USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 Set 1.1: A 46 MET CE :methyl -108:sc= -5.16! (180deg=-9.41!) USER MOD Set 1.2: A 85 GLN : amide:sc= -2.1 K(o=-7.3,f=-8.6) USER MOD Set 2.1: A 3 MET CE :methyl -138:sc= -2.48 (180deg=-0.393) USER MOD Set 2.2: A 81 MET CE :methyl -151:sc= -7.54! (180deg=-10.7!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -1.78 F(o=-2.4!,f=-1.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.0482 (180deg=-0.502) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 160:sc= 0.02 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.172 (180deg=-0.815) USER MOD Single : A 51 GLN : amide:sc= -2.84! C(o=-2.8!,f=-11!) USER MOD Single : A 52 ASN : amide:sc= -2.09 K(o=-2.1,f=-5.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 167:sc= 1.27 USER MOD Single : A 82 MET CE :methyl -137:sc= -4.23! (180deg=-9.55!) USER MOD Single : A 86 MET CE :methyl -159:sc= -1.58! (180deg=-2.77!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.387 -6.086 -10.947 1.00 0.00 N ATOM 25 CA MET A 3 64.498 -5.350 -9.655 1.00 0.00 C ATOM 26 C MET A 3 63.343 -4.354 -9.513 1.00 0.00 C ATOM 27 O MET A 3 62.729 -4.246 -8.470 1.00 0.00 O ATOM 28 CB MET A 3 65.834 -4.611 -9.734 1.00 0.00 C ATOM 29 CG MET A 3 66.846 -5.287 -8.806 1.00 0.00 C ATOM 30 SD MET A 3 66.930 -4.381 -7.241 1.00 0.00 S ATOM 31 CE MET A 3 68.690 -4.646 -6.919 1.00 0.00 C ATOM 0 HA MET A 3 64.451 -6.017 -8.794 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.205 -4.616 -10.759 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.702 -3.568 -9.448 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.554 -6.321 -8.624 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.828 -5.311 -9.278 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.836 -4.877 -5.864 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.050 -5.477 -7.526 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.246 -3.744 -7.173 1.00 0.00 H new ATOM 41 N THR A 4 63.043 -3.627 -10.554 1.00 0.00 N ATOM 42 CA THR A 4 61.928 -2.640 -10.479 1.00 0.00 C ATOM 43 C THR A 4 60.638 -3.331 -10.029 1.00 0.00 C ATOM 44 O THR A 4 59.745 -2.709 -9.491 1.00 0.00 O ATOM 45 CB THR A 4 61.782 -2.099 -11.902 1.00 0.00 C ATOM 46 OG1 THR A 4 60.609 -1.302 -11.984 1.00 0.00 O ATOM 47 CG2 THR A 4 61.680 -3.265 -12.885 1.00 0.00 C ATOM 0 H THR A 4 63.522 -3.673 -11.454 1.00 0.00 H new ATOM 0 HA THR A 4 62.127 -1.845 -9.760 1.00 0.00 H new ATOM 0 HB THR A 4 62.652 -1.492 -12.153 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.514 -0.953 -12.895 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.576 -2.878 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.581 -3.875 -12.820 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.810 -3.874 -12.638 1.00 0.00 H new ATOM 55 N ASP A 5 60.536 -4.614 -10.248 1.00 0.00 N ATOM 56 CA ASP A 5 59.303 -5.344 -9.833 1.00 0.00 C ATOM 57 C ASP A 5 59.338 -5.626 -8.329 1.00 0.00 C ATOM 58 O ASP A 5 58.315 -5.703 -7.678 1.00 0.00 O ATOM 59 CB ASP A 5 59.330 -6.650 -10.627 1.00 0.00 C ATOM 60 CG ASP A 5 57.901 -7.167 -10.806 1.00 0.00 C ATOM 61 OD1 ASP A 5 56.995 -6.351 -10.824 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.738 -8.370 -10.925 1.00 0.00 O ATOM 0 H ASP A 5 61.251 -5.188 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 5 58.397 -4.770 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.794 -6.487 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.934 -7.393 -10.106 1.00 0.00 H new ATOM 67 N GLN A 6 60.508 -5.779 -7.772 1.00 0.00 N ATOM 68 CA GLN A 6 60.606 -6.053 -6.310 1.00 0.00 C ATOM 69 C GLN A 6 60.164 -4.824 -5.513 1.00 0.00 C ATOM 70 O GLN A 6 59.811 -4.917 -4.354 1.00 0.00 O ATOM 71 CB GLN A 6 62.084 -6.352 -6.060 1.00 0.00 C ATOM 72 CG GLN A 6 62.219 -7.677 -5.308 1.00 0.00 C ATOM 73 CD GLN A 6 63.105 -8.630 -6.112 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.643 -9.643 -6.600 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.369 -8.348 -6.272 1.00 0.00 N ATOM 0 H GLN A 6 61.399 -5.726 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 6 59.966 -6.880 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.620 -6.404 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.536 -5.546 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.651 -7.506 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.236 -8.121 -5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.758 -7.498 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.968 -8.977 -6.806 1.00 0.00 H new ATOM 84 N GLN A 7 60.179 -3.671 -6.127 1.00 0.00 N ATOM 85 CA GLN A 7 59.758 -2.437 -5.404 1.00 0.00 C ATOM 86 C GLN A 7 58.331 -2.597 -4.877 1.00 0.00 C ATOM 87 O GLN A 7 58.075 -2.470 -3.696 1.00 0.00 O ATOM 88 CB GLN A 7 59.822 -1.321 -6.446 1.00 0.00 C ATOM 89 CG GLN A 7 59.964 0.029 -5.740 1.00 0.00 C ATOM 90 CD GLN A 7 58.773 0.921 -6.096 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.232 1.667 -5.171 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 58.330 0.939 -7.227 1.00 0.00 N flip ATOM 0 H GLN A 7 60.464 -3.531 -7.096 1.00 0.00 H new ATOM 0 HA GLN A 7 60.394 -2.226 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.666 -1.483 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 7 58.921 -1.330 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.013 -0.117 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 7 60.895 0.511 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.753 0.356 -7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.535 1.537 -7.454 1.00 0.00 H new ATOM 101 N ALA A 8 57.397 -2.875 -5.745 1.00 0.00 N ATOM 102 CA ALA A 8 55.985 -3.041 -5.295 1.00 0.00 C ATOM 103 C ALA A 8 55.923 -3.960 -4.071 1.00 0.00 C ATOM 104 O ALA A 8 55.297 -3.645 -3.079 1.00 0.00 O ATOM 105 CB ALA A 8 55.264 -3.680 -6.482 1.00 0.00 C ATOM 0 H ALA A 8 57.550 -2.994 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 8 55.531 -2.094 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.215 -3.835 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.335 -3.022 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.727 -4.639 -6.716 1.00 0.00 H new ATOM 111 N GLU A 9 56.569 -5.092 -4.132 1.00 0.00 N ATOM 112 CA GLU A 9 56.546 -6.027 -2.971 1.00 0.00 C ATOM 113 C GLU A 9 57.570 -5.591 -1.919 1.00 0.00 C ATOM 114 O GLU A 9 57.521 -6.012 -0.780 1.00 0.00 O ATOM 115 CB GLU A 9 56.924 -7.389 -3.554 1.00 0.00 C ATOM 116 CG GLU A 9 55.681 -8.052 -4.150 1.00 0.00 C ATOM 117 CD GLU A 9 55.790 -8.061 -5.676 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.142 -7.033 -6.230 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.519 -9.095 -6.263 1.00 0.00 O ATOM 0 H GLU A 9 57.112 -5.410 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 9 55.574 -6.049 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.688 -7.268 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.350 -8.023 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.584 -9.071 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.785 -7.513 -3.842 1.00 0.00 H new ATOM 126 N ALA A 10 58.496 -4.752 -2.291 1.00 0.00 N ATOM 127 CA ALA A 10 59.521 -4.290 -1.312 1.00 0.00 C ATOM 128 C ALA A 10 58.907 -3.294 -0.327 1.00 0.00 C ATOM 129 O ALA A 10 59.133 -3.365 0.865 1.00 0.00 O ATOM 130 CB ALA A 10 60.594 -3.611 -2.159 1.00 0.00 C ATOM 0 H ALA A 10 58.588 -4.366 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 10 59.924 -5.111 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.389 -3.241 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.008 -4.329 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.153 -2.777 -2.705 1.00 0.00 H new ATOM 136 N ARG A 11 58.126 -2.368 -0.812 1.00 0.00 N ATOM 137 CA ARG A 11 57.497 -1.375 0.113 1.00 0.00 C ATOM 138 C ARG A 11 56.106 -1.851 0.536 1.00 0.00 C ATOM 139 O ARG A 11 55.373 -1.146 1.200 1.00 0.00 O ATOM 140 CB ARG A 11 57.407 -0.041 -0.650 1.00 0.00 C ATOM 141 CG ARG A 11 57.107 -0.266 -2.136 1.00 0.00 C ATOM 142 CD ARG A 11 55.927 -1.228 -2.297 1.00 0.00 C ATOM 143 NE ARG A 11 54.768 -0.528 -1.674 1.00 0.00 N ATOM 144 CZ ARG A 11 54.088 0.347 -2.363 1.00 0.00 C ATOM 145 NH1 ARG A 11 53.194 -0.054 -3.227 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.299 1.623 -2.189 1.00 0.00 N ATOM 0 H ARG A 11 57.896 -2.254 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 11 58.090 -1.258 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.627 0.580 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.345 0.504 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.878 0.685 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 11 57.987 -0.672 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 11 55.737 -1.447 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.124 -2.180 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 11 54.507 -0.733 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 11 53.027 -1.051 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 11 52.662 0.630 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.996 1.937 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.767 2.306 -2.728 1.00 0.00 H new ATOM 160 N ALA A 12 55.742 -3.047 0.165 1.00 0.00 N ATOM 161 CA ALA A 12 54.402 -3.574 0.554 1.00 0.00 C ATOM 162 C ALA A 12 54.511 -4.327 1.882 1.00 0.00 C ATOM 163 O ALA A 12 53.530 -4.556 2.562 1.00 0.00 O ATOM 164 CB ALA A 12 54.005 -4.526 -0.574 1.00 0.00 C ATOM 0 H ALA A 12 56.314 -3.683 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 12 53.665 -2.783 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.026 -4.956 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.963 -3.978 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.743 -5.325 -0.653 1.00 0.00 H new ATOM 170 N PHE A 13 55.702 -4.708 2.255 1.00 0.00 N ATOM 171 CA PHE A 13 55.888 -5.442 3.538 1.00 0.00 C ATOM 172 C PHE A 13 55.649 -4.497 4.720 1.00 0.00 C ATOM 173 O PHE A 13 55.175 -4.899 5.764 1.00 0.00 O ATOM 174 CB PHE A 13 57.345 -5.918 3.506 1.00 0.00 C ATOM 175 CG PHE A 13 57.817 -6.227 4.908 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.094 -7.116 5.713 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.978 -5.621 5.403 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.533 -7.399 7.011 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.418 -5.904 6.701 1.00 0.00 C ATOM 180 CZ PHE A 13 58.696 -6.793 7.507 1.00 0.00 C ATOM 0 H PHE A 13 56.557 -4.542 1.724 1.00 0.00 H new ATOM 0 HA PHE A 13 55.192 -6.273 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.433 -6.806 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.978 -5.150 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.198 -7.583 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.535 -4.934 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 13 56.975 -8.085 7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.314 -5.437 7.081 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.035 -7.011 8.509 1.00 0.00 H new ATOM 190 N LEU A 14 55.974 -3.243 4.563 1.00 0.00 N ATOM 191 CA LEU A 14 55.768 -2.274 5.675 1.00 0.00 C ATOM 192 C LEU A 14 54.541 -1.402 5.398 1.00 0.00 C ATOM 193 O LEU A 14 54.263 -1.043 4.270 1.00 0.00 O ATOM 194 CB LEU A 14 57.039 -1.423 5.698 1.00 0.00 C ATOM 195 CG LEU A 14 58.196 -2.254 6.251 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.423 -1.358 6.441 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.791 -2.855 7.599 1.00 0.00 C ATOM 0 H LEU A 14 56.374 -2.848 3.712 1.00 0.00 H new ATOM 0 HA LEU A 14 55.593 -2.771 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.275 -1.075 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.886 -0.537 6.314 1.00 0.00 H new ATOM 0 HG LEU A 14 58.436 -3.055 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.249 -1.950 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.711 -0.927 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.184 -0.557 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.615 -3.448 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.552 -2.053 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.917 -3.492 7.465 1.00 0.00 H new ATOM 209 N SER A 15 53.804 -1.059 6.419 1.00 0.00 N ATOM 210 CA SER A 15 52.594 -0.212 6.215 1.00 0.00 C ATOM 211 C SER A 15 52.996 1.257 6.062 1.00 0.00 C ATOM 212 O SER A 15 54.135 1.624 6.272 1.00 0.00 O ATOM 213 CB SER A 15 51.756 -0.409 7.478 1.00 0.00 C ATOM 214 OG SER A 15 50.793 -1.428 7.246 1.00 0.00 O ATOM 0 H SER A 15 53.987 -1.328 7.386 1.00 0.00 H new ATOM 0 HA SER A 15 52.045 -0.486 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.398 -0.682 8.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.259 0.523 7.748 1.00 0.00 H new ATOM 0 HG SER A 15 50.254 -1.559 8.054 1.00 0.00 H new ATOM 220 N GLU A 16 52.069 2.099 5.695 1.00 0.00 N ATOM 221 CA GLU A 16 52.396 3.543 5.527 1.00 0.00 C ATOM 222 C GLU A 16 52.971 4.111 6.827 1.00 0.00 C ATOM 223 O GLU A 16 53.578 5.164 6.841 1.00 0.00 O ATOM 224 CB GLU A 16 51.061 4.208 5.193 1.00 0.00 C ATOM 225 CG GLU A 16 51.277 5.705 4.968 1.00 0.00 C ATOM 226 CD GLU A 16 51.270 6.002 3.468 1.00 0.00 C ATOM 227 OE1 GLU A 16 50.211 5.900 2.870 1.00 0.00 O ATOM 228 OE2 GLU A 16 52.321 6.325 2.943 1.00 0.00 O ATOM 0 H GLU A 16 51.099 1.849 5.504 1.00 0.00 H new ATOM 0 HA GLU A 16 53.144 3.713 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.630 3.754 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.351 4.051 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.493 6.275 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.225 6.016 5.407 1.00 0.00 H new ATOM 235 N GLU A 17 52.787 3.421 7.919 1.00 0.00 N ATOM 236 CA GLU A 17 53.323 3.920 9.218 1.00 0.00 C ATOM 237 C GLU A 17 54.853 3.855 9.218 1.00 0.00 C ATOM 238 O GLU A 17 55.527 4.865 9.268 1.00 0.00 O ATOM 239 CB GLU A 17 52.746 2.976 10.273 1.00 0.00 C ATOM 240 CG GLU A 17 52.340 3.779 11.511 1.00 0.00 C ATOM 241 CD GLU A 17 51.478 2.907 12.425 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.297 2.777 12.145 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.012 2.385 13.390 1.00 0.00 O ATOM 0 H GLU A 17 52.288 2.533 7.968 1.00 0.00 H new ATOM 0 HA GLU A 17 53.049 4.958 9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.882 2.448 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.484 2.221 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.228 4.117 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.787 4.670 11.214 1.00 0.00 H new ATOM 250 N MET A 18 55.407 2.675 9.162 1.00 0.00 N ATOM 251 CA MET A 18 56.893 2.548 9.160 1.00 0.00 C ATOM 252 C MET A 18 57.476 3.191 7.899 1.00 0.00 C ATOM 253 O MET A 18 58.454 3.910 7.954 1.00 0.00 O ATOM 254 CB MET A 18 57.165 1.044 9.170 1.00 0.00 C ATOM 255 CG MET A 18 58.674 0.799 9.198 1.00 0.00 C ATOM 256 SD MET A 18 59.032 -0.635 10.242 1.00 0.00 S ATOM 257 CE MET A 18 58.987 0.224 11.834 1.00 0.00 C ATOM 0 H MET A 18 54.896 1.793 9.118 1.00 0.00 H new ATOM 0 HA MET A 18 57.351 3.049 10.013 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.695 0.584 10.039 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.727 0.578 8.287 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.044 0.628 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.189 1.680 9.582 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.186 -0.486 12.636 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.745 1.007 11.846 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.003 0.669 11.980 1.00 0.00 H new ATOM 267 N ILE A 19 56.883 2.940 6.765 1.00 0.00 N ATOM 268 CA ILE A 19 57.406 3.541 5.504 1.00 0.00 C ATOM 269 C ILE A 19 57.716 5.024 5.719 1.00 0.00 C ATOM 270 O ILE A 19 58.697 5.542 5.224 1.00 0.00 O ATOM 271 CB ILE A 19 56.278 3.368 4.486 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.229 1.911 4.025 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.534 4.274 3.281 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.868 1.621 3.388 1.00 0.00 C ATOM 0 H ILE A 19 56.061 2.346 6.656 1.00 0.00 H new ATOM 0 HA ILE A 19 58.330 3.068 5.170 1.00 0.00 H new ATOM 0 HB ILE A 19 55.328 3.637 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.026 1.719 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.395 1.245 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.730 4.150 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.571 5.313 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.484 4.005 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.834 0.582 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.079 1.796 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.720 2.278 2.531 1.00 0.00 H new ATOM 286 N ALA A 20 56.888 5.709 6.459 1.00 0.00 N ATOM 287 CA ALA A 20 57.135 7.159 6.709 1.00 0.00 C ATOM 288 C ALA A 20 58.347 7.333 7.628 1.00 0.00 C ATOM 289 O ALA A 20 58.933 8.395 7.704 1.00 0.00 O ATOM 290 CB ALA A 20 55.865 7.664 7.393 1.00 0.00 C ATOM 0 H ALA A 20 56.051 5.328 6.901 1.00 0.00 H new ATOM 0 HA ALA A 20 57.348 7.709 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.967 8.727 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.011 7.509 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.710 7.116 8.323 1.00 0.00 H new ATOM 296 N GLU A 21 58.728 6.298 8.327 1.00 0.00 N ATOM 297 CA GLU A 21 59.901 6.404 9.240 1.00 0.00 C ATOM 298 C GLU A 21 61.202 6.397 8.432 1.00 0.00 C ATOM 299 O GLU A 21 61.976 7.333 8.476 1.00 0.00 O ATOM 300 CB GLU A 21 59.819 5.167 10.134 1.00 0.00 C ATOM 301 CG GLU A 21 60.988 5.169 11.122 1.00 0.00 C ATOM 302 CD GLU A 21 60.525 4.595 12.462 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.517 3.382 12.593 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.186 5.378 13.334 1.00 0.00 O ATOM 0 H GLU A 21 58.277 5.383 8.305 1.00 0.00 H new ATOM 0 HA GLU A 21 59.892 7.327 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.873 5.159 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.846 4.263 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.813 4.577 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.361 6.184 11.259 1.00 0.00 H new ATOM 311 N PHE A 22 61.447 5.349 7.694 1.00 0.00 N ATOM 312 CA PHE A 22 62.697 5.282 6.884 1.00 0.00 C ATOM 313 C PHE A 22 62.843 6.545 6.032 1.00 0.00 C ATOM 314 O PHE A 22 63.921 7.089 5.888 1.00 0.00 O ATOM 315 CB PHE A 22 62.527 4.049 5.991 1.00 0.00 C ATOM 316 CG PHE A 22 62.360 2.804 6.838 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.456 2.874 8.236 1.00 0.00 C ATOM 318 CD2 PHE A 22 62.107 1.572 6.219 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.300 1.716 9.009 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.952 0.415 6.992 1.00 0.00 C ATOM 321 CZ PHE A 22 62.048 0.487 8.387 1.00 0.00 C ATOM 0 H PHE A 22 60.836 4.536 7.617 1.00 0.00 H new ATOM 0 HA PHE A 22 63.589 5.214 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.658 