USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 178:sc= -3.55! (180deg=-3.64!) USER MOD Single : A 140 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0546) USER MOD Single : A 147 SER OG : rot 72:sc= 1.24 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 55:sc= 1.12 USER MOD Single : A 159 THR OG1 : rot -80:sc= -1.27! USER MOD Single : A 164 LYS NZ :NH3+ -107:sc= -0.216 (180deg=-2.07!) USER MOD Single : A 170 THR OG1 : rot -91:sc= 0.723 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot -61:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 12.670 -10.790 3.789 1.00 0.00 N ATOM 2 CA GLY A 125 12.381 -10.269 5.154 1.00 0.00 C ATOM 3 C GLY A 125 13.165 -9.011 5.471 1.00 0.00 C ATOM 4 O GLY A 125 14.160 -9.057 6.194 1.00 0.00 O ATOM 0 HA2 GLY A 125 11.315 -10.061 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 125 12.618 -11.037 5.891 1.00 0.00 H new ATOM 10 N SER A 126 12.716 -7.884 4.928 1.00 0.00 N ATOM 11 CA SER A 126 13.383 -6.607 5.157 1.00 0.00 C ATOM 12 C SER A 126 13.197 -6.146 6.600 1.00 0.00 C ATOM 13 O SER A 126 12.258 -6.564 7.278 1.00 0.00 O ATOM 14 CB SER A 126 12.840 -5.546 4.198 1.00 0.00 C ATOM 15 OG SER A 126 13.799 -4.527 3.969 1.00 0.00 O ATOM 0 H SER A 126 11.894 -7.829 4.327 1.00 0.00 H new ATOM 0 HA SER A 126 14.449 -6.744 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 126 12.567 -6.012 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 126 11.931 -5.108 4.611 1.00 0.00 H new ATOM 0 HG SER A 126 13.429 -3.862 3.352 1.00 0.00 H new ATOM 21 N ARG A 127 14.097 -5.285 7.061 1.00 0.00 N ATOM 22 CA ARG A 127 14.032 -4.767 8.422 1.00 0.00 C ATOM 23 C ARG A 127 13.087 -3.573 8.506 1.00 0.00 C ATOM 24 O ARG A 127 11.960 -3.693 8.986 1.00 0.00 O ATOM 25 CB ARG A 127 15.427 -4.365 8.905 1.00 0.00 C ATOM 26 CG ARG A 127 16.257 -5.534 9.411 1.00 0.00 C ATOM 27 CD ARG A 127 16.212 -5.638 10.928 1.00 0.00 C ATOM 28 NE ARG A 127 15.438 -6.793 11.375 1.00 0.00 N ATOM 29 CZ ARG A 127 15.908 -8.039 11.390 1.00 0.00 C ATOM 30 NH1 ARG A 127 17.145 -8.295 10.984 1.00 0.00 N ATOM 31 NH2 ARG A 127 15.137 -9.032 11.813 1.00 0.00 N ATOM 0 H ARG A 127 14.880 -4.931 6.512 1.00 0.00 H new ATOM 0 HA ARG A 127 13.647 -5.557 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.959 -3.879 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.328 -3.629 9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.888 -6.460 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 127 17.290 -5.416 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.228 -5.710 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.777 -4.728 11.341 1.00 0.00 H new ATOM 0 HE ARG A 127 14.482 -6.636 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.742 -7.535 10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 127 17.499 -9.252 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.185 -8.841 12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.496 -9.987 11.825 1.00 0.00 H new ATOM 45 N GLU A 128 13.553 -2.420 8.036 1.00 0.00 N ATOM 46 CA GLU A 128 12.748 -1.204 8.055 1.00 0.00 C ATOM 47 C GLU A 128 11.584 -1.309 7.075 1.00 0.00 C ATOM 48 O GLU A 128 11.655 -2.041 6.089 1.00 0.00 O ATOM 49 CB GLU A 128 13.611 0.011 7.711 1.00 0.00 C ATOM 50 CG GLU A 128 14.917 0.069 8.487 1.00 0.00 C ATOM 51 CD GLU A 128 14.885 1.091 9.606 1.00 0.00 C ATOM 52 OE1 GLU A 128 14.150 0.871 10.591 1.00 0.00 O ATOM 53 OE2 GLU A 128 15.594 2.114 9.496 1.00 0.00 O ATOM 0 H GLU A 128 14.484 -2.302 7.637 1.00 0.00 H new ATOM 0 HA GLU A 128 12.345 -1.080 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.832 -0.001 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 128 13.041 0.919 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 128 15.131 -0.915 8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 128 15.731 0.309 7.803 1.00 0.00 H new ATOM 60 N VAL A 129 10.512 -0.574 7.353 1.00 0.00 N ATOM 61 CA VAL A 129 9.335 -0.587 6.496 1.00 0.00 C ATOM 62 C VAL A 129 9.422 0.496 5.432 1.00 0.00 C ATOM 63 O VAL A 129 9.546 1.680 5.748 1.00 0.00 O ATOM 64 CB VAL A 129 8.039 -0.367 7.299 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.849 -0.969 6.568 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.159 -0.946 8.702 1.00 0.00 C ATOM 0 H VAL A 129 10.435 0.038 8.166 1.00 0.00 H new ATOM 0 HA VAL A 129 9.307 -1.571 6.029 1.00 0.00 H new ATOM 0 HB VAL A 129 7.878 0.707 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.943 -0.804 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.744 -0.496 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.006 -2.040 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.230 -0.776 9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.352 -2.017 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.981 -0.460 9.227 1.00 0.00 H new ATOM 76 N ALA A 130 9.346 0.092 4.172 1.00 0.00 N ATOM 77 CA ALA A 130 9.405 1.041 3.072 1.00 0.00 C ATOM 78 C ALA A 130 8.033 1.227 2.442 1.00 0.00 C ATOM 79 O ALA A 130 7.187 0.333 2.490 1.00 0.00 O ATOM 80 CB ALA A 130 10.408 0.583 2.023 1.00 0.00 C ATOM 0 H ALA A 130 9.244 -0.882 3.888 1.00 0.00 H new ATOM 0 HA ALA A 130 9.732 2.001 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.438 1.306 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.397 0.505 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.109 -0.390 1.634 1.00 0.00 H new ATOM 86 N ALA A 131 7.823 2.390 1.844 1.00 0.00 N ATOM 87 CA ALA A 131 6.560 2.697 1.189 1.00 0.00 C ATOM 88 C ALA A 131 6.771 3.659 0.026 1.00 0.00 C ATOM 89 O ALA A 131 6.831 4.873 0.221 1.00 0.00 O ATOM 90 CB ALA A 131 5.575 3.284 2.191 1.00 0.00 C ATOM 0 H ALA A 131 8.514 3.139 1.799 1.00 0.00 H new ATOM 0 HA ALA A 131 6.147 1.770 