USER MOD reduce.3.24.130724 H: found=0, std=0, add=299, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 297 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 4 SER OG : rot -87:sc= -0.386! USER MOD Single : A 5 GLN : amide:sc= -0.267 K(o=-0.27,f=-3!) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.0738 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0.0143 (180deg=0.0138) USER MOD Single : A 17 LYS NZ :NH3+ 145:sc= -0.211 (180deg=-1.21!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -173:sc= -14.3! (180deg=-14.7!) USER MOD Single : A 23 ASN : amide:sc= -0.0187 X(o=-0.019,f=0.2) USER MOD Single : A 24 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.499 6.316 6.210 1.00 0.00 N ATOM 2 CA PRO A 1 -11.617 5.998 5.347 1.00 0.00 C ATOM 3 C PRO A 1 -11.536 6.834 4.078 1.00 0.00 C ATOM 4 O PRO A 1 -11.545 8.061 4.139 1.00 0.00 O ATOM 5 CB PRO A 1 -12.855 6.361 6.163 1.00 0.00 C ATOM 6 CG PRO A 1 -12.357 7.505 7.045 1.00 0.00 C ATOM 7 CD PRO A 1 -10.923 7.085 7.359 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.800 6.842 5.685 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.051 5.454 6.521 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.632 4.953 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.682 6.673 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.210 5.518 6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.394 8.463 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.956 7.609 7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.282 7.953 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -10.877 6.490 8.271 1.00 0.00 H new ATOM 15 N PRO A 2 -11.454 6.165 2.925 1.00 0.00 N ATOM 16 CA PRO A 2 -11.370 6.790 1.623 1.00 0.00 C ATOM 17 C PRO A 2 -12.718 7.394 1.259 1.00 0.00 C ATOM 18 O PRO A 2 -13.566 7.593 2.126 1.00 0.00 O ATOM 19 CB PRO A 2 -11.001 5.657 0.668 1.00 0.00 C ATOM 20 CG PRO A 2 -11.636 4.436 1.331 1.00 0.00 C ATOM 21 CD PRO A 2 -11.440 4.722 2.818 1.00 0.00 C ATOM 0 HA PRO A 2 -10.639 7.598 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.398 5.826 -0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.921 5.547 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.690 4.338 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.146 3.510 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.235 4.274 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.498 4.308 3.179 1.00 0.00 H new ATOM 29 N LEU A 3 -12.915 7.687 -0.029 1.00 0.00 N ATOM 30 CA LEU A 3 -14.156 8.268 -0.501 1.00 0.00 C ATOM 31 C LEU A 3 -15.326 7.378 -0.104 1.00 0.00 C ATOM 32 O LEU A 3 -15.892 7.538 0.974 1.00 0.00 O ATOM 33 CB LEU A 3 -14.095 8.436 -2.016 1.00 0.00 C ATOM 34 CG LEU A 3 -13.879 9.908 -2.355 1.00 0.00 C ATOM 35 CD1 LEU A 3 -15.092 10.718 -1.905 1.00 0.00 C ATOM 36 CD2 LEU A 3 -12.632 10.418 -1.639 1.00 0.00 C ATOM 0 H LEU A 3 -12.222 7.527 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.299 9.248 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.285 7.834 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.019 8.079 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.749 10.017 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.938 11.769 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.983 10.355 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.223 10.609 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.478 11.469 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.760 10.309 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.766 9.841 -1.961 1.00 0.00 H new ATOM 48 N SER A 4 -15.686 6.438 -0.981 1.00 0.00 N ATOM 49 CA SER A 4 -16.784 5.529 -0.718 1.00 0.00 C ATOM 50 C SER A 4 -17.063 4.685 -1.953 1.00 0.00 C ATOM 51 O SER A 4 -17.796 5.108 -2.845 1.00 0.00 O ATOM 52 CB SER A 4 -18.021 6.329 -0.318 1.00 0.00 C ATOM 53 OG SER A 4 -17.775 7.703 -0.514 1.00 0.00 O ATOM 0 H SER A 4 -15.226 6.293 -1.880 1.00 0.00 H new ATOM 0 HA SER A 4 -16.519 4.860 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.879 6.014 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.269 6.138 0.726 1.00 0.00 H new ATOM 0 HG SER A 4 -17.350 8.077 0.286 1.00 0.00 H new ATOM 59 N GLN A 5 -16.477 3.486 -2.003 1.00 0.00 N ATOM 60 CA GLN A 5 -16.666 2.590 -3.127 1.00 0.00 C ATOM 61 C GLN A 5 -15.649 2.905 -4.215 1.00 0.00 C ATOM 62 O GLN A 5 -15.012 2.002 -4.753 1.00 