4.177 5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.395 3.941 5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.650 3.821 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 22 62.031 1.515 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.374 1.771 10.085 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.758 -0.533 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.928 -0.405 8.983 1.00 0.00 H new ATOM 331 N LYS A 23 61.767 7.016 5.463 1.00 0.00 N ATOM 332 CA LYS A 23 61.844 8.242 4.617 1.00 0.00 C ATOM 333 C LYS A 23 62.695 9.311 5.308 1.00 0.00 C ATOM 334 O LYS A 23 63.780 9.635 4.865 1.00 0.00 O ATOM 335 CB LYS A 23 60.397 8.718 4.478 1.00 0.00 C ATOM 336 CG LYS A 23 60.262 9.572 3.217 1.00 0.00 C ATOM 337 CD LYS A 23 60.329 8.671 1.983 1.00 0.00 C ATOM 338 CE LYS A 23 59.826 9.440 0.759 1.00 0.00 C ATOM 339 NZ LYS A 23 58.343 9.459 0.899 1.00 0.00 N ATOM 0 H LYS A 23 60.837 6.605 5.547 1.00 0.00 H new ATOM 0 HA LYS A 23 62.305 8.046 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.725 7.862 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.107 9.297 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.318 10.116 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.058 10.316 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.353 8.337 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.723 7.778 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 23 60.233 10.451 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.129 8.951 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.906 9.146 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.059 8.819 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.027 10.425 1.118 1.00 0.00 H new ATOM 353 N ALA A 24 62.213 9.861 6.388 1.00 0.00 N ATOM 354 CA ALA A 24 62.995 10.909 7.104 1.00 0.00 C ATOM 355 C ALA A 24 64.433 10.434 7.333 1.00 0.00 C ATOM 356 O ALA A 24 65.371 11.200 7.239 1.00 0.00 O ATOM 357 CB ALA A 24 62.274 11.098 8.439 1.00 0.00 C ATOM 0 H ALA A 24 61.312 9.630 6.806 1.00 0.00 H new ATOM 0 HA ALA A 24 63.055 11.838 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.790 11.857 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.248 11.417 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.269 10.156 8.987 1.00 0.00 H new ATOM 363 N ALA A 25 64.613 9.177 7.629 1.00 0.00 N ATOM 364 CA ALA A 25 65.991 8.656 7.861 1.00 0.00 C ATOM 365 C ALA A 25 66.753 8.574 6.537 1.00 0.00 C ATOM 366 O ALA A 25 67.896 8.974 6.439 1.00 0.00 O ATOM 367 CB ALA A 25 65.793 7.261 8.454 1.00 0.00 C ATOM 0 H ALA A 25 63.867 8.488 7.720 1.00 0.00 H new ATOM 0 HA ALA A 25 66.571 9.300 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.765 6.809 8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.230 7.338 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.242 6.640 7.747 1.00 0.00 H new ATOM 373 N PHE A 26 66.127 8.057 5.515 1.00 0.00 N ATOM 374 CA PHE A 26 66.812 7.949 4.195 1.00 0.00 C ATOM 375 C PHE A 26 67.218 9.340 3.695 1.00 0.00 C ATOM 376 O PHE A 26 68.320 9.545 3.228 1.00 0.00 O ATOM 377 CB PHE A 26 65.771 7.319 3.265 1.00 0.00 C ATOM 378 CG PHE A 26 66.158 7.561 1.825 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.775 8.749 1.189 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.900 6.601 1.128 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.133 8.975 -0.143 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.260 6.828 -0.206 1.00 0.00 C ATOM 383 CZ PHE A 26 66.875 8.015 -0.841 1.00 0.00 C ATOM 0 H PHE A 26 65.170 7.704 5.537 1.00 0.00 H new ATOM 0 HA PHE A 26 67.725 7.355 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.699 6.248 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.788 7.745 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.203 9.490 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.195 5.685 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 26 65.837 9.890 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.834 6.088 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.151 8.190 -1.870 1.00 0.00 H new ATOM 393 N ASP A 27 66.333 10.294 3.789 1.00 0.00 N ATOM 394 CA ASP A 27 66.664 11.671 3.319 1.00 0.00 C ATOM 395 C ASP A 27 67.946 12.171 3.992 1.00 0.00 C ATOM 396 O ASP A 27 68.568 13.113 3.542 1.00 0.00 O ATOM 397 CB ASP A 27 65.471 12.528 3.742 1.00 0.00 C ATOM 398 CG ASP A 27 65.834 14.008 3.616 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.929 14.481 2.495 1.00 0.00 O ATOM 400 OD2 ASP A 27 66.014 14.645 4.641 1.00 0.00 O ATOM 0 H ASP A 27 65.394 10.180 4.171 1.00 0.00 H new ATOM 0 HA ASP A 27 66.837 11.708 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.607 12.300 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.191 12.298 4.770 1.00 0.00 H new ATOM 405 N MET A 28 68.343 11.552 5.070 1.00 0.00 N ATOM 406 CA MET A 28 69.580 11.996 5.776 1.00 0.00 C ATOM 407 C MET A 28 70.757 12.085 4.798 1.00 0.00 C ATOM 408 O MET A 28 71.716 12.791 5.034 1.00 0.00 O ATOM 409 CB MET A 28 69.840 10.922 6.832 1.00 0.00 C ATOM 410 CG MET A 28 68.738 10.970 7.892 1.00 0.00 C ATOM 411 SD MET A 28 69.222 12.107 9.216 1.00 0.00 S ATOM 412 CE MET A 28 69.771 10.855 10.402 1.00 0.00 C ATOM 0 H MET A 28 67.864 10.757 5.493 1.00 0.00 H new ATOM 0 HA MET A 28 69.466 12.986 6.218 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.867 9.937 6.365 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.813 11.082 7.296 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.800 11.297 7.442 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.566 9.973 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 28 70.119 11.344 11.312 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.940 10.191 10.641 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.585 10.275 9.968 1.00 0.00 H new ATOM 422 N PHE A 29 70.698 11.372 3.705 1.00 0.00 N ATOM 423 CA PHE A 29 71.825 11.423 2.725 1.00 0.00 C ATOM 424 C PHE A 29 71.299 11.793 1.334 1.00 0.00 C ATOM 425 O PHE A 29 71.706 11.230 0.337 1.00 0.00 O ATOM 426 CB PHE A 29 72.428 10.012 2.703 1.00 0.00 C ATOM 427 CG PHE A 29 72.355 9.389 4.079 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.211 8.681 4.461 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.428 9.520 4.968 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.137 8.103 5.733 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.355 8.942 6.242 1.00 0.00 C ATOM 432 CZ PHE A 29 72.210 8.233 6.624 1.00 0.00 C ATOM 0 H PHE A 29 69.924 10.760 3.448 1.00 0.00 H new ATOM 0 HA PHE A 29 72.566 12.172 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.891 9.391 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.465 10.057 2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.384 8.580 3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.311 10.066 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.253 7.557 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.182 9.043 6.929 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.154 7.786 7.606 1.00 0.00 H new ATOM 442 N ASP A 30 70.399 12.734 1.259 1.00 0.00 N ATOM 443 CA ASP A 30 69.850 13.134 -0.068 1.00 0.00 C ATOM 444 C ASP A 30 70.946 13.772 -0.925 1.00 0.00 C ATOM 445 O ASP A 30 71.112 14.975 -0.945 1.00 0.00 O ATOM 446 CB ASP A 30 68.754 14.153 0.245 1.00 0.00 C ATOM 447 CG ASP A 30 69.354 15.327 1.019 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.508 15.229 1.405 1.00 0.00 O ATOM 449 OD2 ASP A 30 68.651 16.306 1.212 1.00 0.00 O ATOM 0 H ASP A 30 70.020 13.243 2.058 1.00 0.00 H new ATOM 0 HA ASP A 30 69.466 12.281 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.298 14.508 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.963 13.684 0.830 1.00 0.00 H new ATOM 490 N GLY A 35 65.312 11.608 -4.296 1.00 0.00 N ATOM 491 CA GLY A 35 64.848 10.327 -3.689 1.00 0.00 C ATOM 492 C GLY A 35 65.934 9.260 -3.847 1.00 0.00 C ATOM 493 O GLY A 35 65.648 8.098 -4.055 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.620 10.475 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.927 9.997 -4.171 1.00 0.00 H new ATOM 497 N ASP A 36 67.177 9.644 -3.751 1.00 0.00 N ATOM 498 CA ASP A 36 68.279 8.648 -3.896 1.00 0.00 C ATOM 499 C ASP A 36 69.566 9.184 -3.263 1.00 0.00 C ATOM 500 O ASP A 36 69.971 10.302 -3.509 1.00 0.00 O ATOM 501 CB ASP A 36 68.455 8.470 -5.404 1.00 0.00 C ATOM 502 CG ASP A 36 69.047 9.747 -6.003 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.285 10.662 -6.266 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.253 9.788 -6.189 1.00 0.00 O ATOM 0 H ASP A 36 67.478 10.603 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 36 68.052 7.705 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.110 7.623 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.494 8.249 -5.869 1.00 0.00 H new ATOM 509 N ILE A 37 70.213 8.393 -2.450 1.00 0.00 N ATOM 510 CA ILE A 37 71.475 8.856 -1.805 1.00 0.00 C ATOM 511 C ILE A 37 72.680 8.149 -2.434 1.00 0.00 C ATOM 512 O ILE A 37 72.533 7.241 -3.228 1.00 0.00 O ATOM 513 CB ILE A 37 71.336 8.471 -0.333 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.333 6.946 -0.203 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.027 9.033 0.223 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.134 6.558 1.263 1.00 0.00 C ATOM 0 H ILE A 37 69.922 7.447 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 37 71.633 9.927 