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= 0.848 K(o=2.4,f=-3.6) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -163:sc= 1.56 (180deg=1.16) USER MOD Single : A 7 THR OG1 : rot 17:sc= 0.64 USER MOD Single : A 8 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 114:sc= 0.166 USER MOD Single : A 18 SER OG : rot -38:sc= 0.781 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.24 K(o=-1.2,f=-6!) USER MOD Single : A 27 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.08) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.809 (180deg=0.39) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -0.294 5.888 -1.043 1.00 0.00 N ATOM 38 CA ILE A 3 -1.385 5.028 -0.615 1.00 0.00 C ATOM 39 C ILE A 3 -2.115 4.481 -1.852 1.00 0.00 C ATOM 40 O ILE A 3 -2.534 3.325 -1.862 1.00 0.00 O ATOM 41 CB ILE A 3 -2.298 5.829 0.349 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.039 5.284 1.761 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.796 5.726 0.005 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.883 5.934 2.861 1.00 0.00 C ATOM 0 HA ILE A 3 -1.024 4.160 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.055 6.888 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.229 4.211 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.985 5.421 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.375 6.310 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.966 6.112 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.109 4.683 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.633 5.487 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.677 7.004 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.940 5.774 2.650 1.00 0.00 H new ATOM 56 N GLU A 4 -2.243 5.305 -2.902 1.00 0.00 N ATOM 57 CA GLU A 4 -2.882 4.926 -4.151 1.00 0.00 C ATOM 58 C GLU A 4 -2.054 3.859 -4.866 1.00 0.00 C ATOM 59 O GLU A 4 -2.590 2.828 -5.269 1.00 0.00 O ATOM 60 CB GLU A 4 -3.053 6.166 -5.038 1.00 0.00 C ATOM 61 CG GLU A 4 -4.283 6.975 -4.612 1.00 0.00 C ATOM 62 CD GLU A 4 -4.441 8.229 -5.465 1.00 0.00 C ATOM 63 OE1 GLU A 4 -4.154 9.324 -4.986 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.900 8.036 -6.733 1.00 0.00 O ATOM 0 H GLU A 4 -1.898 6.265 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.866 4.507 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.162 6.790 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.155 5.862 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.176 6.357 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.192 7.255 -3.563 1.00 0.00 H new ATOM 72 N ASP A 5 -0.745 4.100 -5.017 1.00 0.00 N ATOM 73 CA ASP A 5 0.157 3.140 -5.636 1.00 0.00 C ATOM 74 C ASP A 5 0.116 1.810 -4.880 1.00 0.00 C ATOM 75 O ASP A 5 0.068 0.755 -5.503 1.00 0.00 O ATOM 76 CB ASP A 5 1.577 3.717 -5.693 1.00 0.00 C ATOM 77 CG ASP A 5 2.557 2.816 -6.445 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.143 2.023 -7.288 1.00 0.00 O ATOM 79 OD2 ASP A 5 3.872 2.968 -6.122 1.00 0.00 O ATOM 0 H ASP A 5 -0.291 4.962 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.167 2.947 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.547 4.694 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.941 3.873 -4.678 1.00 0.00 H new ATOM 85 N PHE A 6 0.098 1.865 -3.542 1.00 0.00 N ATOM 86 CA PHE A 6 0.005 0.693 -2.687 1.00 0.00 C ATOM 87 C PHE A 6 -1.226 -0.152 -3.032 1.00 0.00 C ATOM 88 O PHE A 6 -1.082 -1.317 -3.395 1.00 0.00 O ATOM 89 CB PHE A 6 0.002 1.106 -1.209 1.00 0.00 C ATOM 90 CG PHE A 6 -0.104 -0.093 -0.297 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.017 -0.915 -0.084 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.345 -0.446 0.264 1.00 0.00 C ATOM 93 CE1 PHE A 6 0.840 -2.190 0.473 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.521 -1.723 0.814 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.443 -2.620 0.848 1.00 0.00 C ATOM 0 H PHE A 6 0.149 2.742 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 6 0.883 0.072 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.915 1.656 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.832 