USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 Single : A 5 SER OG : rot 180:sc= -0.061 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 113:sc= 0.963 USER MOD Single : A 13 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-0.82) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.8! C(o=-1.8!,f=-12!) USER MOD Single : A 26 SER OG : rot 151:sc= 0.972 USER MOD Single : A 27 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.33) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.523 F(o=-1.3,f=-0.52) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 -0.238 29.704 -5.824 1.00 0.00 N ATOM 44 CA SER A 5 -0.657 28.303 -5.732 1.00 0.00 C ATOM 45 C SER A 5 0.451 27.397 -5.183 1.00 0.00 C ATOM 46 O SER A 5 0.319 26.171 -5.208 1.00 0.00 O ATOM 47 CB SER A 5 -1.118 27.797 -7.101 1.00 0.00 C ATOM 48 OG SER A 5 -1.775 26.546 -6.988 1.00 0.00 O ATOM 0 HA SER A 5 -1.488 28.262 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.791 28.525 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.259 27.701 -7.765 1.00 0.00 H new ATOM 0 HG SER A 5 -2.061 26.245 -7.876 1.00 0.00 H new ATOM 54 N LEU A 6 1.533 27.993 -4.672 1.00 0.00 N ATOM 55 CA LEU A 6 2.644 27.215 -4.112 1.00 0.00 C ATOM 56 C LEU A 6 2.170 26.337 -2.950 1.00 0.00 C ATOM 57 O LEU A 6 2.557 25.172 -2.844 1.00 0.00 O ATOM 58 CB LEU A 6 3.790 28.133 -3.664 1.00 0.00 C ATOM 59 CG LEU A 6 3.440 29.123 -2.555 1.00 0.00 C ATOM 60 CD1 LEU A 6 3.713 28.517 -1.189 1.00 0.00 C ATOM 61 CD2 LEU A 6 4.220 30.417 -2.725 1.00 0.00 C ATOM 0 H LEU A 6 1.664 29.004 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 6 3.021 26.562 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.619 27.512 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.144 28.693 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 6 2.376 29.349 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.457 29.239 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.109 27.618 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.769 28.259 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.956 31.109 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.289 30.206 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.975 30.866 -3.688 1.00 0.00 H new ATOM 73 N SER A 7 1.321 26.899 -2.093 1.00 0.00 N ATOM 74 CA SER A 7 0.779 26.166 -0.946 1.00 0.00 C ATOM 75 C SER A 7 -0.124 25.023 -1.403 1.00 0.00 C ATOM 76 O SER A 7 -0.167 23.961 -0.777 1.00 0.00 O ATOM 77 CB SER A 7 -0.003 27.110 -0.025 1.00 0.00 C ATOM 78 OG SER A 7 0.792 28.218 0.368 1.00 0.00 O ATOM 0 H SER A 7 0.992 27.861 -2.169 1.00 0.00 H new ATOM 0 HA SER A 7 1.619 25.744 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.897 27.464 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.336 26.566 0.859 1.00 0.00 H new ATOM 0 HG SER A 7 0.269 28.805 0.953 1.00 0.00 H new ATOM 84 N ILE A 8 -0.838 25.248 -2.503 1.00 0.00 N ATOM 85 CA ILE A 8 -1.742 24.244 -3.065 1.00 0.00 C ATOM 86 C ILE A 8 -0.979 23.154 -3.789 1.00 0.00 C ATOM 87 O ILE A 8 -1.268 21.967 -3.628 1.00 0.00 O ATOM 88 CB ILE A 8 -2.760 24.889 -4.027 1.00 0.00 C ATOM 89 CG1 ILE A 8 -3.487 26.038 -3.324 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.754 23.856 -4.541 1.00 0.00 C ATOM 91 CD1 ILE A 8 -4.611 25.589 -2.413 1.00 0.00 C ATOM 0 H ILE A 8 -0.808 26.123 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.279 23.796 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.221 25.288 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.765 26.608 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.892 26.714 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.461 24.336 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.219 23.070 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.294 23.421 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.076 26.461 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.355 25.045 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.211 24.938 -1.636 1.00 0.00 H new ATOM 103 N ASP A 9 -0.002 23.572 -4.568 1.00 0.00 N ATOM 104 CA ASP A 9 0.843 22.655 -5.333 1.00 0.00 C ATOM 105 C ASP A 9 1.291 21.477 -4.468 1.00 0.00 C ATOM 106 O ASP A 9 1.034 20.319 -4.792 1.00 0.00 O ATOM 107 CB ASP A 9 2.062 23.401 -5.895 1.00 0.00 C ATOM 108 CG ASP A 9 2.556 22.811 -7.200 1.00 0.00 C ATOM 109 OD1 ASP A 