USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 452 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 150 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 164 MET CE :methyl -162:sc= -1.85 (180deg=-3.18!) USER MOD Set 2.1: A 136 GLN : amide:sc= -0.157 X(o=-0.14,f=-0.4) USER MOD Set 2.2: A 148 THR OG1 : rot 107:sc= 0.014 USER MOD Single : A 128 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.3!) USER MOD Single : A 141 SER OG : rot -31:sc= -0.589! USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 155 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.16) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -22:sc= 0.576 USER MOD Single : A 179 SER OG : rot -38:sc= 0.315 USER MOD Single : A 180 GLN : amide:sc= -0.739 K(o=-0.74,f=-3.6!) USER MOD Single : A 183 LYS NZ :NH3+ -113:sc= 0.00469 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -10.968 -16.010 -4.628 1.00 0.00 N ATOM 2 CA ALA A 127 -9.906 -15.124 -5.171 1.00 0.00 C ATOM 3 C ALA A 127 -8.783 -14.931 -4.160 1.00 0.00 C ATOM 4 O ALA A 127 -8.964 -15.165 -2.964 1.00 0.00 O ATOM 5 CB ALA A 127 -10.495 -13.780 -5.569 1.00 0.00 C ATOM 0 HA ALA A 127 -9.485 -15.602 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.707 -13.140 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.259 -13.929 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.942 -13.306 -4.695 1.00 0.00 H new ATOM 13 N GLN A 128 -7.623 -14.500 -4.644 1.00 0.00 N ATOM 14 CA GLN A 128 -6.470 -14.273 -3.781 1.00 0.00 C ATOM 15 C GLN A 128 -6.207 -12.782 -3.604 1.00 0.00 C ATOM 16 O GLN A 128 -6.490 -11.982 -4.496 1.00 0.00 O ATOM 17 CB GLN A 128 -5.230 -14.956 -4.360 1.00 0.00 C ATOM 18 CG GLN A 128 -5.450 -16.420 -4.710 1.00 0.00 C ATOM 19 CD GLN A 128 -4.183 -17.245 -4.589 1.00 0.00 C ATOM 20 OE1 GLN A 128 -3.345 -16.992 -3.722 1.00 0.00 O ATOM 21 NE2 GLN A 128 -4.038 -18.235 -5.460 1.00 0.00 N ATOM 0 H GLN A 128 -7.457 -14.301 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 128 -6.690 -14.703 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.915 -14.420 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -4.415 -14.881 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.214 -16.836 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.831 -16.493 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -4.759 -18.407 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -3.206 -18.824 -5.429 1.00 0.00 H new ATOM 30 N VAL A 129 -5.665 -12.414 -2.449 1.00 0.00 N ATOM 31 CA VAL A 129 -5.365 -11.018 -2.156 1.00 0.00 C ATOM 32 C VAL A 129 -3.962 -10.647 -2.622 1.00 0.00 C ATOM 33 O VAL A 129 -2.968 -11.076 -2.037 1.00 0.00 O ATOM 34 CB VAL A 129 -5.486 -10.721 -0.650 1.00 0.00 C ATOM 35 CG1 VAL A 129 -5.368 -9.227 -0.387 1.00 0.00 C ATOM 36 CG2 VAL A 129 -6.797 -11.263 -0.101 1.00 0.00 C ATOM 0 H VAL A 129 -5.424 -13.063 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.096 -10.418 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.667 -11.223 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.456 -9.038 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.400 -8.871 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.163 -8.701 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.864 -11.043 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -7.631 -10.793 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.836 -12.342 -0.252 1.00 0.00 H new ATOM 46 N ALA A 130 -3.889 -9.846 -3.680 1.00 0.00 N ATOM 47 CA ALA A 130 -2.607 -9.416 -4.226 1.00 0.00 C ATOM 48 C ALA A 130 -1.963 -8.356 -3.339 1.00 0.00 C ATOM 49 O ALA A 130 -0.738 -8.260 -3.260 1.00 0.00 O ATOM 50 CB ALA A 130 -2.787 -8.886 -5.641 1.00 0.00 C ATOM 0 H ALA A 130 -4.702 -9.482 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.943 -10.280 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.822 -8.569 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -3.198 -9.672 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -3.470 -8.037 -5.627 1.00 0.00 H new ATOM 56 N PHE A 131 -2.796 -7.561 -2.676 1.00 0.00 N ATOM 57 CA PHE A 131 -2.307 -6.507 -1.795 1.00 0.00 C ATOM 58 C PHE A 131 -1.893 -7.077 -0.442 1.00 0.00 C ATOM 59 O PHE A 131 -2.370 -8.134 -0.030 1.00 0.00 O ATOM 60 CB PHE A 131 -3.383 -5.437 -1.601 1.00 0.00 C ATOM 61 CG PHE A 131 -2.864 -4.166 -0.994 1.00 0.00 C ATOM 62 CD1 PHE A 131 -1.961 -3.372 -1.685 1.00 0.00 C ATOM 63 CD2 PHE A 131 -3.276 -3.765 0.266 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.482 -2.201 -1.129 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.801 -2.594 0.827 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.901 -1.813 0.129 1.00 0.00 C ATOM 0 H PHE A 131 -3.812 -7.626 -2.732 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.432 -6.054 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -3.836 -5.210 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -4.172 -5.838 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.629 -3.672 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.977 -4.374 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -0.781 -1.590 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -3.133 -2.291 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.525 -0.900 0.566 1.00 0.00 H new ATOM 76 N ARG A 132 -1.003 -6.368 0.244 1.00 0.00 N ATOM 77 CA ARG A 132 -0.524 -6.803 1.551 1.00 0.00 C ATOM 78 C ARG A 132 0.076 -5.635 2.326 1.00 0.00 C ATOM 79 O ARG A 132 0.670 -4.730 1.741 1.00 0.00 O ATOM 80 CB ARG A 132 0.516 -7.913 1.391 1.00 0.00 C ATOM 81 CG ARG A 132 1.780 -7.464 0.678 1.00 0.00 C ATOM 82 CD ARG A 132 2.835 -6.985 1.662 1.00 0.00 C ATOM 83 NE ARG A 132 4.182 -7.385 1.261 1.00 0.00 N ATOM 84 CZ ARG A 132 4.625 -8.640 1.298 1.00 0.00 C ATOM 85 NH1 ARG A 132 3.832 -9.618 1.717 1.00 0.00 N ATOM 86 NH2 ARG A 132 5.864 -8.917 0.916 1.00 0.00 N ATOM 0 H ARG A 132 -0.599 -5.490 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.374 -7.189 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.781 -8.296 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 132 0.071 -8.740 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.179 -8.289 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.540 -6.661 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.789 -5.899 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.617 -7.388 2.651 1.00 0.00 H new ATOM 0 HE ARG A 132 4.820 -6.660 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.878 -9.410 2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.176 -10.578 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 132 6.478 -8.169 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 132 6.204 -9.878 0.944 1.00 0.00 H new ATOM 100 N GLU A 133 -0.081 -5.662 3.645 1.00 0.00 N ATOM 101 CA GLU A 133 0.446 -4.606 4.499 1.00 0.00 C ATOM 102 C GLU A 133 1.967 -4.539 4.403 1.00 0.00 C ATOM 103 O GLU