USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 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 Single : A 2 SER OG : rot 180:sc= 0.149 USER MOD Single : A 7 THR OG1 : rot -83:sc= 0.617 USER MOD Single : A 8 GLN : amide:sc= 0.0814 X(o=0.081,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 115:sc= 0.384 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.3!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.633 (180deg=0.543) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 0.369 (180deg=0.00954) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 6.475 7.246 -0.741 1.00 0.00 C HETATM 2 O ACE A 0 6.073 7.903 -1.701 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.536 7.816 0.192 1.00 0.00 C HETATM 0 H1 ACE A 0 7.136 7.876 1.204 1.00 0.00 H new HETATM 0 H2 ACE A 0 8.412 7.168 0.186 1.00 0.00 H new HETATM 0 H3 ACE A 0 7.820 8.813 -0.145 1.00 0.00 H new ATOM 7 N LEU A 1 6.023 6.020 -0.453 1.00 0.00 N ATOM 8 CA LEU A 1 4.999 5.344 -1.235 1.00 0.00 C ATOM 9 C LEU A 1 3.654 6.047 -1.046 1.00 0.00 C ATOM 10 O LEU A 1 3.155 6.132 0.075 1.00 0.00 O ATOM 11 CB LEU A 1 4.918 3.868 -0.813 1.00 0.00 C ATOM 12 CG LEU A 1 3.752 3.106 -1.467 1.00 0.00 C ATOM 13 CD1 LEU A 1 3.825 3.127 -2.995 1.00 0.00 C ATOM 14 CD2 LEU A 1 3.743 1.650 -1.000 1.00 0.00 C ATOM 0 H LEU A 1 6.364 5.471 0.336 1.00 0.00 H new ATOM 0 HA LEU A 1 5.257 5.385 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.855 3.373 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.815 3.813 0.271 1.00 0.00 H new ATOM 0 HG LEU A 1 2.837 3.613 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.980 2.576 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.792 4.158 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.755 2.662 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.913 1.122 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.682 1.172 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.627 1.616 0.083 1.00 0.00 H new ATOM 26 N SER A 2 3.053 6.516 -2.147 1.00 0.00 N ATOM 27 CA SER A 2 1.692 7.028 -2.132 1.00 0.00 C ATOM 28 C SER A 2 0.718 5.884 -1.854 1.00 0.00 C ATOM 29 O SER A 2 0.889 4.778 -2.368 1.00 0.00 O ATOM 30 CB SER A 2 1.360 7.716 -3.462 1.00 0.00 C ATOM 31 OG SER A 2 1.337 6.788 -4.527 1.00 0.00 O ATOM 0 H SER A 2 3.500 6.548 -3.064 1.00 0.00 H new ATOM 0 HA SER A 2 1.599 7.771 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.392 8.211 -3.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.098 8.491 -3.668 1.00 0.00 H new ATOM 0 HG SER A 2 1.121 7.254 -5.362 1.00 0.00 H new ATOM 37 N ILE A 3 -0.317 6.160 -1.053 1.00 0.00 N ATOM 38 CA ILE A 3 -1.368 5.210 -0.726 1.00 0.00 C ATOM 39 C ILE A 3 -2.021 4.690 -2.017 1.00 0.00 C ATOM 40 O ILE A 3 -2.471 3.548 -2.073 1.00 0.00 O ATOM 41 CB ILE A 3 -2.364 5.899 0.242 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.139 5.281 1.631 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.837 5.747 -0.175 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.032 5.858 2.732 1.00 0.00 C ATOM 0 H ILE A 3 -0.443 7.070 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.970 4.332 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.173 6.972 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.308 4.206 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.096 5.423 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.474 6.254 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.984 6.190 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.098 4.689 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.807 5.366 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.847 6.928 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.078 5.692 2.476 1.00 0.00 H new ATOM 56 N GLU A 4 -2.059 5.526 -3.061 1.00 0.00 N ATOM 57 CA GLU A 4 -2.651 5.190 -4.340 1.00 0.00 C ATOM 58 C GLU A 4 -1.847 4.088 -5.020 1.00 0.00 C ATOM 59 O GLU A 4 -2.407 3.074 -5.431 1.00 0.00 O ATOM 60 CB GLU A 4 -2.717 6.441 -5.231 1.00 0.00 C ATOM 61 CG GLU A 4 -3.905 7.348 -4.883 1.00 0.00 C ATOM 62 CD GLU A 4 -3.762 8.043 -3.528 1.00 0.00 C ATOM 63 OE1 GLU A 4 -2.643 8.303 -3.087 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.929 8.329 -2.884 1.00 0.00 O ATOM 0 H GLU A 4 -1.670 6.468 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.665 4.824 