9 2.987 21.639 -7.198 1.00 0.00 O ATOM 110 OD2 ASP A 9 2.517 23.524 -8.224 1.00 0.00 O ATOM 0 H ASP A 9 0.235 24.556 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 9 0.257 22.262 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.803 24.448 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.868 23.377 -5.162 1.00 0.00 H new ATOM 115 N LEU A 10 1.946 21.795 -3.360 1.00 0.00 N ATOM 116 CA LEU A 10 2.431 20.778 -2.426 1.00 0.00 C ATOM 117 C LEU A 10 1.275 20.081 -1.701 1.00 0.00 C ATOM 118 O LEU A 10 1.227 18.850 -1.640 1.00 0.00 O ATOM 119 CB LEU A 10 3.397 21.398 -1.408 1.00 0.00 C ATOM 120 CG LEU A 10 2.836 22.566 -0.588 1.00 0.00 C ATOM 121 CD1 LEU A 10 2.495 22.116 0.823 1.00 0.00 C ATOM 122 CD2 LEU A 10 3.832 23.712 -0.550 1.00 0.00 C ATOM 0 H LEU A 10 2.157 22.753 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 10 2.964 20.026 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.722 20.617 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.284 21.743 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 10 1.921 22.914 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.099 22.960 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.748 21.324 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.394 21.742 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.419 24.533 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.761 23.372 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.031 24.055 -1.565 1.00 0.00 H new ATOM 134 N THR A 11 0.348 20.869 -1.152 1.00 0.00 N ATOM 135 CA THR A 11 -0.802 20.322 -0.428 1.00 0.00 C ATOM 136 C THR A 11 -1.598 19.362 -1.302 1.00 0.00 C ATOM 137 O THR A 11 -1.832 18.216 -0.916 1.00 0.00 O ATOM 138 CB THR A 11 -1.708 21.444 0.084 1.00 0.00 C ATOM 139 OG1 THR A 11 -0.967 22.388 0.836 1.00 0.00 O ATOM 140 CG2 THR A 11 -2.835 20.953 0.965 1.00 0.00 C ATOM 0 H THR A 11 0.371 21.888 -1.195 1.00 0.00 H new ATOM 0 HA THR A 11 -0.418 19.767 0.427 1.00 0.00 H new ATOM 0 HB THR A 11 -2.134 21.894 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.943 23.242 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.437 21.801 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.460 20.259 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.421 20.445 1.836 1.00 0.00 H new ATOM 148 N PHE A 12 -1.996 19.822 -2.486 1.00 0.00 N ATOM 149 CA PHE A 12 -2.746 18.986 -3.410 1.00 0.00 C ATOM 150 C PHE A 12 -1.926 17.760 -3.823 1.00 0.00 C ATOM 151 O PHE A 12 -2.481 16.691 -4.086 1.00 0.00 O ATOM 152 CB PHE A 12 -3.145 19.808 -4.634 1.00 0.00 C ATOM 153 CG PHE A 12 -4.623 20.028 -4.748 1.00 0.00 C ATOM 154 CD1 PHE A 12 -5.270 20.895 -3.883 1.00 0.00 C ATOM 155 CD2 PHE A 12 -5.367 19.368 -5.712 1.00 0.00 C ATOM 156 CE1 PHE A 12 -6.633 21.102 -3.978 1.00 0.00 C ATOM 157 CE2 PHE A 12 -6.731 19.571 -5.813 1.00 0.00 C ATOM 158 CZ PHE A 12 -7.364 20.439 -4.945 1.00 0.00 C ATOM 0 H PHE A 12 -1.811 20.766 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.648 18.629 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.644 20.775 -4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.790 19.303 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.703 21.415 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.876 18.687 -6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.126 21.781 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.301 19.052 -6.569 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.429 20.599 -5.022 1.00 0.00 H new ATOM 168 N HIS A 13 -0.601 17.918 -3.861 1.00 0.00 N ATOM 169 CA HIS A 13 0.297 16.822 -4.224 1.00 0.00 C ATOM 170 C HIS A 13 0.468 15.847 -3.057 1.00 0.00 C ATOM 171 O HIS A 13 0.408 14.632 -3.245 1.00 0.00 O ATOM 172 CB HIS A 13 1.663 17.368 -4.661 1.00 0.00 C ATOM 173 CG HIS A 13 2.285 16.613 -5.795 1.00 0.00 C ATOM 174 ND1 HIS A 13 3.521 16.011 -5.707 1.00 0.00 N ATOM 175 CD2 HIS A 13 1.838 16.370 -7.049 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.810 15.430 -6.858 1.00 0.00 C ATOM 177 NE2 HIS A 13 2.804 15.631 -7.691 1.00 0.00 N ATOM 0 H HIS A 13 -0.127 18.795 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.150 16.283 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.549 18.412 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.341 17.347 -3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.897 