A 133 2.641 -5.568 4.360 1.00 0.00 O ATOM 104 CB GLU A 133 0.024 -4.836 5.952 1.00 0.00 C ATOM 105 CG GLU A 133 0.512 -6.157 6.526 1.00 0.00 C ATOM 106 CD GLU A 133 1.547 -5.974 7.618 1.00 0.00 C ATOM 107 OE1 GLU A 133 1.343 -5.101 8.489 1.00 0.00 O ATOM 108 OE2 GLU A 133 2.563 -6.701 7.602 1.00 0.00 O ATOM 0 H GLU A 133 -0.569 -6.405 4.145 1.00 0.00 H new ATOM 0 HA GLU A 133 0.035 -3.656 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.405 -4.020 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -1.064 -4.802 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.338 -6.711 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 133 0.938 -6.761 5.725 1.00 0.00 H new ATOM 115 N GLY A 134 2.501 -3.323 4.369 1.00 0.00 N ATOM 116 CA GLY A 134 3.938 -3.147 4.278 1.00 0.00 C ATOM 117 C GLY A 134 4.405 -2.899 2.857 1.00 0.00 C ATOM 118 O GLY A 134 5.460 -2.303 2.638 1.00 0.00 O ATOM 0 H GLY A 134 1.964 -2.456 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.238 -2.309 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.435 -4.034 4.670 1.00 0.00 H new ATOM 122 N ASP A 135 3.620 -3.359 1.887 1.00 0.00 N ATOM 123 CA ASP A 135 3.961 -3.184 0.478 1.00 0.00 C ATOM 124 C ASP A 135 4.123 -1.707 0.134 1.00 0.00 C ATOM 125 O ASP A 135 4.180 -0.856 1.023 1.00 0.00 O ATOM 126 CB ASP A 135 2.884 -3.814 -0.410 1.00 0.00 C ATOM 127 CG ASP A 135 3.475 -4.619 -1.550 1.00 0.00 C ATOM 128 OD1 ASP A 135 4.502 -4.182 -2.115 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.914 -5.683 -1.879 1.00 0.00 O ATOM 0 H ASP A 135 2.744 -3.855 2.050 1.00 0.00 H new ATOM 0 HA ASP A 135 4.912 -3.685 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.249 -4.460 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.246 -3.029 -0.816 1.00 0.00 H new ATOM 134 N GLN A 136 4.201 -1.408 -1.159 1.00 0.00 N ATOM 135 CA GLN A 136 4.359 -0.032 -1.616 1.00 0.00 C ATOM 136 C GLN A 136 3.425 0.269 -2.784 1.00 0.00 C ATOM 137 O GLN A 136 3.253 -0.553 -3.684 1.00 0.00 O ATOM 138 CB GLN A 136 5.810 0.226 -2.028 1.00 0.00 C ATOM 139 CG GLN A 136 6.752 0.412 -0.849 1.00 0.00 C ATOM 140 CD GLN A 136 7.236 1.842 -0.708 1.00 0.00 C ATOM 141 OE1 GLN A 136 6.469 2.789 -0.874 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.519 2.005 -0.402 1.00 0.00 N ATOM 0 H GLN A 136 4.157 -2.099 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 136 4.098 0.629 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.161 -0.609 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.848 1.115 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.244 0.112 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.611 -0.248 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.120 1.191 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.903 2.944 -0.296 1.00 0.00 H new ATOM 151 N VAL A 137 2.825 1.455 -2.760 1.00 0.00 N ATOM 152 CA VAL A 137 1.908 1.873 -3.815 1.00 0.00 C ATOM 153 C VAL A 137 2.162 3.321 -4.214 1.00 0.00 C ATOM 154 O VAL A 137 2.719 4.097 -3.438 1.00 0.00 O ATOM 155 CB VAL A 137 0.441 1.731 -3.371 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.081 0.267 -3.167 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.190 2.530 -2.105 1.00 0.00 C ATOM 0 H VAL A 137 2.958 2.145 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 137 2.088 1.221 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.198 2.129 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.960 0.189 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.220 -0.276 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.725 -0.162 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.852 2.419 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.838 2.163 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.403 3.583 -2.291 1.00 0.00 H new ATOM 167 N ARG A 138 1.749 3.683 -5.426 1.00 0.00 N ATOM 168 CA ARG A 138 1.936 5.045 -5.917 1.00 0.00 C ATOM 169 C ARG A 138 0.735 5.918 -5.569 1.00 0.00 C ATOM 170 O ARG A 138 -0.322 5.417 -5.188 1.00 0.00 O ATOM 171 CB ARG A 138 2.166 5.051 -7.432 1.00 0.00 C ATOM 172 CG ARG A 138 3.378 5.867 -7.861 1.00 0.00 C ATOM 173 CD ARG A 138 3.981 5.331 -9.151 1.00 0.00 C ATOM 174 NE ARG A 138 4.956 6.257 -9.722 1.00 0.00 N ATOM 175 CZ ARG A 138 5.343 6.234 -10.995 1.00 0.00 C ATOM 176 NH1 ARG A 138 4.844 5.335 -11.833 1.00 0.00 N ATOM 177 NH2 ARG A 138 6.232 7.116 -11.433 1.00 0.00 N ATOM 0 H ARG A 138 1.285 3.056 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 138 2.819 5.456 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.289 4.024 -7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.278 5.448 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.087 6.908 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.129 5.848 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.462 4.372 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.187 5.148 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 138 5.364 6.963 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.159 4.655 -11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.145 5.324 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.618 7.811 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.529 7.099 -12.409 1.00 0.00 H new ATOM 191 N VAL A 139 0.910 7.226 -5.703 1.00 0.00 N ATOM 192 CA VAL A 139 -0.152 8.182 -5.404 1.00 0.00 C ATOM 193 C VAL A 139 -1.147 8.277 -6.561 1.00 0.00 C ATOM 194 O VAL A 139 -0.894 7.765 -7.650 1.00 0.00 O ATOM 195 CB VAL A 139 0.426 9.582 -5.116 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.617 10.476 -4.465 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.669 9.480 -4.242 1.00 0.00 C ATOM 0 H VAL A 139 1.781 7.652 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.670 7.820 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 139 0.711 10.033 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.185 11.458 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.473 10.581 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.942 10.031 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.062 10.478 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.411 9.004 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.425 8.885 -4.753 1.00 0.00 H new ATOM 207 N VAL A 140 -2.282 8.928 -6.315 1.00 0.00 N ATOM 208 CA VAL A 140 -3.316 9.078 -7.336 1.00 0.00 C ATOM 209 C VAL A 140 -2.976 10.194 -8.330 1.00 0.00 C ATOM 210 O VAL A 140 -2.763 9.930 -9.512 1.00 0.00 O ATOM 211 CB VAL A 140 -4.709 9.343 -6.708 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.632 10.371 -5.582 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.711 9.783 -7.769 1.00 0.00 C ATOM 0 H VAL A 140 -2.509 9.359 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.353 8.132 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 140 -5.055 8.404 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.627 