USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 329 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 102:sc= 0.0023 USER MOD Single : A 11 THR OG1 : rot -73:sc= -1.05 USER MOD Single : A 15 SER OG : rot -65:sc= -0.995! USER MOD Single : A 17 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.045) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -52:sc= 0.488 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 24.883 -7.960 4.847 1.00 0.00 C HETATM 2 O ACE A 1 24.215 -8.490 3.982 1.00 0.00 O HETATM 3 CH3 ACE A 1 26.366 -7.652 4.627 1.00 0.00 C HETATM 0 H1 ACE A 1 26.533 -6.579 4.722 1.00 0.00 H new HETATM 0 H2 ACE A 1 26.962 -8.180 5.372 1.00 0.00 H new HETATM 0 H3 ACE A 1 26.661 -7.978 3.630 1.00 0.00 H new ATOM 7 N ARG A 2 24.364 -7.630 5.997 1.00 0.00 N ATOM 8 CA ARG A 2 22.925 -7.904 6.271 1.00 0.00 C ATOM 9 C ARG A 2 22.241 -6.621 6.749 1.00 0.00 C ATOM 10 O ARG A 2 21.192 -6.250 6.263 1.00 0.00 O ATOM 11 CB ARG A 2 22.806 -8.978 7.357 1.00 0.00 C ATOM 12 CG ARG A 2 21.458 -9.689 7.229 1.00 0.00 C ATOM 13 CD ARG A 2 21.627 -11.171 7.572 1.00 0.00 C ATOM 14 NE ARG A 2 20.994 -11.452 8.891 1.00 0.00 N ATOM 15 CZ ARG A 2 21.614 -11.136 9.994 1.00 0.00 C ATOM 16 NH1 ARG A 2 22.850 -11.516 10.180 1.00 0.00 N ATOM 17 NH2 ARG A 2 21.000 -10.438 10.911 1.00 0.00 N ATOM 0 H ARG A 2 24.874 -7.183 6.759 1.00 0.00 H new ATOM 0 HA ARG A 2 22.444 -8.254 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 2 23.619 -9.698 7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.897 -8.524 8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 2 20.729 -9.231 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.073 -9.581 6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 2 21.170 -11.788 6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 2 22.685 -11.430 7.602 1.00 0.00 H new ATOM 0 HE ARG A 2 20.075 -11.892 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 23.330 -12.060 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.335 -11.269 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 2 20.036 -10.140 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.485 -10.191 11.774 1.00 0.00 H new ATOM 31 N TYR A 3 22.830 -5.945 7.701 1.00 0.00 N ATOM 32 CA TYR A 3 22.222 -4.686 8.223 1.00 0.00 C ATOM 33 C TYR A 3 21.634 -3.870 7.070 1.00 0.00 C ATOM 34 O TYR A 3 22.338 -3.139 6.402 1.00 0.00 O ATOM 35 CB TYR A 3 23.298 -3.858 8.930 1.00 0.00 C ATOM 36 CG TYR A 3 23.282 -4.158 10.411 1.00 0.00 C ATOM 37 CD1 TYR A 3 22.816 -5.396 10.870 1.00 0.00 C ATOM 38 CD2 TYR A 3 23.736 -3.199 11.324 1.00 0.00 C ATOM 39 CE1 TYR A 3 22.802 -5.674 12.242 1.00 0.00 C ATOM 40 CE2 TYR A 3 23.722 -3.477 12.697 1.00 0.00 C ATOM 41 CZ TYR A 3 23.256 -4.714 13.156 1.00 0.00 C ATOM 42 OH TYR A 3 23.242 -4.988 14.508 1.00 0.00 O ATOM 0 H TYR A 3 23.710 -6.213 8.141 1.00 0.00 H new ATOM 0 HA TYR A 3 21.427 -4.938 8.925 1.00 0.00 H new ATOM 0 HB2 TYR A 3 24.279 -4.087 8.514 1.00 0.00 H new ATOM 0 HB3 TYR A 3 23.121 -2.796 8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 3 22.467 -6.137 10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.097 -2.245 10.970 1.00 0.00 H new ATOM 0 HE1 TYR A 3 22.441 -6.628 12.596 1.00 0.00 H new ATOM 0 HE2 TYR A 3 24.071 -2.736 13.401 1.00 0.00 H new ATOM 0 HH TYR A 3 23.591 -4.217 15.002 1.00 0.00 H new ATOM 52 N PRO A 4 20.354 -4.026 6.878 1.00 0.00 N ATOM 53 CA PRO A 4 19.527 -3.350 5.827 1.00 0.00 C ATOM 54 C PRO A 4 18.997 -2.011 6.349 1.00 0.00 C ATOM 55 O PRO A 4 18.709 -1.108 5.591 1.00 0.00 O ATOM 56 CB PRO A 4 18.377 -4.308 5.549 1.00 0.00 C ATOM 57 CG PRO A 4 18.213 -5.160 6.794 1.00 0.00 C ATOM 58 CD PRO A 4 19.442 -4.918 7.672 1.00 0.00 C ATOM 0 HA PRO A 4 20.102 -3.134 4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 4 17.460 -3.760 5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.592 -4.929 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.301 -4.892 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 4 18.130 -6.214 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 4 19.161 -4.448 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 4 19.935 -5.858 7.919 1.00 0.00 H new ATOM 66 N TYR A 5 18.866 -1.879 7.641 1.00 0.00 N ATOM 67 CA TYR A 5 18.355 -0.605 8.217 1.00 0.00 C ATOM 68 C TYR A 5 19.530 0.330 8.511 1.00 0.00 C ATOM 69 O TYR A 5 19.353 1.496 8.803 1.00 0.00 O ATOM 70 CB TYR A 5 17.604 -0.907 9.516 1.00 0.00 C ATOM 71 CG TYR A 5 16.376 -0.032 9.613 1.00 0.00 C ATOM 72 CD1 TYR A 5 16.509 1.334 9.893 1.00 0.00 C ATOM 73 CD2 TYR A 5 15.104 -0.587 9.428 1.00 0.00 C ATOM 74 CE1 TYR A 5 15.371 2.144 9.988 1.00 0.00 C ATOM 75 CE2 TYR A 5 13.966 0.224 9.522 1.00 0.00 C ATOM 76 CZ TYR A 5 14.100 1.589 9.802 1.00 0.00 C ATOM 77 OH TYR A 5 12.978 2.387 9.899 1.00 0.00 O ATOM 0 H TYR A 5 19.092 -2.602 8.324 1.00 0.00 H new ATOM 0 HA TYR A 5 17.681 -0.125 7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.316 -1.958 9.544 1.00 0.00 H new