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.635 3.509 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.396 2.564 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.988 4.200 2.614 1.00 0.00 H new ATOM 96 N MET A 132 6.889 3.117 -1.187 1.00 0.00 N ATOM 97 CA MET A 132 7.098 3.949 -2.370 1.00 0.00 C ATOM 98 C MET A 132 6.093 5.106 -2.406 1.00 0.00 C ATOM 99 O MET A 132 5.122 5.115 -1.648 1.00 0.00 O ATOM 100 CB MET A 132 7.005 3.107 -3.648 1.00 0.00 C ATOM 101 CG MET A 132 5.727 2.295 -3.768 1.00 0.00 C ATOM 102 SD MET A 132 5.530 1.555 -5.401 1.00 0.00 S ATOM 103 CE MET A 132 6.978 0.503 -5.472 1.00 0.00 C ATOM 0 H MET A 132 6.844 2.115 -1.374 1.00 0.00 H new ATOM 0 HA MET A 132 8.100 4.373 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.085 3.768 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.858 2.429 -3.686 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.728 1.508 -3.014 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.871 2.937 -3.558 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.980 -0.051 -6.411 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.877 1.117 -5.411 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.960 -0.198 -4.637 1.00 0.00 H new ATOM 113 N PRO A 133 6.323 6.108 -3.275 1.00 0.00 N ATOM 114 CA PRO A 133 5.445 7.282 -3.391 1.00 0.00 C ATOM 115 C PRO A 133 4.056 6.936 -3.910 1.00 0.00 C ATOM 116 O PRO A 133 3.048 7.366 -3.351 1.00 0.00 O ATOM 117 CB PRO A 133 6.175 8.190 -4.392 1.00 0.00 C ATOM 118 CG PRO A 133 7.568 7.659 -4.464 1.00 0.00 C ATOM 119 CD PRO A 133 7.459 6.187 -4.204 1.00 0.00 C ATOM 0 HA PRO A 133 5.275 7.744 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.694 8.164 -5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.167 9.228 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.010 7.852 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.208 8.140 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.273 5.626 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.371 5.785 -3.764 1.00 0.00 H new ATOM 127 N ALA A 134 4.009 6.163 -4.987 1.00 0.00 N ATOM 128 CA ALA A 134 2.742 5.765 -5.588 1.00 0.00 C ATOM 129 C ALA A 134 1.822 5.107 -4.563 1.00 0.00 C ATOM 130 O ALA A 134 0.655 5.478 -4.428 1.00 0.00 O ATOM 131 CB ALA A 134 3.000 4.826 -6.757 1.00 0.00 C ATOM 0 H ALA A 134 4.834 5.799 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 134 2.238 6.660 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.050 4.531 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.610 5.334 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.525 3.939 -6.402 1.00 0.00 H new ATOM 137 N ALA A 135 2.357 4.127 -3.844 1.00 0.00 N ATOM 138 CA ALA A 135 1.593 3.410 -2.832 1.00 0.00 C ATOM 139 C ALA A 135 1.280 4.307 -1.641 1.00 0.00 C ATOM 140 O ALA A 135 0.217 4.198 -1.030 1.00 0.00 O ATOM 141 CB ALA A 135 2.350 2.172 -2.388 1.00 0.00 C ATOM 0 H ALA A 135 3.321 3.810 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 135 0.644 3.102 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.771 1.643 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.512 1.518 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.313 2.465 -1.969 1.00 0.00 H new ATOM 147 N ARG A 136 2.208 5.198 -1.323 1.00 0.00 N ATOM 148 CA ARG A 136 2.029 6.124 -0.211 1.00 0.00 C ATOM 149 C ARG A 136 0.926 7.121 -0.524 1.00 0.00 C ATOM 150 O ARG A 136 0.025 7.354 0.284 1.00 0.00 O ATOM 151 CB ARG A 136 3.331 6.869 0.060 1.00 0.00 C ATOM 152 CG ARG A 136 4.108 6.320 1.239 1.00 0.00 C ATOM 153 CD ARG A 136 4.670 7.433 2.109 1.00 0.00 C ATOM 154 NE ARG A 136 4.821 7.018 3.502 1.00 0.00 N ATOM 155 CZ ARG A 136 5.885 6.375 3.976 1.00 0.00 C ATOM 156 NH1 ARG A 136 6.896 6.065 3.172 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.940 6.039 5.258 1.00 0.00 N ATOM 0 H ARG A 136 3.093 5.300 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 136 1.748 5.553 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.958 6.824 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.108 7.921 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.458 5.683 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.923 5.694 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.638 7.745 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.011 8.300 2.059 1.00 0.00 H new ATOM 0 HE ARG A 136 4.064 7.235 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.859 6.320 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.709 5.572 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.167 6.274 5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.756 5.546 5.621 1.00 0.00 H new ATOM 171 N ARG A 137 1.012 7.707 -1.709 1.00 0.00 N ATOM 172 CA ARG A 137 0.035 8.689 -2.159 1.00 0.00 C ATOM 173 C ARG A 137 -1.370 8.104 -2.149 1.00 0.00 C ATOM 174 O ARG A 137 -2.278 8.649 -1.521 1.00 0.00 O ATOM 175 CB ARG A 137 0.380 9.171 -3.566 1.00 0.00 C ATOM 176 CG ARG A 137 -0.476 10.336 -4.036 1.00 0.00 C ATOM 177 CD ARG A 137 -0.002 10.872 -5.378 1.00 0.00 C ATOM 178 NE ARG A 137 0.147 12.326 -5.364 1.00 0.00 N ATOM 179 CZ ARG A 137 1.162 12.962 -4.784 1.00 0.00 C ATOM 180 NH1 ARG A 137 2.119 12.277 -4.170 1.00 0.00 N ATOM 181 NH2 ARG A 137 1.219 14.286 -4.816 1.00 0.00 N ATOM 0 H ARG A 137 1.755 7.518 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 137 0.065 9.533 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.429 9.467 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.265 8.342 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.515 10.016 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.446 11.134 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.952 10.412 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.713 