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= 0.589 K(o=3.7,f=-11!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0.923) USER MOD Set 1.3: A 30 LYS NZ :NH3+ -151:sc= 1.95 (180deg=0.335) USER MOD Single : A 7 THR OG1 : rot -85:sc= 0.4 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 12 MET CE :methyl -163:sc= 0 (180deg=-0.311) USER MOD Single : A 13 THR OG1 : rot 116:sc= 0.436 USER MOD Single : A 18 SER OG : rot 180:sc= 0.202 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.532 K(o=-0.53,f=-7.1!) USER MOD Single : A 27 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= 0.359 (180deg=0.2) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -0.602 6.424 -1.373 1.00 0.00 N ATOM 38 CA ILE A 3 -1.463 5.316 -0.977 1.00 0.00 C ATOM 39 C ILE A 3 -2.022 4.574 -2.202 1.00 0.00 C ATOM 40 O ILE A 3 -2.266 3.368 -2.139 1.00 0.00 O ATOM 41 CB ILE A 3 -2.556 5.864 -0.024 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.236 5.339 1.382 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.987 5.479 -0.436 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.212 5.810 2.466 1.00 0.00 C ATOM 0 HA ILE A 3 -0.892 4.562 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.537 6.953 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.234 4.249 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.229 5.654 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.696 5.898 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.198 5.873 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.083 4.393 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.915 5.394 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.198 6.899 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.219 5.472 2.221 1.00 0.00 H new ATOM 56 N GLU A 4 -2.188 5.288 -3.323 1.00 0.00 N ATOM 57 CA GLU A 4 -2.697 4.722 -4.558 1.00 0.00 C ATOM 58 C GLU A 4 -1.774 3.632 -5.101 1.00 0.00 C ATOM 59 O GLU A 4 -2.259 2.619 -5.595 1.00 0.00 O ATOM 60 CB GLU A 4 -2.912 5.827 -5.601 1.00 0.00 C ATOM 61 CG GLU A 4 -3.932 5.378 -6.656 1.00 0.00 C ATOM 62 CD GLU A 4 -3.987 6.354 -7.827 1.00 0.00 C ATOM 63 OE1 GLU A 4 -4.490 7.462 -7.659 1.00 0.00 O ATOM 64 OE2 GLU A 4 -3.456 5.915 -9.005 1.00 0.00 O ATOM 0 H GLU A 4 -1.968 6.282 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.657 4.254 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.263 6.735 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.965 6.070 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.668 4.385 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.919 5.299 -6.200 1.00 0.00 H new ATOM 72 N ASP A 5 -0.455 3.830 -5.007 1.00 0.00 N ATOM 73 CA ASP A 5 0.523 2.889 -5.528 1.00 0.00 C ATOM 74 C ASP A 5 0.426 1.546 -4.806 1.00 0.00 C ATOM 75 O ASP A 5 0.348 0.506 -5.458 1.00 0.00 O ATOM 76 CB ASP A 5 1.925 3.497 -5.417 1.00 0.00 C ATOM 77 CG ASP A 5 3.000 2.654 -6.100 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.697 1.929 -7.046 1.00 0.00 O ATOM 79 OD2 ASP A 5 4.261 2.783 -5.594 1.00 0.00 O ATOM 0 H ASP A 5 -0.042 4.651 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 5 0.315 2.697 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.918 4.494 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.180 3.617 -4.364 1.00 0.00 H new ATOM 85 N PHE A 6 0.397 1.574 -3.466 1.00 0.00 N ATOM 86 CA PHE A 6 0.178 0.384 -2.657 1.00 0.00 C ATOM 87 C PHE A 6 -1.104 -0.322 -3.095 1.00 0.00 C ATOM 88 O PHE A 6 -1.046 -1.464 -3.533 1.00 0.00 O ATOM 89 CB PHE A 6 0.129 0.741 -1.166 1.00 0.00 C ATOM 90 CG PHE A 6 0.012 -0.510 -0.323 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.142 -1.310 -0.070 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.211 -0.811 0.302 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.103 -2.259 0.965 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.243 -1.747 1.345 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.070 -2.425 1.716 1.00 0.00 C ATOM 0 H PHE A 6 0.526 2.426 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 6 1.014 -0.299 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.028 