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.790 7.006 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.790 6.136 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.016 8.104 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.819 6.754 -4.884 1.00 0.00 H new ATOM 72 N ASP A 5 -0.532 4.280 -5.143 1.00 0.00 N ATOM 73 CA ASP A 5 0.342 3.269 -5.712 1.00 0.00 C ATOM 74 C ASP A 5 0.286 1.989 -4.874 1.00 0.00 C ATOM 75 O ASP A 5 0.235 0.900 -5.441 1.00 0.00 O ATOM 76 CB ASP A 5 1.757 3.836 -5.827 1.00 0.00 C ATOM 77 CG ASP A 5 2.748 2.870 -6.476 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.346 2.006 -7.253 1.00 0.00 O ATOM 79 OD2 ASP A 5 4.057 3.051 -6.140 1.00 0.00 O ATOM 0 H ASP A 5 -0.053 5.133 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 5 0.009 3.001 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.725 4.757 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.117 4.100 -4.832 1.00 0.00 H new ATOM 85 N PHE A 6 0.249 2.117 -3.539 1.00 0.00 N ATOM 86 CA PHE A 6 0.098 0.972 -2.645 1.00 0.00 C ATOM 87 C PHE A 6 -1.123 0.127 -3.022 1.00 0.00 C ATOM 88 O PHE A 6 -0.975 -1.044 -3.360 1.00 0.00 O ATOM 89 CB PHE A 6 0.013 1.386 -1.166 1.00 0.00 C ATOM 90 CG PHE A 6 -0.207 0.180 -0.273 1.00 0.00 C ATOM 91 CD1 PHE A 6 0.858 -0.691 0.021 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.504 -0.139 0.171 1.00 0.00 C ATOM 93 CE1 PHE A 6 0.589 -1.962 0.551 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.775 -1.418 0.682 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.734 -2.349 0.821 1.00 0.00 C ATOM 0 H PHE A 6 0.323 3.013 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 6 0.998 0.369 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.931 1.895 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.802 2.096 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.877 -0.383 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.290 0.600 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.401 -2.645 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.782 -1.685 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.949 -3.360 1.135 1.00 0.00 H new ATOM 105 N THR A 7 -2.326 0.712 -2.942 1.00 0.00 N ATOM 106 CA THR A 7 -3.586 0.028 -3.160 1.00 0.00 C ATOM 107 C THR A 7 -3.626 -0.638 -4.534 1.00 0.00 C ATOM 108 O THR A 7 -4.025 -1.794 -4.639 1.00 0.00 O ATOM 109 CB THR A 7 -4.731 1.035 -3.005 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.477 2.234 -3.705 1.00 0.00 O ATOM 111 CG2 THR A 7 -5.019 1.357 -1.539 1.00 0.00 C ATOM 0 H THR A 7 -2.441 1.700 -2.717 1.00 0.00 H new ATOM 0 HA THR A 7 -3.695 -0.764 -2.419 1.00 0.00 H new ATOM 0 HB THR A 7 -5.610 0.555 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.914 2.820 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.837 2.074 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.297 0.443 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.128 1.783 -1.078 1.00 0.00 H new ATOM 119 N GLN A 8 -3.201 0.082 -5.577 1.00 0.00 N ATOM 120 CA GLN A 8 -3.139 -0.446 -6.933 1.00 0.00 C ATOM 121 C GLN A 8 -2.183 -1.639 -7.032 1.00 0.00 C ATOM 122 O GLN A 8 -2.517 -2.639 -7.664 1.00 0.00 O ATOM 123 CB GLN A 8 -2.725 0.668 -7.902 1.00 0.00 C ATOM 124 CG GLN A 8 -3.844 1.704 -8.064 1.00 0.00 C ATOM 125 CD GLN A 8 -3.382 2.890 -8.906 1.00 0.00 C ATOM 126 OE1 GLN A 8 -3.804 3.049 -10.050 1.00 0.00 O ATOM 127 NE2 GLN A 8 -2.512 3.727 -8.339 1.00 0.00 N ATOM 0 H GLN A 8 -2.890 1.050 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.130 -0.807 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.823 1.157 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.481 0.237 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.710 1.237 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.164 2.054 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.188 3.558 -7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.171 4.537 -8.857 1.00 0.00 H new ATOM 136 N ALA A 9 -0.999 -1.538 -6.419 1.00 0.00 N ATOM 137 CA ALA A 9 0.040 -2.555 -6.518 1.00 0.00 C ATOM 138 C ALA A 9 -0.325 -3.818 -5.734 1.00 0.00 C ATOM 139 O ALA A 9 0.021 -4.923 -6.157 1.00 0.00 O ATOM 140 CB ALA A 9 1.378 -1.985 -6.037 1.00 0.00 C ATOM 0 H ALA A 9 -0.738 -0.741 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 9 0.131 -2.842 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.149 -2.752 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.653 -1.130 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.286 -1.667 -4.999 1.00 0.00 H new ATOM 146 N PHE A 10 -1.000 -3.662 -4.588 1.00 0.00 N ATOM 147 CA PHE A 10 -1.278 -4.765 -3.676 1.00 0.00 C ATOM 148 C PHE A 10 -2.647 -5.388 -3.921 1.00 0.00 C ATOM 149 O PHE A 10 -2.779 -6.609 -3.865 1.00 0.00 O ATOM 150 CB PHE A 10 -1.128 -4.325 -2.212 1.00 0.00 C ATOM 151 CG PHE A 10 0.046 -5.016 -1.558 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.081 -6.336 -1.086 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.290 -4.365 -1.497 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.056 -7.034 -0.646 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.408 -5.041 -0.991 1.00 0.00 C ATOM 156 CZ PHE A 10 2.305 -6.392 -0.618 1.00 0.00 C ATOM 0 H PHE A 10 -1.367 -2.764 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.536 -5.537 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.991 -3.245 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.042 -4.555 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.051 -6.811 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.384 -3.345 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.970 -8.063 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.350 -4.523 -0.887 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.186 -6.936 -0.310 1.00 0.00 H new ATOM 166 N GLY A 11 -3.661 -4.549 -4.149 1.00 0.00 N ATOM 167 CA GLY A 11 -5.051 -4.978 -4.185 1.00 0.00 C ATOM 168 C GLY A 11 -5.608 -5.169 -2.771 1.00 0.00 C ATOM 169 O GLY A 11 -6.514 -5.977 -2.579 1.00 0.00 O ATOM 0 H GLY A 11 -3.535 -3.550 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.649 -4.238 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.132 -5.913 -4.740 1.00 0.00 H new ATOM 173 N MET A 12 -5.059 -4.442 -1.786 1.00 0.00 N ATOM 174 CA MET A 12 -5.501 -4.455 -0.397 1.00 0.00 C ATOM 175 C MET A 12 -5.509 -3.028 0.138 1.00 0.00 C ATOM 176 O MET A 12 -4.942 -2.117 -0.465 1.00 0.00 O ATOM 177 CB MET A 12 -4.581 -5.360 0.440 1.00 0.00 C ATOM 178 CG MET A 12 -5.074 -5.661 1.859 1.00 0.00 C ATOM 179 SD MET A 12 -4.476 -7.221 2.576 1.00 0.00 S ATOM 180 CE MET A 12 -2.731 -6.836 2.865 1.00 0.00 C ATOM 0 H MET A 12 -4.272 -3.813 -1.946 1.00 0.00 H new ATOM 0 HA MET A 12 -6.512 -4.858 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.448 -6.304 -0.089 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.599 -4.891 0.506 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.773 -4.842 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.164 -5.678 1.851 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.235 -7.702 3.303 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.252 -6.584 1.919 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.653 -5.990 3.547 1.00 0.00 H new ATOM 190 N THR A 13 -6.153 -2.858 1.292 1.00 0.00 N ATOM 191 CA THR A 13 -6.183 -1.614 2.043 1.00 0.00 C ATOM 192 C THR A 13 -4.855 -1.376 2.763 1.00 0.00 C ATOM 193 O THR A 13 -4.251 -2.318 3.279 1.00 0.00 O ATOM 194 CB THR A 13 -7.399 -1.554 2.999 1.00 0.00 C ATOM 195 OG1 THR A 13 -7.026 -1.073 4.267 1.00 0.00 O ATOM 196 CG2 THR A 13 -8.088 -2.898 3.261 1.00 0.00 C ATOM 0 H THR A 13 -6.682 -3.607 1.739 1.00 0.00 H new ATOM 0 HA THR A 13 -6.311 -0.795 1.335 1.00 0.00 H new ATOM 0 HB THR A 13 -8.091 -0.894 2.476 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.465 -0.213 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.926 -2.750 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.453 -3.309 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.375 -3.591 3.708 1.00 0.00 H new ATOM 204 N PRO A 14 -4.407 -0.112 2.836 1.00 0.00 N ATOM 205 CA PRO A 14 -3.260 0.271 3.630 1.00 0.00 C ATOM 206 C PRO A 14 -3.572 0.144 5.122 1.00 0.00 C ATOM 207 O PRO A 14 -2.635 0.057 5.907 1.00 0.00 O ATOM 208 CB PRO A 14 -2.949 1.715 3.235 1.00 0.00 C ATOM 209 CG PRO A 14 -4.319 2.273 2.859 1.00 0.00 C ATOM 210 CD PRO A 14 -5.042 1.066 2.265 1.00 0.00 C ATOM 0 HA PRO A 14 -2.401 -0.375 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.500 2.270 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.251 1.763 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.844 2.668 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.237 3.087 