USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=7 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= 0.815 K(o=3,f=-7.8!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 164:sc= 2.14 (180deg=1.16) USER MOD Single : A 7 THR OG1 : rot -82:sc= 0.58 USER MOD Single : A 8 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 12 MET CE :methyl 161:sc= 0 (180deg=-0.452) USER MOD Single : A 13 THR OG1 : rot 120:sc= 0.02 USER MOD Single : A 18 SER OG : rot -30:sc= 0.674 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.681 K(o=-0.68,f=-3.4!) USER MOD Single : A 27 ASN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.72 (180deg=1.7) USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= 0.799 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -0.075 6.092 -0.340 1.00 0.00 N ATOM 38 CA ILE A 3 -1.187 5.171 -0.227 1.00 0.00 C ATOM 39 C ILE A 3 -1.656 4.730 -1.622 1.00 0.00 C ATOM 40 O ILE A 3 -2.102 3.599 -1.800 1.00 0.00 O ATOM 41 CB ILE A 3 -2.273 5.925 0.559 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.209 5.425 2.001 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.700 5.660 0.048 1.00 0.00 C ATOM 44 CD1 ILE A 3 -0.913 5.824 2.715 1.00 0.00 C ATOM 0 HA ILE A 3 -0.920 4.251 0.294 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.080 6.992 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.060 5.821 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.302 4.339 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.413 6.224 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.777 5.972 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.923 4.596 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.927 5.440 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.060 5.405 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.830 6.911 2.737 1.00 0.00 H new ATOM 56 N GLU A 4 -1.554 5.625 -2.610 1.00 0.00 N ATOM 57 CA GLU A 4 -1.996 5.376 -3.968 1.00 0.00 C ATOM 58 C GLU A 4 -1.168 4.261 -4.599 1.00 0.00 C ATOM 59 O GLU A 4 -1.728 3.312 -5.143 1.00 0.00 O ATOM 60 CB GLU A 4 -1.894 6.667 -4.794 1.00 0.00 C ATOM 61 CG GLU A 4 -3.076 7.616 -4.544 1.00 0.00 C ATOM 62 CD GLU A 4 -3.075 8.228 -3.142 1.00 0.00 C ATOM 63 OE1 GLU A 4 -2.007 8.418 -2.560 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.298 8.523 -2.619 1.00 0.00 O ATOM 0 H GLU A 4 -1.155 6.554 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.038 5.055 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.963 7.179 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.851 6.415 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.052 8.417 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.008 7.071 -4.694 1.00 0.00 H new ATOM 72 N ASP A 5 0.163 4.367 -4.521 1.00 0.00 N ATOM 73 CA ASP A 5 1.044 3.318 -5.007 1.00 0.00 C ATOM 74 C ASP A 5 0.767 2.013 -4.269 1.00 0.00 C ATOM 75 O ASP A 5 0.704 0.967 -4.910 1.00 0.00 O ATOM 76 CB ASP A 5 2.510 3.729 -4.857 1.00 0.00 C ATOM 77 CG ASP A 5 3.449 2.633 -5.362 1.00 0.00 C ATOM 78 OD1 ASP A 5 3.907 1.807 -4.571 1.00 0.00 O ATOM 79 OD2 ASP A 5 3.709 2.645 -6.699 1.00 0.00 O ATOM 0 H ASP A 5 0.647 5.172 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 5 0.847 3.162 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.690 4.650 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.725 3.941 -3.810 1.00 0.00 H new ATOM 85 N PHE A 6 0.584 2.078 -2.944 1.00 0.00 N ATOM 86 CA PHE A 6 0.266 0.898 -2.154 1.00 0.00 C ATOM 87 C PHE A 6 -0.944 0.160 -2.731 1.00 0.00 C ATOM 88 O PHE A 6 -0.817 -0.984 -3.158 1.00 0.00 O ATOM 89 CB PHE A 6 0.020 1.232 -0.674 1.00 0.00 C ATOM 90 CG PHE A 6 -0.278 -0.034 0.098 1.00 0.00 C ATOM 91 CD1 PHE A 6 0.730 -0.997 0.273 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.590 -0.319 0.519 1.00 0.00 C ATOM 93 CE1 PHE A 6 0.381 -2.305 0.629 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.931 -1.629 0.895 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.952 -2.633 0.910 1.00 0.00 C ATOM 0 H PHE A 6 0.652 2.940 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 6 1.139 0.247 