USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 291 hydrogens (3 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= 0.63 K(o=2.1,f=-2.6) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -173:sc= 1.47 (180deg=1.04) USER MOD Single : A 2 SER OG : rot 180:sc= 0.351 USER MOD Single : A 7 THR OG1 : rot 37:sc= 1.13 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= 0.914 USER MOD Single : A 18 SER OG : rot 180:sc= 0.482 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.931 K(o=-0.93,f=-6.7!) USER MOD Single : A 27 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.026) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.228) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 0.242 (180deg=0.178) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 6.479 5.760 -4.923 1.00 0.00 C HETATM 2 O ACE A 0 5.612 6.347 -5.569 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.922 6.250 -4.947 1.00 0.00 C HETATM 0 H1 ACE A 0 8.235 6.510 -3.936 1.00 0.00 H new HETATM 0 H2 ACE A 0 8.567 5.462 -5.335 1.00 0.00 H new HETATM 0 H3 ACE A 0 7.997 7.129 -5.587 1.00 0.00 H new ATOM 7 N LEU A 1 6.226 4.682 -4.172 1.00 0.00 N ATOM 8 CA LEU A 1 4.901 4.098 -4.036 1.00 0.00 C ATOM 9 C LEU A 1 4.000 5.046 -3.242 1.00 0.00 C ATOM 10 O LEU A 1 4.259 5.305 -2.068 1.00 0.00 O ATOM 11 CB LEU A 1 5.014 2.709 -3.386 1.00 0.00 C ATOM 12 CG LEU A 1 3.648 2.011 -3.254 1.00 0.00 C ATOM 13 CD1 LEU A 1 3.756 0.517 -3.579 1.00 0.00 C ATOM 14 CD2 LEU A 1 3.052 2.165 -1.853 1.00 0.00 C ATOM 0 H LEU A 1 6.945 4.192 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 1 4.444 3.962 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.682 2.086 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.465 2.808 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 1 2.988 2.499 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.776 0.051 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.113 0.392 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.456 0.044 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.089 1.656 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.728 1.726 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.914 3.223 -1.631 1.00 0.00 H new ATOM 26 N SER A 2 2.940 5.550 -3.886 1.00 0.00 N ATOM 27 CA SER A 2 1.899 6.336 -3.238 1.00 0.00 C ATOM 28 C SER A 2 0.888 5.409 -2.559 1.00 0.00 C ATOM 29 O SER A 2 0.841 4.215 -2.845 1.00 0.00 O ATOM 30 CB SER A 2 1.199 7.226 -4.272 1.00 0.00 C ATOM 31 OG SER A 2 0.496 6.440 -5.213 1.00 0.00 O ATOM 0 H SER A 2 2.785 5.418 -4.885 1.00 0.00 H new ATOM 0 HA SER A 2 2.352 6.972 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.509 7.903 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.935 7.844 -4.785 1.00 0.00 H new ATOM 0 HG SER A 2 0.055 7.025 -5.863 1.00 0.00 H new ATOM 37 N ILE A 3 0.050 5.973 -1.681 1.00 0.00 N ATOM 38 CA ILE A 3 -1.007 5.252 -0.989 1.00 0.00 C ATOM 39 C ILE A 3 -1.961 4.606 -2.007 1.00 0.00 C ATOM 40 O ILE A 3 -2.460 3.507 -1.774 1.00 0.00 O ATOM 41 CB ILE A 3 -1.704 6.226 -0.005 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.265 5.824 1.413 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.239 6.219 -0.113 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.890 6.663 2.532 1.00 0.00 C ATOM 0 H ILE A 3 0.094 6.961 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.605 4.428 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.405 7.245 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.520 4.777 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.180 5.902 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.657 6.924 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.534 6.510 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.614 5.218 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.526 6.311 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.615 7.709 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.975 6.566 2.497 1.00 0.00 H new ATOM 56 N GLU A 4 -2.200 5.278 -3.142 1.00 0.00 N ATOM 57 CA GLU A 4 -3.059 4.774 -4.202 1.00 0.00 C ATOM 58 C GLU A 4 -2.367 3.630 -4.942 1.00 0.00 C ATOM 59 O GLU A 4 -2.977 2.589 -5.181 1.00 0.00 O ATOM 60 CB GLU A 4 -3.409 5.912 -5.169 1.00 0.00 C ATOM 61 CG GLU A 4 -4.546 6.773 -4.610 1.00 0.00 C ATOM 62 CD GLU A 4 -4.934 7.883 -5.583 1.00 0.00 C ATOM 63 OE1 GLU A 4 -6.023 