10.588 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.569 12.886 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.079 11.258 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.895 12.769 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 137 0.485 14.817 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.997 14.774 -4.372 1.00 0.00 H new ATOM 195 N LEU A 138 -1.542 6.989 -2.848 1.00 0.00 N ATOM 196 CA LEU A 138 -2.830 6.330 -2.920 1.00 0.00 C ATOM 197 C LEU A 138 -3.277 5.877 -1.537 1.00 0.00 C ATOM 198 O LEU A 138 -4.443 6.000 -1.184 1.00 0.00 O ATOM 199 CB LEU A 138 -2.743 5.138 -3.867 1.00 0.00 C ATOM 200 CG LEU A 138 -1.868 3.994 -3.380 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.644 3.097 -2.436 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.341 3.202 -4.561 1.00 0.00 C ATOM 0 H LEU A 138 -0.801 6.525 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.568 7.036 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.749 4.757 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.362 5.483 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.020 4.408 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.002 2.284 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.979 3.677 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.509 2.685 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.715 2.385 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.178 2.795 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.750 3.856 -5.203 1.00 0.00 H new ATOM 214 N ALA A 139 -2.340 5.346 -0.755 1.00 0.00 N ATOM 215 CA ALA A 139 -2.646 4.871 0.590 1.00 0.00 C ATOM 216 C ALA A 139 -3.293 5.973 1.423 1.00 0.00 C ATOM 217 O ALA A 139 -4.222 5.720 2.192 1.00 0.00 O ATOM 218 CB ALA A 139 -1.383 4.364 1.271 1.00 0.00 C ATOM 0 H ALA A 139 -1.364 5.234 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.355 4.047 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.626 4.013 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.962 3.543 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.655 5.173 1.337 1.00 0.00 H new ATOM 224 N LYS A 140 -2.796 7.195 1.259 1.00 0.00 N ATOM 225 CA LYS A 140 -3.324 8.341 1.990 1.00 0.00 C ATOM 226 C LYS A 140 -4.643 8.812 1.385 1.00 0.00 C ATOM 227 O LYS A 140 -5.519 9.308 2.093 1.00 0.00 O ATOM 228 CB LYS A 140 -2.309 9.486 1.984 1.00 0.00 C ATOM 229 CG LYS A 140 -1.176 9.300 2.981 1.00 0.00 C ATOM 230 CD LYS A 140 -0.857 10.592 3.715 1.00 0.00 C ATOM 231 CE LYS A 140 0.523 10.548 4.349 1.00 0.00 C ATOM 232 NZ LYS A 140 1.606 10.704 3.338 1.00 0.00 N ATOM 0 H LYS A 140 -2.028 7.417 0.626 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.508 8.032 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.889 9.583 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.826 10.420 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.448 8.529 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -0.286 8.948 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.912 11.430 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.607 10.768 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.605 11.340 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.651 9.602 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.516 10.838 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.652 9.851 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.407 11.531 2.740 1.00 0.00 H new ATOM 246 N GLU A 141 -4.780 8.654 0.071 1.00 0.00 N ATOM 247 CA GLU A 141 -5.998 9.062 -0.624 1.00 0.00 C ATOM 248 C GLU A 141 -7.098 8.013 -0.465 1.00 0.00 C ATOM 249 O GLU A 141 -8.280 8.302 -0.652 1.00 0.00 O ATOM 250 CB GLU A 141 -5.704 9.300 -2.109 1.00 0.00 C ATOM 251 CG GLU A 141 -6.937 9.645 -2.929 1.00 0.00 C ATOM 252 CD GLU A 141 -6.611 10.502 -4.137 1.00 0.00 C ATOM 253 OE1 GLU A 141 -6.454 11.729 -3.969 1.00 0.00 O ATOM 254 OE2 GLU A 141 -6.515 9.945 -5.251 1.00 0.00 O ATOM 0 H GLU A 141 -4.065 8.248 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.349 9.992 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.979 10.109 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.240 8.406 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.418 8.725 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.654 10.170 -2.298 1.00 0.00 H new ATOM 261 N LEU A 142 -6.696 6.795 -0.118 1.00 0.00 N ATOM 262 CA LEU A 142 -7.627 5.693 0.069 1.00 0.00 C ATOM 263 C LEU A 142 -7.958 5.516 1.546 1.00 0.00 C ATOM 264 O LEU A 142 -9.041 5.049 1.902 1.00 0.00 O ATOM 265 CB LEU A 142 -7.016 4.402 -0.478 1.00 0.00 C ATOM 266 CG LEU A 142 -7.120 4.221 -1.994 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.810 3.694 -2.563 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.266 3.281 -2.337 1.00 0.00 C ATOM 0 H LEU A 142 -5.719 6.547 0.040 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.546 5.920 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.964 4.369 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.502 3.555 0.007 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.321 5.193 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.905 3.572 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -5.009 4.401 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.577 2.731 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.328 3.162 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.091 2.310 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.202 3.697 -1.964 1.00 0.00 H new ATOM 280 N GLY A 143 -7.011 5.886 2.402 1.00 0.00 N ATOM 281 CA GLY A 143 -7.209 5.756 3.832 1.00 0.00 C ATOM 282 C GLY A 143 -6.968 4.341 4.311 1.00 0.00 C ATOM 283 O GLY A 143 -7.725 3.815 