USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 401 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 171 ASN : amide:sc= -0.0194 X(o=-0.67,f=-0.81) USER MOD Set 1.2: A 181 MET CE :methyl -170:sc= -0.65 (180deg=-0.951) USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ -160:sc= -0.0337 (180deg=-0.346) USER MOD Single : A 168 GLN :FLIP amide:sc= -2.22! C(o=-2.9!,f=-2.2!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -169:sc= -6.79! (180deg=-7.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.816 0.323 -0.697 1.00 0.00 N ATOM 2 CA CYS A 135 2.124 0.021 -1.253 1.00 0.00 C ATOM 3 C CYS A 135 2.070 -1.375 -1.876 1.00 0.00 C ATOM 4 O CYS A 135 3.039 -1.824 -2.487 1.00 0.00 O ATOM 5 CB CYS A 135 3.227 0.133 -0.199 1.00 0.00 C ATOM 6 SG CYS A 135 4.626 1.112 -0.856 1.00 0.00 S ATOM 0 HA CYS A 135 2.372 0.752 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 135 2.834 0.605 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.571 -0.861 0.086 1.00 0.00 H new ATOM 0 HG CYS A 135 5.555 1.202 0.049 1.00 0.00 H new ATOM 12 N TYR A 136 0.928 -2.023 -1.701 1.00 0.00 N ATOM 13 CA TYR A 136 0.734 -3.359 -2.239 1.00 0.00 C ATOM 14 C TYR A 136 -0.741 -3.616 -2.552 1.00 0.00 C ATOM 15 O TYR A 136 -1.598 -2.791 -2.240 1.00 0.00 O ATOM 16 CB TYR A 136 1.187 -4.325 -1.142 1.00 0.00 C ATOM 17 CG TYR A 136 2.617 -4.086 -0.653 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.673 -4.724 -1.271 1.00 0.00 C ATOM 19 CD2 TYR A 136 2.851 -3.230 0.404 1.00 0.00 C ATOM 20 CE1 TYR A 136 5.018 -4.500 -0.811 1.00 0.00 C ATOM 21 CE2 TYR A 136 4.196 -3.005 0.864 1.00 0.00 C ATOM 22 CZ TYR A 136 5.215 -3.652 0.234 1.00 0.00 C ATOM 23 OH TYR A 136 6.485 -3.439 0.668 1.00 0.00 O ATOM 0 H TYR A 136 0.127 -1.647 -1.194 1.00 0.00 H new ATOM 0 HA TYR A 136 1.295 -3.485 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.506 -4.242 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 136 1.108 -5.346 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.490 -5.392 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 136 2.025 -2.729 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.853 -4.994 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 136 4.393 -2.338 1.690 1.00 0.00 H new ATOM 0 HH TYR A 136 6.473 -2.810 1.419 1.00 0.00 H new ATOM 33 N VAL A 137 -0.992 -4.763 -3.164 1.00 0.00 N ATOM 34 CA VAL A 137 -2.349 -5.140 -3.523 1.00 0.00 C ATOM 35 C VAL A 137 -2.490 -6.661 -3.440 1.00 0.00 C ATOM 36 O VAL A 137 -1.527 -7.391 -3.664 1.00 0.00 O ATOM 37 CB VAL A 137 -2.699 -4.581 -4.903 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.987 -3.080 -4.830 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.589 -4.878 -5.913 1.00 0.00 C ATOM 0 H VAL A 137 -0.278 -5.445 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.064 -4.709 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.606 -5.080 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -3.233 -2.708 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.827 -2.903 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.106 -2.558 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.863 -4.470 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.659 -4.420 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.453 -5.956 -5.997 1.00 0.00 H new ATOM 49 N ARG A 138 -3.700 -7.093 -3.117 1.00 0.00 N ATOM 50 CA ARG A 138 -3.981 -8.514 -3.001 1.00 0.00 C ATOM 51 C ARG A 138 -4.785 -8.997 -4.210 1.00 0.00 C ATOM 52 O ARG A 138 -5.969 -8.689 -4.335 1.00 0.00 O ATOM 53 CB ARG A 138 -4.763 -8.820 -1.722 1.00 0.00 C ATOM 54 CG ARG A 138 -4.441 -10.223 -1.204 1.00 0.00 C ATOM 55 CD ARG A 138 -5.097 -10.469 0.156 1.00 0.00 C ATOM 56 NE ARG A 138 -6.561 -10.614 -0.006 1.00 0.00 N ATOM 57 CZ ARG A 138 -7.353 -11.259 0.860 1.00 0.00 C ATOM 58 NH1 ARG A 138 -6.829 -11.821 1.957 1.00 0.00 N ATOM 59 NH2 ARG A 138 -8.671 -11.339 0.631 1.00 0.00 N ATOM 0 H ARG A 138 -4.497 -6.484 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 138 -3.026 -9.038 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.520 -8.082 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.832 -8.737 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.789 -10.968 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.361 -10.344 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -4.683 -11.368 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -4.878 -9.641 0.830 1.00 0.00 H new ATOM 0 HE ARG A 138 -6.994 -10.196 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.826 -11.758 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -7.433 -12.312 2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -9.071 -10.909 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -9.274 -11.830 1.291 1.00 0.00 H new ATOM 73 N ALA A 139 -4.110 -9.746 -5.070 1.00 0.00 N ATOM 74 CA ALA A 139 -4.746 -10.274 -6.263 1.00 0.00 C ATOM 75 C ALA A 139 -5.544 -11.528 -5.900 1.00 0.00 C ATOM 76 O ALA A 139 -4.968 -12.594 -5.691 1.00 0.00 O ATOM 77 CB ALA A 139 -3.685 -10.548 -7.331 1.00 0.00 C ATOM 0 H ALA A 139 -3.128 -9.999 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.445 -9.547 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.164 -10.944 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.168 -9.620 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.966 -11.275 -6.952 1.00 0.00 H new ATOM 83 N LEU A 140 -6.856 -11.358 -5.834 1.00 0.00 N ATOM 84 CA LEU A 140 -7.738 -12.463 -5.499 1.00 0.00 C ATOM 85 C LEU A 140 -8.137 -13.199 -6.780 1.00 0.00 C ATOM 86 O LEU A 140 -9.166 -13.871 -6.819 1.00 0.00 O ATOM 87 CB LEU A 140 -8.931 -11.967 -4.678 1.00 0.00 C ATOM 88 CG LEU A 140 -8.611 -11.457 -3.272 1.00 0.00 C ATOM 89 CD1 LEU A 140 -8.644 -9.928 -3.222 1.00 0.00 C ATOM 90 CD2 LEU A 140 -9.544 -12.085 -2.235 1.00 0.00 C ATOM 0 H LEU A 140 -7.330 -10.471 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.221 -13.183 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.419 -11.165 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.652 -12.780 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 140 -7.596 -11.765 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -8.413 -9.592 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.906 -9.525 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -9.636 -9.576 