10.531 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.967 10.005 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.247 11.312 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.680 9.962 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.361 10.700 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.810 9.001 -8.522 1.00 0.00 H new ATOM 223 N SER A 141 -2.936 11.434 -7.853 1.00 0.00 N ATOM 224 CA SER A 141 -2.631 12.569 -8.720 1.00 0.00 C ATOM 225 C SER A 141 -2.170 13.774 -7.905 1.00 0.00 C ATOM 226 O SER A 141 -1.820 13.646 -6.732 1.00 0.00 O ATOM 227 CB SER A 141 -3.860 12.938 -9.554 1.00 0.00 C ATOM 228 OG SER A 141 -4.490 11.781 -10.076 1.00 0.00 O ATOM 0 H SER A 141 -3.109 11.679 -6.878 1.00 0.00 H new ATOM 0 HA SER A 141 -1.819 12.279 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.567 13.494 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.564 13.595 -10.372 1.00 0.00 H new ATOM 0 HG SER A 141 -3.818 11.084 -10.230 1.00 0.00 H new ATOM 234 N GLY A 142 -2.173 14.945 -8.537 1.00 0.00 N ATOM 235 CA GLY A 142 -1.754 16.156 -7.857 1.00 0.00 C ATOM 236 C GLY A 142 -0.245 16.311 -7.827 1.00 0.00 C ATOM 237 O GLY A 142 0.459 15.685 -8.618 1.00 0.00 O ATOM 0 H GLY A 142 -2.458 15.075 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -2.195 17.020 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.136 16.147 -6.836 1.00 0.00 H new ATOM 241 N PRO A 143 0.285 17.142 -6.913 1.00 0.00 N ATOM 242 CA PRO A 143 1.730 17.360 -6.793 1.00 0.00 C ATOM 243 C PRO A 143 2.467 16.117 -6.303 1.00 0.00 C ATOM 244 O PRO A 143 3.695 16.054 -6.350 1.00 0.00 O ATOM 245 CB PRO A 143 1.837 18.487 -5.760 1.00 0.00 C ATOM 246 CG PRO A 143 0.578 18.400 -4.969 1.00 0.00 C ATOM 247 CD PRO A 143 -0.480 17.924 -5.926 1.00 0.00 C ATOM 0 HA PRO A 143 2.185 17.600 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.713 18.359 -5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.934 19.459 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.689 17.708 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.315 19.370 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.232 17.314 -5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.005 18.757 -6.392 1.00 0.00 H new ATOM 255 N PHE A 144 1.709 15.127 -5.835 1.00 0.00 N ATOM 256 CA PHE A 144 2.294 13.886 -5.337 1.00 0.00 C ATOM 257 C PHE A 144 2.042 12.734 -6.303 1.00 0.00 C ATOM 258 O PHE A 144 2.121 11.571 -5.915 1.00 0.00 O ATOM 259 CB PHE A 144 1.711 13.530 -3.967 1.00 0.00 C ATOM 260 CG PHE A 144 1.414 14.720 -3.100 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.441 15.458 -2.533 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.104 15.097 -2.850 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.167 16.551 -1.734 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.176 16.189 -2.053 1.00 0.00 C ATOM 265 CZ PHE A 144 0.856 16.917 -1.495 1.00 0.00 C ATOM 0 H PHE A 144 0.691 15.161 -5.791 1.00 0.00 H new ATOM 0 HA PHE A 144 3.369 14.043 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.793 12.961 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.411 12.878 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.467 15.175 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.707 14.530 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.976 17.118 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.201 16.473 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.639 17.772 -0.872 1.00 0.00 H new ATOM 275 N ALA A 145 1.732 13.053 -7.557 1.00 0.00 N ATOM 276 CA ALA A 145 1.460 12.026 -8.560 1.00 0.00 C ATOM 277 C ALA A 145 2.741 11.430 -9.137 1.00 0.00 C ATOM 278 O ALA A 145 2.809 11.120 -10.326 1.00 0.00 O ATOM 279 CB ALA A 145 0.597 12.597 -9.674 1.00 0.00 C ATOM 0 H ALA A 145 1.663 14.010 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 145 0.923 11.219 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.401 11.823 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -0.347 12.949 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.118 13.429 -10.148 1.00 0.00 H new ATOM 285 N ASP A 146 3.748 11.259 -8.290 1.00 0.00 N ATOM 286 CA ASP A 146 5.018 10.687 -8.720 1.00 0.00 C ATOM 287 C ASP A 146 5.812 10.173 -7.527 1.00 0.00 C ATOM 288 O ASP A 146 7.040 10.259 -7.498 1.00 0.00 O ATOM 289 CB ASP A 146 5.836 11.721 -9.498 1.00 0.00 C ATOM 290 CG ASP A 146 6.223 11.230 -10.879 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.898 10.184 -10.971 1.00 0.00 O ATOM 292 OD2 ASP A 146 5.852 11.895 -11.870 1.00 0.00 O ATOM 0 H ASP A 146 3.710 11.508 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 146 4.805 9.845 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.260 12.641 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 146 6.738 11.965 -8.936 1.00 0.00 H new ATOM 297 N PHE A 147 5.101 9.639 -6.545 1.00 0.00 N ATOM 298 CA PHE A 147 5.732 9.110 -5.343 1.00 0.00 C ATOM 299 C PHE A 147 4.955 7.913 -4.811 1.00 0.00 C ATOM 300 O PHE A 147 3.751 7.790 -5.042 1.00 0.00 O ATOM 301 CB PHE A 147 5.824 10.193 -4.267 1.00 0.00 C ATOM 302 CG PHE A 147 6.316 11.515 -4.784 1.00 0.00 C ATOM 303 CD1 PHE A 147 5.467 12.362 -5.475 1.00 0.00 C ATOM 304 CD2 PHE A 147 7.630 11.908 -4.580 1.00 0.00 C ATOM 305 CE1 PHE A 147 5.916 13.579 -5.953 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.085 13.123 -5.055 1.00 0.00 C ATOM 307 CZ PHE A 147 7.227 13.960 -5.742 1.00 0.00 C ATOM 0 H PHE A 147 4.084 9.560 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 147 6.739 8.785 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.841 10.331 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.491 9.851 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.441 12.069 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.305 11.257 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 147 5.243 14.231 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 147 9.111 13.418 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 147 7.581 14.910 -6.113 1.00 0.00 H new ATOM 317 N THR A 148 5.646 7.032 -4.099 1.00 0.00 N ATOM 318 CA THR A 148 5.011 5.848 -3.540 1.00 0.00 C ATOM 319 C THR A 148 4.760 6.022 -2.045 1.00 0.00 C ATOM 320 O THR A 148 5.080 7.062 -1.469 1.00 0.00 O ATOM 321 CB THR A 148 5.880 4.612 -3.783 1.00 0.00 C ATOM 322 OG1 THR A 148 7.188 4.811 -3.277 1.00 0.00 O ATOM 323 CG2 THR A 148 6.005 4.247 -5.247 1.00 0.00 C ATOM 0 H THR A 148 6.642 7.115 -3.896 1.00 0.00 H new ATOM 0 HA THR A 148 4.052 5.711 -4.039 1.00 0.00 H new ATOM 0 HB THR A 148 5.375 3.797 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.307 4.282 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.634 3.362 -5.349 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.016 4.039 -5.656 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.455 5.077 -5.792 1.00 0.00 H new ATOM 331 N GLY A 149 4.183 4.999 -1.423 