1.291 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.719 1.398 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.034 -1.195 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.120 -0.324 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.974 -2.859 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.169 -1.947 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.071 -3.074 2.579 1.00 0.00 H new ATOM 105 N THR A 7 -2.259 0.344 -2.994 1.00 0.00 N ATOM 106 CA THR A 7 -3.543 -0.269 -3.257 1.00 0.00 C ATOM 107 C THR A 7 -3.618 -0.887 -4.655 1.00 0.00 C ATOM 108 O THR A 7 -3.999 -2.049 -4.782 1.00 0.00 O ATOM 109 CB THR A 7 -4.640 0.775 -3.035 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.345 1.980 -3.701 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.856 1.065 -1.550 1.00 0.00 C ATOM 0 H THR A 7 -2.318 1.326 -2.726 1.00 0.00 H new ATOM 0 HA THR A 7 -3.687 -1.098 -2.564 1.00 0.00 H new ATOM 0 HB THR A 7 -5.556 0.351 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.766 2.533 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.643 1.811 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.149 0.148 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.931 1.443 -1.115 1.00 0.00 H new ATOM 119 N GLN A 8 -3.255 -0.125 -5.695 1.00 0.00 N ATOM 120 CA GLN A 8 -3.442 -0.555 -7.075 1.00 0.00 C ATOM 121 C GLN A 8 -2.530 -1.729 -7.440 1.00 0.00 C ATOM 122 O GLN A 8 -2.969 -2.651 -8.126 1.00 0.00 O ATOM 123 CB GLN A 8 -3.287 0.640 -8.032 1.00 0.00 C ATOM 124 CG GLN A 8 -1.828 1.053 -8.277 1.00 0.00 C ATOM 125 CD GLN A 8 -1.689 2.428 -8.933 1.00 0.00 C ATOM 126 OE1 GLN A 8 -2.673 3.122 -9.182 1.00 0.00 O ATOM 127 NE2 GLN A 8 -0.450 2.832 -9.212 1.00 0.00 N ATOM 0 H GLN A 8 -2.828 0.796 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.460 -0.931 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.750 0.391 -8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.833 1.492 -7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.294 1.056 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.348 0.306 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.344 2.231 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.296 3.742 -9.645 1.00 0.00 H new ATOM 136 N ALA A 9 -1.272 -1.706 -6.983 1.00 0.00 N ATOM 137 CA ALA A 9 -0.299 -2.740 -7.302 1.00 0.00 C ATOM 138 C ALA A 9 -0.503 -3.986 -6.439 1.00 0.00 C ATOM 139 O ALA A 9 -0.282 -5.101 -6.908 1.00 0.00 O ATOM 140 CB ALA A 9 1.111 -2.187 -7.102 1.00 0.00 C ATOM 0 H ALA A 9 -0.907 -0.967 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.437 -3.033 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.842 -2.960 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.262 -1.330 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.236 -1.877 -6.065 1.00 0.00 H new ATOM 146 N PHE A 10 -0.893 -3.797 -5.172 1.00 0.00 N ATOM 147 CA PHE A 10 -0.930 -4.867 -4.183 1.00 0.00 C ATOM 148 C PHE A 10 -2.253 -5.619 -4.230 1.00 0.00 C ATOM 149 O PHE A 10 -2.266 -6.847 -4.140 1.00 0.00 O ATOM 150 CB PHE A 10 -0.681 -4.308 -2.777 1.00 0.00 C ATOM 151 CG PHE A 10 -0.035 -5.307 -1.851 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.832 -6.276 -1.219 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.348 -5.267 -1.608 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.255 -7.184 -0.326 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.919 -6.156 -0.684 1.00 0.00 C ATOM 156 CZ PHE A 10 1.109 -7.085 -0.009 1.00 0.00 C ATOM 0 H PHE A 10 -1.192 -2.892 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.135 -5.573 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.046 -3.425 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.629 -3.984 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.892 -6.320 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.970 -4.555 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.858 -7.961 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.981 -6.126 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.535 -7.722 0.752 1.00 0.00 H new ATOM 166 N GLY A 11 -3.358 -4.872 -4.327 1.00 0.00 N ATOM 167 CA GLY A 11 -4.705 -5.410 -4.245 1.00 0.00 C ATOM 168 C GLY A 11 -5.169 -5.570 -2.795 1.00 0.00 C ATOM 169 O GLY A 11 -6.016 -6.420 -2.527 1.00 0.00 O ATOM 0 H GLY A 11 -3.333 -3.862 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.392 -4.751 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.741 -6.377 -4.746 1.00 0.00 H new ATOM 173 N MET A 12 -4.629 -4.768 -1.864 1.00 0.00 N ATOM 174 CA MET A 12 -5.087 -4.731 -0.477 1.00 0.00 C ATOM 175 C MET A 12 -5.050 -3.299 0.047 1.00 0.00 C ATOM 176 O MET A 12 -4.428 -2.419 -0.543 1.00 0.00 O ATOM 177 CB MET A 12 -4.234 -5.669 0.388 1.00 0.00 C ATOM 178 CG MET A 12 -4.788 -5.959 1.788 1.00 0.00 C ATOM 179 SD MET A 12 -4.376 -7.605 2.435 1.00 0.00 S ATOM 180 CE MET A 12 -2.601 -7.424 2.736 1.00 0.00 C ATOM 0 H MET A 12 -3.860 -4.127 -2.058 1.00 0.00 H new ATOM 0 HA MET A 12 -6.118 -5.080 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.115 -6.615 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.239 -5.235 0.492 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.408 -5.206 2.478 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.873 -5.853 1.765 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.148 -8.410 2.842 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.141 -6.901 1.897 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.443 -6.852 3.650 1.00 0.00 H new ATOM 190 N THR A 13 -5.728 -3.094 1.177 1.00 0.00 N ATOM 191 CA THR A 13 -5.773 -1.833 1.901 1.00 0.00 C ATOM 192 C THR A 13 -4.494 -1.610 2.709 1.00 0.00 C ATOM 193 O THR A 13 -3.939 -2.559 3.263 1.00 0.00 O ATOM 194 CB THR A 13 -7.051 -1.720 2.767 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.752 -1.247 4.059 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.812 -3.034 2.986 1.00 0.00 C ATOM 0 H THR A 13 -6.277 -3.828 1.624 1.00 0.00 H new ATOM 0 HA THR A 13 -5.825 -1.028 1.168 1.00 0.00 H new ATOM 0 HB THR A 13 -7.675 -1.037 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.181 -0.377 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.690 -2.847 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.125 -3.438 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.162 -3.752 3.486 1.00 0.00 H new ATOM 204 N PRO A 14 -4.044 -0.348 2.815 1.00 0.00 N ATOM 205 CA PRO A 14 -2.944 0.034 3.676 1.00 0.00 C ATOM 206 C PRO A 14 -3.335 -0.113 5.148 1.00 0.00 C ATOM 207 O PRO A 14 -2.445 -0.225 5.986 1.00 0.00 O ATOM 208 CB PRO A 14 -2.632 1.488 3.317 1.00 0.00 C ATOM 209 CG PRO A 14 -3.994 2.034 2.902 1.00 0.00 C ATOM 210 CD PRO A 14 -4.649 0.834 2.222 1.00 0.00 C ATOM 0 HA PRO A 14 -2.070 -0.602 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.219 2.034 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.905 1.558 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.571 2.376 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.900 2.882 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.728 0.839 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.482 0.858 1.145 1.00 0.00 H new ATOM 218 N ALA A 15 -4.638 -0.134 5.478 1.00 0.00 N ATOM 219 CA ALA A 15 -5.074 -0.346 6.854 1.00 0.00 C ATOM 220 C ALA A 15 -4.841 -1.805 7.249 1.00 0.00 C ATOM 221 O ALA A 15 -4.245 -2.074 8.292 1.00 0.00 O ATOM 222 CB ALA A 15 -6.539 0.064 7.036 1.00 0.00 C ATOM 0 H ALA A 15 -5.398 -0.007 4.809 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.483 0.287 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.838 -0.104 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.654 1.120 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.168 -0.532 6.375 1.00 0.00 H new ATOM 228 N ALA A 16 -5.272 -2.741 6.390 1.00 0.00 N ATOM 229 CA ALA A 16 -4.990 -4.165 6.544 1.00 0.00 C ATOM 230 C ALA A 16 -3.487 -4.403 6.656 1.00 0.00 C ATOM 231 O ALA A 16 -3.041 -5.164 7.511 1.00 0.00 O ATOM 232 CB ALA A 16 -5.554 -4.947 5.355 1.00 0.00 C ATOM 0 H ALA A 16 -5.830 -2.523 5.564 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.469 -4.514 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.337 -6.008 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.633 -4.801 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.094 -4.590 4.434 1.00 0.00 H new ATOM 238 N PHE A 17 -2.713 -3.734 5.796 1.00 0.00 N ATOM 239 CA PHE A 17 -1.264 -3.809 5.814 1.00 0.00 C ATOM 240 C PHE A 17 -0.722 -3.338 7.162 1.00 0.00 C ATOM 241 O PHE A 17 0.079 -4.034 7.784 1.00 0.00 O ATOM 242 CB PHE A 17 -0.689 -2.990 4.642 1.00 0.00 C ATOM 243 CG PHE A 17 0.407 -3.689 3.869 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.164 -4.982 3.377 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.640 -3.063 3.607 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.156 -5.668 2.670 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.649 -3.765 2.922 1.00 0.00 C ATOM 248 CZ PHE A 17 2.406 -5.072 2.460 1.00 0.00 C ATOM 0 H PHE A 17 -3.084 -3.124 5.067 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.950 -4.845 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.499 -2.742 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.300 -2.048 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.795 -5.449 3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.811 -2.047 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.958 -6.658 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.609 -3.301 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.183 -5.615 1.944 1.00 0.00 H new ATOM 258 N SER A 18 -1.185 -2.169 7.617 1.00 0.00 N ATOM 259 CA SER A 18 -0.674 -1.492 8.801 1.00 0.00 C ATOM 260 C SER A 18 -0.940 -2.286 10.078 1.00 0.00 C ATOM 261 O SER A 18 -0.180 -2.161 11.037 1.00 0.00 O ATOM 262 CB SER A 18 -1.228 -0.069 8.904 1.00 0.00 C ATOM 263 OG SER A 18 -0.590 0.617 9.964 1.00 0.00 O ATOM 0 H SER A 18 -1.941 -1.661 7.159 1.00 0.00 H new ATOM 0 HA SER A 18 0.408 -1.425 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.068 0.462 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.304 -0.099 9.074 1.00 0.00 H new ATOM 0 HG SER A 18 -0.946 1.528 10.026 1.00 0.00 H new ATOM 269 N ALA A 19 -2.006 -3.096 10.092 1.00 0.00 N ATOM 270 CA ALA A 19 -2.340 -3.968 11.208 1.00 0.00 C ATOM 271 C ALA A 19 -1.200 -4.938 11.542 1.00 0.00 C ATOM 272 O ALA A 19 -1.026 -5.287 12.708 1.00 0.00 O ATOM 273 CB ALA A 19 -3.624 -4.737 10.890 1.00 0.00 C ATOM 0 H ALA A 19 -2.664 -3.160 9.316 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.496 -3.345 12.089 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.874 -5.390 11.726 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.439 -4.032 10.724 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.476 -5.338 9.993 1.00 0.00 H new ATOM 279 N LEU A 20 -0.426 -5.372 10.537 1.00 0.00 N ATOM 280 CA LEU A 20 0.694 -6.282 10.759 1.00 0.00 C ATOM 281 C LEU A 20 1.888 -5.504 11.322 1.00 0.00 C ATOM 282 O LEU A 20 1.985 -4.302 11.081 1.00 0.00 O ATOM 283 CB LEU A 20 1.143 -6.952 9.447 1.00 0.00 C ATOM 284 CG LEU A 20 0.029 -7.367 8.474 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.681 -7.823 7.165 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.835 -8.487 9.063 1.00 0.00 C ATOM 0 H LEU A 20 -0.560 -5.104 9.562 1.00 0.00 H new ATOM 0 HA LEU A 20 0.360 -7.048 11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.813 -6.268 8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.725 -7.839 9.698 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.629 -6.517 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.093 -8.123 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.261 -7.002 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.340 -8.669 7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.614 -8.758 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.212 -9.357 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.294 -8.143 9.990 1.00 0.00 H new ATOM 298 N PRO A 21 2.832 -6.158 12.021 1.00 0.00 N ATOM 299 CA PRO A 21 4.098 -5.537 12.374 1.00 0.00 C ATOM 300 C PRO A 21 4.814 -5.054 11.112 1.00 0.00 C ATOM 301 O PRO A 21 4.795 -5.724 10.078 1.00 0.00 O ATOM 302 CB PRO A 21 4.922 -6.602 13.102 1.00 0.00 C ATOM 303 CG PRO A 21 4.222 -7.919 12.767 1.00 0.00 C ATOM 304 CD PRO A 21 2.767 -7.506 12.553 1.00 0.00 C ATOM 0 HA PRO A 21 3.952 -4.666 13.013 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.957 -6.605 12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.940 -6.424 14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.643 -8.382 11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.319 -8.642 13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.264 -8.180 11.860 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.207 -7.534 13.488 1.00 0.00 H new ATOM 312 N ARG A 22 5.427 -3.871 11.218 1.00 0.00 N ATOM 313 CA ARG A 22 6.014 -3.136 10.109 1.00 0.00 C ATOM 314 C ARG A 22 7.055 -3.960 9.346 1.00 0.00 C ATOM 315 O ARG A 22 7.163 -3.826 8.129 1.00 0.00 O ATOM 316 CB ARG A 22 6.619 -1.835 10.655 1.00 0.00 C ATOM 317 CG ARG A 22 6.995 -0.842 9.545 1.00 0.00 C ATOM 318 CD ARG A 22 6.077 0.387 9.516 1.00 0.00 C ATOM 319 NE ARG A 22 4.666 0.048 9.251 1.00 0.00 N ATOM 320 CZ ARG A 22 3.603 0.402 10.000 1.00 0.00 C ATOM 321 NH1 ARG A 22 3.741 0.914 11.232 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.371 0.245 9.497 1.00 0.00 N ATOM 0 H ARG A 22 5.528 -3.388 12.111 1.00 0.00 H new ATOM 0 HA ARG A 22 5.232 -2.907 9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.906 -1.364 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.507 -2.071 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.026 -0.517 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.950 -1.347 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.146 0.908 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.429 1.078 8.750 1.00 0.00 H new ATOM 0 HE ARG A 22 4.476 -0.510 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.672 1.046 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.915 1.172 11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.248 -0.138 8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.556 0.508 10.052 1.00 0.00 H new ATOM 336 N TRP A 23 7.817 -4.816 10.038 1.00 0.00 N ATOM 337 CA TRP A 23 8.825 -5.637 9.379 1.00 0.00 C ATOM 338 C TRP A 23 8.174 -6.605 8.385 1.00 0.00 C ATOM 339 O TRP A 23 8.630 -6.735 7.250 1.00 0.00 O ATOM 340 CB TRP A 23 9.695 -6.353 10.422 1.00 0.00 C ATOM 341 CG TRP A 23 9.123 -7.617 10.995 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.466 -7.717 12.169 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.105 -8.958 10.417 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.986 -9.000 12.336 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.337 -9.804 11.269 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.609 -9.534 9.230 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.067 -11.144 10.952 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.348 -10.877 8.903 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.574 -11.681 9.759 1.00 0.00 C ATOM 0 H TRP A 23 7.751 -4.954 11.047 1.00 0.00 H new ATOM 0 HA TRP A 23 9.486 -4.994 8.798 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.657 -6.586 9.966 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.890 -5.661 11.241 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.335 -6.911 12.875 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.444 -9.313 13.141 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.206 -8.932 8.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.476 -11.755 11.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.744 -11.293 7.989 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.370 -12.709 9.499 1.00 0.00 H new ATOM 360 N LYS A 24 7.103 -7.278 8.826 1.00 0.00 N ATOM 361 CA LYS A 24 6.447 -8.334 8.077 1.00 0.00 C ATOM 362 C LYS A 24 5.797 -7.747 6.841 1.00 0.00 C ATOM 363 O LYS A 24 6.089 -8.153 5.723 1.00 0.00 O ATOM 364 CB LYS A 24 5.409 -9.026 8.969 1.00 0.00 C ATOM 365 CG LYS A 24 4.977 -10.365 8.363 1.00 0.00 C ATOM 366 CD LYS A 24 4.091 -11.166 9.325 1.00 0.00 C ATOM 367 CE LYS A 24 2.854 -10.367 9.746 1.00 0.00 C ATOM 368 NZ LYS A 24 1.901 -11.198 10.503 1.00 0.00 N ATOM 0 H LYS A 24 6.668 -7.093 9.730 1.00 0.00 H new ATOM 0 HA LYS A 24 7.179 -9.077 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.827 -9.189 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.540 -8.380 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.436 -10.186 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.860 -10.951 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.780 -12.095 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.667 -11.440 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.160 -9.517 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.362 -9.964 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.076 -10.624 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.590 -11.995 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.363 -11.562 11.361 1.00 0.00 H new ATOM 382 N GLN A 25 4.943 -6.762 7.098 1.00 0.00 N ATOM 383 CA GLN A 25 4.304 -5.860 6.170 1.00 0.00 C ATOM 384 C GLN A 25 5.222 -5.519 4.994 1.00 0.00 C ATOM 385 O GLN A 25 4.885 -5.802 3.848 1.00 0.00 O ATOM 386 CB GLN A 25 3.953 -4.656 7.038 1.00 0.00 C ATOM 387 CG GLN A 25 3.067 -3.583 6.429 1.00 0.00 C ATOM 388 CD GLN A 25 2.807 -2.490 7.464 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.906 -1.305 7.155 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.502 -2.880 8.707 1.00 0.00 N ATOM 0 H GLN A 25 4.659 -6.563 8.057 1.00 0.00 H new ATOM 0 HA GLN A 25 3.421 -6.281 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.463 -5.024 7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.885 -4.184 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.547 -3.157 5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.124 -4.019 6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.428 -3.873 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.343 -2.184 9.435 1.00 0.00 H new ATOM 399 N GLN A 26 6.402 -4.954 5.267 1.00 0.00 N ATOM 400 CA GLN A 26 7.324 -4.543 4.221 1.00 0.00 C ATOM 401 C GLN A 26 7.905 -5.760 3.499 1.00 0.00 C ATOM 402 O GLN A 26 8.028 -5.744 2.275 1.00 0.00 O ATOM 403 CB GLN A 26 8.414 -3.671 4.855 1.00 0.00 C ATOM 404 CG GLN A 26 8.482 -2.285 4.211 1.00 0.00 C ATOM 405 CD GLN A 26 9.483 -2.218 3.060 1.00 0.00 C ATOM 406 OE1 GLN A 26 9.106 -1.975 1.917 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.768 -2.420 3.358 1.00 0.00 N ATOM 0 H GLN A 26 6.737 -4.773 6.213 1.00 0.00 H new ATOM 0 HA GLN A 26 6.801 -3.959 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.220 -3.566 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.380 -4.166 4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.493 -2.011 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.756 -1.550 4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.043 -2.620 4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.475 -2.375 2.624 1.00 0.00 H new ATOM 416 N ASN A 27 8.232 -6.821 4.247 1.00 0.00 N ATOM 417 CA ASN A 27 8.702 -8.080 3.694 1.00 0.00 C ATOM 418 C ASN A 27 7.695 -8.687 2.707 1.00 0.00 C ATOM 419 O ASN A 27 8.125 -9.275 1.723 1.00 0.00 O ATOM 420 CB ASN A 27 9.077 -9.058 4.817 1.00 0.00 C ATOM 421 CG ASN A 27 9.744 -10.318 4.267 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.695 -10.234 3.494 1.00 0.00 O ATOM 423 ND2 ASN A 27 9.249 -11.493 4.657 1.00 0.00 N ATOM 0 H ASN A 27 8.174 -6.821 5.265 1.00 0.00 H new ATOM 0 HA ASN A 27 9.605 -7.876 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.751 -8.566 5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.182 -9.333 5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.661 -12.360 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.458 -11.525 5.300 1.00 0.00 H new ATOM 430 N LEU A 28 6.377 -8.531 2.919 1.00 0.00 N ATOM 431 CA LEU A 28 5.368 -9.021 1.976 1.00 0.00 C ATOM 432 C LEU A 28 5.612 -8.420 0.589 1.00 0.00 C ATOM 433 O LEU A 28 5.768 -9.136 -0.397 1.00 0.00 O ATOM 434 CB LEU A 28 3.931 -8.670 2.412 1.00 0.00 C ATOM 435 CG LEU A 28 3.527 -9.001 3.853 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.033 -8.756 4.082 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.844 -10.447 4.187 1.00 0.00 C ATOM 0 H LEU A 28 5.989 -8.067 3.740 1.00 0.00 H new ATOM 0 HA LEU A 28 5.463 -10.107 