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.896 1.727 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.814 1.928 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.767 -0.730 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.331 0.466 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.144 -3.067 0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.948 -1.863 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.224 -3.653 1.137 1.00 0.00 H new ATOM 105 N THR A 7 -2.111 0.812 -2.739 1.00 0.00 N ATOM 106 CA THR A 7 -3.374 0.221 -3.126 1.00 0.00 C ATOM 107 C THR A 7 -3.310 -0.360 -4.536 1.00 0.00 C ATOM 108 O THR A 7 -3.715 -1.501 -4.746 1.00 0.00 O ATOM 109 CB THR A 7 -4.465 1.292 -3.010 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.076 2.503 -3.625 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.844 1.558 -1.551 1.00 0.00 C ATOM 0 H THR A 7 -2.194 1.792 -2.467 1.00 0.00 H new ATOM 0 HA THR A 7 -3.607 -0.611 -2.461 1.00 0.00 H new ATOM 0 HB THR A 7 -5.338 0.900 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.514 3.017 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.620 2.323 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.216 0.639 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.966 1.902 -1.004 1.00 0.00 H new ATOM 119 N GLN A 8 -2.788 0.414 -5.494 1.00 0.00 N ATOM 120 CA GLN A 8 -2.681 -0.011 -6.883 1.00 0.00 C ATOM 121 C GLN A 8 -1.753 -1.216 -7.036 1.00 0.00 C ATOM 122 O GLN A 8 -2.072 -2.147 -7.775 1.00 0.00 O ATOM 123 CB GLN A 8 -2.197 1.161 -7.745 1.00 0.00 C ATOM 124 CG GLN A 8 -3.264 2.261 -7.844 1.00 0.00 C ATOM 125 CD GLN A 8 -2.733 3.480 -8.592 1.00 0.00 C ATOM 126 OE1 GLN A 8 -3.153 3.761 -9.710 1.00 0.00 O ATOM 127 NE2 GLN A 8 -1.806 4.209 -7.969 1.00 0.00 N ATOM 0 H GLN A 8 -2.429 1.353 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.669 -0.323 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.283 1.575 -7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.948 0.802 -8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.144 1.872 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.581 2.555 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.485 3.939 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.418 5.036 -8.422 1.00 0.00 H new ATOM 136 N ALA A 9 -0.603 -1.200 -6.354 1.00 0.00 N ATOM 137 CA ALA A 9 0.418 -2.227 -6.491 1.00 0.00 C ATOM 138 C ALA A 9 0.006 -3.531 -5.805 1.00 0.00 C ATOM 139 O ALA A 9 0.346 -4.607 -6.292 1.00 0.00 O ATOM 140 CB ALA A 9 1.744 -1.709 -5.927 1.00 0.00 C ATOM 0 H ALA A 9 -0.359 -0.466 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 9 0.540 -2.450 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.509 -2.479 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.050 -0.818 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.619 -1.461 -4.873 1.00 0.00 H new ATOM 146 N PHE A 10 -0.701 -3.436 -4.670 1.00 0.00 N ATOM 147 CA PHE A 10 -1.006 -4.583 -3.822 1.00 0.00 C ATOM 148 C PHE A 10 -2.380 -5.173 -4.110 1.00 0.00 C ATOM 149 O PHE A 10 -2.526 -6.396 -4.125 1.00 0.00 O ATOM 150 CB PHE A 10 -0.892 -4.214 -2.335 1.00 0.00 C ATOM 151 CG PHE A 10 0.109 -5.077 -1.605 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.246 -6.366 -1.169 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.412 -4.599 -1.400 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.734 -7.210 -0.620 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.362 -5.410 -0.765 1.00 0.00 C ATOM 156 CZ PHE A 10 2.050 -6.744 -0.462 1.00 0.00 C ATOM 0 H PHE A 10 -1.076 -2.555 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.266 -5.347 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.601 -3.168 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.869 -4.315 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.268 -6.706 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.682 -3.607 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.476 -8.215 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.332 -5.009 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.821 -7.412 -0.108 1.00 0.00 H new ATOM 166 N GLY A 11 -3.385 -4.309 -4.279 1.00 0.00 N ATOM 167 CA GLY A 11 -4.780 -4.718 -4.342 1.00 0.00 C ATOM 168 C GLY A 11 -5.349 -4.982 -2.943 1.00 0.00 C ATOM 169 O GLY A 11 -6.263 -5.791 -2.802 1.00 0.00 O ATOM 0 H GLY A 11 -3.247 -3.303 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.366 -3.942 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.870 -5.619 -4.949 1.00 0.00 H new ATOM 173 N MET A 12 -4.799 -4.317 -1.914 1.00 0.00 N ATOM 174 CA MET A 12 -5.252 -4.390 -0.528 1.00 0.00 C ATOM 175 C MET A 12 -5.363 -2.972 0.028 1.00 0.00 C ATOM 176 O MET A 12 -4.890 -2.011 -0.579 1.00 0.00 O ATOM 177 CB MET A 12 -4.283 -5.262 0.290 1.00 0.00 C ATOM 178 CG MET A 12 -4.701 -5.552 1.734 1.00 0.00 C ATOM 179 SD MET A 12 -3.967 -7.026 2.508 1.00 0.00 S ATOM 180 CE MET A 12 -2.213 -6.848 2.085 1.00 0.00 C ATOM 0 H MET A 12 -4.000 -3.695 -2.035 1.00 0.00 H new ATOM 0 HA MET A 12 -6.235 -4.857 -0.467 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.154 -6.212 -0.228 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.309 -4.773 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.448 -4.684 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.786 -5.656 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.613 -7.465 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.053 -7.167 1.055 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.917 -5.804 2.191 1.00 0.00 H new ATOM 190 N THR A 13 -5.996 -2.862 1.197 1.00 0.00 N ATOM 191 CA THR A 13 -6.162 -1.624 1.944 1.00 0.00 C ATOM 192 C THR A 13 -4.926 -1.321 2.791 1.00 0.00 C ATOM 193 O THR A 13 -4.338 -2.233 3.373 1.00 0.00 O ATOM 194 CB THR A 13 -7.462 -1.639 2.784 1.00 0.00 C ATOM 195 OG1 THR A 13 -7.254 -1.097 4.063 1.00 0.00 O ATOM 196 CG2 THR A 13 -8.066 -3.029 3.017 1.00 0.00 C ATOM 0 H THR A 13 -6.421 -3.664 1.662 1.00 0.00 H new ATOM 0 HA THR A 13 -6.264 -0.810 1.226 1.00 0.00 H new ATOM 0 HB THR A 13 -8.151 -1.047 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.836 -0.318 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.973 -2.936 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.309 -3.486 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.346 -3.655 3.545 1.00 0.00 H new ATOM 204 N PRO A 14 -4.540 -0.039 2.901 1.00 0.00 N ATOM 205 CA PRO A 14 -3.495 0.385 3.810 1.00 0.00 C ATOM 206 C PRO A 14 -3.943 0.216 5.264 1.00 0.00 C ATOM 207 O PRO A 14 -3.084 0.164 6.140 1.00 0.00 O ATOM 208 CB PRO A 14 -3.216 1.847 3.460 1.00 0.00 C ATOM 209 CG PRO A 14 -4.566 2.345 2.953 1.00 0.00 C ATOM 210 CD PRO A 14 -5.159 1.113 2.268 1.00 0.00 C ATOM 0 HA PRO A 14 -2.591 -0.216 3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.878 2.412 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.441 1.939 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.198 2.695 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.453 3.177 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.242 1.086 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.954 1.126 1.198 1.00 0.00 H new ATOM 218 N ALA A 15 -5.253 0.095 5.539 1.00 0.00 N ATOM 219 CA ALA A 15 -5.711 -0.202 6.893 1.00 0.00 C ATOM 220 C ALA A 15 -5.277 -1.618 7.278 1.00 0.00 C ATOM 221 O ALA A 15 -4.682 -1.812 8.337 1.00 0.00 O ATOM 222 CB ALA A 15 -7.227 -0.018 7.026 1.00 0.00 C ATOM 0 H ALA A 15 -5.997 0.198 4.849 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.251 0.504 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.533 -0.248 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.490 1.013 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.737 -0.689 6.335 1.00 0.00 H new ATOM 228 N ALA A 16 -5.531 -2.592 6.393 1.00 0.00 N ATOM 229 CA ALA A 16 -5.066 -3.964 6.563 1.00 0.00 C ATOM 230 C ALA A 16 -3.549 -4.007 6.725 1.00 0.00 C ATOM 231 O ALA A 16 -3.038 -4.669 7.627 1.00 0.00 O ATOM 232 CB ALA A 16 -5.487 -4.822 5.363 1.00 0.00 C ATOM 0 H ALA A 16 -6.067 -2.444 5.538 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.523 -4.367 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.133 -5.843 