ATOM 0 HB3 TYR A 5 18.255 -0.732 10.372 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.490 1.763 10.036 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.000 -1.640 9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.474 3.197 10.205 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.985 -0.204 9.378 1.00 0.00 H new ATOM 0 HH TYR A 5 12.177 1.845 9.742 1.00 0.00 H new ATOM 87 N TYR A 6 20.730 -0.177 8.446 1.00 0.00 N ATOM 88 CA TYR A 6 21.920 0.675 8.732 1.00 0.00 C ATOM 89 C TYR A 6 22.414 1.339 7.444 1.00 0.00 C ATOM 90 O TYR A 6 22.759 2.503 7.427 1.00 0.00 O ATOM 91 CB TYR A 6 23.037 -0.201 9.304 1.00 0.00 C ATOM 92 CG TYR A 6 23.843 0.594 10.302 1.00 0.00 C ATOM 93 CD1 TYR A 6 23.386 0.735 11.618 1.00 0.00 C ATOM 94 CD2 TYR A 6 25.048 1.189 9.911 1.00 0.00 C ATOM 95 CE1 TYR A 6 24.132 1.474 12.542 1.00 0.00 C ATOM 96 CE2 TYR A 6 25.795 1.929 10.837 1.00 0.00 C ATOM 97 CZ TYR A 6 25.338 2.070 12.153 1.00 0.00 C ATOM 98 OH TYR A 6 26.072 2.800 13.065 1.00 0.00 O ATOM 0 H TYR A 6 20.939 -1.146 8.207 1.00 0.00 H new ATOM 0 HA TYR A 6 21.643 1.448 9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 6 22.612 -1.082 9.784 1.00 0.00 H new ATOM 0 HB3 TYR A 6 23.682 -0.556 8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 6 22.457 0.273 11.920 1.00 0.00 H new ATOM 0 HD2 TYR A 6 25.402 1.078 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 6 23.778 1.585 13.556 1.00 0.00 H new ATOM 0 HE2 TYR A 6 26.724 2.391 10.536 1.00 0.00 H new ATOM 0 HH TYR A 6 26.882 3.144 12.633 1.00 0.00 H new ATOM 108 N LEU A 7 22.469 0.604 6.372 1.00 0.00 N ATOM 109 CA LEU A 7 22.961 1.188 5.093 1.00 0.00 C ATOM 110 C LEU A 7 21.808 1.838 4.323 1.00 0.00 C ATOM 111 O LEU A 7 21.972 2.861 3.689 1.00 0.00 O ATOM 112 CB LEU A 7 23.568 0.076 4.236 1.00 0.00 C ATOM 113 CG LEU A 7 25.094 0.146 4.313 1.00 0.00 C ATOM 114 CD1 LEU A 7 25.570 1.501 3.790 1.00 0.00 C ATOM 115 CD2 LEU A 7 25.538 -0.023 5.768 1.00 0.00 C ATOM 0 H LEU A 7 22.195 -0.377 6.324 1.00 0.00 H new ATOM 0 HA LEU A 7 23.711 1.947 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 7 23.220 -0.897 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 7 23.241 0.180 3.202 1.00 0.00 H new ATOM 0 HG LEU A 7 25.525 -0.649 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.657 1.551 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.253 1.623 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.139 2.297 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.625 0.027 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 7 25.106 0.773 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 25.199 -0.989 6.142 1.00 0.00 H new ATOM 127 N SER A 8 20.652 1.238 4.349 1.00 0.00 N ATOM 128 CA SER A 8 19.498 1.807 3.594 1.00 0.00 C ATOM 129 C SER A 8 18.804 2.906 4.402 1.00 0.00 C ATOM 130 O SER A 8 17.665 3.242 4.142 1.00 0.00 O ATOM 131 CB SER A 8 18.494 0.694 3.297 1.00 0.00 C ATOM 132 OG SER A 8 19.162 -0.380 2.648 1.00 0.00 O ATOM 0 H SER A 8 20.454 0.378 4.860 1.00 0.00 H new ATOM 0 HA SER A 8 19.871 2.240 2.666 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.035 0.346 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.690 1.072 2.665 1.00 0.00 H new ATOM 0 HG SER A 8 19.324 -1.101 3.291 1.00 0.00 H new ATOM 138 N ASP A 9 19.463 3.478 5.373 1.00 0.00 N ATOM 139 CA ASP A 9 18.806 4.551 6.164 1.00 0.00 C ATOM 140 C ASP A 9 19.094 5.915 5.519 1.00 0.00 C ATOM 141 O ASP A 9 18.586 6.223 4.460 1.00 0.00 O ATOM 142 CB ASP A 9 19.314 4.521 7.610 1.00 0.00 C ATOM 143 CG ASP A 9 20.834 4.337 7.627 1.00 0.00 C ATOM 144 OD1 ASP A 9 21.462 4.655 6.630 1.00 0.00 O ATOM 145 OD2 ASP A 9 21.344 3.890 8.641 1.00 0.00 O ATOM 0 H ASP A 9 20.418 3.250 5.649 1.00 0.00 H new ATOM 0 HA ASP A 9 17.728 4.387 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.046 5.448 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.835 3.708 8.156 1.00 0.00 H new ATOM 150 N ILE A 10 19.899 6.739 6.141 1.00 0.00 N ATOM 151 CA ILE A 10 20.200 8.074 5.551 1.00 0.00 C ATOM 152 C ILE A 10 21.442 7.984 4.658 1.00 0.00 C ATOM 153 O ILE A 10 21.619 8.767 3.746 1.00 0.00 O ATOM 154 CB ILE A 10 20.459 9.082 6.673 1.00 0.00 C ATOM 155 CG1 ILE A 10 19.313 9.023 7.688 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.546 10.493 6.085 1.00 0.00 C ATOM 157 CD1 ILE A 10 17.979 9.221 6.966 1.00 0.00 C ATOM 0 H ILE A 10 20.359 6.543 7.030 1.00 0.00 H new ATOM 0 HA ILE A 10 19.348 8.398 4.953 1.00 0.00 H new ATOM 0 HB ILE A 10 21.398 8.837 7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.320 8.063 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.446 9.794 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.730 11.210 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 10 21.362 10.537 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.608 10.738 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.164 9.179 7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.974 