5.126 1.00 0.00 O ATOM 0 H GLY A 143 -6.108 6.274 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.536 6.435 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.225 6.057 4.086 1.00 0.00 H new ATOM 287 N ILE A 144 -5.912 3.724 3.796 1.00 0.00 N ATOM 288 CA ILE A 144 -5.569 2.359 4.167 1.00 0.00 C ATOM 289 C ILE A 144 -4.207 2.302 4.856 1.00 0.00 C ATOM 290 O ILE A 144 -3.220 2.836 4.346 1.00 0.00 O ATOM 291 CB ILE A 144 -5.569 1.436 2.927 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.859 -0.013 3.335 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.249 1.540 2.170 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.651 -0.765 3.850 1.00 0.00 C ATOM 0 H ILE A 144 -5.278 4.149 3.119 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.327 2.008 4.867 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.363 1.764 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.630 -0.014 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.266 -0.546 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.274 0.881 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.098 2.568 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.429 1.245 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.941 -1.781 4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.885 -0.798 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.255 -0.258 4.730 1.00 0.00 H new ATOM 306 N ASP A 145 -4.159 1.654 6.013 1.00 0.00 N ATOM 307 CA ASP A 145 -2.917 1.530 6.767 1.00 0.00 C ATOM 308 C ASP A 145 -1.834 0.865 5.923 1.00 0.00 C ATOM 309 O ASP A 145 -1.818 -0.355 5.767 1.00 0.00 O ATOM 310 CB ASP A 145 -3.149 0.715 8.041 1.00 0.00 C ATOM 311 CG ASP A 145 -2.165 1.065 9.138 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.302 2.155 9.734 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.256 0.251 9.403 1.00 0.00 O ATOM 0 H ASP A 145 -4.965 1.206 6.450 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.584 2.532 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.164 0.887 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.068 -0.347 7.809 1.00 0.00 H new ATOM 318 N ALA A 146 -0.926 1.672 5.383 1.00 0.00 N ATOM 319 CA ALA A 146 0.159 1.149 4.562 1.00 0.00 C ATOM 320 C ALA A 146 1.012 0.168 5.357 1.00 0.00 C ATOM 321 O ALA A 146 1.394 -0.887 4.852 1.00 0.00 O ATOM 322 CB ALA A 146 1.014 2.282 4.019 1.00 0.00 C ATOM 0 H ALA A 146 -0.920 2.685 5.499 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.279 0.615 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.818 1.871 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.398 2.943 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.440 2.846 4.849 1.00 0.00 H new ATOM 328 N SER A 147 1.297 0.515 6.609 1.00 0.00 N ATOM 329 CA SER A 147 2.095 -0.348 7.473 1.00 0.00 C ATOM 330 C SER A 147 1.445 -1.718 7.582 1.00 0.00 C ATOM 331 O SER A 147 2.101 -2.743 7.396 1.00 0.00 O ATOM 332 CB SER A 147 2.256 0.277 8.861 1.00 0.00 C ATOM 333 OG SER A 147 1.300 1.302 9.075 1.00 0.00 O ATOM 0 H SER A 147 0.989 1.384 7.046 1.00 0.00 H new ATOM 0 HA SER A 147 3.086 -0.461 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.145 -0.493 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.261 0.686 8.964 1.00 0.00 H new ATOM 0 HG SER A 147 0.412 0.903 9.185 1.00 0.00 H new ATOM 339 N LYS A 148 0.144 -1.731 7.855 1.00 0.00 N ATOM 340 CA LYS A 148 -0.589 -2.982 7.949 1.00 0.00 C ATOM 341 C LYS A 148 -0.464 -3.741 6.628 1.00 0.00 C ATOM 342 O LYS A 148 -0.526 -4.970 6.592 1.00 0.00 O ATOM 343 CB LYS A 148 -2.058 -2.716 8.311 1.00 0.00 C ATOM 344 CG LYS A 148 -3.022 -2.797 7.137 1.00 0.00 C ATOM 345 CD LYS A 148 -3.422 -4.234 6.859 1.00 0.00 C ATOM 346 CE LYS A 148 -4.796 -4.552 7.431 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.848 -5.913 8.031 1.00 0.00 N ATOM 0 H LYS A 148 -0.418 -0.895 8.013 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.165 -3.597 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.368 -3.435 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.135 -1.726 8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.911 -2.203 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.557 -2.367 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.425 -4.410 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.682 -4.908 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.054 -3.812 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.544 -4.475 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.801 -6.090 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.627 -6.622 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.152 -5.980 8.801 1.00 0.00 H new ATOM 361 N VAL A 149 -0.261 -2.986 5.547 1.00 0.00 N ATOM 362 CA VAL A 149 -0.094 -3.563 4.222 1.00 0.00 C ATOM 363 C VAL A 149 1.360 -3.974 4.007 1.00 0.00 C ATOM 364 O VAL A 149 2.158 -3.210 3.468 1.00 0.00 O ATOM 365 CB VAL A 149 -0.514 -2.558 3.126 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.053 -3.014 1.747 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.018 -2.349 3.147 1.00 0.00 C ATOM 0 H VAL A 149 -0.209 -1.968 5.569 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.734 -4.443 4.153 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.027 -1.607 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.365 -2.285 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.033 -3.102 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.497 -3.982 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.297 -1.638 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.520 -3.300 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.318 -1.959 4.120 1.00 0.00 H new ATOM 377 N LYS A 150 1.699 -5.183 4.442 