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -9.295 -11.705 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -10.577 -11.829 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.426 -13.169 -2.248 1.00 0.00 H new ATOM 102 N PHE A 141 -7.301 -13.046 -7.797 1.00 0.00 N ATOM 103 CA PHE A 141 -7.554 -13.687 -9.075 1.00 0.00 C ATOM 104 C PHE A 141 -6.247 -14.142 -9.729 1.00 0.00 C ATOM 105 O PHE A 141 -5.219 -13.480 -9.594 1.00 0.00 O ATOM 106 CB PHE A 141 -8.223 -12.645 -9.974 1.00 0.00 C ATOM 107 CG PHE A 141 -9.725 -12.484 -9.729 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.168 -11.721 -8.695 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.617 -13.105 -10.547 1.00 0.00 C ATOM 110 CE1 PHE A 141 -11.561 -11.573 -8.467 1.00 0.00 C ATOM 111 CE2 PHE A 141 -12.011 -12.956 -10.319 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.454 -12.194 -9.285 1.00 0.00 C ATOM 0 H PHE A 141 -6.448 -12.487 -7.761 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.183 -14.566 -8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -7.735 -11.682 -9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.063 -12.922 -11.016 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.460 -11.227 -8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.266 -13.711 -11.369 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.912 -10.968 -7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.720 -13.449 -10.968 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.514 -12.081 -9.112 1.00 0.00 H new ATOM 122 N ASP A 142 -6.330 -15.268 -10.421 1.00 0.00 N ATOM 123 CA ASP A 142 -5.167 -15.819 -11.096 1.00 0.00 C ATOM 124 C ASP A 142 -5.060 -15.213 -12.496 1.00 0.00 C ATOM 125 O ASP A 142 -6.065 -14.818 -13.085 1.00 0.00 O ATOM 126 CB ASP A 142 -5.284 -17.337 -11.245 1.00 0.00 C ATOM 127 CG ASP A 142 -4.582 -17.922 -12.472 1.00 0.00 C ATOM 128 OD1 ASP A 142 -5.121 -17.724 -13.583 1.00 0.00 O ATOM 129 OD2 ASP A 142 -3.524 -18.556 -12.272 1.00 0.00 O ATOM 0 H ASP A 142 -7.185 -15.814 -10.529 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.287 -15.582 -10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -4.874 -17.807 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -6.340 -17.602 -11.288 1.00 0.00 H new ATOM 134 N PHE A 143 -3.831 -15.159 -12.990 1.00 0.00 N ATOM 135 CA PHE A 143 -3.579 -14.607 -14.311 1.00 0.00 C ATOM 136 C PHE A 143 -2.089 -14.659 -14.652 1.00 0.00 C ATOM 137 O PHE A 143 -1.244 -14.655 -13.758 1.00 0.00 O ATOM 138 CB PHE A 143 -4.033 -13.147 -14.280 1.00 0.00 C ATOM 139 CG PHE A 143 -4.415 -12.584 -15.651 1.00 0.00 C ATOM 140 CD1 PHE A 143 -5.387 -13.187 -16.386 1.00 0.00 C ATOM 141 CD2 PHE A 143 -3.782 -11.482 -16.134 1.00 0.00 C ATOM 142 CE1 PHE A 143 -5.741 -12.664 -17.658 1.00 0.00 C ATOM 143 CE2 PHE A 143 -4.136 -10.960 -17.406 1.00 0.00 C ATOM 144 CZ PHE A 143 -5.108 -11.562 -18.141 1.00 0.00 C ATOM 0 H PHE A 143 -3.000 -15.488 -12.499 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.116 -15.184 -15.064 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.889 -13.058 -13.611 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.234 -12.538 -13.858 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -5.889 -14.063 -16.003 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.010 -11.004 -15.550 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -6.514 -13.142 -18.242 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -3.633 -10.085 -17.790 1.00 0.00 H new ATOM 0 HZ PHE A 143 -5.377 -11.165 -19.109 1.00 0.00 H new ATOM 243 N LEU A 151 1.593 -8.639 -15.888 1.00 0.00 N ATOM 244 CA LEU A 151 2.185 -9.206 -14.688 1.00 0.00 C ATOM 245 C LEU A 151 1.436 -10.484 -14.309 1.00 0.00 C ATOM 246 O LEU A 151 0.274 -10.432 -13.908 1.00 0.00 O ATOM 247 CB LEU A 151 2.229 -8.164 -13.569 1.00 0.00 C ATOM 248 CG LEU A 151 3.336 -8.343 -12.528 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.718 -8.255 -13.177 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.176 -7.344 -11.380 1.00 0.00 C ATOM 0 HA LEU A 151 3.222 -9.487 -14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.339 -7.179 -14.022 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.268 -8.173 -13.054 1.00 0.00 H new ATOM 0 HG LEU A 151 3.245 -9.341 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.487 -8.385 -12.415 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.817 -9.037 -13.930 1.00 0.00 H new ATOM 0 HD13 LEU A 151 4.837 -7.280 -13.649 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.975 -7.493 -10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 151 3.226 -6.328 -11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.212 -7.498 -10.895 1.00 0.00 H new ATOM 262 N PRO A 152 2.149 -11.633 -14.452 1.00 0.00 N ATOM 263 CA PRO A 152 1.563 -12.923 -14.130 1.00 0.00 C ATOM 264 C PRO A 152 1.480 -13.124 -12.615 1.00 0.00 C ATOM 265 O PRO A 152 2.444 -12.866 -11.897 1.00 0.00 O ATOM 266 CB PRO A 152 2.457 -13.943 -14.816 1.00 0.00 C ATOM 267 CG PRO A 152 3.764 -13.225 -15.106 1.00 0.00 C ATOM 268 CD PRO A 152 3.526 -11.734 -14.925 1.00 0.00 C ATOM 0 HA PRO A 152 0.534 -13.017 -14.478 1.00 0.00 H new ATOM 0 HB2 PRO A 152 2.622 -14.810 -14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.999 -14.307 -15.736 1.00 0.00 H new ATOM 0 HG2 PRO A 152 4.548 -13.571 -14.432 1.00 0.00 H new ATOM 0 HG3 PRO A 152 4.100 -13.438 -16.121 1.00 0.00 H new ATOM 0 HD2 PRO A 152 4.224 -11.306 -14.206 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.663 -11.194 -15.862 1.00 0.00 H new ATOM 276 N PHE A 153 0.318 -13.583 -12.174 1.00 0.00 N ATOM 277 CA PHE A 153 0.096 -13.822 -10.759 1.00 0.00 C ATOM 278 C PHE A 153 -0.919 -14.946 -10.545 1.00 0.00 C ATOM 279 O PHE A 153 -1.418 -15.529 -11.506 1.00 0.00 O ATOM 280 CB PHE A 153 -0.464 -12.526 -10.170 1.00 0.00 C ATOM 281 CG PHE A 153 -1.678 -11.975 -10.920 1.00 0.00 C ATOM 282 CD1 PHE A 153 -2.850 -12.665 -10.919 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.586 -10.794 -11.589 1.00 0.00 C ATOM 284 CE1 PHE A 153 -3.977 -12.154 -11.615 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.713 -10.282 -12.285 1.00 0.00 C ATOM 286 CZ PHE A 153 -3.884 -10.973 -12.284 1.00 0.00 C ATOM 0 H PHE A 153 -0.480 -13.796 -12.773 1.00 0.00 H new ATOM 0 HA PHE A 153 1.030 -14.117 -10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.741 -12.701 -9.130 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.322 -11.771 -10.167 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -2.923 -13.603 -10.388 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.656 -10.246 -11.591 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -4.907 -12.702 -11.613 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.640 -9.344 -12.815 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.741 -10.584 -12.814 1.00 0.00 H new ATOM 296 N LYS A 154 -1.196 -15.217 -9.277 1.00 0.00 N ATOM 297 CA LYS A 154 -2.142 -16.262 -8.925 1.00 0.00 C ATOM 298 C LYS A 154 -3.144 -15.713 -7.906 1.00 0.00 C ATOM 299 O LYS A 154 -2.798 -14.866 -7.085 1.00 0.00 O ATOM 300 CB LYS A 154 -1.405 -17.515 -8.449 1.00 0.00 C ATOM 301 CG LYS A 154 -2.025 -18.060 -7.161 1.00 0.00 C ATOM 302 CD LYS A 154 -1.198 -19.217 -6.600 1.00 0.00 C ATOM 303 CE LYS A 154 0.136 -18.717 -6.041 1.00 0.00 C ATOM 304 NZ LYS A 154 0.812 -19.788 -5.274 1.00 0.00 N ATOM 0 H LYS A 154 -0.782 -14.731 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.713 -16.571 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.441 -18.279 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.354 -17.281 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.091 -17.263 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.042 -18.398 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -1.759 -19.722 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -1.015 -19.952 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 154 0.778 -18.386 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.033 -17.853 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 1.715 -19.431 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 0.205 -20.085 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 0.991 -20.601 -5.897 1.00 0.00 H new ATOM 318 N LYS A 155 -4.366 -16.218 -7.995 1.00 0.00 N ATOM 319 CA LYS A 155 -5.419 -15.790 -7.091 1.00 0.00 C ATOM 320 C LYS A 155 -4.970 -16.016 -5.646 1.00 0.00 C ATOM 321 O LYS A 155 -4.718 -17.150 -5.241 1.00 0.00 O ATOM 322 CB LYS A 155 -6.738 -16.482 -7.441 1.00 0.00 C ATOM 323 CG LYS A 155 -7.808 -16.187 -6.387 1.00 0.00 C ATOM 324 CD LYS A 155 -7.950 -17.354 -5.407 1.00 0.00 C ATOM 325 CE LYS A 155 -7.535 -16.937 -3.995 1.00 0.00 C ATOM 326 NZ LYS A 155 -8.614 -17.241 -3.027 1.00 0.00 N ATOM 0 H LYS A 155 -4.650 -16.919 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.606 -14.722 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -7.082 -16.144 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.580 -17.558 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.546 -15.280 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.764 -16.000 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -8.983 -17.703 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -7.334 -18.190 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -6.623 -17.460 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -7.310 -15.871 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -8.316 -16.952 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.475 -16.722 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -8.809 -18.263 -3.034 1.00 0.00 H new ATOM 340 N GLY A 156 -4.883 -14.920 -4.908 1.00 0.00 N ATOM 341 CA GLY A 156 -4.469 -14.984 -3.517 1.00 0.00 C ATOM 342 C GLY A 156 -2.993 -14.611 -3.367 1.00 0.00 C ATOM 343 O GLY A 156 -2.290 -15.173 -2.529 1.00 0.00 O ATOM 0 H GLY A 156 -5.092 -13.981 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.081 -14.308 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.635 -15.990 -3.130 1.00 0.00 H new ATOM 347 N ASP A 157 -2.567 -13.667 -4.193 1.00 0.00 N ATOM 348 CA ASP A 157 -1.187 -13.213 -4.162 1.00 0.00 C ATOM 349 C ASP A 157 -1.155 -11.713 -3.860 1.00 0.00 C ATOM 350 O ASP A 157 -2.192 -11.054 -3.864 1.00 0.00 O ATOM 351 CB ASP A 157 -0.504 -13.439 -5.512 1.00 0.00 C ATOM 352 CG ASP A 157 1.017 -13.266 -5.504 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.699 -14.251 -5.151 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.463 -12.151 -5.852 1.00 0.00 O ATOM 0 H ASP A 157 -3.153 -13.204 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.662 -13.779 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.738 -14.446 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -0.930 -12.746 -6.238 1.00 0.00 H new ATOM 359 N ILE A 158 0.049 -11.219 -3.606 1.00 0.00 N ATOM 360 CA ILE A 158 0.230 -9.810 -3.303 1.00 0.00 C ATOM 361 C ILE A 158 1.151 -9.182 -4.352 1.00 0.00 C ATOM 362 O ILE A 158 2.043 -9.846 -4.878 1.00 0.00 O ATOM 363 CB ILE A 158 0.722 -9.630 -1.866 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.329 -10.113 -0.863 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.138 -8.182 -1.606 1.00 0.00 C ATOM 366 CD1 ILE A 158 0.310 -10.976 0.227 1.00 0.00 C ATOM 0 H ILE A 158 0.908 -11.770 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.722 -9.283 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 158 1.609 -10.249 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.825 -9.255 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -1.097 -10.686 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.484 -8.082 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 158 1.943 -7.907 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.285 -7.524 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -0.458 -11.306 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 158 0.784 -11.845 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 158 1.060 -10.392 0.761 1.00 0.00 H new ATOM 378 N LEU A 159 0.905 -7.908 -4.622 1.00 0.00 N ATOM 379 CA LEU A 159 1.700 -7.183 -5.598 1.00 0.00 C ATOM 380 C LEU A 159 1.967 -5.767 -5.081 1.00 0.00 C ATOM 381 O LEU A 159 1.066 -5.116 -4.554 1.00 0.00 O ATOM 382 CB LEU A 159 1.029 -7.220 -6.972 1.00 0.00 C ATOM 383 CG LEU A 159 0.390 -8.552 -7.370 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.971 -8.330 -8.032 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.332 -9.370 -8.255 1.00 0.00 C ATOM 0 H LEU A 159 0.166 -7.360 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 159 2.670 -7.663 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.260 -6.448 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.772 -6.957 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 159 0.217 -9.132 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.404 -9.292 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.635 -7.818 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.845 -7.721 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.853 -10.312 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.560 -8.808 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.255 -9.574 -7.713 1.00 0.00 H new ATOM 397 N ARG A 160 3.207 -5.333 -5.251 1.00 0.00 N ATOM 398 CA ARG A 160 3.603 -4.007 -4.809 1.00 0.00 C ATOM 399 C ARG A 160 3.331 -2.978 -5.909 1.00 0.00 C ATOM 400 O ARG A 160 4.105 -2.862 -6.859 1.00 0.00 O ATOM 401 CB ARG A 160 5.086 -3.969 -4.440 1.00 0.00 C ATOM 402 CG ARG A 160 5.604 -2.530 -4.391 1.00 0.00 C ATOM 403 CD ARG A 160 6.509 -2.313 -3.177 1.00 0.00 C ATOM 404 NE ARG A 160 7.079 -0.948 -3.208 1.00 0.00 N ATOM 405 CZ ARG A 160 8.006 -0.540 -4.085 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.474 -1.390 -5.009 1.00 0.00 N ATOM 407 NH2 ARG A 160 8.464 0.718 -4.038 1.00 0.00 N ATOM 0 H ARG A 160 3.951 -5.876 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 160 3.015 -3.763 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.235 -4.446 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.660 -4.541 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.156 -2.307 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.763 -1.838 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 160 5.940 -2.458 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.311 -3.051 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 160 6.745 -0.275 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.124 -2.348 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 160 9.180 -1.079 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 160 8.107 1.365 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.170 1.029 -4.705 1.00 0.00 H new ATOM 421 N ILE A 161 2.232 -2.258 -5.743 1.00 0.00 N ATOM 422 CA ILE A 161 1.850 -1.242 -6.710 1.00 0.00 C ATOM 423 C ILE A 161 2.551 0.073 -6.366 1.00 0.00 C ATOM 424 O ILE A 161 2.517 0.517 -5.219 1.00 0.00 O ATOM 425 CB ILE A 161 0.326 -1.125 -6.789 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.089 -0.068 -7.813 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.275 -0.854 -5.408 1.00 0.00 C ATOM 428 CD1 ILE A 161 -0.090 1.330 -7.189 1.00 0.00 C ATOM 0 H ILE A 161 1.594 -2.357 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 161 2.178 -1.525 -7.710 1.00 0.00 H new ATOM 0 HB ILE A 161 -0.074 -2.079 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 161 0.595 -0.091 -8.662 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.082 -0.299 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.359 -0.775 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -0.022 -1.672 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.127 0.079 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -0.389 2.063 -7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.792 1.356 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 161 0.910 1.568 -6.828 1.00 0.00 H new ATOM 440 N ARG A 162 3.170 0.660 -7.380 1.00 0.00 N ATOM 441 CA ARG A 162 3.878 1.916 -7.200 1.00 0.00 C ATOM 442 C ARG A 162 3.436 2.930 -8.254 1.00 0.00 C ATOM 443 O ARG A 162 3.541 4.138 -8.042 1.00 0.00 O ATOM 444 CB ARG A 162 5.391 1.713 -7.299 1.00 0.00 C ATOM 445 CG ARG A 162 5.764 0.984 -8.591 1.00 0.00 C ATOM 446 CD ARG A 162 7.218 0.512 -8.555 1.00 0.00 C ATOM 447 NE ARG A 162 7.881 0.812 -9.844 1.00 0.00 N ATOM 448 CZ ARG A 162 7.531 0.262 -11.015 1.00 0.00 C ATOM 449 NH1 ARG A 162 6.525 -0.622 -11.065 1.00 0.00 N ATOM 450 NH2 ARG A 162 8.188 0.594 -12.134 1.00 0.00 N ATOM 0 H ARG A 162 3.196 0.289 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 162 3.638 2.293 -6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.894 2.679 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.741 1.140 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.104 0.128 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.614 1.647 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.749 1.005 -7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.256 -0.559 -8.358 1.00 0.00 H new ATOM 0 HE ARG A 162 8.653 1.479 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.026 -0.876 -10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 162 6.258 -1.041 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 162 8.955 1.265 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 162 7.922 0.175 -13.025 1.00 0.00 H new ATOM 464 N ASP A 163 2.949 2.405 -9.369 1.00 0.00 N ATOM 465 CA ASP A 163 2.490 3.251 -10.457 1.00 0.00 C ATOM 466 C ASP A 163 1.044 2.889 -10.804 1.00 0.00 C ATOM 467 O ASP A 163 0.642 1.734 -10.675 1.00 0.00 O ATOM 468 CB ASP A 163 3.342 3.045 -11.712 1.00 0.00 C ATOM 469 CG ASP A 163 4.724 3.699 -11.669 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.783 4.918 -11.941 1.00 0.00 O ATOM 471 OD2 ASP A 163 5.690 2.966 -11.367 1.00 0.00 O ATOM 0 H ASP A 163 2.862 1.404 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 163 2.569 4.289 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.468 1.975 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.798 3.437 -12.571 1.00 0.00 H new ATOM 476 N LYS A 164 0.303 3.898 -11.236 1.00 0.00 N ATOM 477 CA LYS A 164 -1.090 3.701 -11.602 1.00 0.00 C ATOM 478 C LYS A 164 -1.430 4.596 -12.795 1.00 0.00 C ATOM 479 O LYS A 164 -2.157 5.578 -12.652 1.00 0.00 O ATOM 480 CB LYS A 164 -1.998 3.920 -10.390 1.00 0.00 C ATOM 481 CG LYS A 164 -1.290 3.517 -9.095 1.00 0.00 C ATOM 482 CD LYS A 164 -2.048 4.036 -7.871 1.00 0.00 C ATOM 483 CE LYS A 164 -1.820 5.537 -7.682 1.00 0.00 C ATOM 484 NZ LYS A 164 -0.428 5.799 -7.252 1.00 0.00 N ATOM 0 H LYS A 164 0.640 4.855 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.260 2.671 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.293 4.968 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -2.912 3.337 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -1.209 2.431 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -0.274 3.913 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.114 3.838 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -1.720 