0.00 O ATOM 63 CB GLN A 5 -18.089 2.736 -3.658 1.00 0.00 C ATOM 64 CG GLN A 5 -18.610 1.372 -4.100 1.00 0.00 C ATOM 65 CD GLN A 5 -18.568 1.239 -5.615 1.00 0.00 C ATOM 66 OE1 GLN A 5 -18.408 2.231 -6.323 1.00 0.00 O ATOM 67 NE2 GLN A 5 -18.714 0.009 -6.112 1.00 0.00 N ATOM 0 H GLN A 5 -15.867 3.120 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.516 1.559 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.736 3.151 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.106 3.433 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.010 0.584 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.633 1.237 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.844 -0.783 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.695 -0.139 -7.121 1.00 0.00 H new ATOM 76 N GLU A 6 -15.497 4.191 -4.539 1.00 0.00 N ATOM 77 CA GLU A 6 -14.558 4.615 -5.558 1.00 0.00 C ATOM 78 C GLU A 6 -13.255 3.840 -5.418 1.00 0.00 C ATOM 79 O GLU A 6 -12.803 3.203 -6.367 1.00 0.00 O ATOM 80 CB GLU A 6 -14.312 6.115 -5.430 1.00 0.00 C ATOM 81 CG GLU A 6 -15.198 6.863 -6.421 1.00 0.00 C ATOM 82 CD GLU A 6 -14.919 8.359 -6.378 1.00 0.00 C ATOM 83 OE1 GLU A 6 -14.897 8.900 -5.252 1.00 0.00 O ATOM 84 OE2 GLU A 6 -14.733 8.932 -7.473 1.00 0.00 O ATOM 0 H GLU A 6 -16.018 4.952 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.973 4.411 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.527 6.444 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.263 6.340 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.023 6.485 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.247 6.678 -6.189 1.00 0.00 H new ATOM 91 N THR A 7 -12.650 3.896 -4.229 1.00 0.00 N ATOM 92 CA THR A 7 -11.406 3.199 -3.975 1.00 0.00 C ATOM 93 C THR A 7 -11.693 1.802 -3.442 1.00 0.00 C ATOM 94 O THR A 7 -11.894 0.869 -4.216 1.00 0.00 O ATOM 95 CB THR A 7 -10.571 3.997 -2.977 1.00 0.00 C ATOM 96 OG1 THR A 7 -11.214 5.221 -2.701 1.00 0.00 O ATOM 97 CG2 THR A 7 -9.192 4.270 -3.570 1.00 0.00 C ATOM 0 H THR A 7 -13.010 4.420 -3.431 1.00 0.00 H new ATOM 0 HA THR A 7 -10.845 3.102 -4.904 1.00 0.00 H new ATOM 0 HB THR A 7 -10.463 3.426 -2.055 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.565 5.856 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.596 4.840 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.695 3.324 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.299 4.841 -4.492 1.00 0.00 H new ATOM 105 N PHE A 8 -11.711 1.661 -2.115 1.00 0.00 N ATOM 106 CA PHE A 8 -11.973 0.381 -1.488 1.00 0.00 C ATOM 107 C PHE A 8 -11.935 -0.724 -2.534 1.00 0.00 C ATOM 108 O PHE A 8 -11.079 -1.604 -2.479 1.00 0.00 O ATOM 109 CB PHE A 8 -13.333 0.425 -0.795 1.00 0.00 C ATOM 110 CG PHE A 8 -13.634 1.753 -0.142 1.00 0.00 C ATOM 111 CD1 PHE A 8 -13.519 2.937 -0.879 1.00 0.00 C ATOM 112 CD2 PHE A 8 -14.025 1.799 1.201 1.00 0.00 C ATOM 113 CE1 PHE A 8 -13.796 4.168 -0.273 1.00 0.00 C ATOM 114 CE2 PHE A 8 -14.303 3.030 1.808 1.00 0.00 C ATOM 115 CZ PHE A 8 -14.188 4.215 1.070 1.00 0.00 C ATOM 0 H PHE A 8 -11.546 2.425 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.206 0.173 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -14.111 0.204 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -13.372 -0.360 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -13.217 2.901 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -14.112 0.885 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.707 5.082 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.606 3.066 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.402 5.165 1.537 1.00 0.00 H new ATOM 125 N SER A 9 -12.867 -0.677 -3.488 1.00 0.00 N ATOM 126 CA SER A 9 -12.934 -1.671 -4.540 1.00 0.00 C ATOM 127 C SER A 9 -11.532 -2.153 -4.885 1.00 0.00 C ATOM 128 O SER A 9 -11.224 -3.333 -4.736 1.00 0.00 O ATOM 129 CB SER A 9 -13.616 -1.070 -5.765 1.00 0.00 C ATOM 130 OG SER A 9 -13.874 -2.088 -6.706 1.00 0.00 O ATOM 0 H SER A 9 -13.585 0.045 -3.546 1.00 0.00 H new ATOM 0 HA SER A 9 -13.517 -2.527 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.547 -0.584 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.981 -0.303 -6.208 1.00 0.00 H new ATOM 0 HG SER A 9 -14.314 -1.703 -7.492 1.00 0.00 H new ATOM 136 N ASP A 10 -10.681 -1.234 -5.347 1.00 0.00 N ATOM 137 CA ASP A 10 -9.318 -1.568 -5.711 1.00 0.00 C ATOM 138 C ASP A 10 -8.361 -1.063 -4.641 1.00 0.00 C ATOM 139 O ASP A 10 -7.180 -1.403 -4.651 1.00 0.00 O ATOM 140 CB ASP A 10 -8.989 -0.951 -7.067 1.00 0.00 C ATOM 141 CG ASP A 10 -8.785 0.552 -6.945 1.00 0.00 C ATOM 142 OD1 ASP A 10 -9.813 1.261 -6.878 1.00 0.00 O ATOM 143 OD2 ASP A 10 -7.605 0.965 -6.921 1.00 0.00 O ATOM 0 H ASP A 10 -10.921 -0.251 -5.475 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.211 -2.650 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.088 -1.412 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.796 -1.157 -7.770 1.00 0.00 H new ATOM 148 N LEU A 11 -8.873 -0.247 -3.716 1.00 0.00 N ATOM 149 CA LEU A 11 -8.063 0.300 -2.646 1.00 0.00 C ATOM 150 C LEU A 11 -7.789 -0.775 -1.604 1.00 0.00 C ATOM 151 O LEU A 11 -6.660 -1.240 -1.471 1.00 0.00 O ATOM 152 CB LEU A 11 -8.786 1.489 -2.019 1.00 0.00 C ATOM 153 CG LEU A 11 -7.769 2.402 -1.341 1.00 0.00 C ATOM 154 CD1 LEU A 11 -8.189 2.647 0.105 1.00 0.00 C ATOM 155 CD2 LEU A 11 -6.394 1.740 -1.367 1.00 0.00 C ATOM 0 H LEU A 11 -9.850 0.045 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.108 0.641 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.333 2.040 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.519 1.140 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.724 3.353 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.462 3.299 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.171 3.120 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.234 1.697 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.667 2.392 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.438 0.789 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.093 1.566 -2.400 1.00 0.00 H new ATOM 167 N TRP A 12 -8.827 -1.169 -0.863 1.00 0.00 N ATOM 168 CA TRP A 12 -8.689 -2.187 0.160 1.00 0.00 C ATOM 169 C TRP A 12 -7.997 -3.412 -0.419 1.00 0.00 C ATOM 170 O TRP A 12 -7.199 -4.057 0.259 1.00 0.00 O ATOM 171 CB TRP A 12 -10.068 -2.551 0.703 1.00 0.00 C ATOM 172 CG TRP A 12 -10.510 -3.950 0.412 1.00 0.00 C ATOM 173 CD1 TRP A 12 -11.577 -4.290 -0.343 1.00 0.00 C ATOM 174 CD2 TRP A 12 -9.919 -5.209 0.856 1.00 0.00 C ATOM 175 NE1 TRP A 12 -11.687 -5.663 -0.396 1.00 0.00 N ATOM 176 CE2 TRP A 12 -10.688 -6.281 0.328 1.00 0.00 C ATOM 177 CE3 TRP A 12 -8.812 -5.555 1.652 1.00 0.00 C ATOM 178 CZ2 TRP A 12 -10.377 -7.621 0.574 1.00 0.00 C ATOM 179 CZ3 TRP A 12 -8.492 -6.896 1.905 1.00 0.00 C ATOM 180 CH2 TRP A 12 -9.270 -7.929 1.370 1.00 0.00 C ATOM 0 H TRP A 12 -9.770 -0.793 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.079 -1.804 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.068 -2.403 1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.801 -1.860 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -12.242 -3.593 -0.831 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.416 -6.160 -0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.198 -4.774 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.985 -8.409 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -7.636 -7.135 2.519 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -9.016 -8.959 1.571 1.00 0.00 H new ATOM 191 N LYS A 13 -8.303 -3.734 -1.678 1.00 0.00 N ATOM 192 CA LYS A 13 -7.709 -4.878 -2.340 1.00 0.00 C ATOM 193 C LYS A 13 -6.238 -4.609 -2.620 1.00 0.00 C ATOM 194 O LYS A 13 -5.427 -5.532 -2.636 1.00 0.00 O ATOM 195 CB LYS A 13 -8.463 -5.163 -3.636 1.00 0.00 C ATOM 196 CG LYS A 13 -8.751 -6.658 -3.738 1.00 0.00 C ATOM 197 CD LYS A 13 -8.663 -7.095 -5.198 1.00 0.00 C ATOM 198 CE LYS A 13 -7.232 -7.517 -5.517 1.00 0.00 C ATOM 199 NZ LYS A 13 -6.747 -6.855 -6.738 1.00 0.00 N ATOM 0 H LYS A 13 -8.962 -3.211 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.780 -5.753 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.396 -4.600 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.873 -4.836 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.036 -7.219 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.742 -6.876 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.347 -7.923 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.967 -6.278 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.580 -7.267 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.188 -8.599 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.772 -7.159 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.357 -7.114 