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 37 72.174 8.883 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.537 6.520 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.273 6.537 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.930 8.757 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.029 10.119 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.188 8.624 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.132 5.472 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.945 6.971 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.183 6.954 1.618 1.00 0.00 H new ATOM 528 N SER A 38 73.870 8.558 -2.086 1.00 0.00 N ATOM 529 CA SER A 38 75.081 7.908 -2.664 1.00 0.00 C ATOM 530 C SER A 38 75.060 6.403 -2.381 1.00 0.00 C ATOM 531 O SER A 38 74.917 5.974 -1.253 1.00 0.00 O ATOM 532 CB SER A 38 76.261 8.571 -1.954 1.00 0.00 C ATOM 533 OG SER A 38 76.741 9.647 -2.749 1.00 0.00 O ATOM 0 H SER A 38 74.056 9.314 -1.427 1.00 0.00 H new ATOM 0 HA SER A 38 75.137 8.026 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.953 8.936 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.056 7.844 -1.787 1.00 0.00 H new ATOM 0 HG SER A 38 77.497 10.076 -2.296 1.00 0.00 H new ATOM 539 N THR A 39 75.201 5.598 -3.399 1.00 0.00 N ATOM 540 CA THR A 39 75.189 4.122 -3.189 1.00 0.00 C ATOM 541 C THR A 39 76.054 3.752 -1.980 1.00 0.00 C ATOM 542 O THR A 39 75.807 2.774 -1.304 1.00 0.00 O ATOM 543 CB THR A 39 75.778 3.534 -4.471 1.00 0.00 C ATOM 544 OG1 THR A 39 76.896 4.311 -4.876 1.00 0.00 O ATOM 545 CG2 THR A 39 74.719 3.545 -5.574 1.00 0.00 C ATOM 0 H THR A 39 75.324 5.898 -4.366 1.00 0.00 H new ATOM 0 HA THR A 39 74.187 3.742 -2.990 1.00 0.00 H new ATOM 0 HB THR A 39 76.096 2.508 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.459 3.784 -5.481 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.141 3.125 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.862 2.948 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.398 4.570 -5.760 1.00 0.00 H new ATOM 553 N LYS A 40 77.066 4.528 -1.704 1.00 0.00 N ATOM 554 CA LYS A 40 77.944 4.219 -0.539 1.00 0.00 C ATOM 555 C LYS A 40 77.162 4.389 0.766 1.00 0.00 C ATOM 556 O LYS A 40 77.593 3.968 1.820 1.00 0.00 O ATOM 557 CB LYS A 40 79.081 5.237 -0.619 1.00 0.00 C ATOM 558 CG LYS A 40 80.423 4.505 -0.581 1.00 0.00 C ATOM 559 CD LYS A 40 80.802 4.057 -1.994 1.00 0.00 C ATOM 560 CE LYS A 40 81.762 5.075 -2.613 1.00 0.00 C ATOM 561 NZ LYS A 40 81.187 5.378 -3.953 1.00 0.00 N ATOM 0 H LYS A 40 77.323 5.361 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 40 78.314 3.194 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.998 5.820 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.014 5.939 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.195 5.160 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.359 3.641 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.270 3.073 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 40 79.907 3.964 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.833 5.974 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.769 4.667 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 81.790 6.071 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.138 4.504 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 80.231 5.771 -3.840 1.00 0.00 H new ATOM 575 N GLU A 41 76.015 5.006 0.700 1.00 0.00 N ATOM 576 CA GLU A 41 75.203 5.204 1.934 1.00 0.00 C ATOM 577 C GLU A 41 74.236 4.032 2.124 1.00 0.00 C ATOM 578 O GLU A 41 73.705 3.820 3.197 1.00 0.00 O ATOM 579 CB GLU A 41 74.431 6.502 1.691 1.00 0.00 C ATOM 580 CG GLU A 41 74.947 7.588 2.636 1.00 0.00 C ATOM 581 CD GLU A 41 76.474 7.645 2.564 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.003 7.460 1.481 1.00 0.00 O ATOM 583 OE2 GLU A 41 77.087 7.872 3.594 1.00 0.00 O ATOM 0 H GLU A 41 75.605 5.382 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 41 75.819 5.256 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.550 6.820 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.366 6.340 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.523 8.554 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.628 7.378 3.657 1.00 0.00 H new ATOM 590 N LEU A 42 74.004 3.269 1.091 1.00 0.00 N ATOM 591 CA LEU A 42 73.071 2.111 1.215 1.00 0.00 C ATOM 592 C LEU A 42 73.359 1.337 2.502 1.00 0.00 C ATOM 593 O LEU A 42 72.496 0.681 3.050 1.00 0.00 O ATOM 594 CB LEU A 42 73.356 1.240 -0.010 1.00 0.00 C ATOM 595 CG LEU A 42 72.048 0.636 -0.522 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.515 1.480 -1.681 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.303 -0.793 -1.009 1.00 0.00 C ATOM 0 H LEU A 42 74.419 3.396 0.168 1.00 0.00 H new ATOM 0 HA LEU A 42 72.028 2.423 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.824 1.837 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.058 0.447 0.249 1.00 0.00 H new ATOM 0 HG LEU A 42 71.315 0.621 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.583 1.049 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.334 2.498 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.248 1.495 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.371 -1.225 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.036 -0.777 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.683 -1.396 -0.184 1.00 0.00 H new ATOM 609 N GLY A 43 74.567 1.409 2.991 1.00 0.00 N ATOM 610 CA GLY A 43 74.908 0.678 4.243 1.00 0.00 C ATOM 611 C GLY A 43 74.371 1.454 5.447 1.00 0.00 C ATOM 612 O GLY A 43 73.785 0.891 6.350 1.00 0.00 O ATOM 0 H GLY A 43 75.332 1.942 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.478 -0.323 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.988 0.560 4.325 1.00 0.00 H new ATOM 616 N THR A 44 74.567 2.744 5.466 1.00 0.00 N ATOM 617 CA THR A 44 74.069 3.558 6.612 1.00 0.00 C ATOM 618 C THR A 44 72.548 3.730 6.521 1.00 0.00 C ATOM 619 O THR A 44 71.839 3.573 7.494 1.00 0.00 O ATOM 620 CB THR A 44 74.771 4.910 6.472 1.00 0.00 C ATOM 621 OG1 THR A 44 76.123 4.785 6.892 1.00 0.00 O ATOM 622 CG2 THR A 44 74.060 5.949 7.339 1.00 0.00 C ATOM 0 H THR A 44 75.050 3.270 4.738 1.00 0.00 H new ATOM 0 HA THR A 44 74.277 3.088 7.573 1.00 0.00 H new ATOM 0 HB THR A 44 74.741 5.229 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.575 5.650 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.561 6.912 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.023 6.044 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.088 5.633 8.382 1.00 0.00 H new ATOM 630 N VAL A 45 72.046 4.054 5.361 1.00 0.00 N ATOM 631 CA VAL A 45 70.573 4.241 5.210 1.00 0.00 C ATOM 632 C VAL A 45 69.820 3.076 5.858 1.00 0.00 C ATOM 633 O VAL A 45 68.770 3.253 6.444 1.00 0.00 O ATOM 634 CB VAL A 45 70.329 4.268 3.701 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.542 2.869 3.122 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.892 4.718 3.426 1.00 0.00 C ATOM 0 H VAL A 45 72.591 4.198 4.511 1.00 0.00 H new ATOM 0 HA VAL A 45 70.221 5.152 5.695 1.00 0.00 H new ATOM 0 HB VAL A 45 71.026 4.964 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.368 2.890 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.565 2.546 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.846 2.172 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.716 4.738 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.197 4.021 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.738 5.716 3.837 1.00 0.00 H new ATOM 646 N MET A 46 70.345 1.885 5.758 1.00 0.00 N ATOM 647 CA MET A 46 69.656 0.714 6.371 1.00 0.00 C ATOM 648 C MET A 46 69.945 0.662 7.874 1.00 0.00 C ATOM 649 O MET A 46 69.064 0.837 8.692 1.00 0.00 O ATOM 650 CB MET A 46 70.245 -0.508 5.665 1.00 0.00 C ATOM 651 CG MET A 46 69.630 -0.636 4.270 1.00 0.00 C ATOM 652 SD MET A 46 70.764 -1.545 3.191 1.00 0.00 S ATOM 653 CE MET A 46 70.059 -3.190 3.460 1.00 0.00 C ATOM 0 H MET A 46 71.220 1.673 5.279 1.00 0.00 H new ATOM 0 HA MET A 46 68.573 0.764 6.258 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.328 -0.411 5.589 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.046 -1.408 6.246 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.673 -1.155 4.329 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.432 0.353 3.856 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.740 -3.782 4.071 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.101 -3.096 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.910 -3.684 2.500 1.00 0.00 H new ATOM 663 N ARG A 47 71.174 0.426 8.241 1.00 0.00 N ATOM 664 CA ARG A 47 71.524 0.366 9.691 1.00 0.00 C ATOM 665 C ARG A 47 70.848 1.512 10.450 1.00 0.00 C ATOM 666 O ARG A 47 70.535 1.394 11.618 1.00 0.00 O ATOM 667 CB ARG A 47 73.044 0.515 9.735 1.00 0.00 C ATOM 668 CG ARG A 47 73.696 -0.866 9.647 1.00 0.00 C ATOM 669 CD ARG A 47 74.861 -0.944 10.634 1.00 0.00 C ATOM 670 NE ARG A 47 76.074 -1.095 9.784 1.00 0.00 N ATOM 671 CZ ARG A 47 77.232 -0.684 10.222 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.318 0.428 10.900 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.306 -1.386 9.981 1.00 0.00 N ATOM 0 H ARG A 47 71.953 0.272 7.600 1.00 0.00 H new ATOM 0 HA ARG A 47 71.190 -0.560 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.382 1.142 8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.345 1.012 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 