7.836 -6.149 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.014 8.875 -5.755 1.00 0.00 O ATOM 0 H GLU A 4 -1.796 6.192 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.981 4.390 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.529 6.532 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.701 5.498 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.414 6.145 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.240 7.211 -3.660 1.00 0.00 H new ATOM 72 N ASP A 5 -1.088 3.809 -5.284 1.00 0.00 N ATOM 73 CA ASP A 5 -0.290 2.762 -5.908 1.00 0.00 C ATOM 74 C ASP A 5 -0.225 1.515 -5.022 1.00 0.00 C ATOM 75 O ASP A 5 -0.153 0.405 -5.537 1.00 0.00 O ATOM 76 CB ASP A 5 1.104 3.300 -6.225 1.00 0.00 C ATOM 77 CG ASP A 5 1.951 2.290 -6.996 1.00 0.00 C ATOM 78 OD1 ASP A 5 3.049 1.962 -6.554 1.00 0.00 O ATOM 79 OD2 ASP A 5 1.413 1.816 -8.154 1.00 0.00 O ATOM 0 H ASP A 5 -0.582 4.682 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.766 2.462 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.014 4.216 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.610 3.562 -5.296 1.00 0.00 H new ATOM 85 N PHE A 6 -0.282 1.706 -3.699 1.00 0.00 N ATOM 86 CA PHE A 6 -0.389 0.633 -2.714 1.00 0.00 C ATOM 87 C PHE A 6 -1.573 -0.281 -3.042 1.00 0.00 C ATOM 88 O PHE A 6 -1.383 -1.463 -3.324 1.00 0.00 O ATOM 89 CB PHE A 6 -0.509 1.212 -1.288 1.00 0.00 C ATOM 90 CG PHE A 6 0.307 0.507 -0.222 1.00 0.00 C ATOM 91 CD1 PHE A 6 0.409 -0.897 -0.199 1.00 0.00 C ATOM 92 CD2 PHE A 6 0.991 1.269 0.746 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.299 -1.521 0.688 1.00 0.00 C ATOM 94 CE2 PHE A 6 1.862 0.642 1.651 1.00 0.00 C ATOM 95 CZ PHE A 6 2.067 -0.745 1.574 1.00 0.00 C ATOM 0 H PHE A 6 -0.254 2.634 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 6 0.520 0.033 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.210 2.260 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.558 1.187 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.198 -1.494 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.845 2.338 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.394 -2.597 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.373 1.224 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.815 -1.216 2.195 1.00 0.00 H new ATOM 105 N THR A 7 -2.792 0.274 -3.018 1.00 0.00 N ATOM 106 CA THR A 7 -4.022 -0.448 -3.284 1.00 0.00 C ATOM 107 C THR A 7 -4.017 -1.055 -4.688 1.00 0.00 C ATOM 108 O THR A 7 -4.456 -2.188 -4.859 1.00 0.00 O ATOM 109 CB THR A 7 -5.219 0.492 -3.078 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.888 1.834 -3.366 1.00 0.00 O ATOM 111 CG2 THR A 7 -5.725 0.424 -1.637 1.00 0.00 C ATOM 0 H THR A 7 -2.943 1.261 -2.807 1.00 0.00 H new ATOM 0 HA THR A 7 -4.106 -1.279 -2.584 1.00 0.00 H new ATOM 0 HB THR A 7 -5.996 0.158 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.274 1.863 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.573 1.099 -1.517 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.037 -0.595 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.927 0.720 -0.957 1.00 0.00 H new ATOM 119 N GLN A 8 -3.516 -0.319 -5.686 1.00 0.00 N ATOM 120 CA GLN A 8 -3.445 -0.801 -7.059 1.00 0.00 C ATOM 121 C GLN A 8 -2.522 -2.015 -7.184 1.00 0.00 C ATOM 122 O GLN A 8 -2.871 -2.986 -7.853 1.00 0.00 O ATOM 123 CB GLN A 8 -2.977 0.326 -7.984 1.00 0.00 C ATOM 124 CG GLN A 8 -4.019 1.444 -8.106 1.00 0.00 C ATOM 125 CD GLN A 8 -3.426 2.676 -8.783 1.00 0.00 C ATOM 126 OE1 GLN A 8 -3.194 3.695 -8.136 1.00 0.00 O ATOM 127 NE2 GLN A 8 -3.171 2.587 -10.089 1.00 0.00 N ATOM 0 H GLN A 8 -3.150 0.625 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.444 -1.119 -7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.043 0.741 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.766 -0.081 -8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.875 1.087 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.388 1.711 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.378 1.724 -10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.769 3.382 -10.586 1.00 0.00 H new ATOM 136 N ALA A 9 -1.342 -1.959 -6.555 1.00 0.00 N ATOM 137 CA ALA A 9 -0.322 -2.986 -6.688 1.00 0.00 C ATOM 138 C ALA A 9 -0.726 -4.272 -5.966 1.00 0.00 C ATOM 139 O ALA A 9 -0.441 -5.362 -6.461 1.00 0.00 O ATOM 140 CB ALA A 9 1.012 -2.472 -6.130 1.00 0.00 