1.782 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.005 -0.568 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.159 0.264 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.690 -2.841 0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.482 -2.015 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.600 -3.641 1.163 1.00 0.00 H new ATOM 105 N THR A 7 -2.430 0.427 -2.921 1.00 0.00 N ATOM 106 CA THR A 7 -3.686 -0.262 -3.155 1.00 0.00 C ATOM 107 C THR A 7 -3.733 -0.880 -4.552 1.00 0.00 C ATOM 108 O THR A 7 -4.135 -2.031 -4.692 1.00 0.00 O ATOM 109 CB THR A 7 -4.835 0.737 -2.965 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.561 1.984 -3.565 1.00 0.00 O ATOM 111 CG2 THR A 7 -5.126 0.985 -1.486 1.00 0.00 C ATOM 0 H THR A 7 -2.549 1.406 -2.661 1.00 0.00 H new ATOM 0 HA THR A 7 -3.783 -1.080 -2.441 1.00 0.00 H new ATOM 0 HB THR A 7 -5.701 0.282 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.828 1.884 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.945 1.698 -1.391 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.404 0.046 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.236 1.389 -1.003 1.00 0.00 H new ATOM 119 N GLN A 8 -3.325 -0.127 -5.578 1.00 0.00 N ATOM 120 CA GLN A 8 -3.338 -0.598 -6.956 1.00 0.00 C ATOM 121 C GLN A 8 -2.327 -1.727 -7.180 1.00 0.00 C ATOM 122 O GLN A 8 -2.638 -2.698 -7.867 1.00 0.00 O ATOM 123 CB GLN A 8 -3.072 0.574 -7.913 1.00 0.00 C ATOM 124 CG GLN A 8 -4.203 1.611 -7.906 1.00 0.00 C ATOM 125 CD GLN A 8 -5.534 1.028 -8.377 1.00 0.00 C ATOM 126 OE1 GLN A 8 -6.464 0.882 -7.586 1.00 0.00 O ATOM 127 NE2 GLN A 8 -5.630 0.691 -9.664 1.00 0.00 N ATOM 0 H GLN A 8 -2.977 0.826 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.326 -1.008 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.137 1.060 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.943 0.190 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.321 2.009 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.929 2.447 -8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.835 0.828 -10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.499 0.296 -10.024 1.00 0.00 H new ATOM 136 N ALA A 9 -1.121 -1.602 -6.614 1.00 0.00 N ATOM 137 CA ALA A 9 -0.033 -2.546 -6.839 1.00 0.00 C ATOM 138 C ALA A 9 -0.292 -3.881 -6.138 1.00 0.00 C ATOM 139 O ALA A 9 0.093 -4.927 -6.659 1.00 0.00 O ATOM 140 CB ALA A 9 1.295 -1.938 -6.378 1.00 0.00 C ATOM 0 H ALA A 9 -0.877 -0.837 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 9 0.024 -2.747 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.101 -2.651 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.492 -1.025 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.239 -1.704 -5.315 1.00 0.00 H new ATOM 146 N PHE A 10 -0.920 -3.847 -4.956 1.00 0.00 N ATOM 147 CA PHE A 10 -1.176 -5.033 -4.150 1.00 0.00 C ATOM 148 C PHE A 10 -2.568 -5.597 -4.411 1.00 0.00 C ATOM 149 O PHE A 10 -2.715 -6.794 -4.647 1.00 0.00 O ATOM 150 CB PHE A 10 -1.033 -4.707 -2.659 1.00 0.00 C ATOM 151 CG PHE A 10 0.134 -5.399 -1.999 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.076 -6.778 -1.732 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.270 -4.660 -1.636 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.118 -7.400 -1.025 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.299 -5.276 -0.910 1.00 0.00 C ATOM 156 CZ PHE A 10 2.233 -6.649 -0.622 1.00 0.00 C ATOM 0 H PHE A 10 -1.265 -2.985 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.439 -5.784 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.920 -3.629 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.951 -4.990 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.769 -7.359 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.352 -3.620 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.061 -8.453 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.144 -4.694 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.042 -7.128 -0.090 1.00 0.00 H new ATOM 166 N GLY A 11 -3.581 -4.733 -4.303 1.00 0.00 N ATOM 167 