47 72.963 -1.641 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.052 -1.048 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.919 -0.046 11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.747 -1.789 11.314 1.00 0.00 H new ATOM 0 HE ARG A 47 76.000 -1.520 8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.479 0.977 11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.224 0.748 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.239 -2.255 9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.212 -1.066 10.323 1.00 0.00 H new ATOM 687 N MET A 48 70.622 2.618 9.795 1.00 0.00 N ATOM 688 CA MET A 48 69.965 3.769 10.481 1.00 0.00 C ATOM 689 C MET A 48 68.455 3.531 10.604 1.00 0.00 C ATOM 690 O MET A 48 67.715 4.406 11.009 1.00 0.00 O ATOM 691 CB MET A 48 70.247 4.976 9.585 1.00 0.00 C ATOM 692 CG MET A 48 71.515 5.684 10.067 1.00 0.00 C ATOM 693 SD MET A 48 71.062 7.099 11.099 1.00 0.00 S ATOM 694 CE MET A 48 71.314 6.300 12.703 1.00 0.00 C ATOM 0 H MET A 48 70.863 2.775 8.816 1.00 0.00 H new ATOM 0 HA MET A 48 70.343 3.913 11.493 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.368 4.654 8.551 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.402 5.664 9.608 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.138 4.992 10.634 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.105 6.017 9.213 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.439 7.061 13.473 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.449 5.681 12.941 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.206 5.676 12.662 1.00 0.00 H new ATOM 704 N LEU A 49 67.990 2.361 10.257 1.00 0.00 N ATOM 705 CA LEU A 49 66.527 2.083 10.358 1.00 0.00 C ATOM 706 C LEU A 49 66.266 0.911 11.310 1.00 0.00 C ATOM 707 O LEU A 49 65.323 0.923 12.075 1.00 0.00 O ATOM 708 CB LEU A 49 66.093 1.727 8.936 1.00 0.00 C ATOM 709 CG LEU A 49 66.490 2.855 7.983 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.292 2.395 6.538 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.614 4.081 8.251 1.00 0.00 C ATOM 0 H LEU A 49 68.557 1.588 9.909 1.00 0.00 H new ATOM 0 HA LEU A 49 65.975 2.935 10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.560 0.793 8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.015 1.571 8.902 1.00 0.00 H new ATOM 0 HG LEU A 49 67.537 3.113 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.575 3.199 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.915 1.521 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.245 2.137 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.897 4.885 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.567 3.822 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.753 4.410 9.281 1.00 0.00 H new ATOM 723 N GLY A 50 67.091 -0.101 11.270 1.00 0.00 N ATOM 724 CA GLY A 50 66.878 -1.266 12.179 1.00 0.00 C ATOM 725 C GLY A 50 67.531 -2.516 11.589 1.00 0.00 C ATOM 726 O GLY A 50 67.790 -3.480 12.283 1.00 0.00 O ATOM 0 H GLY A 50 67.899 -0.172 10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.301 -1.054 13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.811 -1.436 12.322 1.00 0.00 H new ATOM 730 N GLN A 51 67.804 -2.508 10.315 1.00 0.00 N ATOM 731 CA GLN A 51 68.447 -3.700 9.683 1.00 0.00 C ATOM 732 C GLN A 51 69.966 -3.519 9.649 1.00 0.00 C ATOM 733 O GLN A 51 70.490 -2.527 10.114 1.00 0.00 O ATOM 734 CB GLN A 51 67.878 -3.789 8.258 1.00 0.00 C ATOM 735 CG GLN A 51 67.744 -2.393 7.646 1.00 0.00 C ATOM 736 CD GLN A 51 66.313 -1.886 7.843 1.00 0.00 C ATOM 737 OE1 GLN A 51 65.942 -1.486 8.929 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.488 -1.886 6.833 1.00 0.00 N ATOM 0 H GLN A 51 67.612 -1.731 9.683 1.00 0.00 H new ATOM 0 HA GLN A 51 68.242 -4.613 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.530 -4.403 7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 51 66.904 -4.278 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.452 -1.709 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.987 -2.425 6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.798 -2.221 5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 51 64.533 -1.551 6.955 1.00 0.00 H new ATOM 747 N ASN A 52 70.680 -4.469 9.111 1.00 0.00 N ATOM 748 CA ASN A 52 72.166 -4.342 9.061 1.00 0.00 C ATOM 749 C ASN A 52 72.746 -5.275 7.995 1.00 0.00 C ATOM 750 O ASN A 52 72.951 -6.447 8.239 1.00 0.00 O ATOM 751 CB ASN A 52 72.645 -4.755 10.453 1.00 0.00 C ATOM 752 CG ASN A 52 74.135 -4.440 10.592 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.883 -4.547 9.640 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.604 -4.055 11.748 1.00 0.00 N ATOM 0 H ASN A 52 70.302 -5.325 8.705 1.00 0.00 H new ATOM 0 HA ASN A 52 72.484 -3.332 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.077 -4.224 11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.471 -5.820 10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.597 -3.845 11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.978 -3.965 12.548 1.00 0.00 H new ATOM 761 N PRO A 53 72.995 -4.714 6.845 1.00 0.00 N ATOM 762 CA PRO A 53 73.563 -5.497 5.722 1.00 0.00 C ATOM 763 C PRO A 53 75.051 -5.769 5.967 1.00 0.00 C ATOM 764 O PRO A 53 75.737 -4.990 6.599 1.00 0.00 O ATOM 765 CB PRO A 53 73.370 -4.582 4.516 1.00 0.00 C ATOM 766 CG PRO A 53 73.309 -3.198 5.081 1.00 0.00 C ATOM 767 CD PRO A 53 72.769 -3.310 6.484 1.00 0.00 C ATOM 0 HA PRO A 53 73.090 -6.471 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.193 -4.683 3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.455 -4.828 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.298 -2.741 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.667 -2.562 4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.287 -2.635 7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.710 -3.054 6.525 1.00 0.00 H new ATOM 775 N THR A 54 75.555 -6.867 5.473 1.00 0.00 N ATOM 776 CA THR A 54 76.999 -7.181 5.682 1.00 0.00 C ATOM 777 C THR A 54 77.860 -6.388 4.694 1.00 0.00 C ATOM 778 O THR A 54 77.503 -6.216 3.545 1.00 0.00 O ATOM 779 CB THR A 54 77.121 -8.682 5.416 1.00 0.00 C ATOM 780 OG1 THR A 54 76.667 -8.968 4.100 1.00 0.00 O ATOM 781 CG2 THR A 54 76.272 -9.453 6.429 1.00 0.00 C ATOM 0 H THR A 54 75.032 -7.559 4.935 1.00 0.00 H new ATOM 0 HA THR A 54 77.339 -6.916 6.683 1.00 0.00 H new ATOM 0 HB THR A 54 78.164 -8.984 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.747 -9.930 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.360 -10.523 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.622 -9.234 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.229 -9.152 6.333 1.00 0.00 H new ATOM 789 N LYS A 55 78.990 -5.904 5.131 1.00 0.00 N ATOM 790 CA LYS A 55 79.871 -5.123 4.215 1.00 0.00 C ATOM 791 C LYS A 55 79.938 -5.801 2.845 1.00 0.00 C ATOM 792 O LYS A 55 79.902 -5.154 1.818 1.00 0.00 O ATOM 793 CB LYS A 55 81.245 -5.127 4.884 1.00 0.00 C ATOM 794 CG LYS A 55 82.079 -3.963 4.344 1.00 0.00 C ATOM 795 CD LYS A 55 83.504 -4.056 4.892 1.00 0.00 C ATOM 796 CE LYS A 55 83.930 -2.692 5.441 1.00 0.00 C ATOM 797 NZ LYS A 55 83.717 -2.777 6.916 1.00 0.00 N ATOM 0 H LYS A 55 79.342 -6.015 6.082 1.00 0.00 H new ATOM 0 HA LYS A 55 79.503 -4.110 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.135 -5.039 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.752 -6.072 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.095 -3.989 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.628 -3.014 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.554 -4.808 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 55 84.188 -4.373 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.973 -2.482 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.337 -1.889 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.989 -1.876 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.714 -2.970 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.300 -3.544 7.307 1.00 0.00 H new ATOM 811 N GLU A 56 80.034 -7.103 2.823 1.00 0.00 N ATOM 812 CA GLU A 56 80.100 -7.824 1.519 1.00 0.00 C ATOM 813 C GLU A 56 78.828 -7.564 0.710 1.00 0.00 C ATOM 814 O GLU A 56 78.874 -7.047 -0.388 1.00 0.00 O ATOM 815 CB GLU A 56 80.206 -9.303 1.891 1.00 0.00 C ATOM 816 CG GLU A 56 81.115 -10.020 0.890 1.00 0.00 C ATOM 817 CD GLU A 56 80.890 -11.530 0.988 1.00 0.00 C ATOM 818 OE1 GLU A 56 79.881 -11.992 0.482 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.730 -12.198 1.568 1.00 0.00 O ATOM 0 H GLU A 56 80.070 -7.698 3.651 1.00 0.00 H new ATOM 0 HA GLU A 56 80.940 -7.497 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.606 -9.407 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.217 -9.760 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.903 -9.675 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.159 -9.783 1.096 1.00 0.00 H new ATOM 826 N GLU A 57 77.691 -7.915 1.245 1.00 0.00 N ATOM 827 CA GLU A 57 76.418 -7.684 0.506 1.00 0.00 C ATOM 828 C GLU A 57 76.383 -6.255 -0.037 1.00 0.00 C ATOM 829 O GLU A 57 75.911 -6.004 -1.129 1.00 0.00 O ATOM 830 CB GLU A 57 75.315 -7.891 1.543 1.00 0.00 C ATOM 831 CG GLU A 57 74.697 -9.278 1.361 1.00 0.00 C ATOM 832 CD GLU A 57 73.382 -9.152 0.588 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.823 -8.068 0.583 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.959 -10.142 0.016 1.00 0.00 O ATOM 0 H GLU A 57 77.589 -8.351 2.161 1.00 0.00 H new ATOM 