00 C ATOM 0 H LEU A 28 6.013 -7.406 3.727 1.00 0.00 H new ATOM 0 HA LEU A 28 5.453 -9.197 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.777 -6.764 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.235 -8.298 1.684 1.00 0.00 H new ATOM 0 HG LEU A 28 4.166 -7.707 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.868 -8.443 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.851 -7.036 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.487 -8.658 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.638 -10.072 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.362 -10.386 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.983 -9.926 3.860 1.00 0.00 H new ATOM 449 N LYS A 29 5.619 -6.014 0.699 1.00 0.00 N ATOM 450 CA LYS A 29 5.755 -5.034 -0.367 1.00 0.00 C ATOM 451 C LYS A 29 7.095 -5.193 -1.096 1.00 0.00 C ATOM 452 O LYS A 29 7.154 -5.084 -2.321 1.00 0.00 O ATOM 453 CB LYS A 29 5.621 -3.661 0.311 1.00 0.00 C ATOM 454 CG LYS A 29 5.492 -2.464 -0.633 1.00 0.00 C ATOM 455 CD LYS A 29 5.131 -1.188 0.145 1.00 0.00 C ATOM 456 CE LYS A 29 6.089 -0.832 1.289 1.00 0.00 C ATOM 457 NZ LYS A 29 7.462 -0.597 0.816 1.00 0.00 N ATOM 0 H LYS A 29 5.543 -5.572 1.615 1.00 0.00 H new ATOM 0 HA LYS A 29 4.993 -5.161 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.748 -3.682 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.491 -3.505 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.430 -2.315 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.726 -2.667 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.097 -0.352 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.127 -1.302 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.726 0.060 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.093 -1.639 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.131 -0.762 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.675 -1.247 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.552 0.385 0.485 1.00 0.00 H new ATOM 471 N LYS A 30 8.159 -5.468 -0.333 1.00 0.00 N ATOM 472 CA LYS A 30 9.508 -5.675 -0.834 1.00 0.00 C ATOM 473 C LYS A 30 9.591 -6.951 -1.674 1.00 0.00 C ATOM 474 O LYS A 30 10.073 -6.902 -2.804 1.00 0.00 O ATOM 475 CB LYS A 30 10.484 -5.717 0.349 1.00 0.00 C ATOM 476 CG LYS A 30 10.777 -4.302 0.864 1.00 0.00 C ATOM 477 CD LYS A 30 11.567 -4.308 2.179 1.00 0.00 C ATOM 478 CE LYS A 30 12.941 -4.973 2.029 1.00 0.00 C ATOM 479 NZ LYS A 30 13.744 -4.834 3.256 1.00 0.00 N ATOM 0 H LYS A 30 8.095 -5.554 0.681 1.00 0.00 H new ATOM 0 HA LYS A 30 9.782 -4.846 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.063 -6.321 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.413 -6.197 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.339 -3.753 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.837 -3.770 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.698 -3.283 2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.993 -4.833 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.812 -6.030 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.474 -4.524 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.667 -5.294 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.888 -3.825 3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.245 -5.284 4.050 1.00 0.00 H new ATOM 493 N GLU A 31 9.118 -8.085 -1.141 1.00 0.00 N ATOM 494 CA GLU A 31 9.097 -9.361 -1.849 1.00 0.00 C ATOM 495 C GLU A 31 8.270 -9.263 -3.133 1.00 0.00 C ATOM 496 O GLU A 31 8.690 -9.760 -4.175 1.00 0.00 O ATOM 497 CB GLU A 31 8.555 -10.472 -0.944 1.00 0.00 C ATOM 498 CG GLU A 31 9.601 -10.890 0.097 1.00 0.00 C ATOM 499 CD GLU A 31 9.097 -11.997 1.019 1.00 0.00 C ATOM 500 OE1 GLU A 31 7.932 -12.381 0.942 1.00 0.00 O ATOM 501 OE2 GLU A 31 10.009 -12.489 1.905 1.00 0.00 O ATOM 0 H GLU A 31 8.737 -8.138 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 31 10.122 -9.609 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.652 -10.128 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.273 -11.334 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.502 -11.229 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.881 -10.023 0.695 1.00 0.00 H new ATOM 509 N LYS A 32 7.109 -8.601 -3.060 1.00 0.00 N ATOM 510 CA LYS A 32 6.261 -8.341 -4.218 1.00 0.00 C ATOM 511 C LYS A 32 6.939 -7.422 -5.245 1.00 0.00 C ATOM 512 O LYS A 32 6.544 -7.430 -6.409 1.00 0.00 O ATOM 513 CB LYS A 32 4.927 -7.755 -3.746 1.00 0.00 C ATOM 514 CG LYS A 32 4.000 -8.851 -3.215 1.00 0.00 C ATOM 515 CD LYS A 32 2.751 -8.260 -2.552 1.00 0.00 C ATOM 516 CE LYS A 32 1.995 -7.224 -3.399 1.00 0.00 C ATOM 517 NZ LYS A 32 1.608 -7.732 -4.726 1.00 0.00 N ATOM 0 H LYS A 32 6.733 -8.230 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 32 6.082 -9.287 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.107 -7.017 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.443 -7.234 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.703 -9.506 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.539 -9.467 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.069 -9.074 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.043 -7.794 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.100 -6.909 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.620 -6.340 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.073 -7.000 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.462 -7.976 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.015 -8.579 -4.614 1.00 0.00 H new ATOM 531 N GLY A 33 7.954 -6.650 -4.838 1.00 0.00 N ATOM 532 CA GLY A 33 8.779 -5.866 -5.748 1.00 0.00 C ATOM 533 C GLY A 33 8.215 -4.470 -6.014 1.00 0.00 C ATOM 534 O GLY A 33 8.600 -3.833 -6.992 1.00 0.00 O ATOM 0 H GLY A 33 8.223 -6.555 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.782 -5.773 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.875 -6.399 -6.694 1.00 0.00 H new ATOM 538 N LEU A 34 7.299 -3.997 -5.161 1.00 0.00 N ATOM 539 CA LEU A 34 6.694 -2.677 -5.272 1.00 0.00 C ATOM 540 C LEU A 34 7.721 -1.641 -4.828 1.00 0.00 C ATOM 541 O LEU A 34 8.105 -0.763 -5.598 1.00 0.00 O ATOM 542 CB LEU A 34 5.454 -2.605 -4.371 1.00 0.00 C ATOM 543 CG LEU A 34 4.184 -3.222 -4.972 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.426 -4.600 -5.591 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.150 -3.356 -3.850 1.00 0.00 C ATOM 0 H LEU A 34 6.956 -4.534 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 34 6.391 -2.483 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.676 -3.110 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.256 -1.560 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 34 3.838 -2.569 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.491 -4.985 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.163 -4.516 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.796 -5.283 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.235 -3.793 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.547 -3.999 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.932 -2.371 -3.437 1.00 0.00 H new ATOM 557 N PHE A 35 8.146 -1.757 -3.567 1.00 0.00 N ATOM 558 CA PHE A 35 9.112 -0.874 -2.935 1.00 0.00 C ATOM 559 C PHE A 35 9.701 -1.605 -1.727 1.00 0.00 C ATOM 560 O PHE A 35 10.944 -1.592 -1.593 1.00 0.00 O ATOM 561 CB PHE A 35 8.411 0.437 -2.542 1.00 0.00 C ATOM 562 CG PHE A 35 9.325 1.558 -2.078 1.00 0.00 C ATOM 563 CD1 PHE A 35 9.985 1.481 -0.837 1.00 0.00 C ATOM 564 CD2 PHE A 35 9.511 2.692 -2.894 1.00 0.00 C ATOM 565 CE1 PHE A 35 10.850 2.512 -0.431 1.00 0.00 C ATOM 566 CE2 PHE A 35 10.360 3.732 -2.478 1.00 0.00 C ATOM 567 CZ PHE A 35 11.038 3.638 -1.251 1.00 0.00 C ATOM 568 OXT PHE A 35 8.896 -2.163 -0.949 1.00 0.00 O ATOM 0 H PHE A 35 7.813 -2.493 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 35 9.927 -0.616 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.837 0.792 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.697 0.222 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.826 0.627 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.999 2.762 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.371 2.439 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.491 4.604 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.703 4.430 -0.938 1.00 0.00 H new