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.785 -7.601 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.241 -9.185 1.743 1.00 0.00 H new ATOM 0 HG LEU A 28 4.102 -8.342 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.778 -9.000 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.802 -7.708 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.453 -9.385 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.548 -10.656 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.298 -11.105 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.914 -10.620 4.075 1.00 0.00 H new ATOM 449 N LYS A 29 5.642 -7.087 0.541 1.00 0.00 N ATOM 450 CA LYS A 29 5.817 -6.283 -0.655 1.00 0.00 C ATOM 451 C LYS A 29 7.164 -6.561 -1.322 1.00 0.00 C ATOM 452 O LYS A 29 7.243 -6.635 -2.547 1.00 0.00 O ATOM 453 CB LYS A 29 5.700 -4.820 -0.211 1.00 0.00 C ATOM 454 CG LYS A 29 5.694 -3.848 -1.389 1.00 0.00 C ATOM 455 CD LYS A 29 5.583 -2.395 -0.916 1.00 0.00 C ATOM 456 CE LYS A 29 6.647 -2.050 0.134 1.00 0.00 C ATOM 457 NZ LYS A 29 6.967 -0.613 0.149 1.00 0.00 N ATOM 0 H LYS A 29 5.539 -6.517 1.381 1.00 0.00 H new ATOM 0 HA LYS A 29 5.061 -6.524 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.784 -4.691 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.531 -4.577 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.607 -3.974 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.860 -4.081 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.687 -1.727 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.591 -2.225 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.294 -2.352 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.553 -2.620 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.425 -0.369 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.611 -0.392 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.092 -0.061 0.045 1.00 0.00 H new ATOM 471 N LYS A 30 8.217 -6.706 -0.513 1.00 0.00 N ATOM 472 CA LYS A 30 9.574 -6.942 -0.976 1.00 0.00 C ATOM 473 C LYS A 30 9.725 -8.349 -1.569 1.00 0.00 C ATOM 474 O LYS A 30 10.355 -8.501 -2.614 1.00 0.00 O ATOM 475 CB LYS A 30 10.546 -6.677 0.183 1.00 0.00 C ATOM 476 CG LYS A 30 10.761 -5.172 0.412 1.00 0.00 C ATOM 477 CD LYS A 30 11.716 -4.572 -0.633 1.00 0.00 C ATOM 478 CE LYS A 30 12.128 -3.135 -0.292 1.00 0.00 C ATOM 479 NZ LYS A 30 10.977 -2.219 -0.267 1.00 0.00 N ATOM 0 H LYS A 30 8.141 -6.660 0.503 1.00 0.00 H new ATOM 0 HA LYS A 30 9.813 -6.254 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.158 -7.132 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.503 -7.153 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.802 -4.656 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.165 -5.009 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.607 -5.195 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.235 -4.587 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.623 -3.121 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.854 -2.783 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.290 -1.261 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.261 -2.543 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.565 -2.205 0.688 1.00 0.00 H new ATOM 493 N GLU A 31 9.125 -9.366 -0.938 1.00 0.00 N ATOM 494 CA GLU A 31 9.068 -10.727 -1.465 1.00 0.00 C ATOM 495 C GLU A 31 8.297 -10.752 -2.786 1.00 0.00 C ATOM 496 O GLU A 31 8.748 -11.369 -3.749 1.00 0.00 O ATOM 497 CB GLU A 31 8.408 -11.665 -0.448 1.00 0.00 C ATOM 498 CG GLU A 31 9.358 -11.966 0.719 1.00 0.00 C ATOM 499 CD GLU A 31 8.662 -12.714 1.854 1.00 0.00 C ATOM 500 OE1 GLU A 31 9.243 -13.645 2.407 1.00 0.00 O ATOM 501 OE2 GLU A 31 7.417 -12.275 2.201 1.00 0.00 O ATOM 0 H GLU A 31 8.661 -9.261 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 31 10.086 -11.072 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.493 -11.210 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.122 -12.596 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.198 -12.559 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.769 -11.031 1.101 1.00 0.00 H new ATOM 509 N LYS A 32 7.149 -10.064 -2.836 1.00 0.00 N ATOM 510 CA LYS A 32 6.356 -9.921 -4.049 1.00 0.00 C ATOM 511 C LYS A 32 7.122 -9.148 -5.132 1.00 0.00 C ATOM 512 O LYS A 32 6.898 -9.384 -6.318 1.00 0.00 O ATOM 513 CB LYS A 32 5.018 -9.246 -3.725 1.00 0.00 C ATOM 514 CG LYS A 32 4.043 -10.186 -3.005 1.00 0.00 C ATOM 515 CD LYS A 32 2.753 -9.460 -2.595 1.00 0.00 C ATOM 516 CE LYS A 32 1.934 -8.973 -3.800 1.00 0.00 C ATOM 517 NZ LYS A 32 0.637 -8.403 -3.391 1.00 0.00 N ATOM 0 H LYS A 32 6.748 -9.590 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 32 6.155 -10.915 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.199 -8.370 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.561 -8.892 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.797 -11.024 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.524 -10.601 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.140 -10.130 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.006 -8.607 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.504 -8.222 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.765 -9.805 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.368 -7.645 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.089 -9.147 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.716 -8.014 -2.430 1.00 0.00 H new ATOM 531 N GLY A 33 8.034 -8.248 -4.738 1.00 0.00 N ATOM 532 CA GLY A 33 8.952 -7.582 -5.651 1.00 0.00 C ATOM 533 C GLY A 33 8.397 -6.277 -6.223 1.00 0.00 C ATOM 534 O GLY A 33 8.894 -5.808 -7.245 1.00 0.00 O ATOM 0 H GLY A 33 8.150 -7.964 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.885 -7.373 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.191 -8.258 -6.472 1.00 0.00 H new ATOM 538 N LEU A 34 7.363 -5.701 -5.593 1.00 0.00 N ATOM 539 CA LEU A 34 6.737 -4.467 -6.055 1.00 0.00 C ATOM 540 C LEU A 34 7.706 -3.297 -5.874 1.00 0.00 C ATOM 541 O LEU A 34 8.265 -2.794 -6.848 1.00 0.00 O ATOM 542 CB LEU A 34 5.426 -4.220 -5.287 1.00 0.00 C ATOM 543 CG LEU A 34 4.207 -4.942 -5.880 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.430 -6.451 -5.975 1.00 0.00 C ATOM 545 CD2 LEU A 34 2.994 -4.680 -4.981 1.00 0.00 C ATOM 0 H LEU A 34 6.941 -6.084 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 34 6.498 -4.557 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.557 -4.540 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.226 -3.149 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 34 4.043 -4.559 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.544 -6.924 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.290 -6.652 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.615 -6.855 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.121 -5.187 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.196 -5.058 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.801 -3.608 -4.933 1.00 0.00 H new ATOM 557 N PHE A 35 7.877 -2.855 -4.625 1.00 0.00 N ATOM 558 CA PHE A 35 8.676 -1.698 -4.243 1.00 0.00 C ATOM 559 C PHE A 35 8.774 -1.682 -2.715 1.00 0.00 C ATOM 560 O PHE A 35 8.616 -0.601 -2.105 1.00 0.00 O ATOM 561 CB PHE A 35 8.102 -0.402 -4.857 1.00 0.00 C ATOM 562 CG PHE A 35 6.584 -0.319 -4.937 1.00 0.00 C ATOM 563 CD1 PHE A 35 5.824 -0.049 -3.786 1.00 0.00 C ATOM 564 CD2 PHE A 35 5.926 -0.534 -6.165 1.00 0.00 C ATOM 565 CE1 PHE A 35 4.423 -0.167 -3.821 1.00 0.00 C ATOM 566 CE2 PHE A 35 4.522 -0.595 -6.212 1.00 0.00 C ATOM 567 CZ PHE A 35 3.774 -0.440 -5.034 1.00 0.00 C ATOM 568 OXT PHE A 35 9.028 -2.774 -2.162 1.00 0.00 O ATOM 0 H PHE A 35 7.444 -3.315 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 35 9.688 -1.763 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.462 0.444 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.506 -0.290 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.317 0.250 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.501 -0.652 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.848 -0.048 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.019 -0.761 -7.153 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.698 -0.531 -5.062 1.00 0.00 H new