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= 1.5 K(o=4.9,f=-13!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -151:sc= 1.59 (180deg=0.508) USER MOD Set 1.3: A 30 LYS NZ :NH3+ 174:sc= 1.82 (180deg=0.938) USER MOD Single : A 7 THR OG1 : rot 16:sc= 0.66 USER MOD Single : A 8 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 115:sc= 0.384 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.615 K(o=-0.61,f=-6.2!) USER MOD Single : A 27 ASN : amide:sc= 0.126 K(o=0.13,f=-0.53) USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= 0.0529 (180deg=-0.143) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 0.309 5.696 -1.272 1.00 0.00 N ATOM 38 CA ILE A 3 -0.801 4.923 -0.742 1.00 0.00 C ATOM 39 C ILE A 3 -1.691 4.420 -1.889 1.00 0.00 C ATOM 40 O ILE A 3 -2.268 3.338 -1.791 1.00 0.00 O ATOM 41 CB ILE A 3 -1.557 5.795 0.293 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.237 5.218 1.678 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.078 5.846 0.069 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.924 5.937 2.842 1.00 0.00 C ATOM 0 HA ILE A 3 -0.449 4.030 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.223 6.828 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.527 4.167 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.158 5.254 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.537 6.475 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.287 6.261 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.489 4.839 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.641 5.462 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.616 6.982 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.005 5.879 2.718 1.00 0.00 H new ATOM 56 N GLU A 4 -1.799 5.190 -2.981 1.00 0.00 N ATOM 57 CA GLU A 4 -2.574 4.793 -4.145 1.00 0.00 C ATOM 58 C GLU A 4 -1.889 3.664 -4.905 1.00 0.00 C ATOM 59 O GLU A 4 -2.518 2.654 -5.218 1.00 0.00 O ATOM 60 CB GLU A 4 -2.851 6.008 -5.040 1.00 0.00 C ATOM 61 CG GLU A 4 -4.063 5.753 -5.943 1.00 0.00 C ATOM 62 CD GLU A 4 -4.325 6.937 -6.868 1.00 0.00 C ATOM 63 OE1 GLU A 4 -4.042 6.846 -8.059 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.872 8.042 -6.283 1.00 0.00 O ATOM 0 H GLU A 4 -1.350 6.101 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.535 4.405 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.031 6.887 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.975 6.222 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.894 4.855 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.944 5.567 -5.329 1.00 0.00 H new ATOM 72 N ASP A 5 -0.590 3.822 -5.179 1.00 0.00 N ATOM 73 CA ASP A 5 0.199 2.780 -5.814 1.00 0.00 C ATOM 74 C ASP A 5 0.169 1.508 -4.960 1.00 0.00 C ATOM 75 O ASP A 5 0.106 0.415 -5.513 1.00 0.00 O ATOM 76 CB ASP A 5 1.630 3.281 -6.032 1.00 0.00 C ATOM 77 CG ASP A 5 1.754 4.153 -7.277 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.000 5.351 -7.149 1.00 0.00 O ATOM 79 OD2 ASP A 5 1.587 3.520 -8.473 1.00 0.00 O ATOM 0 H ASP A 5 -0.066 4.671 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.226 2.535 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.950 3.850 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.302 2.427 -6.120 1.00 0.00 H new ATOM 85 N PHE A 6 0.167 1.643 -3.625 1.00 0.00 N ATOM 86 CA PHE A 6 0.033 0.521 -2.706 1.00 0.00 C ATOM 87 C PHE A 6 -1.249 -0.269 -2.983 1.00 0.00 C ATOM 88 O PHE A 6 -1.179 -1.448 -3.325 1.00 0.00 O ATOM 89 CB PHE A 6 0.072 0.989 -1.240 1.00 0.00 C ATOM 90 CG PHE A 6 -0.027 -0.178 -0.285 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.103 -0.973 -0.020 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.223 -0.409 0.418 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.113 -1.812 1.104 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.211 -1.248 1.543 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.019 -1.882 1.929 1.00 0.00 C ATOM 0 H PHE A 6 0.260 2.545 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 6 0.884 -0.139 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.997 1.535 