C ATOM 0 H ALA A 9 -1.074 -1.192 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.212 -3.215 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.772 -3.247 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.320 -1.585 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.892 -2.219 -5.077 1.00 0.00 H new ATOM 146 N PHE A 10 -1.379 -4.146 -4.803 1.00 0.00 N ATOM 147 CA PHE A 10 -1.623 -5.269 -3.900 1.00 0.00 C ATOM 148 C PHE A 10 -3.067 -5.754 -3.989 1.00 0.00 C ATOM 149 O PHE A 10 -3.307 -6.960 -3.996 1.00 0.00 O ATOM 150 CB PHE A 10 -1.302 -4.848 -2.458 1.00 0.00 C ATOM 151 CG PHE A 10 -0.043 -5.470 -1.892 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.008 -6.849 -1.617 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.084 -4.664 -1.645 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.188 -7.423 -1.111 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.257 -5.238 -1.133 1.00 0.00 C ATOM 156 CZ PHE A 10 2.319 -6.619 -0.888 1.00 0.00 C ATOM 0 H PHE A 10 -1.752 -3.259 -4.465 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.975 -6.093 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.205 -3.763 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.144 -5.114 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.860 -7.467 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.046 -3.604 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.225 -8.480 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.115 -4.616 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.235 -7.063 -0.528 1.00 0.00 H new ATOM 166 N GLY A 11 -4.020 -4.818 -3.993 1.00 0.00 N ATOM 167 CA GLY A 11 -5.439 -5.113 -3.860 1.00 0.00 C ATOM 168 C GLY A 11 -5.882 -5.123 -2.394 1.00 0.00 C ATOM 169 O GLY A 11 -6.846 -5.810 -2.061 1.00 0.00 O ATOM 0 H GLY A 11 -3.819 -3.823 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.018 -4.371 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.653 -6.082 -4.311 1.00 0.00 H new ATOM 173 N MET A 12 -5.191 -4.374 -1.521 1.00 0.00 N ATOM 174 CA MET A 12 -5.570 -4.203 -0.121 1.00 0.00 C ATOM 175 C MET A 12 -5.225 -2.792 0.350 1.00 0.00 C ATOM 176 O MET A 12 -4.280 -2.175 -0.141 1.00 0.00 O ATOM 177 CB MET A 12 -4.914 -5.272 0.768 1.00 0.00 C ATOM 178 CG MET A 12 -3.393 -5.105 0.908 1.00 0.00 C ATOM 179 SD MET A 12 -2.420 -6.641 0.903 1.00 0.00 S ATOM 180 CE MET A 12 -2.738 -7.290 2.565 1.00 0.00 C ATOM 0 H MET A 12 -4.344 -3.866 -1.776 1.00 0.00 H new ATOM 0 HA MET A 12 -6.649 -4.335 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.368 -5.238 1.758 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.127 -6.258 0.354 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.040 -4.472 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.190 -4.572 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.202 -8.230 2.697 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.396 -6.570 3.308 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.807 -7.461 2.690 1.00 0.00 H new ATOM 190 N THR A 13 -6.003 -2.296 1.316 1.00 0.00 N ATOM 191 CA THR A 13 -5.801 -1.001 1.950 1.00 0.00 C ATOM 192 C THR A 13 -4.427 -0.934 2.616 1.00 0.00 C ATOM 193 O THR A 13 -3.943 -1.944 3.126 1.00 0.00 O ATOM 194 CB THR A 13 -6.889 -0.757 3.019 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.627 0.369 3.819 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.125 -1.990 3.893 1.00 0.00 C ATOM 0 H THR A 13 -6.809 -2.801 1.684 1.00 0.00 H new ATOM 0 HA THR A 13 -5.863 -0.234 1.178 1.00 0.00 H new ATOM 0 HB THR A 13 -7.804 -0.554 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.458 0.669 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.898 -1.771 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.445 -2.823 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.200 -2.255 4.405 1.00 0.00 H new ATOM 204 N PRO A 14 -3.814 0.259 2.679 1.00 0.00 N ATOM 205 CA PRO A 14 -2.639 0.473 3.500 1.00 0.00 C ATOM 206 C PRO A 14 -2.998 0.330 4.989 1.00 0.00 C ATOM 207 O PRO A 14 -2.086 0.243 5.808 1.00 0.00 O ATOM 208 CB PRO A 14 -2.169 1.894 3.171 1.00 0.00 C ATOM 209 CG PRO A 14 -3.467 2.601 2.789 1.00 0.00 C ATOM 210 CD PRO A 14 -4.218 1.503 2.041 1.00 0.00 C ATOM 0 HA PRO A 14 -1.855 -0.257 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.687 2.368 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.448 