3.500 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -2.024 6.062 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -2.516 5.926 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -0.373 6.738 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -0.134 5.075 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 0.202 5.769 -8.079 1.00 0.00 H new ATOM 498 N PRO A 165 -0.875 4.215 -13.977 1.00 0.00 N ATOM 499 CA PRO A 165 -1.113 4.971 -15.194 1.00 0.00 C ATOM 500 C PRO A 165 -2.521 4.714 -15.734 1.00 0.00 C ATOM 501 O PRO A 165 -2.877 5.196 -16.808 1.00 0.00 O ATOM 502 CB PRO A 165 -0.019 4.528 -16.153 1.00 0.00 C ATOM 503 CG PRO A 165 0.504 3.209 -15.607 1.00 0.00 C ATOM 504 CD PRO A 165 -0.009 3.057 -14.185 1.00 0.00 C ATOM 0 HA PRO A 165 -1.072 6.048 -15.034 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -0.411 4.405 -17.163 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.777 5.271 -16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 165 0.165 2.378 -16.226 1.00 0.00 H new ATOM 0 HG3 PRO A 165 1.594 3.194 -15.623 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.559 2.124 -14.060 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.811 3.042 -13.468 1.00 0.00 H new ATOM 512 N GLU A 166 -3.286 3.954 -14.962 1.00 0.00 N ATOM 513 CA GLU A 166 -4.648 3.627 -15.349 1.00 0.00 C ATOM 514 C GLU A 166 -5.565 3.638 -14.125 1.00 0.00 C ATOM 515 O GLU A 166 -5.095 3.769 -12.995 1.00 0.00 O ATOM 516 CB GLU A 166 -4.705 2.276 -16.065 1.00 0.00 C ATOM 517 CG GLU A 166 -3.555 2.135 -17.064 1.00 0.00 C ATOM 518 CD GLU A 166 -3.769 3.043 -18.278 1.00 0.00 C ATOM 519 OE1 GLU A 166 -4.950 3.241 -18.637 1.00 0.00 O ATOM 520 OE2 GLU A 166 -2.747 3.518 -18.818 1.00 0.00 O ATOM 0 H GLU A 166 -2.988 3.556 -14.071 1.00 0.00 H new ATOM 0 HA GLU A 166 -4.999 4.387 -16.048 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.656 1.470 -15.333 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.658 2.176 -16.585 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -2.613 2.388 -16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.477 1.098 -17.390 1.00 0.00 H new ATOM 527 N GLU A 167 -6.856 3.500 -14.390 1.00 0.00 N ATOM 528 CA GLU A 167 -7.841 3.493 -13.324 1.00 0.00 C ATOM 529 C GLU A 167 -8.257 2.057 -12.994 1.00 0.00 C ATOM 530 O GLU A 167 -9.278 1.836 -12.346 1.00 0.00 O ATOM 531 CB GLU A 167 -9.058 4.343 -13.696 1.00 0.00 C ATOM 532 CG GLU A 167 -9.804 3.741 -14.888 1.00 0.00 C ATOM 533 CD GLU A 167 -11.241 4.261 -14.956 1.00 0.00 C ATOM 534 OE1 GLU A 167 -11.402 5.499 -14.881 1.00 0.00 O ATOM 535 OE2 GLU A 167 -12.147 3.409 -15.080 1.00 0.00 O ATOM 0 H GLU A 167 -7.242 3.392 -15.328 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.388 3.933 -12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.730 4.416 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.738 5.357 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -9.280 3.988 -15.811 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.810 2.654 -14.806 1.00 0.00 H new ATOM 542 N GLN A 168 -7.442 1.119 -13.455 1.00 0.00 N ATOM 543 CA GLN A 168 -7.712 -0.289 -13.217 1.00 0.00 C ATOM 544 C GLN A 168 -6.423 -1.104 -13.341 1.00 0.00 C ATOM 545 O GLN A 168 -6.162 -1.987 -12.526 1.00 0.00 O ATOM 546 CB GLN A 168 -8.785 -0.811 -14.174 1.00 0.00 C ATOM 547 CG GLN A 168 -10.184 -0.415 -13.697 1.00 0.00 C ATOM 548 CD GLN A 168 -11.182 -1.553 -13.920 1.00 0.00 C ATOM 549 OE1 GLN A 168 -11.915 -1.848 -12.851 1.00 0.00 O flip ATOM 550 NE2 GLN A 168 -11.279 -2.127 -14.993 1.00 0.00 N flip ATOM 0 H GLN A 168 -6.595 1.306 -13.992 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.093 -0.400 -12.202 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.611 -0.412 -15.173 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.715 -1.896 -14.247 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.152 -0.157 -12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.516 0.475 -14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.685 -1.851 -15.775 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -11.954 -2.883 -15.108 1.00 0.00 H new ATOM 559 N TRP A 169 -5.651 -0.778 -14.367 1.00 0.00 N ATOM 560 CA TRP A 169 -4.396 -1.470 -14.609 1.00 0.00 C ATOM 561 C TRP A 169 -3.262 -0.591 -14.075 1.00 0.00 C ATOM 562 O TRP A 169 -2.857 0.370 -14.727 1.00 0.00 O ATOM 563 CB TRP A 169 -4.237 -1.815 -16.091 1.00 0.00 C ATOM 564 CG TRP A 169 -5.102 -2.990 -16.551 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.259 -2.947 -17.229 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.833 -4.392 -16.341 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.752 -4.213 -17.469 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.857 -5.120 -16.911 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.759 -5.024 -15.690 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.908 -6.519 -16.889 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.826 -6.423 -15.675 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.850 -7.170 -16.245 1.00 0.00 C ATOM 0 H TRP A 169 -5.870 -0.044 -15.040 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.374 -2.425 -14.084 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.487 -0.937 -16.687 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.191 -2.047 -16.290 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.744 -2.036 -17.547 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.614 -4.442 -17.964 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.947 -4.474 -15.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.720 -7.066 -17.