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.749 1.682 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.958 -0.937 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.143 0.055 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.988 -2.401 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.116 -1.406 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.026 -2.424 2.862 1.00 0.00 H new ATOM 105 N THR A 7 -2.414 0.373 -2.826 1.00 0.00 N ATOM 106 CA THR A 7 -3.716 -0.252 -2.968 1.00 0.00 C ATOM 107 C THR A 7 -3.877 -0.907 -4.337 1.00 0.00 C ATOM 108 O THR A 7 -4.362 -2.032 -4.419 1.00 0.00 O ATOM 109 CB THR A 7 -4.796 0.814 -2.745 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.480 2.028 -3.392 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.992 1.112 -1.259 1.00 0.00 C ATOM 0 H THR A 7 -2.468 1.364 -2.591 1.00 0.00 H new ATOM 0 HA THR A 7 -3.815 -1.043 -2.225 1.00 0.00 H new ATOM 0 HB THR A 7 -5.712 0.401 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.775 1.872 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.764 1.872 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.295 0.201 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.056 1.476 -0.834 1.00 0.00 H new ATOM 119 N GLN A 8 -3.471 -0.216 -5.407 1.00 0.00 N ATOM 120 CA GLN A 8 -3.577 -0.730 -6.765 1.00 0.00 C ATOM 121 C GLN A 8 -2.663 -1.940 -6.982 1.00 0.00 C ATOM 122 O GLN A 8 -3.095 -2.936 -7.559 1.00 0.00 O ATOM 123 CB GLN A 8 -3.266 0.384 -7.775 1.00 0.00 C ATOM 124 CG GLN A 8 -4.315 1.507 -7.761 1.00 0.00 C ATOM 125 CD GLN A 8 -5.705 1.013 -8.153 1.00 0.00 C ATOM 126 OE1 GLN A 8 -6.606 0.964 -7.319 1.00 0.00 O ATOM 127 NE2 GLN A 8 -5.884 0.644 -9.423 1.00 0.00 N ATOM 0 H GLN A 8 -3.060 0.716 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.601 -1.069 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.285 0.806 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.211 -0.044 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.357 1.948 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.007 2.296 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.110 0.700 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.795 0.306 -9.732 1.00 0.00 H new ATOM 136 N ALA A 9 -1.404 -1.856 -6.536 1.00 0.00 N ATOM 137 CA ALA A 9 -0.403 -2.885 -6.785 1.00 0.00 C ATOM 138 C ALA A 9 -0.683 -4.166 -5.994 1.00 0.00 C ATOM 139 O ALA A 9 -0.386 -5.259 -6.479 1.00 0.00 O ATOM 140 CB ALA A 9 0.992 -2.346 -6.463 1.00 0.00 C ATOM 0 H ALA A 9 -1.056 -1.067 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.452 -3.146 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.734 -3.122 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.202 -1.481 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.035 -2.050 -5.415 1.00 0.00 H new ATOM 146 N PHE A 10 -1.228 -4.039 -4.776 1.00 0.00 N ATOM 147 CA PHE A 10 -1.478 -5.176 -3.898 1.00 0.00 C ATOM 148 C PHE A 10 -2.914 -5.677 -4.021 1.00 0.00 C ATOM 149 O PHE A 10 -3.136 -6.885 -4.076 1.00 0.00 O ATOM 150 CB PHE A 10 -1.162 -4.818 -2.442 1.00 0.00 C ATOM 151 CG PHE A 10 0.036 -5.557 -1.886 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.025 -6.946 -1.672 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.211 -4.853 -1.581 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.079 -7.623 -1.126 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.295 -5.521 -0.992 1.00 0.00 C ATOM 156 CZ PHE A 10 2.241 -6.908 -0.785 1.00 0.00 C ATOM 0 H PHE A 10 -1.506 -3.142 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.815 -5.982 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.983 -3.745 -2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.033 -5.037 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.921 -7.493 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.281 -3.798 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.035 -8.691 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.173 -4.966 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.091 -7.426 -0.364 1.00 0.00 H new ATOM 166 N GLY A 11 -3.878 -4.752 -4.010 