10.192 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.847 8.434 6.224 1.00 0.00 H new ATOM 169 N THR A 11 22.308 7.044 4.921 1.00 0.00 N ATOM 170 CA THR A 11 23.543 6.916 4.097 1.00 0.00 C ATOM 171 C THR A 11 23.176 6.755 2.621 1.00 0.00 C ATOM 172 O THR A 11 23.917 7.155 1.744 1.00 0.00 O ATOM 173 CB THR A 11 24.341 5.695 4.561 1.00 0.00 C ATOM 174 OG1 THR A 11 23.534 4.531 4.447 1.00 0.00 O ATOM 175 CG2 THR A 11 24.763 5.888 6.018 1.00 0.00 C ATOM 0 H THR A 11 22.214 6.359 5.671 1.00 0.00 H new ATOM 0 HA THR A 11 24.146 7.816 4.217 1.00 0.00 H new ATOM 0 HB THR A 11 25.229 5.581 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.858 4.531 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.331 5.019 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.382 6.781 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.876 6.002 6.642 1.00 0.00 H new ATOM 183 N ASP A 12 22.045 6.174 2.333 1.00 0.00 N ATOM 184 CA ASP A 12 21.650 5.995 0.908 1.00 0.00 C ATOM 185 C ASP A 12 21.859 7.310 0.153 1.00 0.00 C ATOM 186 O ASP A 12 22.261 7.322 -0.993 1.00 0.00 O ATOM 187 CB ASP A 12 20.177 5.589 0.831 1.00 0.00 C ATOM 188 CG ASP A 12 19.294 6.791 1.173 1.00 0.00 C ATOM 189 OD1 ASP A 12 19.211 7.126 2.343 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.717 7.356 0.259 1.00 0.00 O ATOM 0 H ASP A 12 21.380 5.817 3.019 1.00 0.00 H new ATOM 0 HA ASP A 12 22.263 5.215 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.942 5.225 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.978 4.771 1.523 1.00 0.00 H new ATOM 195 N ALA A 13 21.588 8.419 0.787 1.00 0.00 N ATOM 196 CA ALA A 13 21.769 9.729 0.104 1.00 0.00 C ATOM 197 C ALA A 13 23.116 10.341 0.499 1.00 0.00 C ATOM 198 O ALA A 13 23.701 11.106 -0.241 1.00 0.00 O ATOM 199 CB ALA A 13 20.643 10.680 0.512 1.00 0.00 C ATOM 0 H ALA A 13 21.249 8.473 1.748 1.00 0.00 H new ATOM 0 HA ALA A 13 21.745 9.574 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.777 11.639 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 19.683 10.252 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.665 10.829 1.592 1.00 0.00 H new ATOM 205 N PHE A 14 23.612 10.013 1.661 1.00 0.00 N ATOM 206 CA PHE A 14 24.917 10.584 2.097 1.00 0.00 C ATOM 207 C PHE A 14 25.935 10.445 0.967 1.00 0.00 C ATOM 208 O PHE A 14 26.612 11.386 0.604 1.00 0.00 O ATOM 209 CB PHE A 14 25.421 9.828 3.330 1.00 0.00 C ATOM 210 CG PHE A 14 26.861 10.200 3.597 1.00 0.00 C ATOM 211 CD1 PHE A 14 27.241 11.548 3.628 1.00 0.00 C ATOM 212 CD2 PHE A 14 27.816 9.198 3.809 1.00 0.00 C ATOM 213 CE1 PHE A 14 28.575 11.893 3.872 1.00 0.00 C ATOM 214 CE2 PHE A 14 29.150 9.545 4.054 1.00 0.00 C ATOM 215 CZ PHE A 14 29.530 10.892 4.085 1.00 0.00 C ATOM 0 H PHE A 14 23.171 9.376 2.325 1.00 0.00 H new ATOM 0 HA PHE A 14 24.787 11.637 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 14 24.805 10.072 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 14 25.336 8.753 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 14 26.505 12.321 3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 14 27.524 8.159 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 14 28.868 12.932 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 14 29.887 8.773 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.559 11.159 4.273 1.00 0.00 H new ATOM 225 N SER A 15 26.054 9.272 0.417 1.00 0.00 N ATOM 226 CA SER A 15 27.033 9.059 -0.677 1.00 0.00 C ATOM 227 C SER A 15 26.425 8.172 -1.767 1.00 0.00 C ATOM 228 O SER A 15 26.495 6.963 -1.685 1.00 0.00 O ATOM 229 CB SER A 15 28.268 8.372 -0.102 1.00 0.00 C ATOM 230 OG SER A 15 28.865 7.560 -1.105 1.00 0.00 O ATOM 0 H SER A 15 25.512 8.449 0.680 1.00 0.00 H new ATOM 0 HA SER A 15 27.302 10.021 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 15 28.981 9.117 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 27.992 7.763 0.758 1.00 0.00 H new ATOM 0 HG SER A 15 28.251 6.836 -1.348 1.00 0.00 H new ATOM 236 N PRO A 16 25.858 8.802 -2.761 1.00 0.00 N ATOM 237 CA PRO A 16 25.211 8.175 -3.953 1.00 0.00 C ATOM 238 C PRO A 16 26.229 8.100 -5.089 1.00 0.00 C ATOM 239 O PRO A 16 26.787 7.056 -5.377 1.00 0.00 O ATOM 240 CB PRO A 16 24.079 9.121 -4.325 1.00 0.00 C ATOM 241 CG PRO A 16 24.471 10.488 -3.785 1.00 0.00 C ATOM 242 CD PRO A 16 25.723 10.286 -2.925 1.00 0.00 C ATOM 0 HA PRO A 16 24.849 7.165 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.940 9.155 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.136 8.788 -3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.671 11.182 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.662 10.916 -3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 16 26.604 10.710 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.620 10.780 -1.959 1.00 0.00 H new ATOM 250 N GLN A 17 26.502 9.211 -5.713 1.00 0.00 N ATOM 251 CA GLN A 17 27.509 9.217 -6.800 1.00 0.00 C ATOM 252 C GLN A 17 28.870 8.956 -6.162 1.00 0.00 C ATOM 253 O GLN