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -3.026 -6.959 -15.186 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.829 -8.248 -16.191 1.00 0.00 H new ATOM 583 N TRP A 170 -2.782 -0.954 -12.895 1.00 0.00 N ATOM 584 CA TRP A 170 -1.703 -0.211 -12.267 1.00 0.00 C ATOM 585 C TRP A 170 -0.436 -1.064 -12.340 1.00 0.00 C ATOM 586 O TRP A 170 -0.512 -2.289 -12.416 1.00 0.00 O ATOM 587 CB TRP A 170 -2.073 0.188 -10.836 1.00 0.00 C ATOM 588 CG TRP A 170 -3.397 0.948 -10.724 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.174 1.399 -11.717 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.070 1.326 -9.505 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.296 2.040 -11.229 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.229 1.994 -9.841 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.710 1.113 -8.163 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.124 2.502 -8.892 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.615 1.627 -7.226 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.787 2.301 -7.548 1.00 0.00 C ATOM 0 H TRP A 170 -3.120 -1.752 -12.358 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.522 0.726 -12.794 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.129 -0.711 -10.222 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.275 0.806 -10.424 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.952 1.277 -12.767 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -6.037 2.468 -11.784 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -2.807 0.594 -7.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.026 3.021 -9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.386 1.490 -6.179 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.435 2.668 -6.765 1.00 0.00 H new ATOM 607 N ASN A 171 0.701 -0.383 -12.314 1.00 0.00 N ATOM 608 CA ASN A 171 1.983 -1.063 -12.378 1.00 0.00 C ATOM 609 C ASN A 171 2.425 -1.442 -10.962 1.00 0.00 C ATOM 610 O ASN A 171 2.740 -0.571 -10.153 1.00 0.00 O ATOM 611 CB ASN A 171 3.058 -0.159 -12.983 1.00 0.00 C ATOM 612 CG ASN A 171 3.692 -0.808 -14.214 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.569 -1.652 -14.120 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.203 -0.369 -15.370 1.00 0.00 N ATOM 0 H ASN A 171 0.760 0.633 -12.249 1.00 0.00 H new ATOM 0 HA ASN A 171 1.864 -1.948 -13.003 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.619 0.800 -13.259 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.827 0.045 -12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 171 3.562 -0.741 -16.250 1.00 0.00 H new ATOM 0 HD22 ASN A 171 2.469 0.339 -15.377 1.00 0.00 H new ATOM 621 N ALA A 172 2.434 -2.742 -10.708 1.00 0.00 N ATOM 622 CA ALA A 172 2.832 -3.246 -9.404 1.00 0.00 C ATOM 623 C ALA A 172 3.822 -4.397 -9.588 1.00 0.00 C ATOM 624 O ALA A 172 3.937 -4.954 -10.679 1.00 0.00 O ATOM 625 CB ALA A 172 1.588 -3.667 -8.618 1.00 0.00 C ATOM 0 H ALA A 172 2.172 -3.461 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 172 3.334 -2.468 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.886 -4.045 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.930 -2.807 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.060 -4.449 -9.164 1.00 0.00 H new ATOM 631 N GLU A 173 4.514 -4.719 -8.504 1.00 0.00 N ATOM 632 CA GLU A 173 5.491 -5.793 -8.534 1.00 0.00 C ATOM 633 C GLU A 173 4.864 -7.095 -8.030 1.00 0.00 C ATOM 634 O GLU A 173 3.856 -7.071 -7.326 1.00 0.00 O ATOM 635 CB GLU A 173 6.731 -5.429 -7.713 1.00 0.00 C ATOM 636 CG GLU A 173 7.762 -4.697 -8.573 1.00 0.00 C ATOM 637 CD GLU A 173 7.498 -3.190 -8.582 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.564 -2.781 -9.304 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.237 -2.480 -7.865 1.00 0.00 O ATOM 0 H GLU A 173 4.417 -4.255 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 173 5.808 -5.940 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.442 -4.800 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.175 -6.334 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.764 -4.892 -8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.729 -5.082 -9.592 1.00 0.00 H new ATOM 646 N ASP A 174 5.488 -8.201 -8.411 1.00 0.00 N ATOM 647 CA ASP A 174 5.002 -9.510 -8.008 1.00 0.00 C ATOM 648 C ASP A 174 5.743 -9.957 -6.745 1.00 0.00 C ATOM 649 O ASP A 174 6.406 -9.152 -6.093 1.00 0.00 O ATOM 650 CB ASP A 174 5.256 -10.552 -9.099 1.00 0.00 C ATOM 651 CG ASP A 174 3.997 -11.164 -9.715 1.00 0.00 C ATOM 652 OD1 ASP A 174 3.114 -11.562 -8.924 1.00 0.00 O ATOM 653 OD2 ASP A 174 3.945 -11.220 -10.962 1.00 0.00 O ATOM 0 H ASP A 174 6.325 -8.217 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 174 3.930 -9.431 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.842 -10.089 -9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 174 5.864 -11.354 -8.680 1.00 0.00 H new ATOM 658 N SER A 175 5.605 -11.238 -6.439 1.00 0.00 N ATOM 659 CA SER A 175 6.253 -11.801 -5.267 1.00 0.00 C ATOM 660 C SER A 175 7.746 -11.995 -5.536 1.00 0.00 C ATOM 661 O SER A 175 8.463 -12.555 -4.709 1.00 0.00 O ATOM 662 CB SER A 175 5.609 -13.131 -4.867 1.00 0.00 C ATOM 663 OG SER A 175 4.754 -12.990 -3.736 1.00 0.00 O ATOM 0 H SER A 175 5.054 -11.902 -6.982 1.00 0.00 H new ATOM 0 HA SER A 175 6.127 -11.103 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.037 -13.524 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 175 6.389 -13.859 -4.644 1.00 0.00 H new ATOM 0 HG SER A 175 4.361 -13.859 -3.513 1.00 0.00 H new ATOM 669 N GLU A 176 8.172 -11.519 -6.698 1.00 0.00 N ATOM 670 CA GLU A 176 9.567 -11.634 -7.088 1.00 0.00 C ATOM 671 C GLU A 176 10.139 -10.255 -7.423 1.00 0.00 C ATOM 672 O GLU A 176 11.334 -10.119 -7.682 1.00 0.00 O ATOM 673 CB GLU A 176 9.731 -12.596 -8.265 1.00 0.00 C ATOM 674 CG GLU A 176 9.420 -14.034 -7.846 1.00 0.00 C ATOM 675 CD GLU A 176 10.678 -14.743 -7.341 1.00 0.00 C ATOM 676 OE1 GLU A 176 11.721 -14.599 -8.017 1.00 0.00 O ATOM 677 OE2 GLU A 176 10.571 -15.413 -6.291 1.00 0.00 O ATOM 0 H GLU A 176 7.575 -11.053 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 176 10.126 -12.044 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.068 -12.299 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.750 -12.537 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 176 8.661 -14.032 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 176 9.005 -14.581 -8.692 1.00 0.00 H new ATOM 684 N GLY A 177 9.258 -9.264 -7.406 1.00 0.00 N ATOM 685 CA GLY A 177 9.661 -7.900 -7.706 1.00 0.00 C ATOM 686 C GLY A 177 9.344 -7.542 -9.159 1.00 0.00 C ATOM 687 O GLY A 177 9.486 -6.389 -9.563 1.00 0.00 O ATOM 0 H GLY A 177 8.268 -9.379 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.147 -7.210 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.729 -7.784 -7.524 1.00 0.00 H new ATOM 691 N LYS A 178 8.921 -8.551 -9.905 1.00 0.00 N ATOM 692 CA LYS A 178 8.583 -8.357 -11.305 1.00 0.00 C ATOM 693 C LYS A 178 7.510 -7.274 -11.421 1.00 0.00 C ATOM 694 O LYS A 178 6.376 -7.470 -10.986 1.00 0.00 O