1.00 0.00 N ATOM 167 CA GLY A 11 -5.294 -5.068 -3.925 1.00 0.00 C ATOM 168 C GLY A 11 -5.770 -5.156 -2.472 1.00 0.00 C ATOM 169 O GLY A 11 -6.715 -5.893 -2.195 1.00 0.00 O ATOM 0 H GLY A 11 -3.687 -3.751 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.869 -4.305 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.486 -6.015 -4.429 1.00 0.00 H new ATOM 173 N MET A 12 -5.121 -4.433 -1.545 1.00 0.00 N ATOM 174 CA MET A 12 -5.496 -4.398 -0.134 1.00 0.00 C ATOM 175 C MET A 12 -5.357 -2.987 0.432 1.00 0.00 C ATOM 176 O MET A 12 -4.574 -2.184 -0.073 1.00 0.00 O ATOM 177 CB MET A 12 -4.665 -5.407 0.673 1.00 0.00 C ATOM 178 CG MET A 12 -3.208 -4.984 0.896 1.00 0.00 C ATOM 179 SD MET A 12 -1.984 -6.327 0.960 1.00 0.00 S ATOM 180 CE MET A 12 -2.507 -7.278 2.410 1.00 0.00 C ATOM 0 H MET A 12 -4.312 -3.851 -1.764 1.00 0.00 H new ATOM 0 HA MET A 12 -6.544 -4.685 -0.051 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.140 -5.559 1.642 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.678 -6.367 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.924 -4.299 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.153 -4.425 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.835 -8.125 2.551 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.478 -6.640 3.293 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.523 -7.642 2.259 1.00 0.00 H new ATOM 190 N THR A 13 -6.108 -2.705 1.500 1.00 0.00 N ATOM 191 CA THR A 13 -6.018 -1.456 2.245 1.00 0.00 C ATOM 192 C THR A 13 -4.679 -1.335 2.979 1.00 0.00 C ATOM 193 O THR A 13 -4.163 -2.328 3.494 1.00 0.00 O ATOM 194 CB THR A 13 -7.229 -1.267 3.193 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.824 -0.807 4.457 1.00 0.00 O ATOM 196 CG2 THR A 13 -8.049 -2.534 3.472 1.00 0.00 C ATOM 0 H THR A 13 -6.804 -3.350 1.873 1.00 0.00 H new ATOM 0 HA THR A 13 -6.056 -0.640 1.524 1.00 0.00 H new ATOM 0 HB THR A 13 -7.847 -0.551 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.182 0.093 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.872 -2.294 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.448 -2.923 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.410 -3.287 3.934 1.00 0.00 H new ATOM 204 N PRO A 14 -4.129 -0.111 3.068 1.00 0.00 N ATOM 205 CA PRO A 14 -2.958 0.176 3.871 1.00 0.00 C ATOM 206 C PRO A 14 -3.283 0.063 5.363 1.00 0.00 C ATOM 207 O PRO A 14 -2.360 -0.097 6.155 1.00 0.00 O ATOM 208 CB PRO A 14 -2.538 1.596 3.491 1.00 0.00 C ATOM 209 CG PRO A 14 -3.866 2.261 3.139 1.00 0.00 C ATOM 210 CD PRO A 14 -4.665 1.121 2.509 1.00 0.00 C ATOM 0 HA PRO A 14 -2.152 -0.534 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.038 2.104 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.847 1.601 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.363 2.662 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.731 3.091 2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.727 1.220 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.566 1.131 1.424 1.00 0.00 H new ATOM 218 N ALA A 15 -4.566 0.121 5.757 1.00 0.00 N ATOM 219 CA ALA A 15 -4.949 -0.074 7.153 1.00 0.00 C ATOM 220 C ALA A 15 -4.794 -1.549 7.533 1.00 0.00 C ATOM 221 O ALA A 15 -4.210 -1.859 8.571 1.00 0.00 O ATOM 222 CB ALA A 15 -6.370 0.430 7.411 1.00 0.00 C ATOM 0 H ALA A 15 -5.348 0.301 5.127 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.285 0.514 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.628 0.272 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.426 1.494 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.070 -0.116 6.779 1.00 0.00 H new ATOM 228 N ALA A 16 -5.281 -2.455 6.674 1.00 0.00 N ATOM 229 CA ALA A 16 -5.075 -3.891 6.835 1.00 0.00 C ATOM 230 C ALA A 16 -3.584 -4.216 6.881 1.00 0.00 C ATOM 231 O ALA A 16 -3.147 -5.019 7.703 1.00 0.00 O ATOM 232 CB ALA A 16 -5.755 -4.662 5.699 1.00 0.00 C ATOM 0 H ALA A 16 -5.828 -2.207 5.850 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.525 -4.199 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.591 -5.731 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.825 -4.455 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.333 -4.349 4.744 1.00 0.00 H new ATOM 238 N PHE A 17 -2.804 -3.570 6.008 1.00 0.00 N ATOM 239 CA PHE A 17 -1.357 -3.707 5.982 1.00 0.00 C ATOM 240 C PHE A 17 -0.758 -3.259 7.320 1.00 0.00 C ATOM 241 O PHE A 17 0.030 -3.988 7.918 1.00 0.00 O ATOM 242 CB PHE A 17 -0.797 -2.906 4.793 1.00 0.00 C ATOM 243 CG PHE A 17 0.345 -3.569 4.051 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.210 -4.864 3.517 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.578 -2.899 3.953 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.302 -5.473 2.873 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.694 -3.552 3.410 1.00 0.00 C ATOM 248 CZ PHE A 17 2.544 -4.815 2.822 1.00 0.00 C ATOM 0 H PHE A 17 -3.168 -2.935 5.298 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.079 -4.752 5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.607 -2.718 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.459 -1.935 5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.730 -5.389 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.665 -1.879 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.187 -6.446 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.666 -3.083 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.383 -5.284 2.329 1.00 0.00 H new ATOM 258 N SER A 18 -1.166 -2.075 7.794 1.00 0.00 N ATOM 259 CA SER A 18 -0.667 -1.441 9.008 1.00 0.00 C ATOM 260 C SER A 18 -0.919 -2.304 10.245 1.00 0.00 C ATOM 261 O SER A 18 -0.117 -2.276 11.177 1.00 0.00 O ATOM 262 CB SER A 18 -1.283 -0.049 9.177 1.00 0.00 C ATOM 263 OG SER A 18 -0.681 0.623 10.266 1.00 0.00 O ATOM 0 H SER A 18 -1.878 -1.517 7.322 1.00 0.00 H new ATOM 0 HA SER A 18 0.413 -1.334 8.905 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.148 0.530 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.357 -0.136 9.343 1.00 0.00 H new ATOM 0 HG SER A 18 -1.081 1.512 10.364 1.00 0.00 H new ATOM 269 N ALA A 19 -2.026 -3.058 10.256 1.00 0.00 N ATOM 270 CA ALA A 19 -2.384 -3.948 11.350 1.00 0.00 C ATOM 271 C ALA A 19 -1.311 -5.011 11.612 1.00 0.00 C ATOM 272 O ALA A 19 -1.154 -5.442 12.754 1.00 0.00 O ATOM 273 CB ALA A 19 -3.738 -4.601 11.066 1.00 0.00 C ATOM 0 H ALA A 19 -2.702 -3.062 9.492 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.456 -3.347 12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.001 -5.266 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.501 -3.829 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.679 -5.174 10.141 1.00 0.00 H new ATOM 279 N LEU A 20 -0.570 -5.436 10.578 1.00 0.00 N ATOM 280 CA LEU A 20 0.504 -6.411 10.747 1.00 0.00 C ATOM 281 C LEU A 20 1.721 -5.727 11.379 1.00 0.00 C ATOM 282 O LEU A 20 1.874 -4.517 11.225 1.00 0.00 O ATOM 283 CB LEU A 20 0.950 -7.003 9.397 1.00 0.00 C ATOM 284 CG LEU A 20 -0.157 -7.313 8.379 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.504 -7.679 7.044 1.00 0.00 C ATOM 286 CD2 LEU A 20 -1.059 -8.450 8.865 1.00 0.00 C ATOM 0 H LEU A 20 -0.699 -5.116 9.618 1.00 0.00 H new ATOM 0 HA LEU A 20 0.122 -7.210 11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.651 -6.307 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.498 -7.924 9.594 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.791 -6.435 8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.266 -7.903 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.108 -6.841 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.141 -8.553 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.832 -8.644 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.462 -9.350 9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.526 -8.166 9.808 1.00 0.00 H new ATOM 298 N PRO A 21 2.627 -6.464 12.046 1.00 0.00 N ATOM 299 CA PRO A 21 3.910 -5.918 12.455 1.00 0.00 C ATOM 300 C PRO A 21 4.673 -5.389 11.239 1.00 0.00 C ATOM 301 O PRO A 21 4.668 -6.009 10.174 1.00 0.00 O ATOM 302 CB PRO A 21 4.676 -7.057 13.131 1.00 0.00 C ATOM 303 CG PRO A 21 3.923 -8.322 12.719 1.00 0.00 C ATOM 304 CD PRO A 21 2.492 -7.835 12.499 1.00 0.00 C ATOM 