A 17 29.818 8.561 -6.811 1.00 0.00 O ATOM 254 CB GLN A 17 27.507 10.583 -7.486 1.00 0.00 C ATOM 255 CG GLN A 17 26.100 10.899 -7.999 1.00 0.00 C ATOM 256 CD GLN A 17 25.974 10.459 -9.459 1.00 0.00 C ATOM 257 OE1 GLN A 17 25.069 9.728 -9.810 1.00 0.00 O ATOM 258 NE2 GLN A 17 26.849 10.878 -10.333 1.00 0.00 N ATOM 0 H GLN A 17 26.069 10.113 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 17 27.285 8.455 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 17 27.831 11.353 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 17 28.216 10.586 -8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 17 25.356 10.387 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.902 11.967 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 17 27.609 11.492 -10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.772 10.592 -11.309 1.00 0.00 H new ATOM 267 N VAL A 18 28.957 9.169 -4.875 1.00 0.00 N ATOM 268 CA VAL A 18 30.229 8.934 -4.151 1.00 0.00 C ATOM 269 C VAL A 18 30.347 7.448 -3.831 1.00 0.00 C ATOM 270 O VAL A 18 31.418 6.944 -3.593 1.00 0.00 O ATOM 271 CB VAL A 18 30.215 9.730 -2.857 1.00 0.00 C ATOM 272 CG1 VAL A 18 31.636 9.841 -2.301 1.00 0.00 C ATOM 273 CG2 VAL A 18 29.663 11.131 -3.127 1.00 0.00 C ATOM 0 H VAL A 18 28.188 9.500 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 18 31.074 9.247 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 18 29.583 9.221 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 18 31.620 10.413 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 18 32.029 8.843 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 32.273 10.346 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 18 29.652 11.703 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 30.295 11.636 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 18 28.648 11.053 -3.517 1.00 0.00 H new ATOM 283 N LEU A 19 29.253 6.737 -3.829 1.00 0.00 N ATOM 284 CA LEU A 19 29.332 5.276 -3.546 1.00 0.00 C ATOM 285 C LEU A 19 29.970 4.595 -4.758 1.00 0.00 C ATOM 286 O LEU A 19 30.926 3.854 -4.639 1.00 0.00 O ATOM 287 CB LEU A 19 27.932 4.707 -3.313 1.00 0.00 C ATOM 288 CG LEU A 19 28.016 3.530 -2.338 1.00 0.00 C ATOM 289 CD1 LEU A 19 26.807 3.557 -1.401 1.00 0.00 C ATOM 290 CD2 LEU A 19 28.020 2.217 -3.124 1.00 0.00 C ATOM 0 H LEU A 19 28.317 7.100 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 19 29.927 5.100 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 27.276 5.479 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 19 27.499 4.380 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 19 28.932 3.608 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.866 2.719 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.801 4.492 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 19 25.891 3.479 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 19 28.080 1.378 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.103 2.140 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 19 28.880 2.196 -3.794 1.00 0.00 H new ATOM 302 N ALA A 20 29.465 4.862 -5.934 1.00 0.00 N ATOM 303 CA ALA A 20 30.068 4.251 -7.152 1.00 0.00 C ATOM 304 C ALA A 20 31.506 4.748 -7.269 1.00 0.00 C ATOM 305 O ALA A 20 32.442 3.980 -7.360 1.00 0.00 O ATOM 306 CB ALA A 20 29.283 4.688 -8.386 1.00 0.00 C ATOM 0 H ALA A 20 28.666 5.473 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 20 30.043 3.164 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.725 4.240 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.247 4.362 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.315 5.774 -8.472 1.00 0.00 H new ATOM 312 N ALA A 21 31.680 6.039 -7.247 1.00 0.00 N ATOM 313 CA ALA A 21 33.051 6.616 -7.331 1.00 0.00 C ATOM 314 C ALA A 21 33.941 5.918 -6.308 1.00 0.00 C ATOM 315 O ALA A 21 35.055 5.523 -6.585 1.00 0.00 O ATOM 316 CB ALA A 21 32.979 8.100 -6.981 1.00 0.00 C ATOM 0 H ALA A 21 30.928 6.724 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 21 33.454 6.482 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 33.976 8.536 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 32.320 8.608 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 32.590 8.217 -5.970 1.00 0.00 H new ATOM 322 N VAL A 22 33.437 5.782 -5.122 1.00 0.00 N ATOM 323 CA VAL A 22 34.206 5.124 -4.028 1.00 0.00 C ATOM 324 C VAL A 22 34.859 3.847 -4.566 1.00 0.00 C ATOM 325 O VAL A 22 36.002 3.563 -4.279 1.00 0.00 O ATOM 326 CB VAL A 22 33.250 4.799 -2.862 1.00 0.00 C ATOM 327 CG1 VAL A 22 33.697 3.529 -2.124 1.00 0.00 C ATOM 328 CG2 VAL A 22 33.242 5.969 -1.875 1.00 0.00 C ATOM 0 H VAL A 22 32.507 6.104 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 22 34.989 5.789 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 22 32.252 4.636 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 22 33.007 3.321 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 22 33.702 2.688 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 