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.574 -4.823 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.054 -4.410 4.451 1.00 0.00 H new ATOM 238 N PHE A 17 -2.839 -3.297 5.845 1.00 0.00 N ATOM 239 CA PHE A 17 -1.387 -3.285 5.828 1.00 0.00 C ATOM 240 C PHE A 17 -0.823 -2.713 7.128 1.00 0.00 C ATOM 241 O PHE A 17 0.097 -3.287 7.703 1.00 0.00 O ATOM 242 CB PHE A 17 -0.901 -2.501 4.597 1.00 0.00 C ATOM 243 CG PHE A 17 0.334 -3.068 3.927 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.309 -4.393 3.457 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.478 -2.276 3.715 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.382 -4.899 2.711 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.592 -2.816 3.046 1.00 0.00 C ATOM 248 CZ PHE A 17 2.545 -4.133 2.554 1.00 0.00 C ATOM 0 H PHE A 17 -3.264 -2.714 5.124 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.019 -4.308 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.709 -2.464 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.695 -1.474 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.541 -5.024 3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.501 -1.255 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.313 -5.877 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.482 -2.220 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.405 -4.554 2.055 1.00 0.00 H new ATOM 258 N SER A 18 -1.389 -1.592 7.594 1.00 0.00 N ATOM 259 CA SER A 18 -0.875 -0.814 8.716 1.00 0.00 C ATOM 260 C SER A 18 -0.918 -1.600 10.025 1.00 0.00 C ATOM 261 O SER A 18 -0.058 -1.398 10.882 1.00 0.00 O ATOM 262 CB SER A 18 -1.623 0.516 8.851 1.00 0.00 C ATOM 263 OG SER A 18 -2.991 0.307 9.128 1.00 0.00 O ATOM 0 H SER A 18 -2.237 -1.196 7.188 1.00 0.00 H new ATOM 0 HA SER A 18 0.172 -0.598 8.504 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.174 1.109 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.519 1.090 7.930 1.00 0.00 H new ATOM 0 HG SER A 18 -3.283 -0.535 8.719 1.00 0.00 H new ATOM 269 N ALA A 19 -1.904 -2.494 10.168 1.00 0.00 N ATOM 270 CA ALA A 19 -2.072 -3.339 11.341 1.00 0.00 C ATOM 271 C ALA A 19 -0.826 -4.180 11.644 1.00 0.00 C ATOM 272 O ALA A 19 -0.589 -4.511 12.804 1.00 0.00 O ATOM 273 CB ALA A 19 -3.291 -4.242 11.141 1.00 0.00 C ATOM 0 H ALA A 19 -2.617 -2.648 9.455 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.225 -2.689 12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.421 -4.877 12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.180 -3.627 11.003 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.141 -4.866 10.260 1.00 0.00 H new ATOM 279 N LEU A 20 -0.036 -4.533 10.620 1.00 0.00 N ATOM 280 CA LEU A 20 1.135 -5.386 10.800 1.00 0.00 C ATOM 281 C LEU A 20 2.319 -4.560 11.320 1.00 0.00 C ATOM 282 O LEU A 20 2.379 -3.362 11.048 1.00 0.00 O ATOM 283 CB LEU A 20 1.550 -6.043 9.472 1.00 0.00 C ATOM 284 CG LEU A 20 0.405 -6.515 8.562 1.00 0.00 C ATOM 285 CD1 LEU A 20 1.005 -6.945 7.221 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.384 -7.669 9.188 1.00 0.00 C ATOM 0 H LEU A 20 -0.192 -4.237 9.657 1.00 0.00 H new ATOM 0 HA LEU A 20 0.869 -6.160 11.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.160 -5.333 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.184 -6.900 9.697 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.297 -5.694 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.209 -7.284 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.521 -6.100 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.713 -7.758 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.184 -7.972 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.283 -8.513 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.814 -7.344 10.136 1.00 0.00 H new ATOM 298 N PRO A 21 3.295 -5.166 12.018 1.00 0.00 N ATOM 299 CA PRO A 21 4.551 -4.502 12.338 1.00 0.00 C ATOM 300 C PRO A 21 5.266 -4.044 11.068 1.00 0.00 C ATOM 301 O PRO A 21 5.226 -4.726 10.044 1.00 0.00 O ATOM 302 CB PRO A 21 5.408 -5.522 13.093 1.00 0.00 C ATOM 303 CG PRO A 21 4.736 -6.867 12.812 1.00 0.00 C ATOM 304 CD PRO A 