1.00 0.00 N ATOM 378 CA LYS A 150 3.056 -5.701 4.311 1.00 0.00 C ATOM 379 C LYS A 150 3.574 -5.561 2.883 1.00 0.00 C ATOM 380 O LYS A 150 3.306 -6.403 2.027 1.00 0.00 O ATOM 381 CB LYS A 150 3.089 -7.169 4.728 1.00 0.00 C ATOM 382 CG LYS A 150 4.473 -7.789 4.678 1.00 0.00 C ATOM 383 CD LYS A 150 4.626 -8.871 5.732 1.00 0.00 C ATOM 384 CE LYS A 150 4.570 -10.261 5.118 1.00 0.00 C ATOM 385 NZ LYS A 150 3.794 -11.210 5.962 1.00 0.00 N ATOM 0 H LYS A 150 1.047 -5.826 4.891 1.00 0.00 H new ATOM 0 HA LYS A 150 3.704 -5.115 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.698 -7.258 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.423 -7.737 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.649 -8.213 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.227 -7.017 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.574 -8.741 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.836 -8.769 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.118 -10.203 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 150 5.583 -10.640 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 3.780 -12.146 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 4.240 -11.286 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.820 -10.862 6.069 1.00 0.00 H new ATOM 399 N GLY A 151 4.321 -4.489 2.638 1.00 0.00 N ATOM 400 CA GLY A 151 4.871 -4.252 1.317 1.00 0.00 C ATOM 401 C GLY A 151 5.971 -5.229 0.955 1.00 0.00 C ATOM 402 O GLY A 151 6.797 -5.584 1.795 1.00 0.00 O ATOM 0 H GLY A 151 4.555 -3.780 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.072 -4.321 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.263 -3.236 1.269 1.00 0.00 H new ATOM 406 N THR A 152 5.982 -5.664 -0.302 1.00 0.00 N ATOM 407 CA THR A 152 6.993 -6.607 -0.776 1.00 0.00 C ATOM 408 C THR A 152 7.831 -5.993 -1.899 1.00 0.00 C ATOM 409 O THR A 152 8.553 -6.699 -2.603 1.00 0.00 O ATOM 410 CB THR A 152 6.330 -7.913 -1.250 1.00 0.00 C ATOM 411 OG1 THR A 152 6.628 -8.176 -2.612 1.00 0.00 O ATOM 412 CG2 THR A 152 4.823 -7.912 -1.111 1.00 0.00 C ATOM 0 H THR A 152 5.305 -5.380 -1.010 1.00 0.00 H new ATOM 0 HA THR A 152 7.659 -6.837 0.056 1.00 0.00 H new ATOM 0 HB THR A 152 6.742 -8.684 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.599 -8.171 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.424 -8.863 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.554 -7.772 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.403 -7.100 -1.705 1.00 0.00 H new ATOM 420 N GLY A 153 7.733 -4.677 -2.062 1.00 0.00 N ATOM 421 CA GLY A 153 8.485 -4.000 -3.102 1.00 0.00 C ATOM 422 C GLY A 153 9.972 -3.929 -2.800 1.00 0.00 C ATOM 423 O GLY A 153 10.380 -4.088 -1.650 1.00 0.00 O ATOM 0 H GLY A 153 7.146 -4.068 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.335 -4.519 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.095 -2.990 -3.227 1.00 0.00 H new ATOM 427 N PRO A 154 10.809 -3.680 -3.825 1.00 0.00 N ATOM 428 CA PRO A 154 12.266 -3.589 -3.675 1.00 0.00 C ATOM 429 C PRO A 154 12.687 -2.760 -2.467 1.00 0.00 C ATOM 430 O PRO A 154 12.673 -1.530 -2.507 1.00 0.00 O ATOM 431 CB PRO A 154 12.732 -2.916 -4.978 1.00 0.00 C ATOM 432 CG PRO A 154 11.487 -2.557 -5.728 1.00 0.00 C ATOM 433 CD PRO A 154 10.405 -3.461 -5.214 1.00 0.00 C ATOM 0 HA PRO A 154 12.708 -4.571 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 154 13.329 -2.029 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.358 -3.590 -5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.226 -1.511 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.628 -2.691 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.421 -2.996 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 154 10.356 -4.395 -5.774 1.00 0.00 H new ATOM 441 N GLY A 155 13.068 -3.446 -1.395 1.00 0.00 N ATOM 442 CA GLY A 155 13.493 -2.763 -0.189 1.00 0.00 C ATOM 443 C GLY A 155 12.377 -2.653 0.831 1.00 0.00 C ATOM 444 O GLY A 155 12.385 -1.757 1.674 1.00 0.00 O ATOM 0 H GLY A 155 13.090 -4.464 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.334 -3.298 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.849 -1.765 -0.445 1.00 0.00 H new ATOM 448 N GLY A 156 11.415 -3.566 0.751 1.00 0.00 N ATOM 449 CA GLY A 156 10.301 -3.549 1.676 1.00 0.00 C ATOM 450 C GLY A 156 9.323 -2.427 1.391 1.00 0.00 C ATOM 451 O GLY A 156 8.582 -2.010 2.280 1.00 0.00 O ATOM 0 H GLY A 156 11.388 -4.317 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.777 -4.504 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.680 -3.446 2.693 1.00 0.00 H new ATOM 455 N VAL A 157 9.320 -1.923 0.157 1.00 0.00 N ATOM 456 CA VAL A 157 8.422 -0.835 -0.199 1.00 0.00 C ATOM 457 C VAL A 157 7.053 -1.366 -0.603 1.00 0.00 C ATOM 458 O VAL A 157 6.941 -2.174 -1.523 1.00 0.00 O ATOM 459 CB VAL A 157 8.987 0.062 -1.341 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.475 -0.151 -1.540 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.255 -0.157 -2.661 1.00 0.00 C ATOM 0 H VAL A 157 9.921 -2.248 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 157 8.326 -0.218 0.694 1.00 0.00 H new ATOM 0 HB VAL A 157 8.821 1.092 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.830 0.493 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.004 0.094 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.662 -1.193 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.684 0.490 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.359 -1.198 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.199 0.081 -2.535 1.00 0.00 H new ATOM 471 N ILE A 158 6.007 -0.893 0.065 1.00 0.00 N ATOM 472 CA ILE A 158 4.665 -1.322 -0.282 1.00 0.00 C ATOM 473 C ILE A 158 4.364 -0.873 -1.700 1.00 0.00 C ATOM 