1.00 0.00 N ATOM 332 CA GLY A 149 3.898 5.066 -0.004 1.00 0.00 C ATOM 333 C GLY A 149 4.105 3.737 0.697 1.00 0.00 C ATOM 334 O GLY A 149 3.916 2.676 0.101 1.00 0.00 O ATOM 0 H GLY A 149 3.909 4.127 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.538 5.819 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.868 5.392 0.141 1.00 0.00 H new ATOM 338 N THR A 150 4.487 3.796 1.969 1.00 0.00 N ATOM 339 CA THR A 150 4.718 2.591 2.757 1.00 0.00 C ATOM 340 C THR A 150 3.478 2.233 3.568 1.00 0.00 C ATOM 341 O THR A 150 3.197 2.849 4.596 1.00 0.00 O ATOM 342 CB THR A 150 5.910 2.788 3.691 1.00 0.00 C ATOM 343 OG1 THR A 150 7.016 3.327 2.988 1.00 0.00 O ATOM 344 CG2 THR A 150 6.370 1.509 4.357 1.00 0.00 C ATOM 0 H THR A 150 4.643 4.667 2.476 1.00 0.00 H new ATOM 0 HA THR A 150 4.935 1.772 2.071 1.00 0.00 H new ATOM 0 HB THR A 150 5.559 3.474 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.768 3.447 3.604 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.219 1.722 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.555 1.094 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.667 0.789 3.595 1.00 0.00 H new ATOM 352 N VAL A 151 2.735 1.237 3.100 1.00 0.00 N ATOM 353 CA VAL A 151 1.524 0.800 3.782 1.00 0.00 C ATOM 354 C VAL A 151 1.833 0.328 5.199 1.00 0.00 C ATOM 355 O VAL A 151 2.555 -0.649 5.396 1.00 0.00 O ATOM 356 CB VAL A 151 0.819 -0.335 3.013 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.486 -0.719 3.697 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.568 0.068 1.568 1.00 0.00 C ATOM 0 H VAL A 151 2.951 0.717 2.250 1.00 0.00 H new ATOM 0 HA VAL A 151 0.858 1.662 3.826 1.00 0.00 H new ATOM 0 HB VAL A 151 1.475 -1.205 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.967 -1.521 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.279 -1.057 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.147 0.147 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.070 -0.748 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.064 0.956 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.518 0.285 1.081 1.00 0.00 H new ATOM 368 N THR A 152 1.280 1.029 6.182 1.00 0.00 N ATOM 369 CA THR A 152 1.494 0.684 7.583 1.00 0.00 C ATOM 370 C THR A 152 0.339 -0.156 8.117 1.00 0.00 C ATOM 371 O THR A 152 0.552 -1.181 8.763 1.00 0.00 O ATOM 372 CB THR A 152 1.652 1.952 8.424 1.00 0.00 C ATOM 373 OG1 THR A 152 0.734 2.947 8.005 1.00 0.00 O ATOM 374 CG2 THR A 152 3.040 2.550 8.352 1.00 0.00 C ATOM 0 H THR A 152 0.680 1.840 6.035 1.00 0.00 H new ATOM 0 HA THR A 152 2.409 0.096 7.652 1.00 0.00 H new ATOM 0 HB THR A 152 1.461 1.643 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 152 0.848 3.750 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.083 3.446 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.768 1.824 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.271 2.811 7.319 1.00 0.00 H new ATOM 382 N GLU A 153 -0.884 0.284 7.840 1.00 0.00 N ATOM 383 CA GLU A 153 -2.075 -0.428 8.293 1.00 0.00 C ATOM 384 C GLU A 153 -3.140 -0.455 7.201 1.00 0.00 C ATOM 385 O GLU A 153 -3.130 0.372 6.291 1.00 0.00 O ATOM 386 CB GLU A 153 -2.635 0.224 9.558 1.00 0.00 C ATOM 387 CG GLU A 153 -2.257 -0.509 10.837 1.00 0.00 C ATOM 388 CD GLU A 153 -1.727 0.422 11.910 1.00 0.00 C ATOM 389 OE1 GLU A 153 -2.488 1.307 12.355 1.00 0.00 O ATOM 390 OE2 GLU A 153 -0.553 0.266 12.304 1.00 0.00 O ATOM 0 H GLU A 153 -1.077 1.130 7.304 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.790 -1.455 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.275 1.251 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.721 0.271 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.130 -1.038 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.502 -1.262 10.610 1.00 0.00 H new ATOM 397 N ILE A 154 -4.058 -1.412 7.300 1.00 0.00 N ATOM 398 CA ILE A 154 -5.130 -1.545 6.321 1.00 0.00 C ATOM 399 C ILE A 154 -6.487 -1.680 7.004 1.00 0.00 C ATOM 400 O ILE A 154 -6.609 -2.337 8.038 1.00 0.00 O ATOM 401 CB ILE A 154 -4.905 -2.763 5.405 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.476 -2.766 4.860 1.00 0.00 C ATOM 403 CG2 ILE A 154 -5.912 -2.760 4.263 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.131 -4.011 4.075 1.00 0.00 C ATOM 0 H ILE A 154 -4.080 -2.106 8.048 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.120 -0.638 5.717 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.051 -3.670 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.338 -1.894 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -2.779 -2.666 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -5.740 -3.626 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -6.923 -2.803 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -5.795 -1.848 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.103 -3.944 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.237 -4.886 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.804 -4.102 3.223 1.00 0.00 H new ATOM 416 N ASN A 155 -7.503 -1.054 6.418 1.00 0.00 N ATOM 417 CA ASN A 155 -8.853 -1.104 6.969 1.00 0.00 C ATOM 418 C ASN A 155 -9.832 -1.683 5.947 1.00 0.00 C ATOM 419 O ASN A 155 -10.266 -0.985 5.032 1.00 0.00 O ATOM 420 CB ASN A 155 -9.304 0.297 7.390 1.00 0.00 C ATOM 421 CG ASN A 155 -9.429 0.436 8.895 1.00 0.00 C ATOM 422 OD1 ASN A 155 -10.037 -0.404 9.559 1.00 0.00 O ATOM 423 ND2 ASN A 155 -8.853 1.501 9.441 1.00 0.00 N ATOM 0 H ASN A 155 -7.417 -0.506 5.562 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.842 -1.753 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.591 1.032 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.264 0.521 6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -8.904 1.648 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -8.359 2.172 8.852 1.00 0.00 H new ATOM 430 N PRO A 156 -10.192 -2.971 6.085 1.00 0.00 N ATOM 431 CA PRO A 156 -11.120 -3.636 5.163 1.00 0.00 C ATOM 432 C PRO A 156 -12.516 -3.018 5.195 1.00 0.00 C ATOM 433 O PRO A 156 -13.047 -2.606 4.164 1.00 0.00 O ATOM 434 CB PRO A 156 -11.171 -5.084 5.671 1.00 0.00 C ATOM 435 CG PRO A 156 -9.970 -5.239 6.541 1.00 0.00 C ATOM 436 CD PRO A 156 -9.720 -3.885 7.137 1.00 0.00 C ATOM 0 HA PRO A 156 -10.788 -3.546 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.088 -5.273 6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -11.151 -5.792 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.144 -5.983 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.110 -5.577 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -10.268 -3.746 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.665 -3.731 7.362 1.00 0.00 H new ATOM 444 N GLU A 157 -13.106 -2.964 6.385 1.00 0.00 N ATOM 445 CA GLU A 157 -14.444 -2.404 6.553 1.00 0.00 C ATOM 446 C GLU A 157 -14.511 -0.964 6.057 1.00 0.00 C ATOM 447 O GLU A 157 -15.463 -0.575 5.381 1.00 0.00 O