1.902 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.016 2.947 3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.287 3.473 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.296 1.648 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.962 1.503 0.981 1.00 0.00 H new ATOM 218 N ALA A 15 -4.293 0.299 5.357 1.00 0.00 N ATOM 219 CA ALA A 15 -4.696 0.228 6.758 1.00 0.00 C ATOM 220 C ALA A 15 -4.489 -1.191 7.285 1.00 0.00 C ATOM 221 O ALA A 15 -3.764 -1.392 8.257 1.00 0.00 O ATOM 222 CB ALA A 15 -6.148 0.685 6.925 1.00 0.00 C ATOM 0 H ALA A 15 -5.071 0.322 4.698 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.073 0.903 7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.430 0.625 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.247 1.715 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.802 0.041 6.337 1.00 0.00 H new ATOM 228 N ALA A 16 -5.102 -2.173 6.611 1.00 0.00 N ATOM 229 CA ALA A 16 -4.893 -3.590 6.892 1.00 0.00 C ATOM 230 C ALA A 16 -3.411 -3.944 6.804 1.00 0.00 C ATOM 231 O ALA A 16 -2.908 -4.714 7.619 1.00 0.00 O ATOM 232 CB ALA A 16 -5.699 -4.463 5.923 1.00 0.00 C ATOM 0 H ALA A 16 -5.760 -2.000 5.851 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.240 -3.785 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.527 -5.515 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.760 -4.238 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.383 -4.258 4.900 1.00 0.00 H new ATOM 238 N PHE A 17 -2.713 -3.360 5.821 1.00 0.00 N ATOM 239 CA PHE A 17 -1.279 -3.521 5.663 1.00 0.00 C ATOM 240 C PHE A 17 -0.555 -3.054 6.930 1.00 0.00 C ATOM 241 O PHE A 17 0.236 -3.801 7.499 1.00 0.00 O ATOM 242 CB PHE A 17 -0.812 -2.757 4.416 1.00 0.00 C ATOM 243 CG PHE A 17 0.310 -3.437 3.667 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.052 -4.512 2.803 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.628 -2.984 3.846 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.108 -5.104 2.087 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.686 -3.590 3.153 1.00 0.00 C ATOM 248 CZ PHE A 17 2.423 -4.646 2.266 1.00 0.00 C ATOM 0 H PHE A 17 -3.139 -2.761 5.114 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.036 -4.574 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.659 -2.627 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.486 -1.760 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.955 -4.884 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.827 -2.165 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.907 -5.912 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.699 -3.246 3.301 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.233 -5.107 1.721 1.00 0.00 H new ATOM 258 N SER A 18 -0.858 -1.832 7.385 1.00 0.00 N ATOM 259 CA SER A 18 -0.218 -1.201 8.532 1.00 0.00 C ATOM 260 C SER A 18 -0.477 -1.974 9.825 1.00 0.00 C ATOM 261 O SER A 18 0.372 -1.967 10.716 1.00 0.00 O ATOM 262 CB SER A 18 -0.642 0.264 8.666 1.00 0.00 C ATOM 263 OG SER A 18 0.123 0.883 9.684 1.00 0.00 O ATOM 0 H SER A 18 -1.572 -1.246 6.952 1.00 0.00 H new ATOM 0 HA SER A 18 0.857 -1.223 8.354 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.497 0.784 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.704 0.327 8.905 1.00 0.00 H new ATOM 0 HG SER A 18 -0.146 1.821 9.770 1.00 0.00 H new ATOM 269 N ALA A 19 -1.642 -2.627 9.928 1.00 0.00 N ATOM 270 CA ALA A 19 -2.036 -3.404 11.094 1.00 0.00 C ATOM 271 C ALA A 19 -1.088 -4.576 11.370 1.00 0.00 C ATOM 272 O ALA A 19 -0.954 -4.977 12.525 1.00 0.00 O ATOM 273 CB ALA A 19 -3.476 -3.895 10.926 1.00 0.00 C ATOM 0 H ALA A 19 -2.343 -2.626 9.187 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.975 -2.748 11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.767 -4.476 11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.142 -3.039 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.546 -4.520 10.036 1.00 0.00 H new ATOM 279 N LEU A 20 -0.427 -5.128 10.340 1.00 0.00 N ATOM 280 CA LEU A 20 0.530 -6.215 10.549 1.00 0.00 C ATOM 281 C LEU A 20 1.792 -5.664 11.221 1.00 0.00 C ATOM 282 O LEU A 20 2.073 -4.475 11.078 1.00 0.00 O ATOM 283 CB LEU A 20 0.964 -6.866 9.222 1.00 0.00 C ATOM 284 CG LEU A 20 -0.129 -7.091 8.168 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.554 -7.548 6.874 1.00 0.00 C ATOM 286 CD2 LEU A 20 -1.151 -8.130 8.638 1.00 0.00 