474 O ILE A 158 4.274 0.319 -1.984 1.00 0.00 O ATOM 475 CB ILE A 158 3.600 -0.781 0.694 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.559 0.746 0.690 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.870 -1.292 2.100 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.248 1.297 1.198 1.00 0.00 C ATOM 0 H ILE A 158 6.063 -0.226 0.834 1.00 0.00 H new ATOM 0 HA ILE A 158 4.623 -2.409 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 158 2.628 -1.143 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.372 1.128 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.731 1.107 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.112 -0.904 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.837 -2.381 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.855 -0.958 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.277 2.386 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.434 0.941 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.085 0.962 2.223 1.00 0.00 H new ATOM 490 N THR A 159 4.261 -1.832 -2.601 1.00 0.00 N ATOM 491 CA THR A 159 4.027 -1.520 -3.998 1.00 0.00 C ATOM 492 C THR A 159 2.588 -1.104 -4.241 1.00 0.00 C ATOM 493 O THR A 159 1.686 -1.432 -3.472 1.00 0.00 O ATOM 494 CB THR A 159 4.404 -2.709 -4.876 1.00 0.00 C ATOM 495 OG1 THR A 159 3.638 -3.852 -4.538 1.00 0.00 O ATOM 496 CG2 THR A 159 5.867 -3.079 -4.758 1.00 0.00 C ATOM 0 H THR A 159 4.335 -2.828 -2.392 1.00 0.00 H new ATOM 0 HA THR A 159 4.661 -0.674 -4.265 1.00 0.00 H new ATOM 0 HB THR A 159 4.199 -2.397 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.018 -4.277 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.080 -3.931 -5.404 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.482 -2.232 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.094 -3.341 -3.725 1.00 0.00 H new ATOM 504 N VAL A 160 2.386 -0.360 -5.314 1.00 0.00 N ATOM 505 CA VAL A 160 1.060 0.124 -5.662 1.00 0.00 C ATOM 506 C VAL A 160 0.067 -1.023 -5.747 1.00 0.00 C ATOM 507 O VAL A 160 -1.056 -0.927 -5.255 1.00 0.00 O ATOM 508 CB VAL A 160 1.047 0.902 -6.993 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.140 2.096 -6.853 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.445 1.344 -7.407 1.00 0.00 C ATOM 0 H VAL A 160 3.123 -0.077 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 160 0.767 0.807 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 160 0.677 0.240 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.124 2.653 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.869 1.760 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.507 2.740 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.390 1.888 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.865 1.992 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.082 0.468 -7.530 1.00 0.00 H new ATOM 520 N GLU A 161 0.500 -2.113 -6.358 1.00 0.00 N ATOM 521 CA GLU A 161 -0.337 -3.293 -6.497 1.00 0.00 C ATOM 522 C GLU A 161 -0.652 -3.871 -5.123 1.00 0.00 C ATOM 523 O GLU A 161 -1.691 -4.503 -4.923 1.00 0.00 O ATOM 524 CB GLU A 161 0.360 -4.344 -7.363 1.00 0.00 C ATOM 525 CG GLU A 161 0.463 -3.954 -8.828 1.00 0.00 C ATOM 526 CD GLU A 161 1.670 -4.566 -9.512 1.00 0.00 C ATOM 527 OE1 GLU A 161 2.007 -5.726 -9.193 1.00 0.00 O ATOM 528 OE2 GLU A 161 2.278 -3.886 -10.364 1.00 0.00 O ATOM 0 H GLU A 161 1.430 -2.205 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.269 -3.006 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.362 -4.519 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.183 -5.286 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.442 -4.268 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.517 -2.868 -8.908 1.00 0.00 H new ATOM 535 N ASP A 162 0.255 -3.639 -4.179 1.00 0.00 N ATOM 536 CA ASP A 162 0.083 -4.126 -2.818 1.00 0.00 C ATOM 537 C ASP A 162 -1.044 -3.374 -2.120 1.00 0.00 C ATOM 538 O ASP A 162 -1.923 -3.980 -1.504 1.00 0.00 O ATOM 539 CB ASP A 162 1.382 -3.965 -2.021 1.00 0.00 C ATOM 540 CG ASP A 162 2.434 -4.992 -2.393 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.067 -6.038 -2.968 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.628 -4.748 -2.106 1.00 0.00 O ATOM 0 H ASP A 162 1.117 -3.116 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.174 -5.184 -2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.783 -2.965 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.162 -4.047 -0.957 1.00 0.00 H new ATOM 547 N VAL A 163 -1.013 -2.050 -2.223 1.00 0.00 N ATOM 548 CA VAL A 163 -2.037 -1.218 -1.599 1.00 0.00 C ATOM 549 C VAL A 163 -3.355 -1.315 -2.361 1.00 0.00 C ATOM 550 O VAL A 163 -4.426 -1.356 -1.760 1.00 0.00 O ATOM 551 CB VAL A 163 -1.639 0.276 -1.515 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.957 0.837 -0.136 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.175 0.507 -1.862 1.00 0.00 C ATOM 0 H VAL A 163 -0.295 -1.532 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.147 -1.603 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.231 0.807 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.670 1.888 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.026 0.745 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.403 0.281 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.053 1.570 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.456 -0.048 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.016 0.165 -2.879 1.00 0.00 H new ATOM 563 N LYS A 164 -3.271 -1.339 -3.688 1.00 0.00 N ATOM 564 CA LYS A 164 -4.461 -1.421 -4.526 1.00 0.00 C ATOM 565 C LYS A 164 -5.261 -2.684 -4.223 1.00 0.00 C ATOM 566 O LYS A 164 -6.478 -2.634 -4.046 1.00 0.00 O ATOM 567 CB LYS A 164 -4.069 -1.363 -6.008 1.00 0.00 C