0 HA PRO A 21 3.784 -5.080 13.141 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.714 -7.088 12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.689 -6.938 14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.341 -8.760 11.812 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.971 -9.087 13.494 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.977 -8.446 11.758 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.910 -7.891 13.419 1.00 0.00 H new ATOM 312 N ARG A 22 5.314 -4.231 11.421 1.00 0.00 N ATOM 313 CA ARG A 22 6.024 -3.486 10.393 1.00 0.00 C ATOM 314 C ARG A 22 7.018 -4.345 9.619 1.00 0.00 C ATOM 315 O ARG A 22 7.118 -4.210 8.402 1.00 0.00 O ATOM 316 CB ARG A 22 6.721 -2.298 11.056 1.00 0.00 C ATOM 317 CG ARG A 22 7.606 -1.483 10.105 1.00 0.00 C ATOM 318 CD ARG A 22 6.922 -0.928 8.844 1.00 0.00 C ATOM 319 NE ARG A 22 5.513 -0.552 9.029 1.00 0.00 N ATOM 320 CZ ARG A 22 5.043 0.492 9.730 1.00 0.00 C ATOM 321 NH1 ARG A 22 5.870 1.298 10.410 1.00 0.00 N ATOM 322 NH2 ARG A 22 3.723 0.722 9.739 1.00 0.00 N ATOM 0 H ARG A 22 5.350 -3.772 12.331 1.00 0.00 H new ATOM 0 HA ARG A 22 5.301 -3.138 9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.965 -1.640 11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.332 -2.663 11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.027 -0.646 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.441 -2.110 9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.476 -0.054 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.984 -1.676 8.053 1.00 0.00 H new ATOM 0 HE ARG A 22 4.819 -1.147 8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.875 1.123 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.495 2.086 10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.095 0.109 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.346 1.510 10.266 1.00 0.00 H new ATOM 336 N TRP A 23 7.761 -5.217 10.306 1.00 0.00 N ATOM 337 CA TRP A 23 8.754 -6.044 9.635 1.00 0.00 C ATOM 338 C TRP A 23 8.088 -6.909 8.563 1.00 0.00 C ATOM 339 O TRP A 23 8.591 -7.013 7.446 1.00 0.00 O ATOM 340 CB TRP A 23 9.539 -6.870 10.661 1.00 0.00 C ATOM 341 CG TRP A 23 8.877 -8.141 11.112 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.181 -8.292 12.257 1.00 0.00 C ATOM 343 CD2 TRP A 23 8.793 -9.430 10.426 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.631 -9.556 12.316 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.961 -10.295 11.200 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.279 -9.940 9.201 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.625 -11.589 10.777 1.00 0.00 C ATOM 348 CZ3 TRP A 23 8.949 -11.238 8.769 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.122 -12.062 9.552 1.00 0.00 C ATOM 0 H TRP A 23 7.692 -5.364 11.313 1.00 0.00 H new ATOM 0 HA TRP A 23 9.475 -5.406 9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.511 -7.119 10.234 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.725 -6.248 11.536 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.070 -7.533 13.018 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.055 -9.899 13.085 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.915 -9.322 8.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.991 -12.215 11.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.334 -11.604 7.829 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.870 -13.056 9.212 1.00 0.00 H new ATOM 360 N LYS A 24 6.944 -7.509 8.912 1.00 0.00 N ATOM 361 CA LYS A 24 6.241 -8.450 8.065 1.00 0.00 C ATOM 362 C LYS A 24 5.653 -7.719 6.878 1.00 0.00 C ATOM 363 O LYS A 24 5.987 -8.012 5.738 1.00 0.00 O ATOM 364 CB LYS A 24 5.153 -9.167 8.876 1.00 0.00 C ATOM 365 CG LYS A 24 4.679 -10.429 8.149 1.00 0.00 C ATOM 366 CD LYS A 24 3.738 -11.266 9.022 1.00 0.00 C ATOM 367 CE LYS A 24 2.526 -10.450 9.483 1.00 0.00 C ATOM 368 NZ LYS A 24 1.526 -11.296 10.156 1.00 0.00 N ATOM 0 H LYS A 24 6.482 -7.345 9.807 1.00 0.00 H new ATOM 0 HA LYS A 24 6.934 -9.204 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.541 -9.432 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.310 -8.495 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.168 -10.148 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.542 -11.031 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.399 -12.138 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.280 -11.637 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.854 -9.663 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.069 -9.959 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.720 -10.710 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.195 -12.032 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.956 -11.744 10.990 1.00 0.00 H new ATOM 382 N GLN A 25 4.808 -6.743 7.198 1.00 0.00 N ATOM 383 CA GLN A 25 4.202 -5.754 6.334 1.00 0.00 C ATOM 384 C GLN A 25 5.144 -5.347 5.202 1.00 0.00 C ATOM 385 O GLN A 25 4.815 -5.521 4.031 1.00 0.00 O ATOM 386 CB GLN A 25 3.871 -4.601 7.280 1.00 0.00 C ATOM 387 CG GLN A 25 3.034 -3.453 6.735 1.00 0.00 C ATOM 388 CD GLN A 25 2.801 -2.428 7.845 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.977 -1.229 7.638 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.443 -2.890 9.047 1.00 0.00 N ATOM 0 H GLN A 25 4.506 -6.620 8.164 1.00 0.00 H new ATOM 0 HA GLN A 25 3.314 -6.120 5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.350 -5.015 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.811 -4.186 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.543 -2.985 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.080 -3.827 6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.304 -3.891 9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.308 -2.242 9.823 1.00 0.00 H new ATOM 399 N GLN A 26 6.336 -4.843 5.537 1.00 0.00 N ATOM 400 CA GLN A 26 7.272 -4.354 4.543 1.00 0.00 C ATOM 401 C GLN A 26 7.928 -5.511 3.788 1.00 0.00 C ATOM 402 O GLN A 26 8.123 -5.409 2.579 1.00 0.00 O ATOM 403 CB GLN A 26 8.289 -3.446 5.241 1.00 0.00 C ATOM 404 CG GLN A 26 8.309 -2.047 4.622 1.00 0.00 C ATOM 405 CD GLN A 26 9.402 -1.903 3.567 1.00 0.00 C ATOM 406 OE1 GLN A 26 9.114 -1.804 2.377 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.663 -1.886 4.003 1.00 0.00 N ATOM 0 H GLN A 26 6.669 -4.767 6.498 1.00 0.00 H new ATOM 0 HA GLN A 26 6.749 -3.769 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.046 -3.373 6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.282 -3.890 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.340 -1.837 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.463 -1.306 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.859 -1.971 5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.431 -1.788 3.339 1.00 0.00 H new ATOM 416 N ASN A 27 8.231 -6.617 4.482 1.00 0.00 N ATOM 417 CA ASN A 27 8.717 -7.842 3.869 1.00 0.00 C ATOM 418 C ASN A 27 7.751 -8.367 2.797 1.00 0.00 C ATOM 419 O ASN A 27 8.223 -8.886 1.790 1.00 0.00 O ATOM 420 CB ASN A 27 9.034 -8.888 4.950 1.00 0.00 C ATOM 421 CG ASN A 27 9.404 -10.234 4.338 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.549 -10.453 3.953 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.424 -11.133 4.237 1.00 0.00 N ATOM 0 H ASN A 27 8.141 -6.678 5.496 1.00 0.00 H new ATOM 0 HA ASN A 27 9.647 -7.622 3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.856 -8.532 5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.170 -9.010 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.611 -12.048 3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.487 -10.906 4.571 1.00 0.00 H new ATOM 430 N LEU A 28 6.425 -8.217 2.966 1.00 0.00 N ATOM 431 CA LEU A 28 5.459 -8.617 1.943 1.00 0.00 C ATOM 432 C LEU A 28 5.775 -7.890 0.633 1.00 0.00 C ATOM 433 O LEU A 28 5.994 -8.517 -0.401 1.00 0.00 O ATOM 434 CB LEU A 28 3.997 -8.310 2.337 1.00 0.00 C ATOM 435 CG LEU A 28 3.509 -8.728 3.730 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.018 -8.433 3.916 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.737 -10.208 3.974 1.00 0.00 C ATOM 0 H LEU A 28 6.003 -7.820 3.806 1.00 0.00 H new ATOM 0 HA LEU A 28 5.550 -9.697 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.848 -7.234 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.349 -8.787 1.602 1.00 0.00 H new ATOM 0 HG LEU A 28 4.087 -8.144 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.708 -8.742 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.841 -7.364 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.443 -8.982 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.380 -10.472 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.193 -10.788 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.802 -10.429 3.900 1.00 0.00 H new ATOM 449 N LYS A 29 5.793 -6.556 0.702 1.00 0.00 N ATOM 450 CA LYS A 29 5.976 -5.654 -0.424 1.00 0.00 C ATOM 451 C LYS A 29 7.343 -5.855 -1.082 1.00 0.00 C ATOM 452 O LYS A 29 7.454 -5.839 -2.307 1.00 0.00 O ATOM 453 CB LYS A 29 5.795 -4.225 0.107 1.00 0.00 C ATOM 454 CG LYS A 29 5.585 -3.193 -1.002 1.00 0.00 C ATOM 455 CD LYS A 29 5.090 -1.854 -0.437 1.00 0.00 C ATOM 456 CE LYS A 29 5.958 -1.289 0.695 1.00 0.00 C ATOM 457 NZ LYS A 29 7.352 -1.073 0.275 1.00 0.00 N ATOM 0 H LYS A 29 5.675 -6.060 1.585 1.00 0.00 H new ATOM 0 HA LYS A 29 5.242 -5.857 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.941 -4.201 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.672 -3.948 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.521 -3.039 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.862 -3.574 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.048 -1.125 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.072 -1.982 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.534 -0.345 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.938 -1.975 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.982 -1.174 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.610 -1.775 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.451 -0.116 -0.121 1.00 0.00 H new ATOM 471 N LYS A 30 8.372 -6.058 -0.252 1.00 0.00 N ATOM 472 CA LYS A 30 9.747 -6.265 -0.679 1.00 0.00 C ATOM 473 C LYS A 30 9.894 -7.593 -1.425 1.00 0.00 C ATOM 474 O LYS A 30 10.413 -7.607 -2.539 1.00 0.00 O ATOM 475 CB LYS A 30 10.668 -6.204 0.548 1.00 0.00 C ATOM 476 CG LYS A 30 10.960 -4.763 0.990 1.00 0.00 C ATOM 477 CD LYS A 30 12.002 -4.099 0.076 1.00 0.00 C ATOM 478 CE LYS A 30 12.475 -2.749 0.623 1.00 0.00 C ATOM 479 NZ LYS A 30 11.406 -1.736 0.598 1.00 0.00 N ATOM 0 H LYS A 30 8.261 -6.082 0.762 1.00 0.00 H new ATOM 0 HA LYS A 30 10.034 -5.477 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.207 -6.748 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.607 -6.708 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.038 -4.182 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.322 -4.762 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.859 -4.763 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.574 -3.957 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.829 -2.877 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.322 -2.396 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.737 -0.870 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.156 -1.520 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.569 -2.102 1.095 1.00 0.00 H new ATOM 493 N GLU A 31 9.438 -8.701 -0.825 1.00 0.00 N ATOM 494 CA GLU A 31 9.514 -10.022 -1.436 1.00 0.00 C ATOM 495 C GLU A 31 8.698 -10.086 -2.728 1.00 0.00 C ATOM 496 O GLU A 31 9.144 -10.696 -3.698 1.00 0.00 O ATOM 497 CB GLU A 31 9.080 -11.110 -0.447 1.00 0.00 C ATOM 498 CG GLU A 31 10.147 -11.308 0.637 1.00 0.00 C ATOM 499 CD GLU A 31 9.812 -12.456 1.584 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.638 -12.743 1.814 1.00 0.00 O ATOM 501 OE2 GLU A 31 10.881 -13.101 2.134 1.00 0.00 O ATOM 0 H GLU A 31 9.006 -8.700 0.099 1.00 0.00 H new ATOM 0 HA GLU A 31 10.555 -10.208 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.132 -10.833 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.915 -12.047 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.110 -11.501 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.253 -10.387 1.211 1.00 0.00 H new ATOM 509 N LYS A 32 7.523 -9.443 -2.758 