CA GLY A 11 -4.984 -5.116 -4.298 1.00 0.00 C ATOM 168 C GLY A 11 -5.523 -5.274 -2.871 1.00 0.00 C ATOM 169 O GLY A 11 -6.449 -6.057 -2.666 1.00 0.00 O ATOM 0 H GLY A 11 -3.439 -3.727 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.569 -4.363 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.107 -6.054 -4.840 1.00 0.00 H new ATOM 173 N MET A 12 -4.951 -4.556 -1.890 1.00 0.00 N ATOM 174 CA MET A 12 -5.415 -4.560 -0.503 1.00 0.00 C ATOM 175 C MET A 12 -5.380 -3.156 0.092 1.00 0.00 C ATOM 176 O MET A 12 -4.619 -2.302 -0.356 1.00 0.00 O ATOM 177 CB MET A 12 -4.591 -5.533 0.356 1.00 0.00 C ATOM 178 CG MET A 12 -3.165 -5.052 0.655 1.00 0.00 C ATOM 179 SD MET A 12 -1.906 -6.350 0.824 1.00 0.00 S ATOM 180 CE MET A 12 -2.484 -7.294 2.258 1.00 0.00 C ATOM 0 H MET A 12 -4.144 -3.951 -2.045 1.00 0.00 H new ATOM 0 HA MET A 12 -6.450 -4.903 -0.504 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.112 -5.699 1.299 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.539 -6.495 -0.153 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.856 -4.376 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.185 -4.470 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.793 -8.114 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.531 -6.640 3.129 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.476 -7.697 2.053 1.00 0.00 H new ATOM 190 N THR A 13 -6.196 -2.942 1.129 1.00 0.00 N ATOM 191 CA THR A 13 -6.212 -1.710 1.905 1.00 0.00 C ATOM 192 C THR A 13 -4.914 -1.536 2.701 1.00 0.00 C ATOM 193 O THR A 13 -4.376 -2.511 3.228 1.00 0.00 O ATOM 194 CB THR A 13 -7.470 -1.618 2.803 1.00 0.00 C ATOM 195 OG1 THR A 13 -7.153 -1.129 4.082 1.00 0.00 O ATOM 196 CG2 THR A 13 -8.202 -2.944 3.045 1.00 0.00 C ATOM 0 H THR A 13 -6.872 -3.634 1.453 1.00 0.00 H new ATOM 0 HA THR A 13 -6.268 -0.877 1.204 1.00 0.00 H new ATOM 0 HB THR A 13 -8.120 -0.950 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.573 -0.253 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.067 -2.771 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.533 -3.356 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.527 -3.649 3.531 1.00 0.00 H new ATOM 204 N PRO A 14 -4.429 -0.291 2.832 1.00 0.00 N ATOM 205 CA PRO A 14 -3.320 0.040 3.703 1.00 0.00 C ATOM 206 C PRO A 14 -3.734 -0.081 5.171 1.00 0.00 C ATOM 207 O PRO A 14 -2.860 -0.219 6.021 1.00 0.00 O ATOM 208 CB PRO A 14 -2.928 1.473 3.342 1.00 0.00 C ATOM 209 CG PRO A 14 -4.254 2.091 2.907 1.00 0.00 C ATOM 210 CD PRO A 14 -4.989 0.921 2.255 1.00 0.00 C ATOM 0 HA PRO A 14 -2.478 -0.640 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.497 2.000 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.188 1.500 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.809 2.492 3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.104 2.913 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.061 0.982 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.856 0.933 1.173 1.00 0.00 H new ATOM 218 N ALA A 15 -5.042 -0.056 5.485 1.00 0.00 N ATOM 219 CA ALA A 15 -5.494 -0.267 6.856 1.00 0.00 C ATOM 220 C ALA A 15 -5.223 -1.716 7.267 1.00 0.00 C ATOM 221 O ALA A 15 -4.646 -1.959 8.325 1.00 0.00 O ATOM 222 CB ALA A 15 -6.970 0.103 7.021 1.00 0.00 C ATOM 0 H ALA A 15 -5.790 0.107 4.811 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.933 0.392 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.274 -0.066 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.112 1.154 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.576 -0.515 6.358 1.00 0.00 H new ATOM 228 N ALA A 16 -5.596 -2.671 6.404 1.00 0.00 N ATOM 229 CA ALA A 16 -5.277 -4.082 6.594 1.00 0.00 C ATOM 230 C ALA A 16 -3.769 -4.280 6.726 1.00 0.00 C ATOM 231 O ALA A 16 -3.309 -4.988 7.620 1.00 0.00 O ATOM 232 CB ALA A 16 -5.816 -4.911 5.423 1.00 0.00 C ATOM 0 H ALA A 16 -6.128 -2.481 5.555 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.753 -4.420 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.571 -5.962 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.898 -4.796 