ATOM 695 CB LYS A 178 8.188 -9.686 -11.950 1.00 0.00 C ATOM 696 CG LYS A 178 9.403 -10.603 -12.108 1.00 0.00 C ATOM 697 CD LYS A 178 9.505 -11.139 -13.536 1.00 0.00 C ATOM 698 CE LYS A 178 8.490 -12.260 -13.775 1.00 0.00 C ATOM 699 NZ LYS A 178 8.091 -12.302 -15.200 1.00 0.00 N ATOM 0 H LYS A 178 8.804 -9.506 -9.567 1.00 0.00 H new ATOM 0 HA LYS A 178 9.452 -8.006 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.432 -10.180 -11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.738 -9.501 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.311 -10.055 -11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.328 -11.435 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 178 9.332 -10.330 -14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 178 10.513 -11.512 -13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 178 8.921 -13.218 -13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 178 7.611 -12.103 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 7.402 -13.068 -15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 7.660 -11.394 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 8.930 -12.474 -15.790 1.00 0.00 H new ATOM 713 N ARG A 179 7.905 -6.154 -12.009 1.00 0.00 N ATOM 714 CA ARG A 179 6.990 -5.040 -12.187 1.00 0.00 C ATOM 715 C ARG A 179 6.219 -5.190 -13.501 1.00 0.00 C ATOM 716 O ARG A 179 6.820 -5.296 -14.568 1.00 0.00 O ATOM 717 CB ARG A 179 7.741 -3.706 -12.194 1.00 0.00 C ATOM 718 CG ARG A 179 8.995 -3.779 -11.322 1.00 0.00 C ATOM 719 CD ARG A 179 10.244 -3.414 -12.125 1.00 0.00 C ATOM 720 NE ARG A 179 11.444 -3.495 -11.262 1.00 0.00 N ATOM 721 CZ ARG A 179 12.702 -3.518 -11.722 1.00 0.00 C ATOM 722 NH1 ARG A 179 12.933 -3.465 -13.041 1.00 0.00 N ATOM 723 NH2 ARG A 179 13.729 -3.591 -10.864 1.00 0.00 N ATOM 0 H ARG A 179 8.846 -5.995 -12.368 1.00 0.00 H new ATOM 0 HA ARG A 179 6.292 -5.047 -11.350 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.019 -3.446 -13.216 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.086 -2.914 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.893 -3.101 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.101 -4.785 -10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.351 -4.089 -12.974 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.145 -2.407 -12.530 1.00 0.00 H new ATOM 0 HE ARG A 179 11.304 -3.536 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 179 12.151 -3.407 -13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 179 13.890 -3.482 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.553 -3.629 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 179 14.687 -3.608 -11.215 1.00 0.00 H new ATOM 737 N GLY A 180 4.900 -5.193 -13.379 1.00 0.00 N ATOM 738 CA GLY A 180 4.041 -5.330 -14.543 1.00 0.00 C ATOM 739 C GLY A 180 2.661 -4.721 -14.280 1.00 0.00 C ATOM 740 O GLY A 180 2.491 -3.943 -13.343 1.00 0.00 O ATOM 0 H GLY A 180 4.405 -5.103 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.502 -4.839 -15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.935 -6.384 -14.799 1.00 0.00 H new ATOM 744 N MET A 181 1.713 -5.101 -15.124 1.00 0.00 N ATOM 745 CA MET A 181 0.354 -4.603 -14.995 1.00 0.00 C ATOM 746 C MET A 181 -0.468 -5.489 -14.057 1.00 0.00 C ATOM 747 O MET A 181 -0.479 -6.711 -14.203 1.00 0.00 O ATOM 748 CB MET A 181 -0.309 -4.565 -16.373 1.00 0.00 C ATOM 749 CG MET A 181 -1.239 -3.355 -16.501 1.00 0.00 C ATOM 750 SD MET A 181 -0.399 -2.026 -17.345 1.00 0.00 S ATOM 751 CE MET A 181 -0.010 -0.974 -15.955 1.00 0.00 C ATOM 0 H MET A 181 1.859 -5.748 -15.899 1.00 0.00 H new ATOM 0 HA MET A 181 0.394 -3.599 -14.573 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.456 -4.523 -17.148 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.876 -5.482 -16.533 1.00 0.00 H new ATOM 0 HG2 MET A 181 -2.139 -3.634 -17.049 1.00 0.00 H new ATOM 0 HG3 MET A 181 -1.558 -3.025 -15.512 1.00 0.00 H new ATOM 0 HE1 MET A 181 0.359 -0.014 -16.317 1.00 0.00 H new ATOM 0 HE2 MET A 181 -0.907 -0.816 -15.356 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.756 -1.449 -15.342 1.00 0.00 H new ATOM 761 N ILE A 182 -1.136 -4.839 -13.115 1.00 0.00 N ATOM 762 CA ILE A 182 -1.959 -5.554 -12.153 1.00 0.00 C ATOM 763 C ILE A 182 -3.368 -4.957 -12.152 1.00 0.00 C ATOM 764 O ILE A 182 -3.531 -3.740 -12.083 1.00 0.00 O ATOM 765 CB ILE A 182 -1.291 -5.559 -10.776 1.00 0.00 C ATOM 766 CG1 ILE A 182 -0.045 -6.446 -10.774 1.00 0.00 C ATOM 767 CG2 ILE A 182 -2.286 -5.964 -9.687 1.00 0.00 C ATOM 768 CD1 ILE A 182 -0.389 -7.876 -11.195 1.00 0.00 C ATOM 0 H ILE A 182 -1.124 -3.826 -12.997 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.056 -6.602 -12.438 1.00 0.00 H new ATOM 0 HB ILE A 182 -0.963 -4.544 -10.551 1.00 0.00 H new ATOM 0 HG12 ILE A 182 0.701 -6.033 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 182 0.399 -6.453 -9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -1.787 -5.960 -8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -3.115 -5.257 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -2.666 -6.964 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 182 0.515 -8.486 -11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -1.117 -8.295 -10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -0.810 -7.868 -12.200 1.00 0.00 H new ATOM 780 N PRO A 183 -4.377 -5.866 -12.231 1.00 0.00 N ATOM 781 CA PRO A 183 -5.767 -5.443 -12.240 1.00 0.00 C ATOM 782 C PRO A 183 -6.217 -5.013 -10.842 1.00 0.00 C ATOM 783 O PRO A 183 -6.127 -5.788 -9.891 1.00 0.00 O ATOM 784 CB PRO A 183 -6.538 -6.639 -12.771 1.00 0.00 C ATOM 785 CG PRO A 183 -5.620 -7.837 -12.602 1.00 0.00 C ATOM 786 CD PRO A 183 -4.221 -7.316 -12.315 1.00 0.00 C ATOM 0 HA PRO A 183 -5.937 -4.567 -12.866 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.468 -6.779 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -6.806 -6.497 -13.818 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -5.966 -8.471 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -5.622 -8.449 -13.504 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -3.828 -7.727 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.524 -7.594 -13.106 1.00 0.00 H new ATOM 794 N VAL A 184 -6.693 -3.779 -10.762 1.00 0.00 N ATOM 795 CA VAL A 184 -7.158 -3.237 -9.497 1.00 0.00 C ATOM 796 C VAL A 184 -8.481 -3.904 -9.116 