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.104 1.091 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.963 1.062 1.178 1.00 0.00 H new ATOM 218 N ALA A 15 -4.853 0.107 5.527 1.00 0.00 N ATOM 219 CA ALA A 15 -5.200 -0.103 6.929 1.00 0.00 C ATOM 220 C ALA A 15 -4.904 -1.551 7.325 1.00 0.00 C ATOM 221 O ALA A 15 -4.249 -1.793 8.338 1.00 0.00 O ATOM 222 CB ALA A 15 -6.660 0.272 7.199 1.00 0.00 C ATOM 0 H ALA A 15 -5.653 0.219 4.904 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.586 0.552 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.890 0.105 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.817 1.323 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.314 -0.345 6.583 1.00 0.00 H new ATOM 228 N ALA A 16 -5.351 -2.508 6.498 1.00 0.00 N ATOM 229 CA ALA A 16 -5.027 -3.922 6.655 1.00 0.00 C ATOM 230 C ALA A 16 -3.517 -4.125 6.699 1.00 0.00 C ATOM 231 O ALA A 16 -3.008 -4.836 7.564 1.00 0.00 O ATOM 232 CB ALA A 16 -5.626 -4.731 5.500 1.00 0.00 C ATOM 0 H ALA A 16 -5.952 -2.314 5.697 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.454 -4.270 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.378 -5.785 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.709 -4.611 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.217 -4.374 4.555 1.00 0.00 H new ATOM 238 N PHE A 17 -2.806 -3.480 5.769 1.00 0.00 N ATOM 239 CA PHE A 17 -1.357 -3.530 5.701 1.00 0.00 C ATOM 240 C PHE A 17 -0.742 -3.002 6.998 1.00 0.00 C ATOM 241 O PHE A 17 0.109 -3.661 7.588 1.00 0.00 O ATOM 242 CB PHE A 17 -0.878 -2.734 4.476 1.00 0.00 C ATOM 243 CG PHE A 17 0.363 -3.292 3.813 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.286 -4.541 3.176 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.570 -2.568 3.787 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.384 -5.044 2.468 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.695 -3.106 3.132 1.00 0.00 C ATOM 248 CZ PHE A 17 2.598 -4.346 2.476 1.00 0.00 C ATOM 0 H PHE A 17 -3.231 -2.906 5.040 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.029 -4.563 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.683 -2.701 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.681 -1.706 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.626 -5.117 3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.633 -1.603 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.295 -5.968 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.631 -2.567 3.134 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.461 -4.761 1.977 1.00 0.00 H new ATOM 258 N SER A 18 -1.202 -1.825 7.440 1.00 0.00 N ATOM 259 CA SER A 18 -0.652 -1.068 8.561 1.00 0.00 C ATOM 260 C SER A 18 -0.755 -1.846 9.871 1.00 0.00 C ATOM 261 O SER A 18 0.146 -1.759 10.704 1.00 0.00 O ATOM 262 CB SER A 18 -1.347 0.293 8.683 1.00 0.00 C ATOM 263 OG SER A 18 -0.775 1.047 9.732 1.00 0.00 O ATOM 0 H SER A 18 -1.999 -1.359 7.006 1.00 0.00 H new ATOM 0 HA SER A 18 0.407 -0.903 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.258 0.839 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.411 0.149 8.869 1.00 0.00 H new ATOM 0 HG SER A 18 -1.228 1.914 9.797 1.00 0.00 H new ATOM 269 N ALA A 19 -1.851 -2.597 10.040 1.00 0.00 N ATOM 270 CA ALA A 19 -2.124 -3.398 11.225 1.00 0.00 C ATOM 271 C ALA A 19 -1.007 -4.398 11.542 1.00 0.00 C ATOM 272 O ALA A 19 -0.811 -4.733 12.709 1.00 0.00 O ATOM 273 CB ALA A 19 -3.459 -4.126 11.045 1.00 0.00 C ATOM 0 H ALA A 19 -2.586 -2.661 9.336 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.176 -2.719 12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.668 -4.727 11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.256 -3.395 10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.405 -4.774 10.170 1.00 0.00 H new ATOM 279 N LEU A 20 -0.278 -4.884 10.526 1.00 0.00 N ATOM 280 CA LEU A 20 0.788 -5.860 10.743 1.00 0.00 C ATOM 281 C LEU A 20 2.002 -5.181 11.388 1.00 0.00 C ATOM 282 O LEU A 20 2.153 -3.967 11.262 1.00 0.00 O ATOM 283 CB LEU A 20 1.236 -6.497 9.414 1.00 0.00 C ATOM 284 CG LEU A 20 0.103 -6.898 8.455 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.726 -7.311 7.119 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.739 -8.041 9.031 1.00 0.00 C ATOM 0 H LEU A 20 -0.410 -4.615 9.551 1.00 0.00 H new ATOM 0 HA LEU A 20 0.395 -6.636 