22 34.700 3.675 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 22 32.567 5.744 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 34.249 6.126 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.904 6.872 -2.384 1.00 0.00 H new ATOM 338 N ILE A 23 34.144 3.072 -5.336 1.00 0.00 N ATOM 339 CA ILE A 23 34.743 1.820 -5.878 1.00 0.00 C ATOM 340 C ILE A 23 35.824 2.176 -6.901 1.00 0.00 C ATOM 341 O ILE A 23 36.846 1.528 -6.980 1.00 0.00 O ATOM 342 CB ILE A 23 33.660 0.966 -6.540 1.00 0.00 C ATOM 343 CG1 ILE A 23 32.596 0.593 -5.502 1.00 0.00 C ATOM 344 CG2 ILE A 23 34.293 -0.311 -7.094 1.00 0.00 C ATOM 345 CD1 ILE A 23 33.195 -0.379 -4.484 1.00 0.00 C ATOM 0 H ILE A 23 33.178 3.250 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 23 35.189 1.251 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 23 33.197 1.530 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.236 1.489 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.737 0.137 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.524 -0.923 -7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.053 -0.050 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.753 -0.872 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.438 -0.644 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.534 -1.279 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.040 0.093 -3.984 1.00 0.00 H new ATOM 357 N PHE A 24 35.616 3.206 -7.675 1.00 0.00 N ATOM 358 CA PHE A 24 36.650 3.604 -8.675 1.00 0.00 C ATOM 359 C PHE A 24 37.976 3.813 -7.942 1.00 0.00 C ATOM 360 O PHE A 24 38.999 3.276 -8.318 1.00 0.00 O ATOM 361 CB PHE A 24 36.222 4.914 -9.348 1.00 0.00 C ATOM 362 CG PHE A 24 36.223 4.752 -10.850 1.00 0.00 C ATOM 363 CD1 PHE A 24 37.412 4.449 -11.523 1.00 0.00 C ATOM 364 CD2 PHE A 24 35.033 4.912 -11.570 1.00 0.00 C ATOM 365 CE1 PHE A 24 37.411 4.304 -12.916 1.00 0.00 C ATOM 366 CE2 PHE A 24 35.032 4.768 -12.963 1.00 0.00 C ATOM 367 CZ PHE A 24 36.221 4.463 -13.635 1.00 0.00 C ATOM 0 H PHE A 24 34.778 3.788 -7.659 1.00 0.00 H new ATOM 0 HA PHE A 24 36.762 2.830 -9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 24 35.227 5.199 -9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 24 36.900 5.718 -9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 24 38.330 4.327 -10.968 1.00 0.00 H new ATOM 0 HD2 PHE A 24 34.115 5.147 -11.051 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.328 4.070 -13.435 1.00 0.00 H new ATOM 0 HE2 PHE A 24 34.114 4.892 -13.518 1.00 0.00 H new ATOM 0 HZ PHE A 24 36.220 4.350 -14.709 1.00 0.00 H new ATOM 377 N ILE A 25 37.959 4.575 -6.882 1.00 0.00 N ATOM 378 CA ILE A 25 39.209 4.801 -6.107 1.00 0.00 C ATOM 379 C ILE A 25 39.553 3.511 -5.366 1.00 0.00 C ATOM 380 O ILE A 25 40.699 3.233 -5.083 1.00 0.00 O ATOM 381 CB ILE A 25 38.989 5.929 -5.097 1.00 0.00 C ATOM 382 CG1 ILE A 25 38.364 7.141 -5.800 1.00 0.00 C ATOM 383 CG2 ILE A 25 40.329 6.329 -4.477 1.00 0.00 C ATOM 384 CD1 ILE A 25 39.423 7.861 -6.637 1.00 0.00 C ATOM 0 H ILE A 25 37.132 5.050 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 25 40.023 5.079 -6.777 1.00 0.00 H new ATOM 0 HB ILE A 25 38.315 5.583 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 25 37.541 6.818 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.945 7.825 -5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.172 7.133 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.767 5.469 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 25 41.005 6.671 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.972 8.720 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 25 40.231 8.199 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.821 7.177 -7.386 1.00 0.00 H new ATOM 396 N TYR A 26 38.567 2.706 -5.071 1.00 0.00 N ATOM 397 CA TYR A 26 38.846 1.421 -4.379 1.00 0.00 C ATOM 398 C TYR A 26 39.487 0.474 -5.391 1.00 0.00 C ATOM 399 O TYR A 26 40.081 -0.527 -5.044 1.00 0.00 O ATOM 400 CB TYR A 26 37.538 0.822 -3.861 1.00 0.00 C ATOM 401 CG TYR A 26 37.651 0.576 -2.376 1.00 0.00 C ATOM 402 CD1 TYR A 26 38.659 -0.259 -1.881 1.00 0.00 C ATOM 403 CD2 TYR A 26 36.751 1.186 -1.494 1.00 0.00 C ATOM 404 CE1 TYR A 26 38.768 -0.485 -0.504 1.00 0.00 C ATOM 405 CE2 TYR A 26 36.860 0.960 -0.115 1.00 0.00 C ATOM 406 CZ TYR A 26 37.869 0.124 0.380 1.00 0.00 C ATOM 407 OH TYR A 26 37.980 -0.099 1.737 1.00 0.00 O ATOM 0 H TYR A 26 37.585 2.885 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 26 39.514 1.579 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 26 36.709 1.499 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 26 37.323 -0.112 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 26 39.353 -0.729 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 26 35.973 1.830 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 26 39.546 -1.130 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 26 36.166 1.430 0.566 1.00 0.00 H new ATOM 0 HH TYR A 26 37.280 0.399 2.209 