21 3.270 -6.497 12.595 1.00 0.00 C ATOM 0 HA PRO A 21 4.372 -3.612 12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.440 -5.512 12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.434 -5.306 14.161 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.161 -7.352 11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.856 -7.557 13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.779 -7.206 11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.718 -6.509 13.535 1.00 0.00 H new ATOM 312 N ARG A 22 5.926 -2.885 11.166 1.00 0.00 N ATOM 313 CA ARG A 22 6.640 -2.216 10.089 1.00 0.00 C ATOM 314 C ARG A 22 7.553 -3.165 9.319 1.00 0.00 C ATOM 315 O ARG A 22 7.526 -3.166 8.089 1.00 0.00 O ATOM 316 CB ARG A 22 7.428 -1.044 10.683 1.00 0.00 C ATOM 317 CG ARG A 22 8.296 -0.285 9.668 1.00 0.00 C ATOM 318 CD ARG A 22 7.546 0.194 8.418 1.00 0.00 C ATOM 319 NE ARG A 22 6.275 0.847 8.761 1.00 0.00 N ATOM 320 CZ ARG A 22 5.150 0.783 8.028 1.00 0.00 C ATOM 321 NH1 ARG A 22 5.150 0.239 6.802 1.00 0.00 N ATOM 322 NH2 ARG A 22 4.005 1.260 8.530 1.00 0.00 N ATOM 0 H ARG A 22 5.975 -2.368 12.044 1.00 0.00 H new ATOM 0 HA ARG A 22 5.915 -1.847 9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.727 -0.344 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.068 -1.420 11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.739 0.579 10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.118 -0.931 9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.174 0.890 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.353 -0.655 7.762 1.00 0.00 H new ATOM 0 HE ARG A 22 6.244 1.392 9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.014 -0.136 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.286 0.200 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.989 1.669 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.148 1.214 7.979 1.00 0.00 H new ATOM 336 N TRP A 23 8.362 -3.962 10.028 1.00 0.00 N ATOM 337 CA TRP A 23 9.333 -4.833 9.379 1.00 0.00 C ATOM 338 C TRP A 23 8.638 -5.780 8.400 1.00 0.00 C ATOM 339 O TRP A 23 9.086 -5.948 7.267 1.00 0.00 O ATOM 340 CB TRP A 23 10.172 -5.583 10.424 1.00 0.00 C ATOM 341 CG TRP A 23 9.544 -6.819 10.999 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.880 -6.887 12.172 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.469 -8.163 10.427 1.00 0.00 C ATOM 344 NE1 TRP A 23 8.363 -8.153 12.354 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.683 -8.978 11.294 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.939 -8.762 9.236 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.375 -10.313 10.994 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.631 -10.098 8.923 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.849 -10.873 9.798 1.00 0.00 C ATOM 0 H TRP A 23 8.359 -4.017 11.046 1.00 0.00 H new ATOM 0 HA TRP A 23 10.022 -4.222 8.797 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.123 -5.859 9.969 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.397 -4.898 11.242 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.769 -6.068 12.868 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.816 -8.442 13.165 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.545 -8.184 8.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.780 -10.903 11.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.998 -10.532 8.004 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.614 -11.897 9.550 1.00 0.00 H new ATOM 360 N LYS A 24 7.529 -6.379 8.849 1.00 0.00 N ATOM 361 CA LYS A 24 6.803 -7.375 8.091 1.00 0.00 C ATOM 362 C LYS A 24 6.144 -6.715 6.899 1.00 0.00 C ATOM 363 O LYS A 24 6.372 -7.113 5.763 1.00 0.00 O ATOM 364 CB LYS A 24 5.764 -8.057 8.989 1.00 0.00 C ATOM 365 CG LYS A 24 5.311 -9.386 8.377 1.00 0.00 C ATOM 366 CD LYS A 24 4.455 -10.201 9.353 1.00 0.00 C ATOM 367 CE LYS A 24 3.229 -9.411 9.817 1.00 0.00 C ATOM 368 NZ LYS A 24 2.322 -10.242 10.628 1.00 0.00 N ATOM 0 H LYS A 24 7.116 -6.176 9.759 1.00 0.00 H new ATOM 0 HA LYS A 24 7.491 -8.139 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.189 -8.232 