ATOM 448 CB GLU A 157 -14.861 -2.467 8.025 1.00 0.00 C ATOM 449 CG GLU A 157 -15.611 -3.737 8.390 1.00 0.00 C ATOM 450 CD GLU A 157 -14.796 -4.990 8.140 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.741 -5.441 6.977 1.00 0.00 O ATOM 452 OE2 GLU A 157 -14.210 -5.520 9.109 1.00 0.00 O ATOM 0 H GLU A 157 -12.679 -3.301 7.248 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.133 -3.001 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.971 -2.388 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.489 -1.606 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.895 -3.697 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -16.534 -3.788 7.812 1.00 0.00 H new ATOM 459 N ARG A 158 -13.499 -0.173 6.399 1.00 0.00 N ATOM 460 CA ARG A 158 -13.453 1.227 5.989 1.00 0.00 C ATOM 461 C ARG A 158 -12.972 1.363 4.548 1.00 0.00 C ATOM 462 O ARG A 158 -13.295 2.337 3.866 1.00 0.00 O ATOM 463 CB ARG A 158 -12.536 2.021 6.921 1.00 0.00 C ATOM 464 CG ARG A 158 -12.948 3.474 7.084 1.00 0.00 C ATOM 465 CD ARG A 158 -14.112 3.617 8.050 1.00 0.00 C ATOM 466 NE ARG A 158 -15.399 3.632 7.360 1.00 0.00 N ATOM 467 CZ ARG A 158 -16.547 3.975 7.938 1.00 0.00 C ATOM 468 NH1 ARG A 158 -16.572 4.334 9.217 1.00 0.00 N ATOM 469 NH2 ARG A 158 -17.673 3.961 7.238 1.00 0.00 N ATOM 0 H ARG A 158 -12.701 -0.476 6.958 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.464 1.629 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.525 1.543 7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.517 1.982 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -12.100 4.055 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -13.226 3.886 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -14.093 2.794 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.997 4.538 8.622 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.419 3.363 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -15.709 4.347 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -17.455 4.596 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -17.659 3.687 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -18.553 4.224 7.682 1.00 0.00 H new ATOM 483 N GLY A 159 -12.195 0.388 4.089 1.00 0.00 N ATOM 484 CA GLY A 159 -11.683 0.424 2.732 1.00 0.00 C ATOM 485 C GLY A 159 -10.645 1.512 2.537 1.00 0.00 C ATOM 486 O GLY A 159 -10.520 2.073 1.449 1.00 0.00 O ATOM 0 H GLY A 159 -11.911 -0.427 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.243 -0.543 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.509 0.584 2.039 1.00 0.00 H new ATOM 490 N LYS A 160 -9.900 1.812 3.598 1.00 0.00 N ATOM 491 CA LYS A 160 -8.869 2.841 3.541 1.00 0.00 C ATOM 492 C LYS A 160 -7.476 2.227 3.659 1.00 0.00 C ATOM 493 O LYS A 160 -7.329 1.070 4.051 1.00 0.00 O ATOM 494 CB LYS A 160 -9.080 3.866 4.657 1.00 0.00 C ATOM 495 CG LYS A 160 -10.115 4.929 4.321 1.00 0.00 C ATOM 496 CD LYS A 160 -10.469 5.766 5.539 1.00 0.00 C ATOM 497 CE LYS A 160 -10.621 7.236 5.178 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.590 7.929 6.072 1.00 0.00 N ATOM 0 H LYS A 160 -9.992 1.357 4.506 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.946 3.341 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.388 3.345 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.130 4.353 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -9.731 5.576 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.015 4.452 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -11.398 5.400 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.694 5.654 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -9.651 7.728 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.954 7.324 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -11.666 8.928 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -12.522 7.476 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -11.259 7.868 7.056 1.00 0.00 H new ATOM 512 N VAL A 161 -6.459 3.012 3.318 1.00 0.00 N ATOM 513 CA VAL A 161 -5.078 2.548 3.387 1.00 0.00 C ATOM 514 C VAL A 161 -4.134 3.692 3.742 1.00 0.00 C ATOM 515 O VAL A 161 -4.133 4.734 3.087 1.00 0.00 O ATOM 516 CB VAL A 161 -4.628 1.920 2.054 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.266 0.553 1.864 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.964 2.841 0.889 1.00 0.00 C ATOM 0 H VAL A 161 -6.565 3.972 2.991 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.037 1.789 4.168 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.546 1.788 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.936 0.126 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -4.969 -0.104 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.351 0.656 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.639 2.381 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.041 3.007 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.453 3.795 1.020 1.00 0.00 H new ATOM 528 N LYS A 162 -3.334 3.492 4.785 1.00 0.00 N ATOM 529 CA LYS A 162 -2.387 4.510 5.227 1.00 0.00 C ATOM 530 C LYS A 162 -0.976 4.189 4.748 1.00 0.00 C ATOM 531 O LYS A 162 -0.473 3.085 4.961 1.00 0.00 O ATOM 532 CB LYS A 162 -2.406 4.626 6.751 1.00 0.00 C ATOM 533 CG LYS A 162 -1.535 5.750 7.285 1.00 0.00 C ATOM 534 CD LYS A 162 -1.731 5.945 8.779 1.00 0.00 C ATOM 535 CE LYS A 162 -3.117 6.485 9.094 1.00 0.00 C ATOM 536 NZ LYS A 162 -3.777 5.717 10.187 1.00 0.00 N ATOM 0 H LYS A 162 -3.323 2.636 5.339 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.689 5.463 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.432 4.784 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -2.073 3.682 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.488 5.529 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.773 6.676 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.584 4.995 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.976 6.633 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -3.041 7.534 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -3.735 6.444 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -4.719 6.116 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -3.872 4.721 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -3.200 5.777 11.050 1.00 0.00 H new ATOM 550 N VAL A 163 -0.341 5.161 4.100 1.00 0.00 N ATOM 551 CA VAL A 163 1.014 4.983 3.590 1.00 0.00 C ATOM 552 C VAL A 163 1.839 6.253 3.761 1.00 0.00 C ATOM 553 O VAL A 163 1.304 7.361 3.724 1.00 0.00 O ATOM 554 CB VAL A 163 1.006 4.592 2.100 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.427 3.198 1.910 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.227 5.613 1.284 1.00 0.00 C ATOM 0 H VAL A 163 -0.743 6.080 3.916 1.00 0.00 H new ATOM 0 HA VAL A 163 1.465 4.178 4.170 1.00 0.00 H new ATOM 0 HB VAL A 163 2.036 4.582 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.431 2.944 