16.696 -7.468 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.715 14.884 -7.080 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.752 15.294 -8.652 1.00 0.00 H new ATOM 186 N LEU A 14 0.680 16.388 -1.853 1.00 0.00 N ATOM 187 CA LEU A 14 0.857 15.557 -0.662 1.00 0.00 C ATOM 188 C LEU A 14 -0.461 14.906 -0.234 1.00 0.00 C ATOM 189 O LEU A 14 -0.491 13.714 0.082 1.00 0.00 O ATOM 190 CB LEU A 14 1.466 16.375 0.490 1.00 0.00 C ATOM 191 CG LEU A 14 0.605 17.521 1.018 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.281 17.052 2.160 1.00 0.00 C ATOM 193 CD2 LEU A 14 1.484 18.676 1.470 1.00 0.00 C ATOM 0 H LEU A 14 0.733 17.392 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 14 1.552 14.757 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.683 15.698 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.419 16.785 0.155 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.038 17.865 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.884 17.886 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.936 16.255 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.341 16.678 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.857 19.486 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.151 18.337 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.075 19.034 0.628 1.00 0.00 H new ATOM 205 N LEU A 15 -1.554 15.679 -0.235 1.00 0.00 N ATOM 206 CA LEU A 15 -2.862 15.143 0.148 1.00 0.00 C ATOM 207 C LEU A 15 -3.317 14.063 -0.830 1.00 0.00 C ATOM 208 O LEU A 15 -3.897 13.056 -0.424 1.00 0.00 O ATOM 209 CB LEU A 15 -3.906 16.267 0.252 1.00 0.00 C ATOM 210 CG LEU A 15 -4.612 16.649 -1.056 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.758 15.692 -1.349 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.124 18.079 -0.983 1.00 0.00 C ATOM 0 H LEU A 15 -1.558 16.666 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.763 14.684 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.663 15.967 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.417 17.155 0.651 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.889 16.577 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.244 15.981 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.370 14.678 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.481 15.731 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.622 18.335 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.831 18.171 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.287 18.757 -0.820 1.00 0.00 H new ATOM 224 N ARG A 16 -3.028 14.264 -2.113 1.00 0.00 N ATOM 225 CA ARG A 16 -3.386 13.289 -3.141 1.00 0.00 C ATOM 226 C ARG A 16 -2.911 11.900 -2.719 1.00 0.00 C ATOM 227 O ARG A 16 -3.703 10.969 -2.585 1.00 0.00 O ATOM 228 CB ARG A 16 -2.761 13.684 -4.482 1.00 0.00 C ATOM 229 CG ARG A 16 -2.337 12.499 -5.335 1.00 0.00 C ATOM 230 CD ARG A 16 -1.523 12.946 -6.531 1.00 0.00 C ATOM 231 NE ARG A 16 -0.202 13.407 -6.114 1.00 0.00 N ATOM 232 CZ ARG A 16 0.811 12.599 -5.816 1.00 0.00 C ATOM 233 NH1 ARG A 16 0.673 11.287 -5.898 1.00 0.00 N ATOM 234 NH2 ARG A 16 1.961 13.106 -5.423 1.00 0.00 N ATOM 0 H ARG A 16 -2.548 15.092 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.470 13.271 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.477 14.285 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.892 14.315 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.751 11.805 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.220 11.958 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.420 12.121 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.045 13.748 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.046 14.413 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.217 10.885 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.457 10.676 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.073 14.117 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.739 12.488 -5.194 1.00 0.00 H new ATOM 248 N THR A 17 -1.606 11.781 -2.506 1.00 0.00 N ATOM 249 CA THR A 17 -0.992 10.521 -2.087 1.00 0.00 C ATOM 250 C THR A 17 -1.751 9.880 -0.921 1.00 0.00 C ATOM 251 O THR A 17 -1.941 8.662 -0.906 1.00 0.00 O ATOM 252 CB THR A 17 0.465 10.751 -1.690 1.00 0.00 C ATOM 253 OG1 THR A 17 1.170 11.399 -2.735 1.00 0.00 O ATOM 254 CG2 THR A 17 1.212 9.476 -1.365 1.00 