1.00 0.00 N ATOM 510 CA LYS A 32 6.712 -9.349 -3.961 1.00 0.00 C ATOM 511 C LYS A 32 7.430 -8.547 -5.055 1.00 0.00 C ATOM 512 O LYS A 32 7.213 -8.800 -6.239 1.00 0.00 O ATOM 513 CB LYS A 32 5.360 -8.723 -3.607 1.00 0.00 C ATOM 514 CG LYS A 32 4.309 -9.037 -4.676 1.00 0.00 C ATOM 515 CD LYS A 32 2.963 -8.439 -4.265 1.00 0.00 C ATOM 516 CE LYS A 32 1.924 -8.669 -5.369 1.00 0.00 C ATOM 517 NZ LYS A 32 0.671 -7.945 -5.097 1.00 0.00 N ATOM 0 H LYS A 32 7.116 -8.977 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 32 6.547 -10.350 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.024 -9.099 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.471 -7.643 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.621 -8.629 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.216 -10.116 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.623 -8.894 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.073 -7.371 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.332 -8.344 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.716 -9.735 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.139 -8.549 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.626 -7.697 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.640 -7.077 -5.669 1.00 0.00 H new ATOM 531 N GLY A 33 8.286 -7.593 -4.662 1.00 0.00 N ATOM 532 CA GLY A 33 9.105 -6.811 -5.576 1.00 0.00 C ATOM 533 C GLY A 33 8.442 -5.492 -5.973 1.00 0.00 C ATOM 534 O GLY A 33 8.847 -4.886 -6.963 1.00 0.00 O ATOM 0 H GLY A 33 8.425 -7.345 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.068 -6.604 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.305 -7.398 -6.473 1.00 0.00 H new ATOM 538 N LEU A 34 7.425 -5.048 -5.222 1.00 0.00 N ATOM 539 CA LEU A 34 6.721 -3.802 -5.507 1.00 0.00 C ATOM 540 C LEU A 34 7.614 -2.600 -5.206 1.00 0.00 C ATOM 541 O LEU A 34 7.916 -1.819 -6.107 1.00 0.00 O ATOM 542 CB LEU A 34 5.420 -3.740 -4.694 1.00 0.00 C ATOM 543 CG LEU A 34 4.212 -4.318 -5.444 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.491 -5.705 -6.030 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.030 -4.395 -4.471 1.00 0.00 C ATOM 0 H LEU A 34 7.072 -5.544 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 34 6.468 -3.772 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.556 -4.286 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.213 -2.703 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 34 3.987 -3.661 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.603 -6.066 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.322 -5.643 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.747 -6.395 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.161 -4.804 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.291 -5.040 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.797 -3.396 -4.102 1.00 0.00 H new ATOM 557 N PHE A 35 8.004 -2.432 -3.938 1.00 0.00 N ATOM 558 CA PHE A 35 8.751 -1.267 -3.483 1.00 0.00 C ATOM 559 C PHE A 35 9.423 -1.563 -2.140 1.00 0.00 C ATOM 560 O PHE A 35 10.376 -0.828 -1.806 1.00 0.00 O ATOM 561 CB PHE A 35 7.804 -0.060 -3.389 1.00 0.00 C ATOM 562 CG PHE A 35 8.490 1.284 -3.223 1.00 0.00 C ATOM 563 CD1 PHE A 35 9.137 1.873 -4.325 1.00 0.00 C ATOM 564 CD2 PHE A 35 8.469 1.956 -1.986 1.00 0.00 C ATOM 565 CE1 PHE A 35 9.750 3.131 -4.195 1.00 0.00 C ATOM 566 CE2 PHE A 35 9.075 3.217 -1.858 1.00 0.00 C ATOM 567 CZ PHE A 35 9.719 3.803 -2.962 1.00 0.00 C ATOM 568 OXT PHE A 35 8.972 -2.502 -1.446 1.00 0.00 O ATOM 0 H PHE A 35 7.807 -3.107 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 35 9.539 -1.030 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.190 -0.029 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.128 -0.212 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.163 1.357 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.986 1.501 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.245 3.581 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.046 3.736 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.190 4.770 -2.862 1.00 0.00 H new