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 163 1.031 2.475 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.596 3.175 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.232 5.320 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.801 5.658 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.691 6.594 1.389 1.00 0.00 H new ATOM 566 N MET A 164 3.146 6.087 3.943 1.00 0.00 N ATOM 567 CA MET A 164 4.042 7.225 4.112 1.00 0.00 C ATOM 568 C MET A 164 4.740 7.566 2.799 1.00 0.00 C ATOM 569 O MET A 164 5.441 6.737 2.223 1.00 0.00 O ATOM 570 CB MET A 164 5.074 6.937 5.209 1.00 0.00 C ATOM 571 CG MET A 164 6.094 5.869 4.840 1.00 0.00 C ATOM 572 SD MET A 164 7.786 6.496 4.811 1.00 0.00 S ATOM 573 CE MET A 164 8.033 6.740 3.054 1.00 0.00 C ATOM 0 H MET A 164 3.607 5.178 3.977 1.00 0.00 H new ATOM 0 HA MET A 164 3.445 8.086 4.414 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.602 7.861 5.448 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.550 6.626 6.113 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.028 5.048 5.554 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.846 5.460 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.100 6.812 2.843 1.00 0.00 H new ATOM 0 HE2 MET A 164 7.611 5.897 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 164 7.538 7.659 2.741 1.00 0.00 H new ATOM 583 N VAL A 165 4.538 8.791 2.326 1.00 0.00 N ATOM 584 CA VAL A 165 5.145 9.233 1.077 1.00 0.00 C ATOM 585 C VAL A 165 6.281 10.217 1.330 1.00 0.00 C ATOM 586 O VAL A 165 6.302 10.909 2.348 1.00 0.00 O ATOM 587 CB VAL A 165 4.107 9.895 0.150 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.066 8.881 -0.299 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.446 11.075 0.846 1.00 0.00 C ATOM 0 H VAL A 165 3.960 9.493 2.788 1.00 0.00 H new ATOM 0 HA VAL A 165 5.543 8.342 0.591 1.00 0.00 H new ATOM 0 HB VAL A 165 4.623 10.266 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.342 9.368 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.556 8.071 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.553 8.476 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.716 11.530 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.944 10.730 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.204 11.812 1.111 1.00 0.00 H new ATOM 599 N THR A 166 7.222 10.274 0.394 1.00 0.00 N ATOM 600 CA THR A 166 8.363 11.173 0.508 1.00 0.00 C ATOM 601 C THR A 166 8.429 12.117 -0.687 1.00 0.00 C ATOM 602 O THR A 166 8.041 11.753 -1.797 1.00 0.00 O ATOM 603 CB THR A 166 9.663 10.373 0.614 1.00 0.00 C ATOM 604 OG1 THR A 166 9.548 9.138 -0.071 1.00 0.00 O ATOM 605 CG2 THR A 166 10.064 10.070 2.042 1.00 0.00 C ATOM 0 H THR A 166 7.216 9.707 -0.454 1.00 0.00 H new ATOM 0 HA THR A 166 8.238 11.767 1.413 1.00 0.00 H new ATOM 0 HB THR A 166 10.429 11.005 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.389 8.641 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.994 9.501 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.208 11.004 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 166 9.280 9.487 2.524 1.00 0.00 H new ATOM 613 N ILE A 167 8.923 13.328 -0.454 1.00 0.00 N ATOM 614 CA ILE A 167 9.037 14.321 -1.516 1.00 0.00 C ATOM 615 C ILE A 167 10.476 14.438 -2.005 1.00 0.00 C ATOM 616 O ILE A 167 10.772 14.162 -3.168 1.00 0.00 O ATOM 617 CB ILE A 167 8.551 15.707 -1.045 1.00 0.00 C ATOM 618 CG1 ILE A 167 7.178 15.595 -0.378 1.00 0.00 C ATOM 619 CG2 ILE A 167 8.503 16.677 -2.217 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.197 15.913 1.101 1.00 0.00 C ATOM 0 H ILE A 167 9.250 13.645 0.459 1.00 0.00 H new ATOM 0 HA ILE A 167 8.404 13.982 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 167 9.257 16.092 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.484 16.271 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.796 14.584 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 167 8.158 17.651 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 167 9.499 16.777 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.817 16.299 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.191 15.813 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.865 15.221 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 167 7.549 16.934 1.249 1.00 0.00 H new ATOM 632 N PHE A 168 11.368 14.853 -1.111 1.00 0.00 N ATOM 633 CA PHE A 168 12.779 15.009 -1.453 1.00 0.00 C ATOM 634 C PHE A 168 13.669 14.674 -0.258 1.00 0.00 C ATOM 635 O PHE A 168 14.440 15.511 0.210 1.00 0.00 O ATOM 636 CB PHE A 168 13.057 16.437 -1.932 1.00 0.00 C ATOM 637 CG PHE A 168 12.247 17.487 -1.219 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.121 17.467 0.160 1.00 0.00 C ATOM 639 CD2 PHE A 168 11.613 18.492 -1.932 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.378 18.429 0.815 1.00 0.00 C ATOM 641 CE2 PHE A 168 10.867 19.457 -1.282 1.00 0.00 C ATOM 642 CZ PHE A 168 10.750 19.425 0.094 1.00 0.00 C ATOM 0 H PHE A 168 11.140 15.087 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 168 13.011 14.314 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 168 14.116 16.655 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 168 12.852 16.498 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 168 12.609 16.690 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 168 11.703 18.522 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 168 11.288 18.402 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 168 10.377 20.235 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 168 10.168 20.178 0.605 1.00 0.00 H new ATOM 652 N GLY A 169 13.555 13.443 0.232 1.00 0.00 N ATOM 653 CA GLY A 169 14.354 13.021 1.367 1.00 0.00 C ATOM 654 C GLY A 169 13.595 13.106 2.677 1.00 0.00 C ATOM 655 O GLY A 169 13.960 12.455 3.656 1.00 0.00 O ATOM 0 H GLY A 169 12.924 12.731 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 169 14.688 11.995 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 169 15.248 13.641 1.428 1.00 0.00 H new ATOM 659 N ARG A 170 12.538 13.912 2.698 1.00 0.00 N ATOM 660 CA ARG A 170 11.728 14.080 3.899 1.00 0.00 C ATOM 661 C ARG A 170 10.486 13.196 3.848 1.00 0.00 C ATOM 662 O ARG A 170 9.732 13.224 2.875 1.00 0.00 O ATOM 663 CB ARG A 170 11.318 15.545 4.059 1.00 0.00 C ATOM 664 CG ARG A 170 10.505 15.816 5.314 1.00 0.00 C ATOM 665 CD ARG A 170 9.474 16.909 5.083 1.00 0.00 C ATOM 666 NE ARG A 170 9.201 17.669 6.302 1.00 0.00 N ATOM 667 CZ ARG A 170 8.630 18.871 6.312 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.270 19.453 5.173 1.00 0.00 N ATOM 669 NH2 ARG A 170 8.414 19.494 7.464 1.00 0.00 N ATOM 0 H ARG A 170 12.223 14.459 1.897 1.00 0.00 H new ATOM 0 HA ARG A 170 12.329 13.780 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 170 12.215 16.165 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.738 15.848 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.003 