1.00 0.00 H new ATOM 417 N PHE A 27 39.376 0.808 -6.648 1.00 0.00 N ATOM 418 CA PHE A 27 39.975 -0.024 -7.717 1.00 0.00 C ATOM 419 C PHE A 27 41.397 0.473 -7.957 1.00 0.00 C ATOM 420 O PHE A 27 42.310 -0.283 -8.226 1.00 0.00 O ATOM 421 CB PHE A 27 39.145 0.159 -8.991 1.00 0.00 C ATOM 422 CG PHE A 27 39.021 -1.160 -9.712 1.00 0.00 C ATOM 423 CD1 PHE A 27 38.681 -2.315 -9.001 1.00 0.00 C ATOM 424 CD2 PHE A 27 39.244 -1.228 -11.093 1.00 0.00 C ATOM 425 CE1 PHE A 27 38.565 -3.540 -9.668 1.00 0.00 C ATOM 426 CE2 PHE A 27 39.127 -2.453 -11.761 1.00 0.00 C ATOM 427 CZ PHE A 27 38.787 -3.609 -11.049 1.00 0.00 C ATOM 0 H PHE A 27 38.885 1.639 -6.980 1.00 0.00 H new ATOM 0 HA PHE A 27 39.990 -1.077 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 27 38.156 0.541 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 27 39.616 0.896 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 27 38.508 -2.262 -7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.506 -0.336 -11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 27 38.304 -4.432 -9.118 1.00 0.00 H new ATOM 0 HE2 PHE A 27 39.299 -2.506 -12.826 1.00 0.00 H new ATOM 0 HZ PHE A 27 38.696 -4.554 -11.564 1.00 0.00 H new ATOM 437 N ALA A 28 41.572 1.757 -7.850 1.00 0.00 N ATOM 438 CA ALA A 28 42.909 2.373 -8.054 1.00 0.00 C ATOM 439 C ALA A 28 43.857 1.938 -6.932 1.00 0.00 C ATOM 440 O ALA A 28 44.916 1.391 -7.169 1.00 0.00 O ATOM 441 CB ALA A 28 42.741 3.895 -8.017 1.00 0.00 C ATOM 0 H ALA A 28 40.829 2.419 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 28 43.327 2.057 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 28 43.710 4.372 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.060 4.205 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 28 42.334 4.193 -7.051 1.00 0.00 H new ATOM 447 N ALA A 29 43.479 2.196 -5.714 1.00 0.00 N ATOM 448 CA ALA A 29 44.333 1.829 -4.546 1.00 0.00 C ATOM 449 C ALA A 29 44.576 0.319 -4.497 1.00 0.00 C ATOM 450 O ALA A 29 45.691 -0.138 -4.342 1.00 0.00 O ATOM 451 CB ALA A 29 43.609 2.240 -3.267 1.00 0.00 C ATOM 0 H ALA A 29 42.600 2.653 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 29 45.292 2.338 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 29 44.220 1.979 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 29 43.436 3.316 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.653 1.719 -3.206 1.00 0.00 H new ATOM 457 N LEU A 30 43.532 -0.454 -4.589 1.00 0.00 N ATOM 458 CA LEU A 30 43.680 -1.941 -4.504 1.00 0.00 C ATOM 459 C LEU A 30 44.431 -2.514 -5.726 1.00 0.00 C ATOM 460 O LEU A 30 44.554 -3.713 -5.866 1.00 0.00 O ATOM 461 CB LEU A 30 42.274 -2.574 -4.351 1.00 0.00 C ATOM 462 CG LEU A 30 41.879 -3.420 -5.574 1.00 0.00 C ATOM 463 CD1 LEU A 30 42.360 -4.862 -5.383 1.00 0.00 C ATOM 464 CD2 LEU A 30 40.356 -3.417 -5.718 1.00 0.00 C ATOM 0 H LEU A 30 42.576 -0.123 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 30 44.285 -2.190 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 30 42.254 -3.199 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 41.537 -1.785 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 30 42.339 -2.998 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.078 -5.458 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 30 43.444 -4.872 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 41.900 -5.284 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 30 40.071 -4.015 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 30 39.905 -3.840 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 30 40.005 -2.394 -5.853 1.00 0.00 H new ATOM 476 N SER A 31 44.938 -1.683 -6.601 1.00 0.00 N ATOM 477 CA SER A 31 45.676 -2.202 -7.793 1.00 0.00 C ATOM 478 C SER A 31 46.499 -3.447 -7.428 1.00 0.00 C ATOM 479 O SER A 31 46.455 -4.444 -8.120 1.00 0.00 O ATOM 480 CB SER A 31 46.613 -1.117 -8.318 1.00 0.00 C ATOM 481 OG SER A 31 46.544 -1.086 -9.739 1.00 0.00 O ATOM 0 H SER A 31 44.873 -0.667 -6.542 1.00 0.00 H new ATOM 0 HA SER A 31 44.950 -2.476 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 31 46.332 -0.147 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 31 47.635 -1.316 -7.996 1.00 0.00 H new ATOM 0 HG SER A 31 47.143 -0.389 -10.080 1.00 0.00 H new ATOM 487 N PRO A 32 47.233 -3.337 -6.355 1.00 0.00 N ATOM 488 CA PRO A 32 48.138 -4.391 -5.785 1.00 0.00 C ATOM 489 C PRO A 32 47.380 -5.316 -4.823 1.00 0.00 C ATOM 490 O PRO A 32 47.666 -6.493 -4.728 1.00 0.00 O ATOM 491 CB PRO A 32 49.220 -3.619 -5.042 1.00 0.00 C ATOM 492 CG PRO A 32 48.626 -2.269 -4.687 1.00 0.00 C ATOM 493 CD PRO A 32 47.322 -2.127 -5.473 1.00 0.00 C ATOM 0 HA PRO A 32 48.547 -5.034 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 32 49.530 -4.154 -4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 32 50.107 -3.500 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 32 48.438 -2.201 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 32 49.318 -1.466 