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.893 -5.796 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.829 -7.384 9.638 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.565 -6.049 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.062 -7.600 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.287 -6.473 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.398 -8.155 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.531 -8.300 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.105 -8.911 9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.182 -7.726 9.976 1.00 0.00 H new ATOM 298 N PRO A 21 2.903 -5.928 12.050 1.00 0.00 N ATOM 299 CA PRO A 21 4.187 -5.393 12.474 1.00 0.00 C ATOM 300 C PRO A 21 4.947 -4.844 11.265 1.00 0.00 C ATOM 301 O PRO A 21 4.928 -5.440 10.187 1.00 0.00 O ATOM 302 CB PRO A 21 4.952 -6.545 13.128 1.00 0.00 C ATOM 303 CG PRO A 21 4.187 -7.802 12.709 1.00 0.00 C ATOM 304 CD PRO A 21 2.760 -7.302 12.493 1.00 0.00 C ATOM 0 HA PRO A 21 4.064 -4.571 13.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.987 -6.578 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.977 -6.439 14.213 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.601 -8.238 11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.229 -8.572 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.240 -7.904 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.178 -7.361 13.413 1.00 0.00 H new ATOM 312 N ARG A 22 5.591 -3.689 11.463 1.00 0.00 N ATOM 313 CA ARG A 22 6.220 -2.898 10.418 1.00 0.00 C ATOM 314 C ARG A 22 7.229 -3.708 9.598 1.00 0.00 C ATOM 315 O ARG A 22 7.345 -3.497 8.393 1.00 0.00 O ATOM 316 CB ARG A 22 6.899 -1.679 11.064 1.00 0.00 C ATOM 317 CG ARG A 22 7.248 -0.591 10.039 1.00 0.00 C ATOM 318 CD ARG A 22 6.273 0.595 10.059 1.00 0.00 C ATOM 319 NE ARG A 22 4.871 0.209 9.819 1.00 0.00 N ATOM 320 CZ ARG A 22 3.863 0.270 10.711 1.00 0.00 C ATOM 321 NH1 ARG A 22 4.089 0.480 12.017 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.603 0.123 10.285 1.00 0.00 N ATOM 0 H ARG A 22 5.688 -3.271 12.389 1.00 0.00 H new ATOM 0 HA ARG A 22 5.448 -2.574 9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.240 -1.260 11.824 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.808 -2.000 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.257 -0.227 10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.255 -1.030 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.343 1.096 11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.577 1.318 9.302 1.00 0.00 H new ATOM 0 HE ARG A 22 4.642 -0.138 8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.043 0.598 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.306 0.521 12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.414 -0.033 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.831 0.167 10.950 1.00 0.00 H new ATOM 336 N TRP A 23 7.959 -4.631 10.238 1.00 0.00 N ATOM 337 CA TRP A 23 8.937 -5.451 9.534 1.00 0.00 C ATOM 338 C TRP A 23 8.249 -6.328 8.486 1.00 0.00 C ATOM 339 O TRP A 23 8.703 -6.409 7.346 1.00 0.00 O ATOM 340 CB TRP A 23 9.773 -6.267 10.531 1.00 0.00 C ATOM 341 CG TRP A 23 9.148 -7.539 11.026 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.494 -7.683 12.197 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.069 -8.842 10.367 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.967 -8.955 12.293 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.277 -9.707 11.178 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.534 -9.365 9.139 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.953 -11.015 10.788 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.218 -10.677 8.740 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.427 -11.500 9.559 1.00 0.00 C ATOM 0 H TRP A 23 7.887 -4.823 11.237 1.00 0.00 H new ATOM 0 HA TRP A 23 9.628 -4.801 8.998 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.726 -6.512 10.061 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.995 -5.636 11.391 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.397 -6.915 12.950 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.420 -9.295 13.084 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.143 -8.747 8.