14.901 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.172 16.109 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 170 9.830 17.585 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 170 8.548 16.464 4.718 1.00 0.00 H new ATOM 0 HE ARG A 170 9.463 17.254 7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.431 18.978 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 170 7.833 20.374 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 170 8.686 19.051 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 170 7.976 20.415 7.471 1.00 0.00 H new ATOM 683 N GLU A 171 10.282 12.413 4.902 1.00 0.00 N ATOM 684 CA GLU A 171 9.130 11.520 4.978 1.00 0.00 C ATOM 685 C GLU A 171 7.902 12.261 5.495 1.00 0.00 C ATOM 686 O GLU A 171 8.022 13.266 6.196 1.00 0.00 O ATOM 687 CB GLU A 171 9.441 10.330 5.888 1.00 0.00 C ATOM 688 CG GLU A 171 9.946 10.731 7.263 1.00 0.00 C ATOM 689 CD GLU A 171 11.430 10.485 7.436 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.953 9.542 6.803 1.00 0.00 O ATOM 691 OE2 GLU A 171 12.072 11.233 8.202 1.00 0.00 O ATOM 0 H GLU A 171 10.898 12.378 5.714 1.00 0.00 H new ATOM 0 HA GLU A 171 8.917 11.155 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.541 9.726 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 171 10.188 9.700 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.735 11.788 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.399 10.174 8.023 1.00 0.00 H new ATOM 698 N THR A 172 6.722 11.760 5.145 1.00 0.00 N ATOM 699 CA THR A 172 5.473 12.375 5.577 1.00 0.00 C ATOM 700 C THR A 172 4.325 11.367 5.531 1.00 0.00 C ATOM 701 O THR A 172 3.780 11.088 4.463 1.00 0.00 O ATOM 702 CB THR A 172 5.142 13.579 4.692 1.00 0.00 C ATOM 703 OG1 THR A 172 6.223 14.493 4.665 1.00 0.00 O ATOM 704 CG2 THR A 172 3.912 14.335 5.144 1.00 0.00 C ATOM 0 H THR A 172 6.605 10.930 4.564 1.00 0.00 H new ATOM 0 HA THR A 172 5.599 12.710 6.606 1.00 0.00 H new ATOM 0 HB THR A 172 4.950 13.165 3.702 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.788 14.355 5.454 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.735 15.176 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 172 3.049 13.669 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.065 14.706 6.158 1.00 0.00 H new ATOM 712 N PRO A 173 3.939 10.805 6.691 1.00 0.00 N ATOM 713 CA PRO A 173 2.850 9.826 6.767 1.00 0.00 C ATOM 714 C PRO A 173 1.496 10.445 6.443 1.00 0.00 C ATOM 715 O PRO A 173 0.996 11.293 7.184 1.00 0.00 O ATOM 716 CB PRO A 173 2.889 9.354 8.223 1.00 0.00 C ATOM 717 CG PRO A 173 3.540 10.467 8.968 1.00 0.00 C ATOM 718 CD PRO A 173 4.530 11.077 8.016 1.00 0.00 C ATOM 0 HA PRO A 173 2.977 9.020 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.886 9.158 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.454 8.427 8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.804 11.203 9.291 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.037 10.098 9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.650 12.146 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.517 10.625 8.117 1.00 0.00 H new ATOM 726 N VAL A 174 0.907 10.019 5.331 1.00 0.00 N ATOM 727 CA VAL A 174 -0.389 10.532 4.907 1.00 0.00 C ATOM 728 C VAL A 174 -1.358 9.395 4.603 1.00 0.00 C ATOM 729 O VAL A 174 -0.946 8.306 4.205 1.00 0.00 O ATOM 730 CB VAL A 174 -0.257 11.426 3.660 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.579 12.112 3.352 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.852 12.449 3.852 1.00 0.00 C ATOM 0 H VAL A 174 1.308 9.319 4.707 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.780 11.127 5.733 1.00 0.00 H new ATOM 0 HB VAL A 174 0.005 10.796 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.466 12.739 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.345 11.359 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -1.874 12.730 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.931 13.072 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.623 13.076 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.798 11.933 4.019 1.00 0.00 H new ATOM 742 N GLU A 175 -2.646 9.656 4.792 1.00 0.00 N ATOM 743 CA GLU A 175 -3.674 8.652 4.536 1.00 0.00 C ATOM 744 C GLU A 175 -3.984 8.564 3.046 1.00 0.00 C ATOM 745 O GLU A 175 -3.740 9.506 2.293 1.00 0.00 O ATOM 746 CB GLU A 175 -4.947 8.984 5.317 1.00 0.00 C ATOM 747 CG GLU A 175 -5.510 10.361 5.006 1.00 0.00 C ATOM 748 CD GLU A 175 -5.906 11.125 6.255 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.628 10.551 7.097 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.495 12.296 6.390 1.00 0.00 O ATOM 0 H GLU A 175 -3.004 10.553 5.121 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.296 7.685 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.705 8.232 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.736 8.920 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.768 10.936 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.380 10.256 4.358 1.00 0.00 H new ATOM 757 N LEU A 176 -4.522 7.423 2.627 1.00 0.00 N ATOM 758 CA LEU A 176 -4.865 7.211 1.225 1.00 0.00 C ATOM 759 C LEU A 176 -5.967 6.180 1.081 1.00 0.00 C ATOM 760 O LEU A 176 -6.555 5.732 2.065 1.00 0.00 O ATOM 761 CB LEU A 176 -3.648 6.718 0.443 1.00 0.00 C ATOM 762 CG LEU A 176 -2.886 7.799 -0.326 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.413 7.437 -0.437 1.00 0.00 C ATOM 764 CD2 LEU A 176 -3.492 7.999 -1.707 1.00 0.00 C ATOM 0 H LEU A 176 -4.730 6.632 3.237 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.205 8.168 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.960 6.236 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.975 5.954 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.969 8.736 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.887 8.217 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.985 7.345 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.310 6.489 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.937 8.772 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -3.440 7.065 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.534 8.304 -1.607 1.00 0.00 H new ATOM 776 N ASP A 177 -6.215 5.788 -0.161 1.00 0.00 N ATOM 777 CA ASP A 177 -7.214 4.786 -0.451 1.00 0.00 C ATOM 778 C ASP A 177 -6.837 4.005 -1.703 1.00 0.00 C ATOM 779 O ASP A 177 -6.133 4.509 -2.577 1.00 0.00 O ATOM 780 CB ASP A 177 -8.597 5.417 -0.619 1.00 0.00 C ATOM 781 CG ASP A 177 -8.847 6.552 0.357 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.937 6.282 1.572 1.00 0.00 O ATOM 783 OD2 ASP A 177 -8.950 7.712 -0.097 1.00 0.00 O ATOM 0 H ASP A 177 -5.733 6.154 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.254 4.099 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.700 5.790 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.360 4.651 -0.482 1.00 0.00 H new ATOM 788 N