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 32 46.466 -2.071 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 32 47.322 -1.212 -6.066 1.00 0.00 H new ATOM 501 N ALA A 33 46.424 -4.797 -4.105 1.00 0.00 N ATOM 502 CA ALA A 33 45.658 -5.647 -3.144 1.00 0.00 C ATOM 503 C ALA A 33 44.987 -6.802 -3.878 1.00 0.00 C ATOM 504 O ALA A 33 44.529 -7.738 -3.273 1.00 0.00 O ATOM 505 CB ALA A 33 44.578 -4.805 -2.484 1.00 0.00 C ATOM 0 H ALA A 33 46.137 -3.819 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 33 46.348 -6.041 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 33 44.016 -5.420 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 33 45.040 -3.974 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 33 43.903 -4.416 -3.246 1.00 0.00 H new ATOM 511 N ILE A 34 44.904 -6.727 -5.168 1.00 0.00 N ATOM 512 CA ILE A 34 44.238 -7.815 -5.953 1.00 0.00 C ATOM 513 C ILE A 34 44.552 -9.196 -5.357 1.00 0.00 C ATOM 514 O ILE A 34 43.672 -10.012 -5.167 1.00 0.00 O ATOM 515 CB ILE A 34 44.734 -7.765 -7.400 1.00 0.00 C ATOM 516 CG1 ILE A 34 43.945 -8.774 -8.249 1.00 0.00 C ATOM 517 CG2 ILE A 34 46.229 -8.096 -7.451 1.00 0.00 C ATOM 518 CD1 ILE A 34 44.437 -10.202 -7.982 1.00 0.00 C ATOM 0 H ILE A 34 45.269 -5.956 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 34 43.160 -7.660 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 34 44.581 -6.762 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 34 42.882 -8.700 -8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 34 44.059 -8.536 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 34 46.575 -8.058 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 34 46.783 -7.370 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 34 46.394 -9.096 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 34 43.867 -10.903 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 34 45.494 -10.276 -8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 34 44.300 -10.443 -6.928 1.00 0.00 H new ATOM 530 N THR A 35 45.796 -9.468 -5.072 1.00 0.00 N ATOM 531 CA THR A 35 46.169 -10.794 -4.504 1.00 0.00 C ATOM 532 C THR A 35 46.145 -10.717 -2.981 1.00 0.00 C ATOM 533 O THR A 35 47.017 -11.222 -2.303 1.00 0.00 O ATOM 534 CB THR A 35 47.574 -11.176 -4.978 1.00 0.00 C ATOM 535 OG1 THR A 35 47.875 -12.499 -4.553 1.00 0.00 O ATOM 536 CG2 THR A 35 48.596 -10.202 -4.391 1.00 0.00 C ATOM 0 H THR A 35 46.575 -8.824 -5.209 1.00 0.00 H new ATOM 0 HA THR A 35 45.458 -11.548 -4.840 1.00 0.00 H new ATOM 0 HB THR A 35 47.615 -11.128 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.712 -12.578 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.595 -10.475 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 35 48.365 -9.189 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.557 -10.246 -3.303 1.00 0.00 H new ATOM 544 N PHE A 36 45.154 -10.081 -2.443 1.00 0.00 N ATOM 545 CA PHE A 36 45.066 -9.954 -0.961 1.00 0.00 C ATOM 546 C PHE A 36 44.508 -11.249 -0.366 1.00 0.00 C ATOM 547 O PHE A 36 43.839 -12.013 -1.032 1.00 0.00 O ATOM 548 CB PHE A 36 44.156 -8.776 -0.594 1.00 0.00 C ATOM 549 CG PHE A 36 42.707 -9.161 -0.794 1.00 0.00 C ATOM 550 CD1 PHE A 36 42.115 -9.037 -2.056 1.00 0.00 C ATOM 551 CD2 PHE A 36 41.958 -9.641 0.287 1.00 0.00 C ATOM 552 CE1 PHE A 36 40.773 -9.393 -2.238 1.00 0.00 C ATOM 553 CE2 PHE A 36 40.616 -9.997 0.105 1.00 0.00 C ATOM 554 CZ PHE A 36 40.024 -9.874 -1.157 1.00 0.00 C ATOM 0 H PHE A 36 44.395 -9.640 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 36 46.061 -9.774 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 36 44.324 -8.485 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 36 44.400 -7.911 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 36 42.693 -8.667 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 36 42.415 -9.737 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.316 -9.297 -3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 36 40.038 -10.367 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 36 38.989 -10.150 -1.297 1.00 0.00 H new ATOM 564 N GLY A 37 44.781 -11.502 0.885 1.00 0.00 N ATOM 565 CA GLY A 37 44.268 -12.747 1.522 1.00 0.00 C ATOM 566 C GLY A 37 44.012 -12.495 3.008 1.00 0.00 C ATOM 567 O GLY A 37 44.613 -13.114 3.863 1.00 0.00 O ATOM 0 H GLY A 37 45.337 -10.900 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 37 43.347 -13.065 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 37 44.990 -13.555 1.399 1.00 0.00 H new ATOM 571 N GLY A 38 43.124 -11.592 3.324 1.00 0.00 N ATOM 572 CA GLY A 38 42.832 -11.305 4.757 1.00 0.00 C ATOM 573 C GLY A 38 43.108 -9.829 5.055 1.00 0.00 C ATOM 574 O GLY A 38 44.175 -9.466 5.510 1.00 0.00 O ATOM 0 H GLY A 38 42.589 -11.041 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 38 41.792 -11.543 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 38 43.448 -11.936 5.397 1.00 0.00 H new ATOM 578 N LEU A 39 42.153 -8.976 4.803 1.00 0.00 N ATOM 579 CA LEU A 39 