0.00 C ATOM 0 H THR A 17 -0.944 12.549 -2.617 1.00 0.00 H new ATOM 0 HA THR A 17 -1.037 9.837 -2.934 1.00 0.00 H new ATOM 0 HB THR A 17 0.422 11.367 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.101 11.540 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.240 9.716 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.724 8.970 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.212 8.822 -2.237 1.00 0.00 H new ATOM 262 N LEU A 18 -2.191 10.692 0.052 1.00 0.00 N ATOM 263 CA LEU A 18 -2.932 10.166 1.206 1.00 0.00 C ATOM 264 C LEU A 18 -4.149 9.342 0.754 1.00 0.00 C ATOM 265 O LEU A 18 -4.447 8.293 1.330 1.00 0.00 O ATOM 266 CB LEU A 18 -3.346 11.311 2.150 1.00 0.00 C ATOM 267 CG LEU A 18 -4.788 11.810 2.019 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.727 10.962 2.860 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.886 13.269 2.434 1.00 0.00 C ATOM 0 H LEU A 18 -2.049 11.702 0.063 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.274 9.496 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.190 10.981 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.676 12.154 1.981 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.085 11.723 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.746 11.333 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.681 9.926 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.429 11.018 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.917 13.607 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.568 13.374 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.243 13.873 1.794 1.00 0.00 H new ATOM 281 N LEU A 19 -4.827 9.809 -0.296 1.00 0.00 N ATOM 282 CA LEU A 19 -5.992 9.097 -0.840 1.00 0.00 C ATOM 283 C LEU A 19 -5.582 8.172 -1.999 1.00 0.00 C ATOM 284 O LEU A 19 -6.331 7.264 -2.376 1.00 0.00 O ATOM 285 CB LEU A 19 -7.076 10.087 -1.296 1.00 0.00 C ATOM 286 CG LEU A 19 -6.643 11.122 -2.338 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.568 10.498 -3.722 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.601 12.302 -2.342 1.00 0.00 C ATOM 0 H LEU A 19 -4.594 10.672 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.407 8.479 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.912 9.518 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.448 10.617 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.649 11.479 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.258 11.253 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.844 9.683 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.548 10.110 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.280 13.029 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.605 11.954 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.606 12.770 -1.358 1.00 0.00 H new ATOM 315 N LEU A 21 -2.637 6.394 -2.005 1.00 0.00 N ATOM 316 CA LEU A 21 -2.014 5.239 -1.360 1.00 0.00 C ATOM 317 C LEU A 21 -3.065 4.189 -1.004 1.00 0.00 C ATOM 318 O LEU A 21 -2.846 2.992 -1.208 1.00 0.00 O ATOM 319 CB LEU A 21 -1.230 5.668 -0.109 1.00 0.00 C ATOM 320 CG LEU A 21 -2.073 6.136 1.082 1.00 0.00 C ATOM 321 CD1 LEU A 21 -2.443 4.962 1.973 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.321 7.186 1.881 1.00 0.00 C ATOM 0 HA LEU A 21 -1.311 4.795 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.613 4.830 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.551 6.474 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.992 6.579 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.041 5.317 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.018 4.236 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.535 4.490 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.932 7.509 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.388 6.762 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.103 8.042 1.242 1.00 0.00 H new ATOM 334 N ALA A 22 -4.215 4.642 -0.492 1.00 0.00 N ATOM 335 CA ALA A 22 -5.307 3.738 -0.130 1.00 0.00 C ATOM 336 C ALA A 22 -5.660 2.826 -1.303 1.00 0.00 C ATOM 337 O ALA A 22 -5.775 1.606 -1.152 1.00 0.00 O ATOM 338 CB ALA A 22 -6.525 4.535 0.322 1.00 0.00 C ATOM 0 H ALA A 22 -4.411 5.628 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.979 3.111 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.330 3.850 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.262 