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.346 -11.641 11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.586 -11.054 7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.184 -12.504 9.244 1.00 0.00 H new ATOM 360 N LYS A 24 7.151 -6.982 8.885 1.00 0.00 N ATOM 361 CA LYS A 24 6.461 -7.963 8.069 1.00 0.00 C ATOM 362 C LYS A 24 5.849 -7.272 6.871 1.00 0.00 C ATOM 363 O LYS A 24 6.134 -7.623 5.734 1.00 0.00 O ATOM 364 CB LYS A 24 5.390 -8.679 8.903 1.00 0.00 C ATOM 365 CG LYS A 24 4.955 -9.979 8.218 1.00 0.00 C ATOM 366 CD LYS A 24 4.059 -10.834 9.121 1.00 0.00 C ATOM 367 CE LYS A 24 2.797 -10.079 9.547 1.00 0.00 C ATOM 368 NZ LYS A 24 1.858 -10.956 10.269 1.00 0.00 N ATOM 0 H LYS A 24 6.719 -6.836 9.797 1.00 0.00 H new ATOM 0 HA LYS A 24 7.167 -8.714 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.781 -8.898 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.528 -8.026 9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.421 -9.742 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.838 -10.553 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.777 -11.746 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.618 -11.137 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.073 -9.238 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.305 -9.665 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.015 -10.412 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.576 -11.745 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.319 -11.331 11.122 1.00 0.00 H new ATOM 382 N GLN A 25 5.040 -6.262 7.183 1.00 0.00 N ATOM 383 CA GLN A 25 4.437 -5.292 6.297 1.00 0.00 C ATOM 384 C GLN A 25 5.364 -4.941 5.135 1.00 0.00 C ATOM 385 O GLN A 25 5.011 -5.146 3.979 1.00 0.00 O ATOM 386 CB GLN A 25 4.140 -4.095 7.194 1.00 0.00 C ATOM 387 CG GLN A 25 3.210 -3.037 6.621 1.00 0.00 C ATOM 388 CD GLN A 25 2.839 -2.055 7.730 1.00 0.00 C ATOM 389 OE1 GLN A 25 3.029 -0.848 7.597 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.330 -2.584 8.847 1.00 0.00 N ATOM 0 H GLN A 25 4.771 -6.094 8.153 1.00 0.00 H new ATOM 0 HA GLN A 25 3.533 -5.667 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.707 -4.464 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.085 -3.617 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.697 -2.512 5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.313 -3.504 6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.188 -3.592 8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.083 -1.980 9.631 1.00 0.00 H new ATOM 399 N GLN A 26 6.567 -4.442 5.434 1.00 0.00 N ATOM 400 CA GLN A 26 7.477 -3.967 4.419 1.00 0.00 C ATOM 401 C GLN A 26 8.055 -5.158 3.651 1.00 0.00 C ATOM 402 O GLN A 26 8.223 -5.086 2.435 1.00 0.00 O ATOM 403 CB GLN A 26 8.579 -3.146 5.107 1.00 0.00 C ATOM 404 CG GLN A 26 8.449 -1.703 4.637 1.00 0.00 C ATOM 405 CD GLN A 26 9.673 -0.865 4.992 1.00 0.00 C ATOM 406 OE1 GLN A 26 10.372 -0.376 4.107 1.00 0.00 O ATOM 407 NE2 GLN A 26 9.935 -0.696 6.290 1.00 0.00 N ATOM 0 H GLN A 26 6.925 -4.361 6.386 1.00 0.00 H new ATOM 0 HA GLN A 26 6.962 -3.331 3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.479 -3.205 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.563 -3.542 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.302 -1.687 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.563 -1.256 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.328 -1.120 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.742 -0.143 6.580 1.00 0.00 H new ATOM 416 N ASN A 27 8.331 -6.262 4.359 1.00 0.00 N ATOM 417 CA ASN A 27 8.797 -7.497 3.754 1.00 0.00 C ATOM 418 C ASN A 27 7.789 -8.055 2.738 1.00 0.00 C ATOM 419 O ASN A 27 8.222 -8.651 1.756 1.00 0.00 O ATOM 420 CB ASN A 27 9.165 -8.517 4.839 1.00 0.00 C ATOM 421 CG ASN A 27 9.774 -9.783 4.243 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.934 -9.785 3.837 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.996 -10.866 4.195 1.00 0.00 N ATOM 0 H ASN A 27 8.233 -6.314 5.373 1.00 0.00 H new ATOM 0 HA ASN A 27 9.702 -7.279 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.872 -8.067 5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.274 -8.777 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.359 -11.738 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.038 -10.822 4.543 1.00 0.00 H new ATOM 430 N LEU A 28 6.475 -7.839 2.927 1.00 0.00 N ATOM 431 CA LEU A 28 5.463 -8.224 1.942 1.00 0.00 C ATOM 432 C LEU