42.357 -7.525 5.074 1.00 0.00 C ATOM 580 C LEU A 39 42.999 -7.352 6.452 1.00 0.00 C ATOM 581 O LEU A 39 43.071 -8.278 7.235 1.00 0.00 O ATOM 582 CB LEU A 39 41.004 -6.807 5.042 1.00 0.00 C ATOM 583 CG LEU A 39 40.866 -6.038 3.727 1.00 0.00 C ATOM 584 CD1 LEU A 39 39.421 -6.121 3.231 1.00 0.00 C ATOM 585 CD2 LEU A 39 41.239 -4.572 3.957 1.00 0.00 C ATOM 0 H LEU A 39 41.240 -9.222 4.421 1.00 0.00 H new ATOM 0 HA LEU A 39 43.011 -7.098 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 39 40.194 -7.530 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 39 40.923 -6.122 5.886 1.00 0.00 H new ATOM 0 HG LEU A 39 41.530 -6.474 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 39.326 -5.572 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 39 39.151 -7.165 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 39 38.755 -5.685 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 39 41.142 -4.021 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 39 40.573 -4.140 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 39 42.268 -4.510 4.310 1.00 0.00 H new ATOM 597 N LEU A 40 43.470 -6.174 6.755 1.00 0.00 N ATOM 598 CA LEU A 40 44.108 -5.948 8.081 1.00 0.00 C ATOM 599 C LEU A 40 43.035 -5.583 9.109 1.00 0.00 C ATOM 600 O LEU A 40 42.877 -6.245 10.116 1.00 0.00 O ATOM 601 CB LEU A 40 45.124 -4.808 7.970 1.00 0.00 C ATOM 602 CG LEU A 40 46.478 -5.369 7.525 1.00 0.00 C ATOM 603 CD1 LEU A 40 47.114 -6.148 8.677 1.00 0.00 C ATOM 604 CD2 LEU A 40 46.275 -6.307 6.332 1.00 0.00 C ATOM 0 H LEU A 40 43.440 -5.359 6.142 1.00 0.00 H new ATOM 0 HA LEU A 40 44.618 -6.857 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 40 44.774 -4.064 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 40 45.226 -4.303 8.931 1.00 0.00 H new ATOM 0 HG LEU A 40 47.132 -4.546 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 40 48.077 -6.547 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 47.260 -5.484 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 40 46.459 -6.970 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 40 47.238 -6.706 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 40 45.620 -7.128 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 45.822 -5.755 5.508 1.00 0.00 H new ATOM 616 N GLY A 41 42.295 -4.537 8.864 1.00 0.00 N ATOM 617 CA GLY A 41 41.233 -4.133 9.828 1.00 0.00 C ATOM 618 C GLY A 41 41.677 -2.881 10.586 1.00 0.00 C ATOM 619 O GLY A 41 40.887 -2.221 11.232 1.00 0.00 O ATOM 0 H GLY A 41 42.380 -3.945 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 40.301 -3.938 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 41 41.036 -4.944 10.529 1.00 0.00 H new ATOM 623 N GLU A 42 42.938 -2.549 10.515 1.00 0.00 N ATOM 624 CA GLU A 42 43.432 -1.340 11.231 1.00 0.00 C ATOM 625 C GLU A 42 42.999 -0.084 10.473 1.00 0.00 C ATOM 626 O GLU A 42 42.400 0.813 11.031 1.00 0.00 O ATOM 627 CB GLU A 42 44.958 -1.384 11.314 1.00 0.00 C ATOM 628 CG GLU A 42 45.430 -0.484 12.457 1.00 0.00 C ATOM 629 CD GLU A 42 45.836 -1.349 13.653 1.00 0.00 C ATOM 630 OE1 GLU A 42 46.492 -2.354 13.436 1.00 0.00 O ATOM 631 OE2 GLU A 42 45.483 -0.991 14.764 1.00 0.00 O ATOM 0 H GLU A 42 43.647 -3.063 9.992 1.00 0.00 H new ATOM 0 HA GLU A 42 43.014 -1.319 12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 45.295 -2.407 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 42 45.394 -1.053 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 42 46.274 0.124 12.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 44.635 0.203 12.745 1.00 0.00 H new ATOM 638 N LYS A 43 43.296 -0.013 9.205 1.00 0.00 N ATOM 639 CA LYS A 43 42.900 1.185 8.413 1.00 0.00 C ATOM 640 C LYS A 43 41.487 0.987 7.861 1.00 0.00 C ATOM 641 O LYS A 43 40.619 1.765 8.219 1.00 0.00 O ATOM 642 CB LYS A 43 43.878 1.376 7.250 1.00 0.00 C ATOM 643 CG LYS A 43 45.138 2.083 7.753 1.00 0.00 C ATOM 644 CD LYS A 43 45.000 3.591 7.536 1.00 0.00 C ATOM 645 CE LYS A 43 45.974 4.330 8.455 1.00 0.00 C ATOM 646 NZ LYS A 43 46.474 5.556 7.770 1.00 0.00 N ATOM 647 OXT LYS A 43 41.298 0.060 7.091 1.00 0.00 O ATOM 0 H LYS A 43 43.796 -0.733 8.683 1.00 0.00 H new ATOM 0 HA LYS A 43 42.921 2.066 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 44.138 0.410 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 43.410 1.963 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 43 45.289 1.870 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 43 46.014 1.708 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 43 45.206 3.840 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 43.977 3.907 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 45.477 4.599 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 46.809 3.680 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 47.136 6.058 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 46.963 5.288 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 45.672 6.179 7.544 1.00 0.00 H new TER 661 LYS A 43