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.769 -5.824 -6.606 1.00 0.00 H new ATOM 213 N LEU A 14 -5.894 -3.337 -2.842 1.00 0.00 N ATOM 214 CA LEU A 14 -4.525 -2.952 -3.120 1.00 0.00 C ATOM 215 C LEU A 14 -3.653 -3.227 -1.903 1.00 0.00 C ATOM 216 O LEU A 14 -2.564 -3.782 -2.029 1.00 0.00 O ATOM 217 CB LEU A 14 -4.479 -1.474 -3.494 1.00 0.00 C ATOM 218 CG LEU A 14 -4.195 -1.336 -4.987 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.689 -1.242 -5.213 1.00 0.00 C ATOM 220 CD2 LEU A 14 -4.746 -2.554 -5.724 1.00 0.00 C ATOM 0 H LEU A 14 -6.555 -2.560 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.142 -3.538 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.427 -0.996 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.706 -0.966 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.675 -0.434 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.487 -1.143 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.296 -0.372 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.207 -2.143 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.544 -2.456 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.266 -3.456 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.822 -2.620 -5.564 1.00 0.00 H new ATOM 232 N LEU A 15 -4.137 -2.838 -0.720 1.00 0.00 N ATOM 233 CA LEU A 15 -3.402 -3.044 0.512 1.00 0.00 C ATOM 234 C LEU A 15 -3.257 -4.535 0.783 1.00 0.00 C ATOM 235 O LEU A 15 -2.481 -4.938 1.648 1.00 0.00 O ATOM 236 CB LEU A 15 -4.133 -2.354 1.660 1.00 0.00 C ATOM 237 CG LEU A 15 -3.942 -0.844 1.550 1.00 0.00 C ATOM 238 CD1 LEU A 15 -4.662 -0.155 2.706 1.00 0.00 C ATOM 239 CD2 LEU A 15 -2.454 -0.514 1.607 1.00 0.00 C ATOM 0 H LEU A 15 -5.039 -2.378 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.405 -2.613 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.194 -2.600 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.750 -2.711 2.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.355 -0.493 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.526 0.924 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.725 -0.391 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.249 -0.505 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.317 0.565 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.040 -0.864 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.940 -1.006 0.781 1.00 0.00 H new ATOM 251 N LYS A 16 -4.005 -5.354 0.042 1.00 0.00 N ATOM 252 CA LYS A 16 -3.954 -6.793 0.207 1.00 0.00 C ATOM 253 C LYS A 16 -2.671 -7.340 -0.403 1.00 0.00 C ATOM 254 O LYS A 16 -2.527 -8.548 -0.572 1.00 0.00 O ATOM 255 CB LYS A 16 -5.177 -7.423 -0.453 1.00 0.00 C ATOM 256 CG LYS A 16 -5.803 -8.437 0.500 1.00 0.00 C ATOM 257 CD LYS A 16 -6.937 -9.172 -0.210 1.00 0.00 C ATOM 258 CE LYS A 16 -7.304 -10.425 0.578 1.00 0.00 C ATOM 259 NZ LYS A 16 -8.553 -11.018 0.075 1.00 0.00 N ATOM 0 H LYS A 16 -4.653 -5.036 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.961 -7.040 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.903 -6.652 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.890 -7.912 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.049 -9.149 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.183 -7.931 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.806 -8.520 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.633 -9.442 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.497 -11.154 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.415 -10.176 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.790 -11.859 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.323 -10.323 0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.431 -11.292 -0.921 1.00 0.00 H new ATOM 273 N LYS A 17 -1.737 -6.445 -0.734 1.00 0.00 N ATOM 274 CA LYS A 17 -0.474 -6.842 -1.322 1.00 0.00 C ATOM 275 C LYS A 17 0.519 -5.691 -1.242 1.00 0.00 C ATOM 276 O LYS A 17 1.705 -5.907 -1.000 1.00 0.00 O ATOM 277 CB LYS A 17 -0.699 -7.262 -2.772 1.00 0.00 C ATOM 278 CG LYS A 17 0.469 -6.779 -3.627 1.00 0.00 C ATOM 279 CD LYS A 17 0.438 -5.256 -3.720 1.00 0.00 C ATOM 280 CE LYS A 17 0.585 -4.831 -5.178 1.00 0.00 C ATOM 281 NZ LYS A 17 -0.456 -5.448 -6.014 1.00 0.00 N ATOM 0 H LYS A 17 -1.841 -5.439 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.063 -7.688 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.789 -8.346 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.634 -6.842 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.412 -7.108 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.409 -7.216 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.498 -4.875 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.243 -4.828 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.520 -3.745 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.570 -5.118 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.738 -4.785 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.085 -6.319 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.283 -5.677 -5.426 1.00 0.00 H new ATOM 295 N TRP A 18 0.033 -4.465 -1.445 1.00 0.00 N ATOM 296 CA TRP A 18 0.882 -3.291 -1.392 1.00 0.00 C ATOM 297 C TRP A 18 1.316 -3.030 0.043 1.00 0.00 C ATOM 298 O TRP A 18 2.483 -2.743 0.299 1.00 0.00 O ATOM 299 CB TRP A 18 0.125 -2.092 -1.955 1.00 0.00 C ATOM 300 CG TRP A 18 0.969 -1.109 -2.701 1.00 0.00 C ATOM 301 CD1 TRP A 18 0.890 -0.860 -4.027 1.00 0.00 C ATOM 302 CD2 TRP A 18 2.022 -0.233 -2.193 1.00 0.00 C ATOM 303 NE1 TRP A 18 1.816 0.102 -4.372 1.00 0.00 N ATOM 304 CE2 TRP A 18 2.542 0.524 -3.277 1.00 0.00 C ATOM 305 CE3 TRP A 18 2.590 -0.003 -0.928 1.00 0.00 C ATOM 306 CZ2 TRP A 18 3.569 1.458 -3.116 1.00 0.00 C ATOM 307 CZ3 TRP A 18 3.621 0.933 -0.755 1.00 0.00 C ATOM 308 CH2 TRP A 18 4.112 1.663 -1.844 1.00 0.00 C ATOM 0 H TRP A 18 -0.947 -4.267 -1.647 1.00 0.00 H new ATOM 0 HA TRP A 18 1.775 -3.457 -1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.658 -2.455 -2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.370 -1.574 -1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.207 -1.341 -4.711 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.948 0.457 -5.319 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.227 -0.556 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 3.939 2.015 -3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.040 1.092 0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.906 2.381 -1.702 1.00 0.00 H new ATOM 319 N LYS A 19 0.371 -3.129 0.981 1.00 0.00 N ATOM 320 CA LYS A 19 0.661 -2.903 2.383 1.00 0.00 C ATOM 321 C LYS A 19 1.992 -3.546 2.747 1.00 0.00 C ATOM 322 O LYS A 19 2.675 -3.090 3.661 1.00 0.00 O ATOM 323 CB LYS A 19 -0.467 -3.479 3.234 1.00 0.00 C ATOM 324 CG LYS A 19 -0.265 -3.070 4.690 1.00 0.00 C ATOM 325 CD LYS A 19 -1.134 -3.944 5.590 1.00 0.00 C ATOM 326 CE LYS A 19 -1.250 -3.298 6.968 1.00 0.00 C ATOM 327 NZ LYS A 19 -0.974 -4.274 8.033 1.00 0.00 N ATOM 0 H LYS A 19 -0.602 -3.365 0.785 1.00 0.00 H new ATOM 0 HA LYS A 19 0.734 -1.832 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.430 -3.117 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.483 -4.566 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.784 -3.175 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.526 -2.020 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.124 -4.067 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.699 -4.939 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.551 -2.465 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.251 -2.887 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.059 -3.810 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.657 -5.056 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.010 -4.647 7.920 1.00 0.00 H new ATOM 341 N MET A 20 2.360 -4.609 2.027 1.00 0.00 N ATOM 342 CA MET A 20 3.605 -5.307 2.280 1.00 0.00 C ATOM 343 C MET A 20 4.760 -4.315 2.301 1.00 0.00 C ATOM 344 O MET A 20 5.544 -4.292 3.247 1.00 0.00 O ATOM 345 CB MET A 20 3.822 -6.365 1.202 1.00 0.00 C ATOM 346 CG MET A 20 5.190 -7.013 1.393 1.00 0.00 C ATOM 347 SD MET A 20 6.225 -6.994 -0.092 1.00 0.00 S ATOM 348 CE MET A 20 6.275 -5.209 -0.388 1.00 0.00 C ATOM 0 H MET A 20 1.806 -4.999 1.264 1.00 0.00 H new ATOM 0 HA MET A 20 3.558 -5.799 3.251 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.039 -7.121 1.257 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.758 -5.911 0.213 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.716 -6.498 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.050 -8.045 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.769 -5.012 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.259 -4.817 -0.418 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.828 -4.722 0.415 1.00 0.00 H new ATOM 358 N ARG A 21 4.862 -3.495 1.253 1.00 0.00 N ATOM 359 CA ARG A 21 5.918 -2.508 1.155 1.00 0.00 C ATOM 360 C ARG A 21 5.533 -1.261 1.938 1.00 0.00 C ATOM 361 O ARG A 21 6.369 -0.669 2.618 1.00 0.00 O ATOM 362 CB ARG A 21 6.162 -2.169 -0.313 1.00 0.00 C ATOM 363 CG ARG A 21 4.824 -1.954 -1.015 1.00 0.00 C ATOM 364 CD ARG A 21 4.532 -3.140 -1.930 1.00 0.00 C ATOM 365 NE ARG A 21 4.014 -2.691 -3.222 1.00 0.00 N ATOM 366 CZ ARG A 21 4.769 -2.046 -4.122 1.00 0.00 C ATOM 367 NH1 ARG A 21 6.056 -1.787 -3.855 1.00 0.00 N ATOM 368 NH2 ARG A 21 4.236 -1.658 -5.289 1.00 0.00 N ATOM 0 H ARG A 21 4.219 -3.502 0.461 1.00 0.00 H new ATOM 0 HA ARG A 21 6.837 -2.911 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.775 -1.271 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.713 -2.975 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.028 -1.845 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.850 -1.031 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.442 -3.720 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.808 -3.801 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 21 3.037 -2.877 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.462 -2.081 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.630 -1.296 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.256 -1.854 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.811 -1.167 -5.974 1.00 0.00 H new ATOM 382 N ARG A 22 4.262 -0.863 1.842 1.00 0.00 N ATOM 383 CA ARG A 22 3.773 0.310 2.540 1.00 0.00 C ATOM 384 C ARG A 22 3.929 0.119 4.041 1.00 0.00 C ATOM 385 O ARG A 22 3.349 0.865 4.828 1.00 0.00 O ATOM 386 CB ARG A 22 2.310 0.545 2.174 1.00 0.00 C ATOM 387 CG ARG A 22 1.782 1.752 2.943 1.00 0.00 C ATOM 388 CD ARG A 22 2.849 2.842 2.976 1.00 0.00 C ATOM 389 NE ARG A 22 3.381 3.098 1.637 1.00 0.00 N ATOM 390 CZ ARG A 22 2.799 3.942 0.774 1.00 0.00 C ATOM 391 NH1 ARG A 22 1.683 4.595 1.125 1.00 0.00 N ATOM 392 NH2 ARG A 22 3.333 4.133 -0.440 1.00 0.00 N ATOM 0 H ARG A 22 3.557 -1.344 1.283 1.00 0.00 H new ATOM 0 HA ARG A 22 4.353 1.183 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.215 0.713 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.718 -0.339 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.876 2.130 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.514 1.460 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.424 3.759 3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.659 2.543 3.642 1.00 0.00 H new ATOM 0 HE ARG A 22 4.231 2.613 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.276 4.450 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.240 5.237 0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.183 3.636 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.890 4.775 -1.097 1.00 0.00 H new ATOM 406 N ASN A 23 4.716 -0.884 4.439 1.00 0.00 N ATOM 407 CA ASN A 23 4.943 -1.165 5.843 1.00 0.00 C ATOM 408 C ASN A 23 6.363 -1.672 6.047 1.00 0.00 C ATOM 409 O ASN A 23 6.690 -2.201 7.107 1.00 0.00 O ATOM 410 CB ASN A 23 3.927 -2.197 6.324 1.00 0.00 C ATOM 411 CG ASN A 23 3.370 -1.815 7.688 1.00 0.00 C ATOM 412 OD1 ASN A 23 4.123 -1.661 8.647 1.00 0.00 O ATOM 413 ND2 ASN A 23 2.046 -1.661 7.773 1.00 0.00 N ATOM 0 H ASN A 23 5.204 -1.512 3.800 1.00 0.00 H new ATOM 0 HA ASN A 23 4.819 -0.251 6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.113 -2.275 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.398 -3.178 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.618 -1.404 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.462 -1.800 6.948 1.00 0.00 H new ATOM 420 N GLN A 24 7.209 -1.507 5.028 1.00 0.00 N ATOM 421 CA GLN A 24 8.588 -1.948 5.100 1.00 0.00 C ATOM 422 C GLN A 24 9.366 -1.408 3.909 1.00 0.00 C ATOM 423 O GLN A 24 9.812 -0.263 3.923 1.00 0.00 O ATOM 424 CB GLN A 24 8.631 -3.473 5.129 1.00 0.00 C ATOM 425 CG GLN A 24 8.323 -3.966 6.540 1.00 0.00 C ATOM 426 CD GLN A 24 9.140 -5.206 6.873 1.00 0.00 C ATOM 427 OE1 GLN A 24 9.873 -5.714 6.027 1.00 0.00 O ATOM 428 NE2 GLN A 24 9.011 -5.693 8.109 1.00 0.00 N ATOM 0 H GLN A 24 6.954 -1.068 4.143 1.00 0.00 H new ATOM 0 HA GLN A 24 9.049 -1.567 6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.907 -3.881 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.614 -3.825 4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.541 -3.178 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.260 -4.192 6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.389 -5.235 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.534 -6.523 8.387 1.00 0.00 H new ATOM 437 N PHE A 25 9.529 -2.237 2.874 1.00 0.00 N ATOM 438 CA PHE A 25 10.250 -1.837 1.683 1.00 0.00 C ATOM 439 C PHE A 25 10.002 -0.363 1.398 1.00 0.00 C ATOM 440 O PHE A 25 10.904 0.348 0.963 1.00 0.00 O ATOM 441 CB PHE A 25 9.803 -2.699 0.506 1.00 0.00 C ATOM 442 CG PHE A 25 10.104 -2.084 -0.840 1.00 0.00 C ATOM 443 CD1 PHE A 25 9.505 -0.872 -1.205 1.00 0.00 C ATOM 444 CD2 PHE A 25 10.979 -2.727 -1.724 1.00 0.00 C ATOM 445 CE1 PHE A 25 9.782 -0.303 -2.454 1.00 0.00 C ATOM 446 CE2 PHE A 25 11.256 -2.157 -2.973 1.00 0.00 C ATOM 447 CZ PHE A 25 10.657 -0.946 -3.338 1.00 0.00 C ATOM 0 H PHE A 25 9.167 -3.190 2.846 1.00 0.00 H new ATOM 0 HA PHE A 25 11.320 -1.980 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.293 -3.670 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.731 -2.878 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.830 -0.376 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.440 -3.662 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.321 0.632 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.932 -2.652 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.870 -0.507 -4.302 1.00 0.00 H new ATOM 457 N TRP A 26 8.772 0.096 1.645 1.00 0.00 N ATOM 458 CA TRP A 26 8.417 1.482 1.414 1.00 0.00 C ATOM 459 C TRP A 26 9.409 2.396 2.120 1.00 0.00 C ATOM 460 O TRP A 26 9.847 3.395 1.555 1.00 0.00 O ATOM 461 CB TRP A 26 6.999 1.733 1.917 1.00 0.00 C ATOM 462 CG TRP A 26 6.890 2.014 3.382 1.00 0.00 C ATOM 463 CD1 TRP A 26 6.508 1.122 4.321 1.00 0.00 C ATOM 464 CD2 TRP A 26 7.159 3.257 4.099 1.00 0.00 C ATOM 465 NE1 TRP A 26 6.522 1.724 5.562 1.00 0.00 N ATOM 466 CE2 TRP A 26 6.916 3.044 5.482 1.00 0.00 C ATOM 467 CE3 TRP A 26 7.583 4.544 3.721 1.00 0.00 C ATOM 468 CZ2 TRP A 26 7.084 4.049 6.439 1.00 0.00 C ATOM 469 CZ3 TRP A 26 7.755 5.560 4.673 1.00 0.00 C ATOM 470 CH2 TRP A 26 7.507 5.316 6.029 1.00 0.00 C ATOM 0 H TRP A 26 8.011 -0.480 2.005 1.00 0.00 H new ATOM 0 HA TRP A 26 8.454 1.697 0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.578 2.576 1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.387 0.862 1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.234 0.095 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.272 1.252 6.431 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.780 4.754 2.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.889 3.849 7.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.082 6.540 4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.642 6.104 6.755 1.00 0.00 H new ATOM 481 N VAL A 27 9.763 2.049 3.359 1.00 0.00 N ATOM 482 CA VAL A 27 10.700 2.837 4.136 1.00 0.00 C ATOM 483 C VAL A 27 11.830 3.323 3.240 1.00 0.00 C ATOM 484 O VAL A 27 12.208 4.491 3.294 1.00 0.00 O ATOM 485 CB VAL A 27 11.245 1.991 5.283 1.00 0.00 C ATOM 486 CG1 VAL A 27 10.088 1.310 6.008 1.00 0.00 C ATOM 487 CG2 VAL A 27 12.193 0.932 4.729 1.00 0.00 C ATOM 0 H VAL A 27 9.409 1.223 3.841 1.00 0.00 H new ATOM 0 HA VAL A 27 10.193 3.707 4.553 1.00 0.00 H new ATOM 0 HB VAL A 27 11.784 2.631 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.477 0.706 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.411 2.067 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.548 0.670 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.582 0.328 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.655 0.292 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.020 1.419 4.212 1.00 0.00 H new ATOM 497 N LYS A 28 12.368 2.424 2.413 1.00 0.00 N ATOM 498 CA LYS A 28 13.450 2.767 1.511 1.00 0.00 C ATOM 499 C LYS A 28 12.979 3.816 0.513 1.00 0.00 C ATOM 500 O LYS A 28 13.730 4.723 0.162 1.00 0.00 O ATOM 501 CB LYS A 28 13.927 1.511 0.789 1.00 0.00 C ATOM 502 CG LYS A 28 14.847 0.714 1.711 1.00 0.00 C ATOM 503 CD LYS A 28 16.130 1.501 1.955 1.00 0.00 C ATOM 504 CE LYS A 28 17.214 0.560 2.473 1.00 0.00 C ATOM 505 NZ LYS A 28 18.093 1.246 3.433 1.00 0.00 N ATOM 0 H LYS A 28 12.065 1.452 2.355 1.00 0.00 H new ATOM 0 HA LYS A 28 14.282 3.183 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.073 0.901 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.456 