0 HA GLU A 57 76.304 -8.354 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.724 -7.792 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.549 -7.123 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.387 -9.928 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.518 -9.739 2.333 1.00 0.00 H new ATOM 841 N LEU A 58 76.883 -5.313 0.716 1.00 0.00 N ATOM 842 CA LEU A 58 76.883 -3.901 0.244 1.00 0.00 C ATOM 843 C LEU A 58 77.571 -3.803 -1.118 1.00 0.00 C ATOM 844 O LEU A 58 76.938 -3.567 -2.129 1.00 0.00 O ATOM 845 CB LEU A 58 77.675 -3.132 1.301 1.00 0.00 C ATOM 846 CG LEU A 58 76.755 -2.131 1.999 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.085 -1.238 0.953 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.682 -2.889 2.783 1.00 0.00 C ATOM 0 H LEU A 58 77.292 -5.462 1.639 1.00 0.00 H new ATOM 0 HA LEU A 58 75.875 -3.504 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.097 -3.824 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.511 -2.610 0.836 1.00 0.00 H new ATOM 0 HG LEU A 58 77.339 -1.515 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.429 -0.524 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 58 76.848 -0.699 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.500 -1.854 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.025 -2.177 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.098 -3.504 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 58 76.158 -3.527 3.528 1.00 0.00 H new ATOM 860 N ASP A 59 78.862 -3.985 -1.155 1.00 0.00 N ATOM 861 CA ASP A 59 79.585 -3.905 -2.457 1.00 0.00 C ATOM 862 C ASP A 59 78.818 -4.686 -3.526 1.00 0.00 C ATOM 863 O ASP A 59 78.858 -4.362 -4.696 1.00 0.00 O ATOM 864 CB ASP A 59 80.949 -4.545 -2.195 1.00 0.00 C ATOM 865 CG ASP A 59 81.945 -3.465 -1.768 1.00 0.00 C ATOM 866 OD1 ASP A 59 82.311 -2.660 -2.608 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.322 -3.461 -0.608 1.00 0.00 O ATOM 0 H ASP A 59 79.447 -4.185 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 59 79.683 -2.881 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.863 -5.304 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.305 -5.049 -3.094 1.00 0.00 H new ATOM 872 N ALA A 60 78.113 -5.712 -3.131 1.00 0.00 N ATOM 873 CA ALA A 60 77.337 -6.511 -4.121 1.00 0.00 C ATOM 874 C ALA A 60 76.083 -5.743 -4.547 1.00 0.00 C ATOM 875 O ALA A 60 75.871 -5.479 -5.713 1.00 0.00 O ATOM 876 CB ALA A 60 76.956 -7.795 -3.383 1.00 0.00 C ATOM 0 H ALA A 60 78.041 -6.031 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 60 77.908 -6.718 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.380 -8.439 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.860 -8.315 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.356 -7.547 -2.508 1.00 0.00 H new ATOM 882 N ILE A 61 75.252 -5.378 -3.608 1.00 0.00 N ATOM 883 CA ILE A 61 74.016 -4.624 -3.961 1.00 0.00 C ATOM 884 C ILE A 61 74.387 -3.292 -4.618 1.00 0.00 C ATOM 885 O ILE A 61 73.800 -2.891 -5.605 1.00 0.00 O ATOM 886 CB ILE A 61 73.301 -4.383 -2.633 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.937 -5.728 -1.999 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.025 -3.577 -2.879 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.337 -5.494 -0.612 1.00 0.00 C ATOM 0 H ILE A 61 75.376 -5.569 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 61 73.387 -5.168 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 61 73.958 -3.829 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 61 72.224 -6.258 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.824 -6.357 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.515 -3.405 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.281 -2.619 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.368 -4.131 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.078 -6.452 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.065 -4.982 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.440 -4.881 -0.702 1.00 0.00 H new ATOM 901 N ILE A 62 75.358 -2.604 -4.081 1.00 0.00 N ATOM 902 CA ILE A 62 75.766 -1.301 -4.680 1.00 0.00 C ATOM 903 C ILE A 62 76.071 -1.485 -6.168 1.00 0.00 C ATOM 904 O ILE A 62 75.341 -1.022 -7.021 1.00 0.00 O ATOM 905 CB ILE A 62 77.027 -0.892 -3.919 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.654 -0.512 -2.484 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.674 0.307 -4.611 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.924 -0.389 -1.641 1.00 0.00 C ATOM 0 H ILE A 62 75.885 -2.887 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 62 74.985 -0.545 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 62 77.730 -1.725 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.108 0.431 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.993 -1.266 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.573 0.599 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.939 0.038 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.972 1.141 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.658 -0.118 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.452 -1.342 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.568 0.382 -2.064 1.00 0.00 H new ATOM 920 N GLU A 63 77.140 -2.166 -6.484 1.00 0.00 N ATOM 921 CA GLU A 63 77.485 -2.385 -7.919 1.00 0.00 C ATOM 922 C GLU A 63 76.223 -2.743 -8.707 1.00 0.00 C ATOM 923 O GLU A 63 76.033 -2.311 -9.827 1.00 0.00 O ATOM 924 CB GLU A 63 78.466 -3.558 -7.913 1.00 0.00 C ATOM 925 CG GLU A 63 79.400 -3.450 -9.120 1.00 0.00 C ATOM 926 CD GLU A 63 80.808 -3.892 -8.718 1.00 0.00 C ATOM 927 OE1 GLU A 63 81.510 -3.092 -8.122 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.160 -5.022 -9.012 1.00 0.00 O ATOM 0 H GLU A 63 77.788 -2.579 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 63 77.915 -1.499 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.046 -3.556 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.921 -4.501 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.031 -4.072 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.420 -2.424 -9.487 1.00 0.00 H new ATOM 935 N GLU A 64 75.357 -3.527 -8.126 1.00 0.00 N ATOM 936 CA GLU A 64 74.102 -3.910 -8.833 1.00 0.00 C ATOM 937 C GLU A 64 73.210 -2.678 -9.010 1.00 0.00 C ATOM 938 O GLU A 64 72.734 -2.393 -10.092 1.00 0.00 O ATOM 939 CB GLU A 64 73.434 -4.941 -7.915 1.00 0.00 C ATOM 940 CG GLU A 64 71.929 -4.996 -8.198 1.00 0.00 C ATOM 941 CD GLU A 64 71.409 -6.409 -7.929 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.632 -6.905 -6.837 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.795 -6.973 -8.821 1.00 0.00 O ATOM 0 H GLU A 64 75.464 -3.920 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 64 74.285 -4.315 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.879 -5.924 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.607 -4.677 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.404 -4.278 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.733 -4.716 -9.233 1.00 0.00 H new ATOM 950 N VAL A 65 72.977 -1.951 -7.954 1.00 0.00 N ATOM 951 CA VAL A 65 72.112 -0.742 -8.058 1.00 0.00 C ATOM 952 C VAL A 65 72.926 0.455 -8.559 1.00 0.00 C ATOM 953 O VAL A 65 72.400 1.530 -8.771 1.00 0.00 O ATOM 954 CB VAL A 65 71.603 -0.498 -6.636 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.995 -1.788 -6.081 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.764 -0.058 -5.740 1.00 0.00 C ATOM 0 H VAL A 65 73.348 -2.141 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 65 71.293 -0.878 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 65 70.844 0.284 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.633 -1.613 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.165 -2.101 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.754 -2.570 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.397 0.115 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.525 -0.838 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.197 0.863 -6.131 1.00 0.00 H new ATOM 966 N ASP A 66 74.205 0.279 -8.751 1.00 0.00 N ATOM 967 CA ASP A 66 75.046 1.409 -9.241 1.00 0.00 C ATOM 968 C ASP A 66 74.798 1.640 -10.734 1.00 0.00 C ATOM 969 O ASP A 66 75.181 2.651 -11.289 1.00 0.00 O ATOM 970 CB ASP A 66 76.491 0.969 -9.001 1.00 0.00 C ATOM 971 CG ASP A 66 77.343 2.186 -8.640 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.252 2.634 -7.509 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.072 2.651 -9.501 1.00 0.00 O ATOM 0 H ASP A 66 74.703 -0.596 -8.590 1.00 0.00 H new ATOM 0 HA ASP A 66 74.817 2.344 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.529 0.234 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.888 0.486 -9.894 1.00 0.00 H new ATOM 1030 N THR A 72 73.733 6.294 -7.608 1.00 0.00 N ATOM 1031 CA THR A 72 72.895 6.414 -6.380 1.00 0.00 C ATOM 1032 C THR A 72 71.753 5.393 -6.419 1.00 0.00 C ATOM 1033 O THR A 72 71.511 4.757 -7.426 1.00 0.00 O ATOM 1034 CB THR A 72 72.343 7.840 -6.416 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.473 7.981 -7.531 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.498 8.834 -6.538 1.00 0.00 C ATOM 0 HA THR A 72 73.463 6.220 -5.470 1.00 0.00 H new ATOM 0 HB THR A 72 71.792 8.040 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.964 8.814 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.103 9.850 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.164 