9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.904 -7.400 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.741 -9.192 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.185 -9.969 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.133 -11.125 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.056 -10.483 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.551 -8.548 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.693 -9.027 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.503 -9.674 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.995 -11.052 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.827 -10.587 11.469 1.00 0.00 H new ATOM 382 N GLN A 25 5.348 -5.691 7.199 1.00 0.00 N ATOM 383 CA GLN A 25 4.630 -4.837 6.280 1.00 0.00 C ATOM 384 C GLN A 25 5.486 -4.482 5.066 1.00 0.00 C ATOM 385 O GLN A 25 5.080 -4.715 3.932 1.00 0.00 O ATOM 386 CB GLN A 25 4.208 -3.613 7.092 1.00 0.00 C ATOM 387 CG GLN A 25 3.114 -2.782 6.431 1.00 0.00 C ATOM 388 CD GLN A 25 2.613 -1.674 7.354 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.394 -0.551 6.906 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.440 -1.973 8.646 1.00 0.00 N ATOM 0 H GLN A 25 5.181 -5.423 8.169 1.00 0.00 H new ATOM 0 HA GLN A 25 3.754 -5.333 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.860 -3.941 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.080 -2.981 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.497 -2.343 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.282 -3.429 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.632 -2.917 8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.116 -1.257 9.296 1.00 0.00 H new ATOM 399 N GLN A 26 6.691 -3.953 5.292 1.00 0.00 N ATOM 400 CA GLN A 26 7.558 -3.514 4.216 1.00 0.00 C ATOM 401 C GLN A 26 8.202 -4.715 3.515 1.00 0.00 C ATOM 402 O GLN A 26 8.346 -4.701 2.293 1.00 0.00 O ATOM 403 CB GLN A 26 8.590 -2.550 4.812 1.00 0.00 C ATOM 404 CG GLN A 26 8.512 -1.183 4.136 1.00 0.00 C ATOM 405 CD GLN A 26 9.434 -1.096 2.925 1.00 0.00 C ATOM 406 OE1 GLN A 26 8.979 -1.150 1.786 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.739 -0.962 3.173 1.00 0.00 N ATOM 0 H GLN A 26 7.084 -3.821 6.224 1.00 0.00 H new ATOM 0 HA GLN A 26 6.991 -2.991 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.416 -2.441 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.592 -2.963 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.485 -0.989 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.780 -0.407 4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.074 -0.921 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.401 -0.900 2.400 1.00 0.00 H new ATOM 416 N ASN A 27 8.544 -5.769 4.271 1.00 0.00 N ATOM 417 CA ASN A 27 8.993 -7.033 3.710 1.00 0.00 C ATOM 418 C ASN A 27 7.958 -7.624 2.743 1.00 0.00 C ATOM 419 O ASN A 27 8.364 -8.257 1.774 1.00 0.00 O ATOM 420 CB ASN A 27 9.380 -8.017 4.823 1.00 0.00 C ATOM 421 CG ASN A 27 9.752 -9.385 4.255 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.827 -9.552 3.684 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.854 -10.361 4.395 1.00 0.00 N ATOM 0 H ASN A 27 8.514 -5.759 5.291 1.00 0.00 H new ATOM 0 HA ASN A 27 9.889 -6.841 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.221 -7.616 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.549 -8.125 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.048 -11.290 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.973 -10.179 4.876 1.00 0.00 H new ATOM 430 N LEU A 28 6.649 -7.411 2.958 1.00 0.00 N ATOM 431 CA LEU A 28 5.623 -7.875 2.025 1.00 0.00 C ATOM 432 C LEU A 28 5.848 -7.249 0.644 1.00 0.00 C ATOM 433 O LEU A 28 5.931 -7.959 -0.355 1.00 0.00 O ATOM 434 CB LEU A 28 4.190 -7.568 2.500 1.00 0.00 C ATOM 435 CG LEU A 28 3.829 -7.923 3.946 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.331 -7.757 4.207 1.00 0.00 C ATOM 437 CD2 LEU A 28 4.228 -9.352 4.273 1.00 0.00 C ATOM 0 H LEU A 28 6.282 -6.919 3.773 1.00 0.00 H new ATOM 0 HA LEU A 28 5.719 -8.959 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.012 -6.502 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.498 -8.095 1.842 1.00 0.00 H new ATOM 0 HG LEU A 28 4.381 -7.234 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.111 -8.017 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.042 -6.722 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.771 -8.413 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.960 -9.577 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.706 -10.037 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.304 -9.468 4.144 1.00 0.00 H new ATOM 449 N LYS A 29 5.959 -5.916 0.603 1.00 0.00 N ATOM 450 CA LYS A 29 6.197 -5.132 -0.603 1.00 0.00 C ATOM 451 C LYS A 29 7.451 -5.625 -1.329 1.00 0.00 C ATOM 452 O LYS A 29 7.432 -5.832 -2.542 1.00 0.00 O ATOM 453 CB LYS A 29 6.328 -3.658 -0.185 1.00 0.00 C ATOM 454 CG LYS A 29 6.079 -2.636 -1.300 1.00 0.00 C ATOM 455 CD LYS A 29 4.581 -2.421 -1.560 1.00 0.00 C ATOM 456 CE LYS A 29 4.293 -1.043 -2.171 1.00 0.00 C ATOM 457 NZ LYS A 29 4.809 -0.897 -3.544 1.00 0.00 N ATOM 0 H LYS A 29 5.882 -5.339 1.440 1.00 0.00 H new ATOM 0 HA LYS A 29 5.368 -5.242 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.627 -3.464 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.330 -3.498 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.540 -1.686 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.561 -2.975 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.215 -3.198 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.033 -2.524 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.216 -0.872 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.736 -0.273 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.659 0.079 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.826 -1.114 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.307 -1.553 -4.175 1.00 0.00 H new ATOM 471 N LYS A 30 8.531 -5.819 -0.567 1.00 0.00 N ATOM 472 CA LYS A 30 9.825 -6.253 -1.065 1.00 0.00 C ATOM 473 C LYS A 30 9.751 -7.660 -1.667 1.00 0.00 C ATOM 474 O LYS A 30 10.067 -7.834 -2.842 1.00 0.00 O ATOM 475 CB LYS A 30 10.861 -6.149 0.072 1.00 0.00 C ATOM 476 CG LYS A 30 11.712 -4.876 -0.028 1.00 0.00 C ATOM 477 CD LYS A 30 10.889 -3.584 0.069 1.00 0.00 C ATOM 478 CE LYS A 30 11.786 -2.367 -0.176 1.00 0.00 C ATOM 479 NZ LYS A 30 11.003 -1.125 -0.294 1.00 0.00 N ATOM 0 H LYS A 30 8.521 -5.672 0.442 1.00 0.00 H new ATOM 0 HA LYS A 30 10.141 -5.600 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.346 -6.164 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.513 -7.022 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.458 -4.883 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.253 -4.883 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.081 -3.603 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.426 -3.512 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.499 -2.271 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.365 -2.520 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.634 -0.305 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.545 -1.090 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.276 -1.101 0.449 1.00 0.00 H new ATOM 493 N GLU A 31 9.347 -8.659 -0.874 1.00 0.00 N ATOM 494 CA GLU A 31 9.356 -10.061 -1.279 1.00 0.00 C ATOM 495 C GLU A 31 8.369 -10.337 -2.417 1.00 0.00 C ATOM 496 O GLU A 31 8.649 -11.170 -3.276 1.00 0.00 O ATOM 497 CB GLU A 31 9.124 -10.974 -0.064 1.00 0.00 C ATOM 498 CG GLU A 31 7.655 -11.054 0.378 1.00 0.00 C ATOM 499 CD GLU A 31 7.482 -11.721 1.741 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.424 -12.316 2.263 1.00 0.00 O ATOM 501 OE2 GLU A 31 6.246 -11.599 2.304 1.00 0.00 O ATOM 0 H GLU A 31 9.002 -8.511 0.075 1.00 0.00 H new ATOM 0 HA GLU A 31 10.344 -10.291 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.478 -11.977 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.726 -10.613 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.236 -10.048 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.086 -11.609 -0.368 1.00 0.00 H new ATOM 509 N LYS A 32 7.232 -9.626 -2.444 