1.00 0.00 C ATOM 797 O VAL A 184 -8.780 -4.069 -7.935 1.00 0.00 O ATOM 798 CB VAL A 184 -7.261 -1.713 -9.587 1.00 0.00 C ATOM 799 CG1 VAL A 184 -8.157 -1.158 -8.478 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.875 -1.066 -9.547 1.00 0.00 C ATOM 0 H VAL A 184 -6.767 -3.139 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.444 -3.455 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.719 -1.464 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -8.213 -0.073 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -9.157 -1.582 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.740 -1.423 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -5.977 0.017 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.378 -1.328 -8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.281 -1.426 -10.387 1.00 0.00 H new ATOM 810 N PRO A 185 -9.258 -4.279 -10.167 1.00 0.00 N ATOM 811 CA PRO A 185 -10.542 -4.925 -9.955 1.00 0.00 C ATOM 812 C PRO A 185 -10.360 -6.382 -9.525 1.00 0.00 C ATOM 813 O PRO A 185 -11.261 -6.978 -8.939 1.00 0.00 O ATOM 814 CB PRO A 185 -11.277 -4.784 -11.278 1.00 0.00 C ATOM 815 CG PRO A 185 -10.210 -4.480 -12.317 1.00 0.00 C ATOM 816 CD PRO A 185 -8.936 -4.100 -11.580 1.00 0.00 C ATOM 0 HA PRO A 185 -11.113 -4.469 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.814 -5.700 -11.526 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.016 -3.984 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.038 -5.348 -12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.532 -3.667 -12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.101 -4.734 -11.879 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.647 -3.071 -11.793 1.00 0.00 H new ATOM 824 N TYR A 186 -9.186 -6.914 -9.835 1.00 0.00 N ATOM 825 CA TYR A 186 -8.873 -8.290 -9.489 1.00 0.00 C ATOM 826 C TYR A 186 -8.058 -8.358 -8.196 1.00 0.00 C ATOM 827 O TYR A 186 -8.028 -9.391 -7.530 1.00 0.00 O ATOM 828 CB TYR A 186 -8.024 -8.832 -10.641 1.00 0.00 C ATOM 829 CG TYR A 186 -8.834 -9.221 -11.879 1.00 0.00 C ATOM 830 CD1 TYR A 186 -9.776 -8.352 -12.389 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.622 -10.442 -12.488 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.538 -8.717 -13.556 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.383 -10.807 -13.654 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.303 -9.927 -14.130 1.00 0.00 C ATOM 835 OH TYR A 186 -11.023 -10.272 -15.231 1.00 0.00 O ATOM 0 H TYR A 186 -8.440 -6.417 -10.322 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.787 -8.865 -9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.288 -8.079 -10.922 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.471 -9.704 -10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -9.943 -7.397 -11.913 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -7.885 -11.123 -12.089 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -11.278 -8.045 -13.965 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.226 -11.759 -14.140 1.00 0.00 H new ATOM 0 HH TYR A 186 -10.749 -11.162 -15.535 1.00 0.00 H new ATOM 845 N VAL A 187 -7.418 -7.243 -7.879 1.00 0.00 N ATOM 846 CA VAL A 187 -6.605 -7.162 -6.677 1.00 0.00 C ATOM 847 C VAL A 187 -7.206 -6.125 -5.727 1.00 0.00 C ATOM 848 O VAL A 187 -7.949 -5.243 -6.155 1.00 0.00 O ATOM 849 CB VAL A 187 -5.151 -6.860 -7.047 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.751 -7.586 -8.334 1.00 0.00 C ATOM 851 CG2 VAL A 187 -4.918 -5.354 -7.172 1.00 0.00 C ATOM 0 H VAL A 187 -7.446 -6.387 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.602 -8.119 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.517 -7.231 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.713 -7.355 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.860 -8.661 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.395 -7.260 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -3.877 -5.168 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.567 -4.949 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.144 -4.871 -6.221 1.00 0.00 H new ATOM 861 N GLU A 188 -6.865 -6.265 -4.454 1.00 0.00 N ATOM 862 CA GLU A 188 -7.362 -5.350 -3.441 1.00 0.00 C ATOM 863 C GLU A 188 -6.280 -4.337 -3.063 1.00 0.00 C ATOM 864 O GLU A 188 -5.104 -4.541 -3.359 1.00 0.00 O ATOM 865 CB GLU A 188 -7.853 -6.113 -2.208 1.00 0.00 C ATOM 866 CG GLU A 188 -8.941 -5.327 -1.475 1.00 0.00 C ATOM 867 CD GLU A 188 -8.512 -5.003 -0.043 1.00 0.00 C ATOM 868 OE1 GLU A 188 -7.342 -4.595 0.121 1.00 0.00 O ATOM 869 OE2 GLU A 188 -9.364 -5.171 0.857 1.00 0.00 O ATOM 0 H GLU A 188 -6.250 -6.999 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.211 -4.807 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -8.242 -7.086 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -7.017 -6.299 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -9.152 -4.403 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.865 -5.905 -1.460 1.00 0.00 H new ATOM 876 N LYS A 189 -6.718 -3.266 -2.416 1.00 0.00 N ATOM 877 CA LYS A 189 -5.801 -2.220 -1.995 1.00 0.00 C ATOM 878 C LYS A 189 -5.263 -2.550 -0.601 1.00 0.00 C ATOM 879 O LYS A 189 -6.006 -2.512 0.379 1.00 0.00 O ATOM 880 CB LYS A 189 -6.474 -0.850 -2.086 1.00 0.00 C ATOM 881 CG LYS A 189 -5.704 0.079 -3.027 1.00 0.00 C ATOM 882 CD LYS A 189 -6.358 0.126 -4.409 1.00 0.00 C ATOM 883 CE LYS A 189 -6.101 -1.168 -5.182 1.00 0.00 C ATOM 884 NZ LYS A 189 -5.780 -0.871 -6.597 1.00 0.00 N ATOM 0 H LYS A 189 -7.695 -3.100 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.943 -2.173 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -7.498 -0.967 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.531 -0.402 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -5.668 1.083 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -4.674 -0.265 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -7.431 0.283 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -5.967 0.974 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -5.278 -1.715 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -6.980 -1.811 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -5.792 -1.753 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -6.487 -0.212 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -4.836 -0.439 -6.655 1.00 0.00 H new