C ATOM 0 H LEU A 20 -0.538 -4.841 9.368 1.00 0.00 H new ATOM 0 HA LEU A 20 0.035 -6.961 11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.741 -6.244 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.419 -7.830 9.450 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.677 -6.164 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.200 -7.716 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.250 -6.779 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.098 -8.474 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.911 -8.266 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.647 -9.079 8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.623 -7.786 9.558 1.00 0.00 H new ATOM 298 N PRO A 21 2.598 -6.499 11.903 1.00 0.00 N ATOM 299 CA PRO A 21 3.918 -6.093 12.355 1.00 0.00 C ATOM 300 C PRO A 21 4.728 -5.551 11.177 1.00 0.00 C ATOM 301 O PRO A 21 4.734 -6.131 10.091 1.00 0.00 O ATOM 302 CB PRO A 21 4.580 -7.323 12.979 1.00 0.00 C ATOM 303 CG PRO A 21 3.674 -8.493 12.596 1.00 0.00 C ATOM 304 CD PRO A 21 2.310 -7.852 12.343 1.00 0.00 C ATOM 0 HA PRO A 21 3.859 -5.294 13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.591 -7.464 12.597 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.660 -7.223 14.061 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.042 -9.006 11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.623 -9.234 13.394 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.752 -8.402 11.585 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.702 -7.850 13.248 1.00 0.00 H new ATOM 312 N ARG A 22 5.374 -4.407 11.414 1.00 0.00 N ATOM 313 CA ARG A 22 6.030 -3.584 10.413 1.00 0.00 C ATOM 314 C ARG A 22 7.049 -4.351 9.573 1.00 0.00 C ATOM 315 O ARG A 22 7.214 -4.065 8.390 1.00 0.00 O ATOM 316 CB ARG A 22 6.706 -2.417 11.138 1.00 0.00 C ATOM 317 CG ARG A 22 7.115 -1.283 10.192 1.00 0.00 C ATOM 318 CD ARG A 22 5.917 -0.455 9.690 1.00 0.00 C ATOM 319 NE ARG A 22 5.125 0.104 10.798 1.00 0.00 N ATOM 320 CZ ARG A 22 3.821 0.443 10.766 1.00 0.00 C ATOM 321 NH1 ARG A 22 3.086 0.325 9.651 1.00 0.00 N ATOM 322 NH2 ARG A 22 3.241 0.913 11.878 1.00 0.00 N ATOM 0 H ARG A 22 5.454 -4.018 12.353 1.00 0.00 H new ATOM 0 HA ARG A 22 5.276 -3.232 9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.027 -2.024 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.589 -2.784 11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.815 -0.624 10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.643 -1.704 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.278 0.356 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.278 -1.083 9.069 1.00 0.00 H new ATOM 0 HE ARG A 22 5.614 0.250 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.512 -0.030 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.101 0.590 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.785 1.011 12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.255 1.173 11.868 1.00 0.00 H new ATOM 336 N TRP A 23 7.743 -5.314 10.183 1.00 0.00 N ATOM 337 CA TRP A 23 8.740 -6.106 9.484 1.00 0.00 C ATOM 338 C TRP A 23 8.073 -7.000 8.433 1.00 0.00 C ATOM 339 O TRP A 23 8.559 -7.106 7.307 1.00 0.00 O ATOM 340 CB TRP A 23 9.563 -6.883 10.516 1.00 0.00 C ATOM 341 CG TRP A 23 8.920 -8.148 11.005 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.207 -8.274 12.143 1.00 0.00 C ATOM 343 CD2 TRP A 23 8.856 -9.455 10.352 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.642 -9.531 12.211 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.986 -10.291 11.112 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.377 -9.993 9.155 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.634 -11.584 10.694 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.041 -11.292 8.734 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.166 -12.085 9.496 1.00 0.00 C ATOM 0 H TRP A 23 7.627 -5.560 11.166 1.00 0.00 H new ATOM 0 HA TRP A 23 9.427 -5.465 8.932 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.531 -7.129 10.079 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.755 -6.235 11.371 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.095 -7.504 12.892 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.048 -9.856 12.974 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.045 -9.396 8.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.962 -12.186 11.