8.725 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.052 8.637 -7.456 1.00 0.00 H new ATOM 1044 N ILE A 73 71.050 5.231 -5.331 1.00 0.00 N ATOM 1045 CA ILE A 73 69.925 4.251 -5.310 1.00 0.00 C ATOM 1046 C ILE A 73 68.585 4.986 -5.228 1.00 0.00 C ATOM 1047 O ILE A 73 68.444 5.964 -4.522 1.00 0.00 O ATOM 1048 CB ILE A 73 70.155 3.412 -4.053 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.971 2.462 -3.850 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.281 4.335 -2.839 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.229 1.154 -4.600 1.00 0.00 C ATOM 0 H ILE A 73 71.205 5.734 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 73 69.895 3.637 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 73 71.071 2.833 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.830 2.262 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.053 2.926 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.445 3.737 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.123 5.012 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.365 4.914 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.386 0.479 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.348 1.362 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.137 0.688 -4.217 1.00 0.00 H new ATOM 1063 N ASP A 74 67.598 4.524 -5.949 1.00 0.00 N ATOM 1064 CA ASP A 74 66.269 5.201 -5.914 1.00 0.00 C ATOM 1065 C ASP A 74 65.461 4.724 -4.704 1.00 0.00 C ATOM 1066 O ASP A 74 65.314 3.541 -4.471 1.00 0.00 O ATOM 1067 CB ASP A 74 65.581 4.784 -7.214 1.00 0.00 C ATOM 1068 CG ASP A 74 65.969 5.756 -8.331 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.874 6.951 -8.108 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.355 5.288 -9.389 1.00 0.00 O ATOM 0 H ASP A 74 67.654 3.709 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 74 66.360 6.284 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.873 3.769 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.499 4.780 -7.080 1.00 0.00 H new ATOM 1075 N PHE A 75 64.932 5.637 -3.933 1.00 0.00 N ATOM 1076 CA PHE A 75 64.132 5.227 -2.743 1.00 0.00 C ATOM 1077 C PHE A 75 63.188 4.083 -3.114 1.00 0.00 C ATOM 1078 O PHE A 75 63.128 3.073 -2.442 1.00 0.00 O ATOM 1079 CB PHE A 75 63.336 6.471 -2.348 1.00 0.00 C ATOM 1080 CG PHE A 75 62.785 6.289 -0.954 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.537 5.682 -0.769 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.522 6.723 0.153 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.026 5.510 0.524 1.00 0.00 C ATOM 1084 CE2 PHE A 75 63.012 6.551 1.447 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.763 5.945 1.631 1.00 0.00 C ATOM 0 H PHE A 75 65.019 6.643 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 75 64.760 4.872 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.975 7.353 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.522 6.636 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.968 5.346 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.485 7.191 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.063 5.042 0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.582 6.885 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.368 5.813 2.628 1.00 0.00 H new ATOM 1095 N GLU A 76 62.456 4.230 -4.183 1.00 0.00 N ATOM 1096 CA GLU A 76 61.523 3.145 -4.598 1.00 0.00 C ATOM 1097 C GLU A 76 62.285 1.824 -4.700 1.00 0.00 C ATOM 1098 O GLU A 76 61.870 0.813 -4.169 1.00 0.00 O ATOM 1099 CB GLU A 76 61.002 3.574 -5.970 1.00 0.00 C ATOM 1100 CG GLU A 76 59.670 4.308 -5.807 1.00 0.00 C ATOM 1101 CD GLU A 76 59.015 4.490 -7.177 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.599 5.168 -8.005 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.940 3.947 -7.374 1.00 0.00 O ATOM 0 H GLU A 76 62.463 5.052 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 76 60.710 2.995 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.729 4.223 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.872 2.701 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.010 3.743 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.833 5.279 -5.338 1.00 0.00 H new ATOM 1110 N GLU A 77 63.405 1.828 -5.369 1.00 0.00 N ATOM 1111 CA GLU A 77 64.202 0.577 -5.495 1.00 0.00 C ATOM 1112 C GLU A 77 64.912 0.282 -4.172 1.00 0.00 C ATOM 1113 O GLU A 77 65.071 -0.857 -3.779 1.00 0.00 O ATOM 1114 CB GLU A 77 65.218 0.864 -6.600 1.00 0.00 C ATOM 1115 CG GLU A 77 65.733 -0.456 -7.177 1.00 0.00 C ATOM 1116 CD GLU A 77 65.211 -0.626 -8.604 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.127 -1.164 -8.758 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.904 -0.216 -9.520 1.00 0.00 O ATOM 0 H GLU A 77 63.802 2.644 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 77 63.586 -0.291 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.757 1.461 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 77 66.048 1.448 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.823 -0.466 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.404 -1.290 -6.556 1.00 0.00 H new ATOM 1125 N PHE A 78 65.336 1.305 -3.480 1.00 0.00 N ATOM 1126 CA PHE A 78 66.030 1.091 -2.179 1.00 0.00 C ATOM 1127 C PHE A 78 65.089 0.391 -1.195 1.00 0.00 C ATOM 1128 O PHE A 78 65.503 -0.434 -0.404 1.00 0.00 O ATOM 1129 CB PHE A 78 66.378 2.496 -1.685 1.00 0.00 C ATOM 1130 CG PHE A 78 66.811 2.432 -0.241 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.932 1.675 0.122 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.094 3.134 0.735 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.335 1.620 1.462 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.497 3.079 2.075 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.617 2.322 2.438 1.00 0.00 C ATOM 0 H PHE A 78 65.231 2.280 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 78 66.916 0.463 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.175 2.920 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.514 3.153 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.485 1.134 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.230 3.718 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.199 1.036 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.944 3.620 2.828 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.928 2.279 3.471 1.00 0.00 H new ATOM 1145 N LEU A 79 63.824 0.711 -1.242 1.00 0.00 N ATOM 1146 CA LEU A 79 62.858 0.059 -0.313 1.00 0.00 C ATOM 1147 C LEU A 79 63.128 -1.446 -0.254 1.00 0.00 C ATOM 1148 O LEU A 79 63.003 -2.070 0.780 1.00 0.00 O ATOM 1149 CB LEU A 79 61.480 0.334 -0.916 1.00 0.00 C ATOM 1150 CG LEU A 79 61.026 1.743 -0.530 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.964 2.226 -1.522 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.433 1.720 0.880 1.00 0.00 C ATOM 0 H LEU A 79 63.419 1.394 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 79 62.938 0.440 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.520 0.238 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.761 -0.402 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 79 61.881 2.419 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.640 3.230 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.386 2.243 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.110 1.550 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.110 2.724 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.578 1.044 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.188 1.376 1.587 1.00 0.00 H new ATOM 1164 N VAL A 80 63.506 -2.030 -1.358 1.00 0.00 N ATOM 1165 CA VAL A 80 63.792 -3.492 -1.367 1.00 0.00 C ATOM 1166 C VAL A 80 64.984 -3.793 -0.457 1.00 0.00 C ATOM 1167 O VAL A 80 64.975 -4.741 0.302 1.00 0.00 O ATOM 1168 CB VAL A 80 64.132 -3.820 -2.821 1.00 0.00 C ATOM 1169 CG1 VAL A 80 64.283 -5.334 -2.982 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.006 -3.321 -3.731 1.00 0.00 C ATOM 0 H VAL A 80 63.629 -1.558 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 80 62.952 -4.084 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 80 65.067 -3.331 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 80 64.525 -5.567 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.083 -5.691 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.348 -5.824 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.246 -3.554 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 80 62.072 -3.811 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.897 -2.242 -3.617 1.00 0.00 H new ATOM 1180 N MET A 81 66.009 -2.989 -0.526 1.00 0.00 N ATOM 1181 CA MET A 81 67.200 -3.223 0.338 1.00 0.00 C ATOM 1182 C MET A 81 66.814 -3.078 1.811 1.00 0.00 C ATOM 1183 O MET A 81 67.518 -3.523 2.695 1.00 0.00 O ATOM 1184 CB MET A 81 68.202 -2.140 -0.067 1.00 0.00 C ATOM 1185 CG MET A 81 69.040 -2.639 -1.246 1.00 0.00 C ATOM 1186 SD MET A 81 67.946 -3.115 -2.607 1.00 0.00 S ATOM 1187 CE MET A 81 69.111 -2.800 -3.955 1.00 0.00 C ATOM 0 H MET A 81 66.073 -2.180 -1.144 1.00 0.00 H new ATOM 0 HA MET A 81 67.614 -4.224 0.215 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.675 -1.226 -0.342 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.849 -1.894 0.775 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.727 -1.859 -1.574 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.648 -3.490 -0.939 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.561 -2.525 -4.855 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.779 -1.985 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.696 -3.699 -4.148 1.00 0.00 H new ATOM 1197 N MET A 82 65.697 -2.458 2.080 1.00 0.00 N ATOM 1198 CA MET A 82 65.262 -2.285 3.494 1.00 0.00 C ATOM 1199 C MET A 82 64.517 -3.532 3.974 1.00 0.00 C ATOM 1200 O MET A 82 64.914 -4.180 4.921 1.00 0.00 O ATOM 1201 CB MET A 82 64.327 -1.076 3.477 1.00 0.00 C ATOM 1202 CG MET A 82 65.069 0.137 2.915 1.00 0.00 C ATOM 1203 SD MET A 82 64.682 1.595 3.914 1.00 0.00 S ATOM 1204 CE MET A 82 63.656 2.443 2.689 1.00 0.00 C ATOM 0 H MET A 82 65.067 -2.064 1.381 1.00 0.00 H new ATOM 0 HA MET A 82 66.105 -2.138 4.170 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.448 -1.291 2.869 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.973 -0.863 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.144 -0.046 2.920 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.779 0.306 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.910 3.503 2.673 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.835 2.012 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.605 2.326 2.951 1.00 0.00 H new ATOM 1214 N VAL A 83 63.437 -3.873 3.326 1.00 0.00 N ATOM 1215 CA VAL A 83 62.667 -5.080 3.744 1.00 0.00 C ATOM 1216 C VAL A 83 63.489 -6.344 3.487 1.00 0.00 C ATOM 1217 O VAL A 83 63.438 -7.292 4.243 1.00 0.00 O ATOM 1218 CB VAL A 83 61.407 -5.069 2.878 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.801 -3.664 2.876 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.769 -5.469 1.446 1.00 0.00 C ATOM 0 H VAL A 83 63.054 -3.369 2.526 1.00 0.00 H new ATOM 0 HA VAL A 83 62.426 -5.070 4.807 1.00 0.00 H new ATOM 0 HB VAL A 83 60.683 -5.777 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 83 59.903 -3.656 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.543 -3.378 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.525 -2.956 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.871 -5.461 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.493 -4.761 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.201 -6.470 1.446 1.00 0.00 H new ATOM 1230 N ARG A 84 64.248 -6.368 2.425 1.00 0.00 N ATOM 1231 CA ARG A 84 65.072 -7.575 2.127 1.00 0.00 C ATOM 1232 C ARG A 84 66.059 -7.832 3.268 1.00 0.00 C ATOM 1233 O ARG A 84 66.179 -8.937 3.761 1.00 0.00 O ATOM 1234 CB ARG A 84 65.819 -7.240 0.835 1.00 0.00 C ATOM 1235 CG ARG A 84 64.834 -7.229 -0.335 1.00 0.00 C ATOM 1236 CD ARG A 84 64.455 -8.668 -0.697 1.00 0.00 C ATOM 1237 NE ARG A 84 64.267 -8.655 -2.174 1.00 0.00 N ATOM 1238 CZ ARG A 84 64.277 -9.775 -2.843 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.188 -10.490 -2.937 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.375 -10.182 -3.420 1.00 0.00 N ATOM 0 H ARG A 84 64.333 -5.606 1.752 1.00 0.00 H new ATOM 0 HA ARG A 84 64.465 -8.474 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.305 -6.268 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.605 -7.974 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.942 -6.663 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.281 -6.732 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.238 -9.368 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.543 -8.977 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 84 64.130 -7.770 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 84 62.329 -10.173 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.196 -11.366 -3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.226 -9.624 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 84 65.382 -11.058 -3.943 1.00 0.00 H new ATOM 1254 N GLN A 85 66.763 -6.820 3.695 1.00 0.00 N ATOM 1255 CA GLN A 85 67.737 -7.008 4.808 1.00 0.00 C ATOM 1256 C GLN A 85 66.997 -7.354 6.100 1.00 0.00 C ATOM 1257 O GLN A 85 67.304 -8.326 6.762 1.00 0.00 O ATOM 1258 CB GLN A 85 68.449 -5.661 4.943 1.00 0.00 C ATOM 1259 CG GLN A 85 69.636 -5.804 5.899 1.00 0.00 C ATOM 1260 CD GLN A 85 70.618 -6.836 5.344 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.045 -6.738 4.211 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.995 -7.832 6.099 1.00 0.00 N ATOM 0 H GLN A 85 66.706 -5.872 3.322 1.00 0.00 H new ATOM 0 HA GLN A 85 68.437 -7.821 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.794 -5.321 3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.756 -4.907 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.134 -4.843 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.287 -6.112 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.637 -7.915 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.648 -8.527 5.737 1.00 0.00 H new ATOM 1271 N MET A 86 66.022 -6.568 6.465 1.00 0.00 N ATOM 1272 CA MET A 86 65.262 -6.854 7.713 1.00 0.00 C ATOM 1273 C MET A 86 64.386 -8.093 7.524 1.00 0.00 C ATOM 1274 O MET A 86 64.033 -8.764 8.471 1.00 0.00 O ATOM 1275 CB MET A 86 64.396 -5.616 7.945 1.00 0.00 C ATOM 1276 CG MET A 86 64.811 -4.942 9.253 1.00 0.00 C ATOM 1277 SD MET A 86 63.364 -4.763 10.325 1.00 0.00 S ATOM 1278 CE MET A 86 63.942 -5.830 11.667 1.00 0.00 C ATOM 0 H MET A 86 65.719 -5.740 5.952 1.00 0.00 H new ATOM 0 HA MET A 86 65.919 -7.054 8.559 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.507 -4.920 7.114 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.344 -5.898 7.986 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.576 -5.535 9.753 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.248 -3.965 9.048 1.00 0.00 H new ATOM 0 HE1 MET A 86 63.089 -6.168 12.256 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.459 -6.694 11.248 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.627 -5.272 12.306 1.00 0.00 H new ATOM 1288 N LYS A 87 64.035 -8.407 6.307 1.00 0.00 N ATOM 1289 CA LYS A 87 63.188 -9.609 6.070 1.00 0.00 C ATOM 1290 C LYS A 87 63.776 -10.806 6.815 1.00 0.00 C ATOM 1291 O LYS A 87 63.074 -11.713 7.216 1.00 0.00 O ATOM 1292 CB LYS A 87 63.238 -9.840 4.560 1.00 0.00 C ATOM 1293 CG LYS A 87 61.936 -9.350 3.926 1.00 0.00 C ATOM 1294 CD LYS A 87 60.859 -10.425 4.078 1.00 0.00 C ATOM 1295 CE LYS A 87 61.243 -11.656 3.254 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.319 -12.771 4.238 1.00 0.00 N ATOM 0 H LYS A 87 64.297 -7.886 5.470 1.00 0.00 H new ATOM 0 HA LYS A 87 62.166 -9.477 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.087 -9.310 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.382 -10.899 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.612 -8.425 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.095 -9.125 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 87 60.748 -10.697 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 87 59.896 -10.038 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.501 -11.861 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.198 -11.510 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.578 -13.650 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 62.038 -12.551 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.394 -12.891 4.699 1.00 0.00 H new ATOM 1310 N GLU A 88 65.065 -10.806 7.007 1.00 0.00 N ATOM 1311 CA GLU A 88 65.714 -11.935 7.733 1.00 0.00 C ATOM 1312 C GLU A 88 65.917 -11.561 9.203 1.00 0.00 C ATOM 1313 O GLU A 88 65.823 -12.391 10.086 1.00 0.00 O ATOM 1314 CB GLU A 88 67.062 -12.124 7.040 1.00 0.00 C ATOM 1315 CG GLU A 88 67.382 -13.617 6.941 1.00 0.00 C ATOM 1316 CD GLU A 88 67.452 -14.027 5.468 1.00 0.00 C ATOM 1317 OE1 GLU A 88 66.417 -14.026 4.823 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.541 -14.336 5.011 1.00 0.00 O ATOM 0 H GLU A 88 65.699 -10.072 6.692 1.00 0.00 H new ATOM 0 HA GLU A 88 65.113 -12.844 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.036 -11.680 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.845 -11.610 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.330 -13.830 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.617 -14.199 7.456 1.00 0.00 H new ATOM 1325 N ASP A 89 66.193 -10.313 9.472 1.00 0.00 N ATOM 1326 CA ASP A 89 66.404 -9.880 10.883 1.00 0.00 C ATOM 1327 C ASP A 89 65.054 -9.665 11.574 1.00 0.00 C ATOM 1328 O ASP A 89 64.929 -9.813 12.774 1.00 0.00 O ATOM 1329 CB ASP A 89 67.170 -8.562 10.781 1.00 0.00 C ATOM 1330 CG ASP A 89 67.996 -8.350 12.050 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.864 -9.151 12.961 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.746 -7.389 12.092 1.00 0.00 O ATOM 0 H ASP A 89 66.281 -9.574 8.774 1.00 0.00 H new ATOM 0 HA ASP A 89 66.947 -10.622 11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.823 -8.576 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.474 -7.734 10.646 1.00 0.00 H new ATOM 1337 N ALA A 90 64.045 -9.317 10.824 1.00 0.00 N ATOM 1338 CA ALA A 90 62.704 -9.090 11.434 1.00 0.00 C ATOM 1339 C ALA A 90 61.970 -10.422 11.609 1.00 0.00 C ATOM 1340 O ALA A 90 61.322 -10.847 10.668 1.00 0.00 O ATOM 1341 CB ALA A 90 61.965 -8.197 10.437 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.067 -10.991 12.684 1.00 0.00 O ATOM 0 H ALA A 90 64.091 -9.180 9.814 1.00 0.00 H new ATOM 0 HA ALA A 90 62.770 -8.633 12.421 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.965 -7.982 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.513 -7.263 10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.890 -8.708 9.477 1.00 0.00 H new