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.363 -4.566 4.494 1.00 0.00 H new ATOM 238 N PHE A 17 -3.009 -3.642 5.833 1.00 0.00 N ATOM 239 CA PHE A 17 -1.562 -3.751 5.794 1.00 0.00 C ATOM 240 C PHE A 17 -0.930 -3.244 7.091 1.00 0.00 C ATOM 241 O PHE A 17 -0.063 -3.910 7.651 1.00 0.00 O ATOM 242 CB PHE A 17 -1.035 -2.983 4.572 1.00 0.00 C ATOM 243 CG PHE A 17 0.197 -3.580 3.931 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.188 -4.886 3.406 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.386 -2.832 3.918 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.373 -5.440 2.889 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.587 -3.424 3.506 1.00 0.00 C ATOM 248 CZ PHE A 17 2.573 -4.710 2.948 1.00 0.00 C ATOM 0 H PHE A 17 -3.392 -3.030 5.112 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.283 -4.801 5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.827 -2.930 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.811 -1.959 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.726 -5.461 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.374 -1.797 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.361 -6.425 2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.520 -2.892 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.486 -5.141 2.563 1.00 0.00 H new ATOM 258 N SER A 18 -1.377 -2.074 7.562 1.00 0.00 N ATOM 259 CA SER A 18 -0.779 -1.332 8.666 1.00 0.00 C ATOM 260 C SER A 18 -0.859 -2.103 9.981 1.00 0.00 C ATOM 261 O SER A 18 0.029 -1.967 10.821 1.00 0.00 O ATOM 262 CB SER A 18 -1.413 0.056 8.803 1.00 0.00 C ATOM 263 OG SER A 18 -2.776 -0.034 9.154 1.00 0.00 O ATOM 0 H SER A 18 -2.193 -1.606 7.168 1.00 0.00 H new ATOM 0 HA SER A 18 0.278 -1.202 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.878 0.629 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.313 0.598 7.863 1.00 0.00 H new ATOM 0 HG SER A 18 -3.185 -0.791 8.685 1.00 0.00 H new ATOM 269 N ALA A 19 -1.917 -2.909 10.143 1.00 0.00 N ATOM 270 CA ALA A 19 -2.159 -3.723 11.324 1.00 0.00 C ATOM 271 C ALA A 19 -1.012 -4.695 11.613 1.00 0.00 C ATOM 272 O ALA A 19 -0.792 -5.039 12.774 1.00 0.00 O ATOM 273 CB ALA A 19 -3.476 -4.482 11.151 1.00 0.00 C ATOM 0 H ALA A 19 -2.642 -3.010 9.433 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.223 -3.056 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.662 -5.094 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.292 -3.771 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.414 -5.123 10.272 1.00 0.00 H new ATOM 279 N LEU A 20 -0.284 -5.148 10.581 1.00 0.00 N ATOM 280 CA LEU A 20 0.802 -6.107 10.777 1.00 0.00 C ATOM 281 C LEU A 20 2.013 -5.412 11.412 1.00 0.00 C ATOM 282 O LEU A 20 2.139 -4.193 11.297 1.00 0.00 O ATOM 283 CB LEU A 20 1.245 -6.732 9.441 1.00 0.00 C ATOM 284 CG LEU A 20 0.108 -7.157 8.498 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.724 -7.553 7.154 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.696 -8.322 9.084 1.00 0.00 C ATOM 0 H LEU A 20 -0.429 -4.866 9.612 1.00 0.00 H new ATOM 0 HA LEU A 20 0.428 -6.893 11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.879 -6.016 8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.861 -7.605 9.655 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.584 -6.325 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.066 -7.859 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.260 -6.702 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.417 -8.381 7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.492 -8.599 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.038 -9.177 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.131 -8.021 10.037 1.00 0.00 H new ATOM 298 N PRO A 21 2.936 -6.150 12.053 1.00 0.00 N ATOM 299 CA PRO A 21 4.216 -5.596 12.461 1.00 0.00 C ATOM 300 C PRO A 21 4.950 -5.042 11.240 1.00 0.00 C ATOM 301 O PRO A 21 4.930 -5.647 10.167 1.00 0.00 O ATOM 302 CB PRO A 21 5.005 -6.738 13.105 1.00 0.00 C ATOM 303 CG PRO A 21 4.258 -8.006 12.688 1.00 0.00 C ATOM 304 CD PRO A 21 2.821 -7.530 12.487 1.00 0.00 C ATOM 0 HA PRO A 21 4.093 -4.775 13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.037 -6.753 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.037 -6.635 14.190 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.671 -8.431 11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.321 -8.778 13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.306 -8.136 11.742 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.248 -7.606 13.411 1.00 0.00 H new ATOM 312 N ARG A 22 5.578 -3.876 11.422 1.00 0.00 N ATOM 313 CA ARG A 22 6.187 -3.086 10.364 1.00 0.00 C ATOM 314 C ARG A 22 7.194 -3.894 9.539 1.00 0.00 C ATOM 315 O ARG A 22 7.281 -3.706 8.327 1.00 0.00 O ATOM 316 CB ARG A 22 6.864 -1.858 10.992 1.00 0.00 C ATOM 317 CG ARG A 22 7.180 -0.771 9.956 1.00 0.00 C ATOM 318 CD ARG A 22 6.185 0.399 9.982 1.00 0.00 C ATOM 319 NE ARG A 22 4.785 -0.015 9.777 1.00 0.00 N ATOM 320 CZ ARG A 22 3.802 0.022 10.698 1.00 0.00 C ATOM 321 NH1 ARG A 22 4.060 0.239 11.996 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.535 -0.155 10.308 1.00 0.00 N ATOM 0 H ARG A 22 5.676 -3.448 12.343 1.00 0.00 H new ATOM 0 HA ARG A 22 5.403 -2.773 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.215 -1.443 11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.786 -2.167 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.185 -0.389 10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.181 -1.216 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.267 0.914 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.460 1.117 9.209 1.00 0.00 H new ATOM 0 HE ARG A 22 4.537 -0.362 8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.021 0.381 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.296 0.262 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.322 -0.316 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.782 -0.129 10.995 1.00 0.00 H new ATOM 336 N TRP A 23 7.952 -4.790 10.183 1.00 0.00 N ATOM 337 CA TRP A 23 8.942 -5.596 9.480 1.00 0.00 C ATOM 338 C TRP A 23 8.264 -6.488 8.437 1.00 0.00 C ATOM 339 O TRP A 23 8.720 -6.573 7.298 1.00 0.00 O ATOM 340 CB TRP A 23 9.793 -6.395 10.478 1.00 0.00 C ATOM 341 CG TRP A 23 9.190 -7.678 10.973 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.534 -7.835 12.141 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.139 -8.980 10.313 1.00 0.00 C ATOM 344 NE1 TRP A 23 8.027 -9.115 12.232 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.356 -9.859 11.117 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.626 -9.491 9.090 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.059 -11.172 10.721 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.335 -10.807 8.684 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.550 -11.646 9.494 1.00 0.00 C ATOM 0 H TRP A 23 7.895 -4.970 11.185 1.00 0.00 H new ATOM 0 HA TRP A 23 9.622 -4.937 8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.750 -6.623 10.009 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.003 -5.759 11.338 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.422 -7.070 12.895 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.481 -9.465 13.019 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.232 -8.861 8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.460 -11.811 11.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.718 -11.175 7.743 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.325 -12.652 9.173 1.00 0.00 H new ATOM 360 N LYS A 24 7.170 -7.147 8.839 1.00 0.00 N ATOM 361 CA LYS A 24 6.483 -8.129 8.023 1.00 0.00 C ATOM 362 C LYS A 24 5.857 -7.436 6.832 1.00 0.00 C ATOM 363 O LYS A 24 6.154 -7.768 5.692 1.00 0.00 O ATOM 364 CB LYS A 24 5.428 -8.864 8.860 1.00 0.00 C ATOM 365 CG LYS A 24 5.017 -10.175 8.178 1.00 0.00 C ATOM 366 CD LYS A 24 4.148 -11.051 9.086 1.00 0.00 C ATOM 367 CE LYS A 24 2.869 -10.329 9.522 1.00 0.00 C ATOM 368 NZ LYS A 24 1.957 -11.231 10.247 1.00 0.00 N ATOM 0 H LYS A 24 6.740 -7.004 9.753 1.00 0.00 H new ATOM 0 HA LYS A 24 7.193 -8.872 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.825 -9.073 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.553 -8.227 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.471 -9.950 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.911 -10.728 7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.885 -11.970 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.720 -11.340 9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.127 -9.483 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.362 -9.925 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.102 -10.709 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.691 -12.025 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.433 -11.597 11.096 1.00 0.00 H new ATOM 382 N GLN A 25 5.025 -6.449 7.152 1.00 0.00 N ATOM 383 CA GLN A 25 4.381 -5.495 6.277 1.00 0.00 C ATOM 384 C GLN A 25 5.269 -5.125 5.090 1.00 0.00 C ATOM 385 O GLN A 25 4.894 -5.343 3.943 1.00 0.00 O ATOM 386 CB GLN A 25 4.074 -4.298 7.174 1.00 0.00 C ATOM 387 CG GLN A 25 3.076 -3.290 6.624 1.00 0.00 C ATOM 388 CD GLN A 25 2.699 -2.315 7.735 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.868 -1.105 7.600 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.212 -2.852 8.855 1.00 0.00 N ATOM 0 H GLN A 25 4.765 -6.289 8.125 1.00 0.00 H new ATOM 0 HA GLN A 25 3.476 -5.897 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.696 -4.670 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.008 -3.777 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.509 -2.752 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.188 -3.802 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.088 -3.862 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.964 -2.253 9.642 1.00 0.00 H new ATOM 399 N GLN A 26 6.466 -4.594 5.359 1.00 0.00 N ATOM 400 CA GLN A 26 7.347 -4.114 4.313 1.00 0.00 C ATOM 401 C GLN A 26 7.979 -5.287 3.559 1.00 0.00 C ATOM 402 O GLN A 26 8.166 -5.205 2.346 1.00 0.00 O ATOM 403 CB GLN A 26 8.390 -3.194 4.957 1.00 0.00 C ATOM 404 CG GLN A 26 8.333 -1.793 4.346 1.00 0.00 C ATOM 405 CD GLN A 26 9.215 -1.639 3.109 1.00 0.00 C ATOM 406 OE1 GLN A 26 8.721 -1.329 2.029 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.527 -1.834 3.259 1.00 0.00 N ATOM 0 H GLN A 26 6.840 -4.489 6.302 1.00 0.00 H new ATOM 0 HA GLN A 26 6.791 -3.544 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.214 -3.134 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.386 -3.615 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.302 -1.562 4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.640 -1.064 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.903 -2.091 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.153 -1.726 2.461 1.00 0.00 H new ATOM 416 N ASN A 27 8.271 -6.388 4.264 1.00 0.00 N ATOM 417 CA ASN A 27 8.761 -7.607 3.643 1.00 0.00 C ATOM 418 C ASN A 27 7.746 -8.178 2.644 1.00 0.00 C ATOM 419 O ASN A 27 8.166 -8.699 1.617 1.00 0.00 O ATOM 420 CB ASN A 27 9.170 -8.636 4.706 1.00 0.00 C ATOM 421 CG ASN A 27 9.811 -9.871 4.075 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.698 -9.752 3.233 1.00 0.00 O ATOM 423 ND2 ASN A 27 9.363 -11.063 4.470 1.00 0.00 N ATOM 0 H ASN A 27 8.172 -6.450 5.277 1.00 0.00 H new ATOM 0 HA ASN A 27 9.655 -7.358 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.870 -8.179 5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.293 -8.934 5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.758 -11.914 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.625 -11.124 5.172 1.00 0.00 H new ATOM 430 N LEU A 28 6.430 -8.059 2.897 1.00 0.00 N ATOM 431 CA LEU A 28 5.409 -8.485 1.940 1.00 0.00 C ATOM 432 C LEU A 28 5.644 -7.801 0.591 1.00 0.00 C ATOM 433 O LEU A 28 5.693 -8.452 -0.450 1.00 0.00 O ATOM 434 CB LEU A 28 3.975 -8.151 2.403 1.00 0.00 C ATOM 435 CG LEU A 28 3.554 -8.539 3.825 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.071 -8.241 4.063 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.789 -10.014 4.083 1.00 0.00 C ATOM 0 H LEU A 28 6.054 -7.669 3.761 1.00 0.00 H new ATOM 0 HA LEU A 28 5.497 -9.568 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.836 -7.075 