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.459 -11.683 7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.904 -13.077 9.160 1.00 0.00 H new ATOM 360 N LYS A 24 6.955 -7.636 8.809 1.00 0.00 N ATOM 361 CA LYS A 24 6.247 -8.601 7.985 1.00 0.00 C ATOM 362 C LYS A 24 5.678 -7.901 6.770 1.00 0.00 C ATOM 363 O LYS A 24 5.960 -8.264 5.634 1.00 0.00 O ATOM 364 CB LYS A 24 5.137 -9.266 8.808 1.00 0.00 C ATOM 365 CG LYS A 24 4.666 -10.557 8.130 1.00 0.00 C ATOM 366 CD LYS A 24 3.635 -11.307 8.979 1.00 0.00 C ATOM 367 CE LYS A 24 2.422 -10.425 9.292 1.00 0.00 C ATOM 368 NZ LYS A 24 1.311 -11.209 9.860 1.00 0.00 N ATOM 0 H LYS A 24 6.515 -7.484 9.717 1.00 0.00 H new ATOM 0 HA LYS A 24 6.933 -9.378 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.503 -9.487 9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.298 -8.580 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.232 -10.319 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.524 -11.204 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.309 -12.203 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.098 -11.636 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.712 -9.643 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.088 -9.928 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.508 -10.579 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.018 -11.939 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.622 -11.663 10.743 1.00 0.00 H new ATOM 382 N GLN A 25 4.898 -6.869 7.069 1.00 0.00 N ATOM 383 CA GLN A 25 4.355 -5.866 6.184 1.00 0.00 C ATOM 384 C GLN A 25 5.337 -5.500 5.071 1.00 0.00 C ATOM 385 O GLN A 25 5.013 -5.638 3.892 1.00 0.00 O ATOM 386 CB GLN A 25 4.060 -4.703 7.122 1.00 0.00 C ATOM 387 CG GLN A 25 3.295 -3.541 6.522 1.00 0.00 C ATOM 388 CD GLN A 25 3.074 -2.471 7.585 1.00 0.00 C ATOM 389 OE1 GLN A 25 3.274 -1.288 7.317 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.685 -2.879 8.799 1.00 0.00 N ATOM 0 H GLN A 25 4.607 -6.705 8.033 1.00 0.00 H new ATOM 0 HA GLN A 25 3.468 -6.198 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.495 -5.083 7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.006 -4.327 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.849 -3.124 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.337 -3.885 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.530 -3.871 8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.543 -2.198 9.545 1.00 0.00 H new ATOM 399 N GLN A 26 6.543 -5.054 5.435 1.00 0.00 N ATOM 400 CA GLN A 26 7.522 -4.594 4.479 1.00 0.00 C ATOM 401 C GLN A 26 8.073 -5.783 3.692 1.00 0.00 C ATOM 402 O GLN A 26 8.304 -5.658 2.494 1.00 0.00 O ATOM 403 CB GLN A 26 8.649 -3.862 5.225 1.00 0.00 C ATOM 404 CG GLN A 26 8.658 -2.406 4.776 1.00 0.00 C ATOM 405 CD GLN A 26 9.978 -1.711 5.093 1.00 0.00 C ATOM 406 OE1 GLN A 26 10.716 -1.340 4.184 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.278 -1.540 6.381 1.00 0.00 N ATOM 0 H GLN A 26 6.856 -5.007 6.405 1.00 0.00 H new ATOM 0 HA GLN A 26 7.059 -3.903 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.494 -3.926 6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.610 -4.330 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.473 -2.358 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.843 -1.872 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.634 -1.865 7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.152 -1.084 6.645 1.00 0.00 H new ATOM 416 N ASN A 27 8.271 -6.934 4.350 1.00 0.00 N ATOM 417 CA ASN A 27 8.683 -8.162 3.693 1.00 0.00 C ATOM 418 C ASN A 27 7.681 -8.587 2.612 1.00 0.00 C ATOM 419 O ASN A 27 8.117 -9.058 1.568 1.00 0.00 O ATOM 420 CB ASN A 27 8.938 -9.277 4.716 1.00 0.00 C ATOM 421 CG ASN A 27 9.510 -10.520 4.038 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.546 -10.448 3.381 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.835 -11.661 4.177 1.00 0.00 N ATOM 0 H ASN A 27 8.147 -7.030 5.358 1.00 0.00 H new ATOM 0 HA ASN A 27 9.628 -7.968 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.631 -8.923 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.007 -9.531 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.175 -12.512 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.978 -11.683 4.730 1.00 0.00 H new ATOM 430 N LEU A 28 6.366 -8.394 2.811 1.00 0.00 N