PHE A 178 -7.306 2.768 -1.775 1.00 0.00 N ATOM 789 CA PHE A 178 -7.027 1.893 -2.912 1.00 0.00 C ATOM 790 C PHE A 178 -7.248 2.617 -4.240 1.00 0.00 C ATOM 791 O PHE A 178 -6.428 2.520 -5.154 1.00 0.00 O ATOM 792 CB PHE A 178 -7.911 0.646 -2.845 1.00 0.00 C ATOM 793 CG PHE A 178 -7.181 -0.586 -2.390 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.740 -0.703 -1.081 1.00 0.00 C ATOM 795 CD2 PHE A 178 -6.940 -1.628 -3.270 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.071 -1.837 -0.660 1.00 0.00 C ATOM 797 CE2 PHE A 178 -6.270 -2.763 -2.855 1.00 0.00 C ATOM 798 CZ PHE A 178 -5.835 -2.869 -1.548 1.00 0.00 C ATOM 0 H PHE A 178 -7.887 2.341 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.979 1.598 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.743 0.837 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -8.339 0.461 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -6.921 0.101 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -7.280 -1.553 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.733 -1.916 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -6.086 -3.567 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.312 -3.756 -1.221 1.00 0.00 H new ATOM 808 N SER A 179 -8.359 3.339 -4.340 1.00 0.00 N ATOM 809 CA SER A 179 -8.688 4.076 -5.558 1.00 0.00 C ATOM 810 C SER A 179 -7.914 5.392 -5.644 1.00 0.00 C ATOM 811 O SER A 179 -8.045 6.133 -6.617 1.00 0.00 O ATOM 812 CB SER A 179 -10.190 4.355 -5.615 1.00 0.00 C ATOM 813 OG SER A 179 -10.579 4.797 -6.904 1.00 0.00 O ATOM 0 H SER A 179 -9.048 3.431 -3.593 1.00 0.00 H new ATOM 0 HA SER A 179 -8.400 3.457 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.741 3.451 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.451 5.111 -4.874 1.00 0.00 H new ATOM 0 HG SER A 179 -9.883 5.379 -7.274 1.00 0.00 H new ATOM 819 N GLN A 180 -7.111 5.678 -4.623 1.00 0.00 N ATOM 820 CA GLN A 180 -6.323 6.905 -4.587 1.00 0.00 C ATOM 821 C GLN A 180 -4.825 6.610 -4.698 1.00 0.00 C ATOM 822 O GLN A 180 -3.994 7.510 -4.553 1.00 0.00 O ATOM 823 CB GLN A 180 -6.612 7.674 -3.295 1.00 0.00 C ATOM 824 CG GLN A 180 -7.338 8.989 -3.522 1.00 0.00 C ATOM 825 CD GLN A 180 -6.910 10.068 -2.547 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.288 9.784 -1.524 1.00 0.00 O ATOM 827 NE2 GLN A 180 -7.242 11.315 -2.862 1.00 0.00 N ATOM 0 H GLN A 180 -6.989 5.076 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.609 7.515 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -7.211 7.047 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.671 7.871 -2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.153 9.331 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.412 8.827 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -7.758 11.504 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.981 12.084 -2.245 1.00 0.00 H new ATOM 836 N VAL A 181 -4.482 5.350 -4.959 1.00 0.00 N ATOM 837 CA VAL A 181 -3.087 4.953 -5.088 1.00 0.00 C ATOM 838 C VAL A 181 -2.884 4.026 -6.280 1.00 0.00 C ATOM 839 O VAL A 181 -3.835 3.679 -6.981 1.00 0.00 O ATOM 840 CB VAL A 181 -2.581 4.249 -3.815 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.536 5.221 -2.645 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.457 3.048 -3.488 1.00 0.00 C ATOM 0 H VAL A 181 -5.151 4.590 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.514 5.868 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.567 3.893 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -2.176 4.704 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.864 6.045 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.536 5.611 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.086 2.562 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.483 3.379 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.431 2.342 -4.318 1.00 0.00 H new ATOM 852 N VAL A 182 -1.636 3.627 -6.505 1.00 0.00 N ATOM 853 CA VAL A 182 -1.300 2.739 -7.613 1.00 0.00 C ATOM 854 C VAL A 182 -0.383 1.611 -7.132 1.00 0.00 C ATOM 855 O VAL A 182 -0.450 1.206 -5.975 1.00 0.00 O ATOM 856 CB VAL A 182 -0.628 3.511 -8.774 1.00 0.00 C ATOM 857 CG1 VAL A 182 -1.019 2.907 -10.114 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.991 4.989 -8.731 1.00 0.00 C ATOM 0 H VAL A 182 -0.839 3.905 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.229 2.310 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 182 0.452 3.424 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.537 3.463 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -0.700 1.865 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.101 2.959 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.505 5.507 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -2.072 5.101 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.656 5.419 -7.787 1.00 0.00 H new ATOM 868 N LYS A 183 0.473 1.099 -8.014 1.00 0.00 N ATOM 869 CA LYS A 183 1.385 0.021 -7.650 1.00 0.00 C ATOM 870 C LYS A 183 2.835 0.426 -7.894 1.00 0.00 C ATOM 871 O LYS A 183 3.153 1.051 -8.907 1.00 0.00 O ATOM 872 CB LYS A 183 1.054 -1.245 -8.443 1.00 0.00 C ATOM 873 CG LYS A 183 0.908 -2.486 -7.576 1.00 0.00 C ATOM 874 CD LYS A 183 1.187 -3.754 -8.365 1.00 0.00 C ATOM 875 CE LYS A 183 2.657 -4.136 -8.303 1.00 0.00 C ATOM 876 NZ LYS A 183 3.395 -3.705 -9.522 1.00 0.00 N ATOM 0 H LYS A 183 0.553 1.413 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 183 1.260 -0.182 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 183 0.127 -1.086 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.838 -1.417 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.594 -2.424 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -0.101 -2.527 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 183 0.581 -4.570 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 183 0.891 -3.610 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.113 -3.682 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 183 2.747 -5.216 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 3.701 -4.543 -10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.772 -3.123 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 4.228 -3.148 -9.245 1.00 0.00 H new ATOM 890 N ALA A 184 3.711 0.063 -6.963 1.00 0.00 N ATOM 891 CA ALA A 184 5.126 0.386 -7.079 1.00 0.00 C ATOM 892 C ALA A 184 5.910 -0.784 -7.664 1.00 0.00 C ATOM 893 O ALA A 184 5.383 -1.916 -7.643 1.00 0.00 O ATOM 894 CB ALA A 184 5.691 0.775 -5.721 1.00 0.00 C ATOM 895 OXT ALA A 184 7.042 -0.559 -8.137 1.00 0.00 O ATOM 0 H ALA A 184 3.464 -0.455 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 184 5.226 1.232 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.750 1.014 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 184 5.157 1.646 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.572 -0.056 -5.026 1.00 0.00 H new TER 901 ALA A 184