A 28 5.750 -7.532 0.608 1.00 0.00 C ATOM 433 O LEU A 28 5.835 -8.179 -0.434 1.00 0.00 O ATOM 434 CB LEU A 28 4.028 -7.863 2.378 1.00 0.00 C ATOM 435 CG LEU A 28 3.586 -8.253 3.792 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.099 -7.965 4.011 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.845 -9.725 4.056 1.00 0.00 C ATOM 0 H LEU A 28 6.092 -7.396 3.762 1.00 0.00 H new ATOM 0 HA LEU A 28 5.522 -9.308 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.910 -6.784 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.338 -8.327 1.673 1.00 0.00 H new ATOM 0 HG LEU A 28 4.172 -7.650 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.818 -8.253 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.910 -6.901 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.508 -8.536 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.522 -9.976 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.289 -10.327 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.910 -9.931 3.954 1.00 0.00 H new ATOM 449 N LYS A 29 5.885 -6.202 0.657 1.00 0.00 N ATOM 450 CA LYS A 29 6.115 -5.367 -0.509 1.00 0.00 C ATOM 451 C LYS A 29 7.412 -5.772 -1.213 1.00 0.00 C ATOM 452 O LYS A 29 7.450 -5.864 -2.440 1.00 0.00 O ATOM 453 CB LYS A 29 6.112 -3.895 -0.068 1.00 0.00 C ATOM 454 CG LYS A 29 6.009 -2.954 -1.272 1.00 0.00 C ATOM 455 CD LYS A 29 6.027 -1.472 -0.879 1.00 0.00 C ATOM 456 CE LYS A 29 7.340 -1.071 -0.191 1.00 0.00 C ATOM 457 NZ LYS A 29 7.788 0.266 -0.618 1.00 0.00 N ATOM 0 H LYS A 29 5.835 -5.674 1.528 1.00 0.00 H new ATOM 0 HA LYS A 29 5.318 -5.504 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.276 -3.717 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.023 -3.678 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.836 -3.153 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.089 -3.169 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.884 -0.860 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.191 -1.265 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.203 -1.082 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.112 -1.805 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.726 0.463 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.844 0.298 -1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.111 0.982 -0.286 1.00 0.00 H new ATOM 471 N LYS A 30 8.462 -6.045 -0.431 1.00 0.00 N ATOM 472 CA LYS A 30 9.749 -6.470 -0.928 1.00 0.00 C ATOM 473 C LYS A 30 9.635 -7.803 -1.671 1.00 0.00 C ATOM 474 O LYS A 30 10.001 -7.876 -2.843 1.00 0.00 O ATOM 475 CB LYS A 30 10.704 -6.549 0.268 1.00 0.00 C ATOM 476 CG LYS A 30 12.124 -6.843 -0.206 1.00 0.00 C ATOM 477 CD LYS A 30 13.147 -6.865 0.937 1.00 0.00 C ATOM 478 CE LYS A 30 12.844 -7.971 1.956 1.00 0.00 C ATOM 479 NZ LYS A 30 13.927 -8.123 2.942 1.00 0.00 N ATOM 0 H LYS A 30 8.427 -5.971 0.586 1.00 0.00 H new ATOM 0 HA LYS A 30 10.138 -5.756 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.685 -5.609 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.374 -7.329 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.138 -7.806 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.420 -6.090 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.146 -7.013 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.149 -5.898 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.912 -7.742 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.695 -8.915 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.683 -8.880 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.811 -8.366 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.053 -7.230 3.460 1.00 0.00 H new ATOM 493 N GLU A 31 9.148 -8.855 -0.996 1.00 0.00 N ATOM 494 CA GLU A 31 9.158 -10.210 -1.537 1.00 0.00 C ATOM 495 C GLU A 31 8.241 -10.348 -2.755 1.00 0.00 C ATOM 496 O GLU A 31 8.543 -11.135 -3.650 1.00 0.00 O ATOM 497 CB GLU A 31 8.845 -11.241 -0.437 1.00 0.00 C ATOM 498 CG GLU A 31 7.395 -11.284 0.071 1.00 0.00 C ATOM 499 CD GLU A 31 6.413 -11.965 -0.881 1.00 0.00 C ATOM 500 OE1 GLU A 31 5.346 -11.412 -1.141 1.00 0.00 O ATOM 501 OE2 GLU A 31 6.796 -13.172 -1.385 1.00 0.00 O ATOM 0 H GLU A 31 8.739 -8.784 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 31 10.165 -10.420 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.104 -12.231 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.498 -11.042 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.374 -11.804 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.057 -10.264 0.254 1.00 0.00 H new ATOM 509 N LYS A 32 7.144 -9.580 -2.811 1.00 0.00 N ATOM 510 CA LYS A 32 6.260 -9.562 -3.965 1.00 0.00 C ATOM 511 C LYS A 32 6.964 -8.986 -5.201 1.00 0.00 C ATOM 512 O LYS A 32 6.595 -9.323 -6.324 1.00 0.00 O ATOM 513 CB LYS A 32 5.001 -8.765 -3.609 1.00 0.00 C ATOM 514 CG LYS A 32 3.877 -9.044 -4.614 1.00 0.00 C ATOM 515 CD LYS A 32 2.618 -8.265 -4.229 1.00 0.00 C ATOM 516 CE LYS A 32 1.518 -8.528 -5.266 1.00 0.00 C ATOM 517 NZ LYS A 32 0.336 -7.675 -5.053 1.00 0.00 N ATOM 0 H LYS A 32 6.853 -8.959 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 32 5.977 -10.583 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.670 -9.029 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.230 -7.699 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.197 -8.760 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.659 -10.112 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.279 -8.567 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.838 -7.199 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.915 -8.353 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.221 -9.576 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.494 -8.114 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.164 -7.569 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.503 -6.739 -5.475 1.00 0.00 H new ATOM 531 N GLY A 33 7.973 -8.126 -4.999 1.00 0.00 N ATOM 532 CA GLY A 33 8.739 -7.499 -6.064 1.00 0.00 C ATOM 533 C GLY A 33 8.249 -6.083 -6.374 1.00 0.00 C ATOM 534 O GLY A 33 8.594 -5.537 -7.420 1.00 0.00 O ATOM 0 H GLY A 33 8.279 -7.847 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.791 -7.463 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.673 -8.110 -6.965 1.00 0.00 H new ATOM 538 N LEU A 34 7.459 -5.484 -5.472 1.00 0.00 N ATOM 539 CA LEU A 34 7.009 -4.102 -5.587 1.00 0.00 C ATOM 540 C LEU A 34 8.115 -3.190 -5.059 1.00 0.00 C ATOM 541 O LEU A 34 8.540 -2.266 -5.751 1.00 0.00 O ATOM 542 CB LEU A 34 5.729 -3.909 -4.765 1.00 0.00 C ATOM 543 CG LEU A 34 4.442 -4.355 -5.475 1.00 0.00 C ATOM 544 CD1 LEU A 34 4.543 -5.728 -6.147 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.320 -4.371 -4.430 1.00 0.00 C ATOM 0 H LEU A 34 7.114 -5.956 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 34 6.795 -3.858 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.825 -4.464 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.637 -2.855 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 34 4.245 -3.649 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.594 -5.970 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.333 -5.708 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.774 -6.484 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.388 -4.684 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.576 -5.068 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.197 -3.372 -4.013 1.00 0.00 H new ATOM 557 N PHE A 35 8.547 -3.481 -3.825 1.00 0.00 N ATOM 558 CA PHE A 35 9.563 -2.785 -3.036 1.00 0.00 C ATOM 559 C PHE A 35 9.349 -1.263 -2.991 1.00 0.00 C ATOM 560 O PHE A 35 10.318 -0.554 -2.643 1.00 0.00 O ATOM 561 CB PHE A 35 10.977 -3.187 -3.503 1.00 0.00 C ATOM 562 CG PHE A 35 11.303 -2.990 -4.972 1.00 0.00 C ATOM 563 CD1 PHE A 35 11.688 -1.724 -5.453 1.00 0.00 C ATOM 564 CD2 PHE A 35 11.216 -4.077 -5.862 1.00 0.00 C ATOM 565 CE1 PHE A 35 11.947 -1.539 -6.822 1.00 0.00 C ATOM 566 CE2 PHE A 35 11.472 -3.891 -7.231 1.00 0.00 C ATOM 567 CZ PHE A 35 11.833 -2.621 -7.712 1.00 0.00 C ATOM 568 OXT PHE A 35 8.196 -0.825 -3.201 1.00 0.00 O ATOM 0 H PHE A 35 8.161 -4.275 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 35 9.457 -3.108 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.700 -2.620 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.126 -4.239 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.784 -0.894 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.952 -5.057 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.234 -0.565 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.391 -4.724 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.023 -2.476 -8.765 1.00 0.00 H new TER 578 PHE A 35