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.283 -8.631 1.710 1.00 0.00 H new ATOM 0 HG LEU A 28 4.163 -7.945 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.801 -8.526 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.887 -7.176 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.468 -8.809 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.481 -10.259 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.207 -10.604 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.848 -10.241 3.960 1.00 0.00 H new ATOM 449 N LYS A 29 5.775 -6.471 0.633 1.00 0.00 N ATOM 450 CA LYS A 29 5.903 -5.612 -0.533 1.00 0.00 C ATOM 451 C LYS A 29 7.199 -5.908 -1.293 1.00 0.00 C ATOM 452 O LYS A 29 7.209 -5.915 -2.523 1.00 0.00 O ATOM 453 CB LYS A 29 5.796 -4.156 -0.055 1.00 0.00 C ATOM 454 CG LYS A 29 5.472 -3.176 -1.188 1.00 0.00 C ATOM 455 CD LYS A 29 4.884 -1.863 -0.656 1.00 0.00 C ATOM 456 CE LYS A 29 5.773 -1.166 0.379 1.00 0.00 C ATOM 457 NZ LYS A 29 7.103 -0.854 -0.165 1.00 0.00 N ATOM 0 H LYS A 29 5.795 -5.953 1.511 1.00 0.00 H new ATOM 0 HA LYS A 29 5.104 -5.802 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.023 -4.087 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.736 -3.863 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.378 -2.965 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.765 -3.638 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.715 -1.185 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.911 -2.066 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.291 -0.246 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.880 -1.805 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.760 -0.656 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.453 -1.665 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.038 -0.020 -0.783 1.00 0.00 H new ATOM 471 N LYS A 30 8.280 -6.193 -0.559 1.00 0.00 N ATOM 472 CA LYS A 30 9.568 -6.539 -1.113 1.00 0.00 C ATOM 473 C LYS A 30 9.519 -7.901 -1.810 1.00 0.00 C ATOM 474 O LYS A 30 9.959 -8.020 -2.952 1.00 0.00 O ATOM 475 CB LYS A 30 10.585 -6.487 0.031 1.00 0.00 C ATOM 476 CG LYS A 30 12.000 -6.597 -0.524 1.00 0.00 C ATOM 477 CD LYS A 30 13.081 -6.429 0.554 1.00 0.00 C ATOM 478 CE LYS A 30 13.061 -5.065 1.262 1.00 0.00 C ATOM 479 NZ LYS A 30 13.112 -3.937 0.313 1.00 0.00 N ATOM 0 H LYS A 30 8.270 -6.186 0.461 1.00 0.00 H new ATOM 0 HA LYS A 30 9.866 -5.832 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.474 -5.555 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.397 -7.299 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.122 -7.568 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.142 -5.840 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.959 -7.214 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.060 -6.573 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.158 -4.986 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.909 -5.001 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.284 -3.053 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.881 -4.092 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.207 -3.869 -0.195 1.00 0.00 H new ATOM 493 N GLU A 31 8.967 -8.917 -1.136 1.00 0.00 N ATOM 494 CA GLU A 31 8.798 -10.264 -1.667 1.00 0.00 C ATOM 495 C GLU A 31 7.960 -10.249 -2.947 1.00 0.00 C ATOM 496 O GLU A 31 8.302 -10.929 -3.912 1.00 0.00 O ATOM 497 CB GLU A 31 8.150 -11.166 -0.610 1.00 0.00 C ATOM 498 CG GLU A 31 9.145 -11.501 0.509 1.00 0.00 C ATOM 499 CD GLU A 31 8.476 -12.210 1.685 1.00 0.00 C ATOM 500 OE1 GLU A 31 9.011 -13.203 2.173 1.00 0.00 O ATOM 501 OE2 GLU A 31 7.310 -11.667 2.138 1.00 0.00 O ATOM 0 H GLU A 31 8.619 -8.817 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 31 9.782 -10.662 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.276 -10.669 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.799 -12.086 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.938 -12.133 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.616 -10.583 0.861 1.00 0.00 H new ATOM 509 N LYS A 32 6.877 -9.460 -2.965 1.00 0.00 N