ATOM 568 CG LYS A 164 -4.200 -2.687 -6.742 1.00 0.00 C ATOM 569 CD LYS A 164 -3.811 -2.557 -8.205 1.00 0.00 C ATOM 570 CE LYS A 164 -4.074 -3.847 -8.967 1.00 0.00 C ATOM 571 NZ LYS A 164 -2.925 -4.791 -8.874 1.00 0.00 N ATOM 0 H LYS A 164 -2.392 -1.303 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.099 -0.566 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.692 -0.621 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.038 -1.018 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.568 -3.434 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.227 -3.044 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.373 -1.742 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.755 -2.297 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.970 -4.326 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.271 -3.617 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -2.425 -4.821 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -2.272 -4.470 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -3.275 -5.742 -8.640 1.00 0.00 H new ATOM 585 N ARG A 165 -4.569 -3.813 -4.177 1.00 0.00 N ATOM 586 CA ARG A 165 -5.215 -5.094 -3.910 1.00 0.00 C ATOM 587 C ARG A 165 -5.672 -5.199 -2.456 1.00 0.00 C ATOM 588 O ARG A 165 -6.747 -5.729 -2.171 1.00 0.00 O ATOM 589 CB ARG A 165 -4.271 -6.249 -4.249 1.00 0.00 C ATOM 590 CG ARG A 165 -3.052 -6.334 -3.348 1.00 0.00 C ATOM 591 CD ARG A 165 -3.283 -7.282 -2.183 1.00 0.00 C ATOM 592 NE ARG A 165 -2.040 -7.890 -1.716 1.00 0.00 N ATOM 593 CZ ARG A 165 -1.990 -8.954 -0.915 1.00 0.00 C ATOM 594 NH1 ARG A 165 -3.109 -9.530 -0.494 1.00 0.00 N ATOM 595 NH2 ARG A 165 -0.818 -9.442 -0.534 1.00 0.00 N ATOM 0 H ARG A 165 -3.561 -3.870 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.098 -5.157 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.823 -7.187 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -3.940 -6.143 -5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.193 -6.672 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -2.810 -5.342 -2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -3.752 -6.740 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -3.978 -8.065 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 165 -1.159 -7.476 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -4.014 -9.159 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -3.064 -10.344 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 165 0.045 -9.003 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -0.780 -10.256 0.079 1.00 0.00 H new ATOM 609 N TRP A 166 -4.852 -4.700 -1.537 1.00 0.00 N ATOM 610 CA TRP A 166 -5.179 -4.754 -0.116 1.00 0.00 C ATOM 611 C TRP A 166 -6.349 -3.834 0.228 1.00 0.00 C ATOM 612 O TRP A 166 -7.281 -4.238 0.922 1.00 0.00 O ATOM 613 CB TRP A 166 -3.958 -4.377 0.725 1.00 0.00 C ATOM 614 CG TRP A 166 -3.986 -4.968 2.100 1.00 0.00 C ATOM 615 CD1 TRP A 166 -4.957 -4.801 3.044 1.00 0.00 C ATOM 616 CD2 TRP A 166 -2.997 -5.823 2.685 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.636 -5.503 4.180 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.437 -6.137 3.985 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.785 -6.354 2.235 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.706 -6.959 4.840 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.060 -7.169 3.085 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.522 -7.464 4.373 1.00 0.00 C ATOM 0 H TRP A 166 -3.959 -4.255 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.475 -5.777 0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.055 -4.708 0.212 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -3.900 -3.291 0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.848 -4.204 2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.198 -5.545 5.030 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.422 -6.132 1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.060 -7.189 5.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.121 -7.585 2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -0.932 -8.104 5.012 1.00 0.00 H new ATOM 633 N ALA A 167 -6.289 -2.598 -0.253 1.00 0.00 N ATOM 634 CA ALA A 167 -7.339 -1.623 0.014 1.00 0.00 C ATOM 635 C ALA A 167 -8.639 -1.992 -0.693 1.00 0.00 C ATOM 636 O ALA A 167 -9.722 -1.863 -0.123 1.00 0.00 O ATOM 637 CB ALA A 167 -6.883 -0.234 -0.403 1.00 0.00 C ATOM 0 H ALA A 167 -5.524 -2.247 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.535 -1.626 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.676 0.486 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -5.990 0.040 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.656 -0.230 -1.469 1.00 0.00 H new ATOM 643 N GLU A 168 -8.528 -2.447 -1.937 1.00 0.00 N ATOM 644 CA GLU A 168 -9.704 -2.828 -2.711 1.00 0.00 C ATOM 645 C GLU A 168 -10.408 -4.024 -2.078 1.00 0.00 C ATOM 646 O GLU A 168 -11.635 -4.065 -1.998 1.00 0.00 O ATOM 647 CB GLU A 168 -9.315 -3.147 -4.158 1.00 0.00 C ATOM 648 CG GLU A 168 -8.598 -4.476 -4.325 1.00 0.00 C ATOM 649 CD GLU A 168 -8.211 -4.753 -5.765 1.00 0.00 C ATOM 650 OE1 GLU A 168 -8.155 -3.790 -6.560 1.00 0.00 O ATOM 651 OE2 GLU A 168 -7.963 -5.931 -6.098 1.00 0.00 O ATOM 0 H GLU A 168 -7.641 -2.560 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.395 -1.985 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.215 -3.151 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.674 -2.350 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.702 -4.482 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.241 -5.279 -3.964 1.00 0.00 H new ATOM 658 N GLU A 169 -9.621 -4.994 -1.626 1.00 0.00 N ATOM 659 CA GLU A 169 -10.167 -6.192 -0.998 1.00 0.00 C ATOM 660 C GLU A 169 -11.008 -5.833 0.223 1.00 0.00 C ATOM 661 O GLU A 169 -11.970 -6.526 0.553 1.00 0.00 O ATOM 662 CB GLU A 169 -9.038 -7.142 -0.594 1.00 0.00 C ATOM 663 CG GLU A 169 -8.713 -8.186 -1.650 1.00 0.00 C ATOM 664 CD GLU A 169 -8.269 -9.505 -1.050 1.00 0.00 C ATOM 665 OE1 GLU A 169 -8.716 -9.828 0.070 1.00 0.00 O ATOM 666 OE2 GLU A 169 -7.473 -10.215 -1.700 1.00 0.00 O ATOM 0 H GLU A 169 -8.603 -4.974 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.809 -6.691 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.141 -6.559 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.314 -7.647 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.592 -8.352 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.927 -7.805 -2.302 1.00 0.00 H new ATOM 673 N THR A 170 -10.639 -4.744 0.889 1.00 0.00 N ATOM 674 CA THR A 170 -11.355 -4.288 2.069 1.00 0.00 C ATOM 675 C THR A 170 -12.714 -3.713 1.685 1.00 0.00 C ATOM 676 O THR A 170 -13.744 -4.106 2.231 1.00 0.00 O ATOM 677 CB THR A 170 -10.532 -3.235 2.809 1.00 0.00 C ATOM 678 OG1 THR A 170 -10.648 -1.972 2.177 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.059 -3.573 2.895 1.00 0.00 C ATOM 0 H THR A 170 -9.844 -4.160 0.628 1.00 0.00 H new ATOM 0 HA THR A 170 -11.514 -5.143 2.727 1.00 0.00 H new ATOM 0 HB THR A 170 -10.940 -3.210 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 170 -9.931 -1.870 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.535 -2.783 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.933 -4.517 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.647 -3.662 1.890 1.00 0.00 H new ATOM 687 N ALA A 171 -12.706 -2.785 0.733 1.00 0.00 N ATOM 688 CA ALA A 171 -13.938 -2.163 0.267 1.00 0.00 C ATOM 689 C ALA A 171 -14.771 -3.159 -0.530 1.00 0.00 C ATOM 690 O ALA A 171 -15.999 -3.074 -0.563 1.00 0.00 O ATOM 691 CB ALA A 171 -13.623 -0.937 -0.577 1.00 0.00 C ATOM 0 H ALA A 171 -11.861 -2.449 0.271 1.00 0.00 H new ATOM 0 HA ALA A 171 -14.517 -1.848 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -14.553 -0.482 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.065 -0.217 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.025 -1.233 -1.439 1.00 0.00 H new ATOM 697 N LYS A 172 -14.091 -4.106 -1.168 1.00 0.00 N ATOM 698 CA LYS A 172 -14.758 -5.127 -1.963 1.00 0.00 C ATOM 699 C LYS A 172 -15.639 -6.007 -1.081 1.00 0.00 C ATOM 700 O LYS A 172 -16.672 -6.511 -1.521 1.00 0.00 O ATOM 701 CB LYS A 172 -13.723 -5.987 -2.690 1.00 0.00 C ATOM 702 CG LYS A 172 -13.439 -5.525 -4.110 1.00 0.00 C ATOM 703 CD LYS A 172 -13.224 -6.704 -5.048 1.00 0.00 C ATOM 704 CE LYS A 172 -13.627 -6.362 -6.473 1.00 0.00 C ATOM 705 NZ LYS A 172 -12.681 -6.937 -7.470 1.00 0.00 N ATOM 0 H LYS A 172 -13.074 -4.186 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.390 -4.631 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.793 -5.980 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -14.073 -7.019 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -14.271 -4.919 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -12.555 -4.888 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -12.175 -7.001 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -13.804 -7.558 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -14.632 -6.738 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -13.664 -5.279 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -12.990 -6.682 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -11.727 -6.559 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -12.664 -7.973 -7.376 1.00 0.00 H new ATOM 719 N ALA A 173 -15.220 -6.186 0.168 1.00 0.00 N ATOM 720 CA ALA A 173 -15.967 -7.003 1.117 1.00 0.00 C ATOM 721 C ALA A 173 -17.269 -6.322 1.522 1.00 0.00 C ATOM 722 O ALA A 173 -18.265 -6.985 1.811 1.00 0.00 O ATOM 723 CB ALA A 173 -15.113 -7.293 2.343 1.00 0.00 C ATOM 0 H ALA A 173 -14.366 -5.776 0.546 1.00 0.00 H new ATOM 0 HA ALA A 173 -16.220 -7.946 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.680 -7.904 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -14.213 -7.829 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.833 -6.355 2.822 1.00 0.00 H new ATOM 729 N THR A 174 -17.256 -4.992 1.541 1.00 0.00 N ATOM 730 CA THR A 174 -18.437 -4.222 1.911 1.00 0.00 C ATOM 731 C THR A 174 -19.448 -4.194 0.770 1.00 0.00 C ATOM 732 O THR A 174 -20.546 -4.739 0.887 1.00 0.00 O ATOM 733 CB THR A 174 -18.041 -2.794 2.291 1.00 0.00 C ATOM 734 OG1 THR A 174 -17.497 -2.110 1.176 1.00 0.00 O ATOM 735 CG2 THR A 174 -17.022 -2.732 3.409 1.00 0.00 C ATOM 0 H THR A 174 -16.441 -4.427 1.304 1.00 0.00 H new ATOM 0 HA THR A 174 -18.900 -4.705 2.771 1.00 0.00 H new ATOM 0 HB THR A 174 -18.962 -2.322 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 174 -16.688 -2.572 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 174 -16.786 -1.691 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 174 -17.431 -3.207 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 174 -16.115 -3.253 3.104 1.00 0.00 H new ATOM 743 N ALA A 175 -19.071 -3.556 -0.334 1.00 0.00 N ATOM 744 CA ALA A 175 -19.945 -3.458 -1.496 1.00 0.00 C ATOM 745 C ALA A 175 -19.204 -2.871 -2.692 1.00 0.00 C ATOM 746 O ALA A 175 -18.607 -1.784 -2.543 1.00 0.00 O ATOM 747 CB ALA A 175 -21.168 -2.616 -1.166 1.00 0.00 C ATOM 748 OXT ALA A 175 -19.224 -3.505 -3.769 1.00 0.00 O ATOM 0 H ALA A 175 -18.166 -3.099 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 175 -20.270 -4.464 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -21.812 -2.551 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -21.717 -3.078 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -20.852 -1.615 -0.873 1.00 0.00 H new TER 754 ALA A 175