5.141 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.855 5.185 -0.488 1.00 0.00 H new ATOM 344 N ARG A 23 -5.802 3.433 -2.475 1.00 0.00 N ATOM 345 CA ARG A 23 -6.117 2.695 -3.699 1.00 0.00 C ATOM 346 C ARG A 23 -4.996 1.712 -4.024 1.00 0.00 C ATOM 347 O ARG A 23 -5.237 0.514 -4.189 1.00 0.00 O ATOM 348 CB ARG A 23 -6.336 3.656 -4.879 1.00 0.00 C ATOM 349 CG ARG A 23 -6.794 5.047 -4.464 1.00 0.00 C ATOM 350 CD ARG A 23 -7.473 5.782 -5.601 1.00 0.00 C ATOM 351 NE ARG A 23 -8.919 5.861 -5.398 1.00 0.00 N ATOM 352 CZ ARG A 23 -9.509 6.637 -4.494 1.00 0.00 C ATOM 353 NH1 ARG A 23 -8.789 7.350 -3.645 1.00 0.00 N ATOM 354 NH2 ARG A 23 -10.825 6.677 -4.420 1.00 0.00 N ATOM 0 H ARG A 23 -5.704 4.440 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.041 2.140 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.406 3.743 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.077 3.226 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.482 4.966 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.936 5.624 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.060 6.787 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.264 5.273 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.515 5.282 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.770 7.308 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.252 7.942 -2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.389 6.113 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.279 7.272 -3.727 1.00 0.00 H new ATOM 368 N THR A 24 -3.764 2.225 -4.094 1.00 0.00 N ATOM 369 CA THR A 24 -2.598 1.387 -4.379 1.00 0.00 C ATOM 370 C THR A 24 -2.521 0.232 -3.389 1.00 0.00 C ATOM 371 O THR A 24 -2.357 -0.924 -3.785 1.00 0.00 O ATOM 372 CB THR A 24 -1.308 2.208 -4.322 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.385 3.322 -5.191 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.075 1.422 -4.710 1.00 0.00 C ATOM 0 H THR A 24 -3.550 3.213 -3.958 1.00 0.00 H new ATOM 0 HA THR A 24 -2.709 0.986 -5.387 1.00 0.00 H new ATOM 0 HB THR A 24 -1.213 2.516 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.552 3.835 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.802 2.066 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.046 0.577 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.183 1.056 -5.731 1.00 0.00 H new ATOM 382 N GLN A 25 -2.667 0.544 -2.100 1.00 0.00 N ATOM 383 CA GLN A 25 -2.641 -0.484 -1.068 1.00 0.00 C ATOM 384 C GLN A 25 -3.798 -1.450 -1.287 1.00 0.00 C ATOM 385 O GLN A 25 -3.600 -2.663 -1.337 1.00 0.00 O ATOM 386 CB GLN A 25 -2.705 0.145 0.329 1.00 0.00 C ATOM 387 CG GLN A 25 -1.661 -0.406 1.295 1.00 0.00 C ATOM 388 CD GLN A 25 -0.245 -0.310 0.757 1.00 0.00 C ATOM 389 OE1 GLN A 25 0.152 -1.070 -0.130 1.00 0.00 O ATOM 390 NE2 GLN A 25 0.530 0.626 1.286 1.00 0.00 N ATOM 0 H GLN A 25 -2.803 1.493 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.703 -1.035 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.572 1.223 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.698 -0.020 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.723 0.138 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.891 -1.449 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.166 1.236 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.491 0.736 0.961 1.00 0.00 H new ATOM 399 N SER A 26 -4.999 -0.898 -1.466 1.00 0.00 N ATOM 400 CA SER A 26 -6.190 -1.704 -1.732 1.00 0.00 C ATOM 401 C SER A 26 -5.947 -2.616 -2.926 1.00 0.00 C ATOM 402 O SER A 26 -6.278 -3.802 -2.891 1.00 0.00 O ATOM 403 CB SER A 26 -7.391 -0.806 -2.018 1.00 0.00 C ATOM 404 OG SER A 26 -8.598 -1.559 -2.068 1.00 0.00 O ATOM 0 H SER A 26 -5.172 0.107 -1.431 1.00 0.00 H new ATOM 0 HA SER A 26 -6.399 -2.308 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.468 -0.041 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.243 -0.288 -2.966 1.00 0.00 H new ATOM 0 HG SER A 26 -9.348 -0.993 -1.790 1.00 0.00 H new ATOM 410 N GLN A 27 -5.358 -2.041 -3.978 1.00 0.00 N ATOM 411 CA GLN A 27 -5.042 -2.772 -5.204 1.00 0.00 C ATOM 412 C GLN A 27 -4.394 -4.119 -4.896 1.00 0.00 C ATOM 413 O GLN A 27 -4.795 -5.146 -5.443 1.00 0.00 O ATOM 414 CB GLN A 27 -4.116 -1.929 -6.089 1.00 0.00 C ATOM 415 CG GLN A 27 -4.114 -2.349 -7.550 1.00 0.00 C ATOM 416 CD GLN A 27 -5.509 -2.412 -8.134 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.039 -1.412 -8.612 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.117 -3.587 -8.089 1.00 0.00 N ATOM 0 H GLN A 27 -5.088 -1.058 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.974 -2.964 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.417 -0.884 -6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.100 -1.994 -5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.513 -1.646 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.639 -3.326 -7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.641 -4.393 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.062 -3.687 -8.460 1.00 0.00 H new ATOM 427 N ARG A 28 -3.408 -4.108 -4.004 1.00 0.00 N ATOM 428 CA ARG A 28 -2.725 -5.338 -3.605 1.00 0.00 C ATOM 429 C ARG A 28 -3.462 -6.010 -2.445 1.00 0.00 C ATOM 430 O ARG A 28 -3.608 -7.234 -2.417 1.00 0.00 O ATOM 431 CB ARG A 28 -1.262 -5.070 -3.241 1.00 0.00 C ATOM 432 CG ARG A 28 -1.074 -4.075 -2.113 1.00 0.00 C ATOM 433 CD ARG A 28 0.394 -3.929 -1.743 1.00 0.00 C ATOM 434 NE ARG A 28 1.206 -3.515 -2.895 1.00 0.00 N ATOM 435 CZ ARG A 28 1.515 -2.254 -3.187 1.00 0.00 C ATOM 436 NH1 ARG A 28 1.132 -1.261 -2.403 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.223 -1.987 -4.267 1.00 0.00 N ATOM 0 H ARG A 28 -3.064 -3.265 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.733 -6.018 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.790 -6.012 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.741 -4.703 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.474 -3.106 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.640 -4.400 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.497 -3.196 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.768 -4.877 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 28 1.558 -4.245 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.592 -1.456 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.377 -0.300 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.532 -2.746 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.462 -1.022 -4.494 1.00 0.00 H new ATOM 451 N GLU A 29 -3.944 -5.197 -1.503 1.00 0.00 N ATOM 452 CA GLU A 29 -4.687 -5.693 -0.349 1.00 0.00 C ATOM 453 C GLU A 29 -5.809 -6.631 -0.778 1.00 0.00 C ATOM 454 O GLU A 29 -5.906 -7.752 -0.290 1.00 0.00 O ATOM 455 CB GLU A 29 -5.262 -4.515 0.440 1.00 0.00 C ATOM 456 CG GLU A 29 -5.264 -4.735 1.941 1.00 0.00 C ATOM 457 CD GLU A 29 -6.662 -4.834 2.525 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.504 -5.548 1.937 1.00 0.00 O ATOM 459 OE2 GLU A 29 -6.914 -4.198 3.567 1.00 0.00 O ATOM 0 H GLU A 29 -3.830 -4.184 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.001 -6.256 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.684 -3.619 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.283 -4.329 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.715 -5.649 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.732 -3.915 2.423 1.00 0.00 H new ATOM 466 N ARG A 30 -6.646 -6.167 -1.700 1.00 0.00 N ATOM 467 CA ARG A 30 -7.763 -6.968 -2.203 1.00 0.00 C ATOM 468 C ARG A 30 -7.289 -8.305 -2.769 1.00 0.00 C ATOM 469 O ARG A 30 -7.919 -9.340 -2.542 1.00 0.00 O ATOM 470 CB ARG A 30 -8.544 -6.192 -3.262 1.00 0.00 C ATOM 471 CG ARG A 30 -7.728 -5.862 -4.496 1.00 0.00 C ATOM 472 CD ARG A 30 -8.402 -4.794 -5.337 1.00 0.00 C ATOM 473 NE ARG A 30 -8.740 -3.615 -4.538 1.00 0.00 N ATOM 474 CZ ARG A 30 -9.651 -2.716 -4.875 1.00 0.00 C ATOM 475 NH1 ARG A 30 -10.318 -2.830 -6.009 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.895 -1.700 -4.075 1.00 0.00 N ATOM 0 H ARG A 30 -6.574 -5.239 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.421 -7.178 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.416 -6.775 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.914 -5.266 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.737 -5.520 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.588 -6.763 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.742 -4.504 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.307 -5.201 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.239 -3.477 -3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.133 -3.615 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.018 -2.133 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.383 -1.607 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.596 -1.006 -4.332 1.00 0.00 H new ATOM 490 N ALA A 31 -6.161 -8.283 -3.480 1.00 0.00 N ATOM 491 CA ALA A 31 -5.591 -9.499 -4.052 1.00 0.00 C ATOM 492 C ALA A 31 -5.138 -10.425 -2.935 1.00 0.00 C ATOM 493 O ALA A 31 -5.343 -11.638 -2.990 1.00 0.00 O ATOM 494 CB ALA A 31 -4.435 -9.160 -4.983 1.00 0.00 C ATOM 0 H ALA A 31 -5.626 -7.436 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.353 -10.009 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.022 -10.079 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.794 -8.523 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.660 -8.635 -4.425 1.00 0.00 H new ATOM 500 N GLU A 32 -4.549 -9.826 -1.904 1.00 0.00 N ATOM 501 CA GLU A 32 -4.088 -10.571 -0.735 1.00 0.00 C ATOM 502 C GLU A 32 -5.282 -11.006 0.103 1.00 0.00 C ATOM 503 O GLU A 32 -5.457 -12.189 0.381 1.00 0.00 O ATOM 504 CB GLU A 32 -3.134 -9.713 0.104 1.00 0.00 C ATOM 505 CG GLU A 32 -1.732 -10.297 0.231 1.00 0.00 C ATOM 506 CD GLU A 32 -1.646 -11.416 1.250 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.411 -11.121 2.439 1.00 0.00 O ATOM 508 OE2 GLU A 32 -1.807 -12.590 0.855 1.00 0.00 O ATOM 0 H GLU A 32 -4.379 -8.822 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.548 -11.456 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.065 -8.721 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.556 -9.586 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.412 -10.673 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.038 -9.504 0.511 1.00 0.00 H new ATOM 515 N GLN A 33 -6.121 -10.047 0.478 1.00 0.00 N ATOM 516 CA GLN A 33 -7.318 -10.340 1.258 1.00 0.00 C ATOM 517 C GLN A 33 -8.112 -11.474 0.609 1.00 0.00 C ATOM 518 O GLN A 33 -8.581 -12.383 1.300 1.00 0.00 O ATOM 519 CB GLN A 33 -8.182 -9.085 1.393 1.00 0.00 C ATOM 520 CG GLN A 33 -8.181 -8.503 2.798 1.00 0.00 C ATOM 521 CD GLN A 33 -9.328 -9.017 3.636 1.00 0.00 C ATOM 522 OE1 GLN A 33 -10.521 -8.515 3.372 1.00 0.00 O flip ATOM 523 NE2 GLN A 33 -9.146 -9.859 4.508 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.994 -9.060 0.255 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.016 -10.660 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.825 -8.329 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.206 -9.325 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.239 -8.747 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.237 -7.416 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.208 -10.221 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.933 -10.198 5.062 1.00 0.00 H new ATOM 532 N ASN A 34 -8.231 -11.438 -0.724 1.00 0.00 N ATOM 533 CA ASN A 34 -8.940 -12.487 -1.455 1.00 0.00 C ATOM 534 C ASN A 34 -8.322 -13.857 -1.159 1.00 0.00 C ATOM 535 O ASN A 34 -9.043 -14.830 -0.938 1.00 0.00 O ATOM 536 CB ASN A 34 -8.919 -12.212 -2.964 1.00 0.00 C ATOM 537 CG ASN A 34 -10.301 -12.278 -3.589 1.00 0.00 C ATOM 538 OD1 ASN A 34 -10.745 -13.334 -4.031 1.00 0.00 O ATOM 539 ND2 ASN A 34 -10.990 -11.148 -3.629 1.00 0.00 N ATOM 0 H ASN A 34 -7.847 -10.698 -1.312 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.978 -12.490 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.490 -11.226 -3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.268 -12.937 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.924 -11.135 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.586 -10.291 -3.251 1.00 0.00 H new ATOM 546 N ARG A 35 -6.984 -13.929 -1.134 1.00 0.00 N ATOM 547 CA ARG A 35 -6.307 -15.190 -0.837 1.00 0.00 C ATOM 548 C ARG A 35 -6.255 -15.446 0.670 1.00 0.00 C ATOM 549 O ARG A 35 -6.297 -16.593 1.111 1.00 0.00 O ATOM 550 CB ARG A 35 -4.904 -15.232 -1.459 1.00 0.00 C ATOM 551 CG ARG A 35 -3.916 -14.275 -0.823 1.00 0.00 C ATOM 552 CD ARG A 35 -2.560 -14.332 -1.508 1.00 0.00 C ATOM 553 NE ARG A 35 -1.864 -15.594 -1.238 1.00 0.00 N ATOM 554 CZ ARG A 35 -1.081 -15.818 -0.185 1.00 0.00 C ATOM 555 NH1 ARG A 35 -0.882 -14.884 0.727 1.00 0.00 N ATOM 556 NH2 ARG A 35 -0.500 -16.993 -0.044 1.00 0.00 N ATOM 0 H ARG A 35 -6.362 -13.141 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.889 -15.992 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.513 -16.246 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.982 -15.003 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.308 -13.259 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.801 -14.519 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.691 -14.213 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.946 -13.498 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.989 -16.355 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.332 -13.973 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.279 -15.073 1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.652 -17.724 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.101 -17.171 0.760 1.00 0.00 H new ATOM 570 N ILE A 36 -6.190 -14.371 1.454 1.00 0.00 N ATOM 571 CA ILE A 36 -6.161 -14.480 2.914 1.00 0.00 C ATOM 572 C ILE A 36 -7.438 -15.131 3.433 1.00 0.00 C ATOM 573 O ILE A 36 -7.394 -16.108 4.181 1.00 0.00 O ATOM 574 CB ILE A 36 -5.991 -13.097 3.590 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.607 -12.519 3.297 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.210 -13.204 5.096 1.00 0.00 C ATOM 577 CD1 ILE A 36 -4.451 -11.078 3.726 1.00 0.00 C ATOM 0 H ILE A 36 -6.156 -13.414 1.104 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.302 -15.101 3.167 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.742 -12.424 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.855 -13.124 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.410 -12.595 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.086 -12.222 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.218 -13.571 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.483 -13.896 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.445 -10.734 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.180 -10.461 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.616 -10.998 4.800 1.00 0.00 H new ATOM 589 N ILE A 37 -8.575 -14.584 3.017 1.00 0.00 N ATOM 590 CA ILE A 37 -9.883 -15.104 3.427 1.00 0.00 C ATOM 591 C ILE A 37 -10.151 -16.479 2.811 1.00 0.00 C ATOM 592 O ILE A 37 -10.821 -17.320 3.417 1.00 0.00 O ATOM 593 CB ILE A 37 -11.024 -14.136 3.037 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.775 -12.746 3.626 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.367 -14.674 3.512 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.675 -11.675 3.050 1.00 0.00 C ATOM 0 H ILE A 37 -8.621 -13.778 2.394 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.859 -15.200 4.513 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.045 -14.055 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.918 -12.787 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.736 -12.468 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.158 -13.980 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.554 -15.644 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.352 -14.784 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.442 -10.716 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.516 -11.606 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.716 -11.930 3.247 1.00 0.00 H new ATOM 608 N PHE A 38 -9.622 -16.702 1.605 1.00 0.00 N ATOM 609 CA PHE A 38 -9.796 -17.975 0.895 1.00 0.00 C ATOM 610 C PHE A 38 -9.446 -19.180 1.777 1.00 0.00 C ATOM 611 O PHE A 38 -10.028 -20.253 1.621 1.00 0.00 O ATOM 612 CB PHE A 38 -8.941 -17.992 -0.378 1.00 0.00 C ATOM 613 CG PHE A 38 -9.714 -18.344 -1.619 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.086 -19.655 -1.870 1.00 0.00 C ATOM 615 CD2 PHE A 38 -10.068 -17.364 -2.532 1.00 0.00 C ATOM 616 CE1 PHE A 38 -10.795 -19.982 -3.011 1.00 0.00 C ATOM 617 CE2 PHE A 38 -10.777 -17.684 -3.674 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.141 -18.995 -3.914 1.00 0.00 C ATOM 0 H PHE A 38 -9.066 -16.014 1.096 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.850 -18.057 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.483 -17.012 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.129 -18.708 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.819 -20.430 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.786 -16.338 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.078 -21.008 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.046 -16.910 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.695 -19.248 -4.806 1.00 0.00 H new