1.782 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.345 0.514 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.080 -0.252 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.458 1.977 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.949 2.297 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.752 -0.304 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.805 0.185 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.821 0.585 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.550 2.056 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.530 1.582 4.240 1.00 0.00 H new ATOM 519 N VAL A 29 11.731 3.689 0.057 1.00 0.00 N ATOM 520 CA VAL A 29 11.166 4.623 -0.896 1.00 0.00 C ATOM 521 C VAL A 29 11.474 6.049 -0.463 1.00 0.00 C ATOM 522 O VAL A 29 11.374 6.978 -1.262 1.00 0.00 O ATOM 523 CB VAL A 29 9.660 4.400 -0.995 1.00 0.00 C ATOM 524 CG1 VAL A 29 9.052 5.439 -1.933 1.00 0.00 C ATOM 525 CG2 VAL A 29 9.388 3.001 -1.542 1.00 0.00 C ATOM 0 H VAL A 29 11.097 2.942 0.339 1.00 0.00 H new ATOM 0 HA VAL A 29 11.608 4.459 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 29 9.213 4.497 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.976 5.280 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.246 6.438 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.499 5.342 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.312 2.841 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.835 2.904 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.822 2.258 -0.873 1.00 0.00 H new ATOM 535 N GLN A 30 11.848 6.222 0.807 1.00 0.00 N ATOM 536 CA GLN A 30 12.166 7.532 1.338 1.00 0.00 C ATOM 537 C GLN A 30 13.665 7.779 1.240 1.00 0.00 C ATOM 538 O GLN A 30 14.093 8.860 0.841 1.00 0.00 O ATOM 539 CB GLN A 30 11.698 7.618 2.788 1.00 0.00 C ATOM 540 CG GLN A 30 12.884 7.395 3.721 1.00 0.00 C ATOM 541 CD GLN A 30 12.440 7.411 5.177 1.00 0.00 C ATOM 542 OE1 GLN A 30 12.037 6.382 5.716 1.00 0.00 O ATOM 543 NE2 GLN A 30 12.515 8.582 5.813 1.00 0.00 N ATOM 0 H GLN A 30 11.936 5.462 1.482 1.00 0.00 H new ATOM 0 HA GLN A 30 11.653 8.299 0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.250 8.593 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.928 6.871 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.358 6.441 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.632 8.170 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.857 9.408 5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.231 8.651 6.790 1.00 0.00 H new ATOM 552 N ARG A 31 14.462 6.773 1.606 1.00 0.00 N ATOM 553 CA ARG A 31 15.906 6.885 1.558 1.00 0.00 C ATOM 554 C ARG A 31 16.316 8.342 1.720 1.00 0.00 C ATOM 555 O ARG A 31 15.732 9.067 2.522 1.00 0.00 O ATOM 556 CB ARG A 31 16.416 6.324 0.233 1.00 0.00 C ATOM 557 CG ARG A 31 17.864 5.871 0.396 1.00 0.00 C ATOM 558 CD ARG A 31 18.623 6.116 -0.905 1.00 0.00 C ATOM 559 NE ARG A 31 20.068 6.119 -0.677 1.00 0.00 N ATOM 560 CZ ARG A 31 20.961 6.101 -1.676 1.00 0.00 C ATOM 561 NH1 ARG A 31 20.541 6.081 -2.949 1.00 0.00 N ATOM 562 NH2 ARG A 31 22.273 6.103 -1.403 1.00 0.00 N ATOM 0 H ARG A 31 14.122 5.871 1.939 1.00 0.00 H new ATOM 0 HA ARG A 31 16.346 6.311 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.795 5.486 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 31 16.347 7.083 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.337 6.415 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.898 4.813 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 31 18.367 5.343 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.317 7.070 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 31 20.411 6.136 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.542 6.080 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 31 21.220 6.067 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.592 6.118 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.952 6.089 -2.164 1.00 0.00 H new ATOM 576 N GLY A 32 17.322 8.771 0.955 1.00 0.00 N ATOM 577 CA GLY A 32 17.799 10.138 1.021 1.00 0.00 C ATOM 578 C GLY A 32 19.122 10.199 1.771 1.00 0.00 C ATOM 579 O GLY A 32 19.375 11.145 2.514 1.00 0.00 O ATOM 0 H GLY A 32 17.817 8.184 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.925 10.536 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.060 10.765 1.521 1.00 0.00 H new TER 583 GLY A 32