1.00 0.00 N ATOM 510 CA LYS A 32 6.265 -9.706 -3.531 1.00 0.00 C ATOM 511 C LYS A 32 6.854 -9.192 -4.850 1.00 0.00 C ATOM 512 O LYS A 32 6.354 -9.541 -5.918 1.00 0.00 O ATOM 513 CB LYS A 32 5.006 -8.921 -3.142 1.00 0.00 C ATOM 514 CG LYS A 32 3.827 -9.205 -4.082 1.00 0.00 C ATOM 515 CD LYS A 32 2.532 -8.681 -3.454 1.00 0.00 C ATOM 516 CE LYS A 32 1.372 -8.750 -4.453 1.00 0.00 C ATOM 517 NZ LYS A 32 0.123 -8.232 -3.869 1.00 0.00 N ATOM 0 H LYS A 32 6.963 -8.977 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 32 6.002 -10.751 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.723 -9.176 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.228 -7.854 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.995 -8.727 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.746 -10.276 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.289 -9.268 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.673 -7.651 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.624 -8.175 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.225 -9.782 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.541 -9.018 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.330 -7.773 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.302 -7.539 -4.518 1.00 0.00 H new ATOM 531 N GLY A 33 7.908 -8.367 -4.781 1.00 0.00 N ATOM 532 CA GLY A 33 8.572 -7.807 -5.944 1.00 0.00 C ATOM 533 C GLY A 33 7.944 -6.483 -6.379 1.00 0.00 C ATOM 534 O GLY A 33 8.183 -6.042 -7.502 1.00 0.00 O ATOM 0 H GLY A 33 8.322 -8.071 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.627 -7.651 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.523 -8.519 -6.768 1.00 0.00 H new ATOM 538 N LEU A 34 7.145 -5.850 -5.509 1.00 0.00 N ATOM 539 CA LEU A 34 6.561 -4.544 -5.784 1.00 0.00 C ATOM 540 C LEU A 34 7.576 -3.452 -5.451 1.00 0.00 C ATOM 541 O LEU A 34 7.757 -2.524 -6.236 1.00 0.00 O ATOM 542 CB LEU A 34 5.277 -4.354 -4.970 1.00 0.00 C ATOM 543 CG LEU A 34 4.208 -5.428 -5.222 1.00 0.00 C ATOM 544 CD1 LEU A 34 3.020 -5.144 -4.303 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.734 -5.470 -6.677 1.00 0.00 C ATOM 0 H LEU A 34 6.890 -6.234 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 34 6.305 -4.479 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.529 -4.350 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.855 -3.376 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 34 4.652 -6.401 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.247 -5.895 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.347 -5.178 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.617 -4.156 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.980 -6.248 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.304 -4.506 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.580 -5.686 -7.329 1.00 0.00 H new ATOM 557 N PHE A 35 8.226 -3.584 -4.285 1.00 0.00 N ATOM 558 CA PHE A 35 9.257 -2.698 -3.754 1.00 0.00 C ATOM 559 C PHE A 35 8.704 -1.341 -3.309 1.00 0.00 C ATOM 560 O PHE A 35 9.418 -0.685 -2.522 1.00 0.00 O ATOM 561 CB PHE A 35 10.419 -2.540 -4.745 1.00 0.00 C ATOM 562 CG PHE A 35 10.998 -3.859 -5.220 1.00 0.00 C ATOM 563 CD1 PHE A 35 11.719 -4.670 -4.325 1.00 0.00 C ATOM 564 CD2 PHE A 35 10.809 -4.284 -6.549 1.00 0.00 C ATOM 565 CE1 PHE A 35 12.235 -5.907 -4.748 1.00 0.00 C ATOM 566 CE2 PHE A 35 11.341 -5.513 -6.977 1.00 0.00 C ATOM 567 CZ PHE A 35 12.053 -6.324 -6.078 1.00 0.00 C ATOM 568 OXT PHE A 35 7.581 -0.984 -3.727 1.00 0.00 O ATOM 0 H PHE A 35 8.029 -4.361 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 35 9.646 -3.176 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.073 -1.973 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.209 -1.955 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.877 -4.341 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.255 -3.666 -7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.770 -6.536 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.202 -5.834 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.461 -7.268 -6.409 1.00 0.00 H new