ATOM 431 CA LEU A 28 5.386 -8.632 1.748 1.00 0.00 C ATOM 432 C LEU A 28 5.754 -7.782 0.527 1.00 0.00 C ATOM 433 O LEU A 28 5.890 -8.286 -0.584 1.00 0.00 O ATOM 434 CB LEU A 28 3.944 -8.268 2.158 1.00 0.00 C ATOM 435 CG LEU A 28 3.441 -8.669 3.548 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.963 -8.293 3.692 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.600 -10.158 3.807 1.00 0.00 C ATOM 0 H LEU A 28 5.963 -8.076 3.693 1.00 0.00 H new ATOM 0 HA LEU A 28 5.415 -9.700 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.841 -7.186 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.272 -8.713 1.424 1.00 0.00 H new ATOM 0 HG LEU A 28 4.045 -8.132 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.609 -8.580 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.847 -7.217 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.379 -8.814 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.230 -10.395 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.031 -10.719 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.653 -10.429 3.737 1.00 0.00 H new ATOM 449 N LYS A 29 5.902 -6.476 0.773 1.00 0.00 N ATOM 450 CA LYS A 29 6.149 -5.426 -0.203 1.00 0.00 C ATOM 451 C LYS A 29 7.455 -5.671 -0.975 1.00 0.00 C ATOM 452 O LYS A 29 7.527 -5.420 -2.178 1.00 0.00 O ATOM 453 CB LYS A 29 6.159 -4.099 0.575 1.00 0.00 C ATOM 454 CG LYS A 29 5.772 -2.873 -0.250 1.00 0.00 C ATOM 455 CD LYS A 29 5.872 -1.634 0.647 1.00 0.00 C ATOM 456 CE LYS A 29 5.336 -0.390 -0.063 1.00 0.00 C ATOM 457 NZ LYS A 29 5.559 0.822 0.745 1.00 0.00 N ATOM 0 H LYS A 29 5.848 -6.107 1.723 1.00 0.00 H new ATOM 0 HA LYS A 29 5.372 -5.405 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.474 -4.183 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.156 -3.943 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.432 -2.772 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.758 -2.981 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.310 -1.801 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.911 -1.473 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.826 -0.281 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.270 -0.510 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.475 1.663 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.849 0.869 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.511 0.790 1.164 1.00 0.00 H new ATOM 471 N LYS A 30 8.471 -6.185 -0.272 1.00 0.00 N ATOM 472 CA LYS A 30 9.808 -6.471 -0.772 1.00 0.00 C ATOM 473 C LYS A 30 9.852 -7.775 -1.571 1.00 0.00 C ATOM 474 O LYS A 30 10.437 -7.802 -2.652 1.00 0.00 O ATOM 475 CB LYS A 30 10.781 -6.490 0.417 1.00 0.00 C ATOM 476 CG LYS A 30 11.196 -5.050 0.726 1.00 0.00 C ATOM 477 CD LYS A 30 12.016 -4.921 2.013 1.00 0.00 C ATOM 478 CE LYS A 30 12.757 -3.576 2.053 1.00 0.00 C ATOM 479 NZ LYS A 30 11.868 -2.426 1.804 1.00 0.00 N ATOM 0 H LYS A 30 8.370 -6.423 0.715 1.00 0.00 H new ATOM 0 HA LYS A 30 10.108 -5.688 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.307 -6.943 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.657 -7.094 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.778 -4.660 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.303 -4.431 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.359 -5.006 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.734 -5.739 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.233 -3.457 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.553 -3.582 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.436 -1.559 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.343 -2.578 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.197 -2.329 2.592 1.00 0.00 H new ATOM 493 N GLU A 31 9.228 -8.844 -1.063 1.00 0.00 N ATOM 494 CA GLU A 31 9.077 -10.107 -1.781 1.00 0.00 C ATOM 495 C GLU A 31 8.345 -9.873 -3.104 1.00 0.00 C ATOM 496 O GLU A 31 8.746 -10.402 -4.139 1.00 0.00 O ATOM 497 CB GLU A 31 8.309 -11.117 -0.921 1.00 0.00 C ATOM 498 CG GLU A 31 9.188 -11.653 0.219 1.00 0.00 C ATOM 499 CD GLU A 31 8.397 -12.495 1.217 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.919 -13.495 1.705 1.00 0.00 O ATOM 501 OE2 GLU A 31 7.142 -12.060 1.526 1.00 0.00 O ATOM 0 H GLU A 31 8.811 -8.853 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 31 10.066 -10.512 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.419 -10.644 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.969 -11.945 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.995 -12.254 -0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.652 -10.816 0.741 1.00 0.00 H new ATOM 509 N LYS A 32 7.285 -9.058 -3.062 1.00 0.00 N ATOM 510 CA LYS A 32 6.521 -8.650 -4.231 1.00 0.00 C ATOM 511 C LYS A 32 7.386 -7.819 -5.182 1.00 0.00 C ATOM 512 O LYS A 32 7.283 -7.973 -6.397 1.00 0.00 O ATOM 513 CB LYS A 32 5.306 -7.853 -3.756 1.00 0.00 C ATOM 514 CG LYS A 32 4.259 -7.644 -4.853 1.00 0.00 C ATOM 515 CD LYS A 32 3.019 -7.054 -4.177 1.00 0.00 C ATOM 516 CE LYS A 32 1.953 -6.579 -5.160 1.00 0.00 C ATOM 517 NZ LYS A 32 1.227 -7.690 -5.798 1.00 0.00 N ATOM 0 H LYS A 32 6.932 -8.659 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 32 6.190 -9.529 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.845 -8.372 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.637 -6.882 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.636 -6.971 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.020 -8.588 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.584 -7.805 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.322 -6.216 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.242 -5.940 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.423 -5.968 -5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.391 -7.319 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.851 -8.166 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.926 -8.371 -5.072 1.00 0.00 H new ATOM 531 N GLY A 33 8.237 -6.951 -4.622 1.00 0.00 N ATOM 532 CA GLY A 33 9.207 -6.167 -5.368 1.00 0.00 C ATOM 533 C GLY A 33 8.730 -4.743 -5.643 1.00 0.00 C ATOM 534 O GLY A 33 9.294 -4.079 -6.511 1.00 0.00 O ATOM 0 H GLY A 33 8.265 -6.776 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.143 -6.131 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.418 -6.664 -6.315 1.00 0.00 H new ATOM 538 N LEU A 34 7.705 -4.262 -4.923 1.00 0.00 N ATOM 539 CA LEU A 34 7.251 -2.882 -5.060 1.00 0.00 C ATOM 540 C LEU A 34 8.294 -1.949 -4.443 1.00 0.00 C ATOM 541 O LEU A 34 8.943 -1.178 -5.147 1.00 0.00 O ATOM 542 CB LEU A 34 5.882 -2.686 -4.392 1.00 0.00 C ATOM 543 CG LEU A 34 4.805 -3.680 -4.841 1.00 0.00 C ATOM 544 CD1 LEU A 34 3.524 -3.332 -4.076 1.00 0.00 C ATOM 545 CD2 LEU A 34 4.579 -3.623 -6.355 1.00 0.00 C ATOM 0 H LEU A 34 7.180 -4.812 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 34 7.136 -2.646 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.005 -2.766 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.533 -1.674 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 34 5.119 -4.700 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.729 -4.018 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.705 -3.419 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.226 -2.310 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.809 -4.342 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.260 -2.620 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.508 -3.867 -6.871 1.00 0.00 H new ATOM 557 N PHE A 35 8.446 -2.047 -3.120 1.00 0.00 N ATOM 558 CA PHE A 35 9.479 -1.366 -2.350 1.00 0.00 C ATOM 559 C PHE A 35 9.860 -2.226 -1.146 1.00 0.00 C ATOM 560 O PHE A 35 11.077 -2.353 -0.891 1.00 0.00 O ATOM 561 CB PHE A 35 8.982 0.011 -1.897 1.00 0.00 C ATOM 562 CG PHE A 35 9.926 0.731 -0.952 1.00 0.00 C ATOM 563 CD1 PHE A 35 10.960 1.537 -1.463 1.00 0.00 C ATOM 564 CD2 PHE A 35 9.785 0.577 0.441 1.00 0.00 C ATOM 565 CE1 PHE A 35 11.851 2.179 -0.587 1.00 0.00 C ATOM 566 CE2 PHE A 35 10.679 1.215 1.317 1.00 0.00 C ATOM 567 CZ PHE A 35 11.712 2.018 0.803 1.00 0.00 C ATOM 568 OXT PHE A 35 8.927 -2.713 -0.472 1.00 0.00 O ATOM 0 H PHE A 35 7.833 -2.621 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 35 10.360 -1.218 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.820 0.634 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.015 -0.107 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.069 1.662 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.987 -0.034 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.644 2.797 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.573 1.089 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.399 2.511 1.475 1.00 0.00 H new TER 578 PHE A 35