ATOM 510 CA LYS A 32 6.018 -9.303 -4.130 1.00 0.00 C ATOM 511 C LYS A 32 6.748 -8.636 -5.306 1.00 0.00 C ATOM 512 O LYS A 32 6.294 -8.745 -6.444 1.00 0.00 O ATOM 513 CB LYS A 32 4.764 -8.517 -3.728 1.00 0.00 C ATOM 514 CG LYS A 32 3.623 -8.710 -4.736 1.00 0.00 C ATOM 515 CD LYS A 32 2.322 -8.126 -4.175 1.00 0.00 C ATOM 516 CE LYS A 32 1.132 -8.353 -5.114 1.00 0.00 C ATOM 517 NZ LYS A 32 1.218 -7.539 -6.341 1.00 0.00 N ATOM 0 H LYS A 32 6.576 -8.911 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 32 5.726 -10.293 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.435 -8.839 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.008 -7.457 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.873 -8.223 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.492 -9.771 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.110 -8.580 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.449 -7.057 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.083 -9.408 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.208 -8.115 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.825 -8.075 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.677 -6.660 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.213 -7.308 -6.535 1.00 0.00 H new ATOM 531 N GLY A 33 7.868 -7.951 -5.041 1.00 0.00 N ATOM 532 CA GLY A 33 8.680 -7.299 -6.055 1.00 0.00 C ATOM 533 C GLY A 33 8.235 -5.863 -6.322 1.00 0.00 C ATOM 534 O GLY A 33 8.638 -5.284 -7.328 1.00 0.00 O ATOM 0 H GLY A 33 8.235 -7.837 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.723 -7.300 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.628 -7.871 -6.981 1.00 0.00 H new ATOM 538 N LEU A 34 7.423 -5.280 -5.430 1.00 0.00 N ATOM 539 CA LEU A 34 7.033 -3.878 -5.513 1.00 0.00 C ATOM 540 C LEU A 34 8.202 -3.034 -5.004 1.00 0.00 C ATOM 541 O LEU A 34 8.874 -2.375 -5.795 1.00 0.00 O ATOM 542 CB LEU A 34 5.753 -3.646 -4.696 1.00 0.00 C ATOM 543 CG LEU A 34 4.454 -3.995 -5.442 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.501 -5.345 -6.163 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.302 -4.012 -4.429 1.00 0.00 C ATOM 0 H LEU A 34 7.021 -5.773 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 34 6.811 -3.589 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.805 -4.241 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.714 -2.600 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 34 4.312 -3.236 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.550 -5.522 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.305 -5.337 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.681 -6.139 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.371 -4.258 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.503 -4.760 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.212 -3.030 -3.964 1.00 0.00 H new ATOM 557 N PHE A 35 8.457 -3.080 -3.692 1.00 0.00 N ATOM 558 CA PHE A 35 9.618 -2.463 -3.060 1.00 0.00 C ATOM 559 C PHE A 35 9.777 -3.006 -1.641 1.00 0.00 C ATOM 560 O PHE A 35 10.908 -3.416 -1.303 1.00 0.00 O ATOM 561 CB PHE A 35 9.489 -0.933 -3.044 1.00 0.00 C ATOM 562 CG PHE A 35 10.670 -0.230 -2.400 1.00 0.00 C ATOM 563 CD1 PHE A 35 11.785 0.126 -3.181 1.00 0.00 C ATOM 564 CD2 PHE A 35 10.667 0.052 -1.020 1.00 0.00 C ATOM 565 CE1 PHE A 35 12.890 0.761 -2.587 1.00 0.00 C ATOM 566 CE2 PHE A 35 11.772 0.685 -0.426 1.00 0.00 C ATOM 567 CZ PHE A 35 12.884 1.041 -1.209 1.00 0.00 C ATOM 568 OXT PHE A 35 8.766 -2.980 -0.906 1.00 0.00 O ATOM 0 H PHE A 35 7.846 -3.558 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 35 10.507 -2.713 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.378 -0.575 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.579 -0.659 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.792 -0.089 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.813 -0.219 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.744 1.034 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.767 0.898 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.733 1.529 -0.753 1.00 0.00 H new