USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 414 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 152 THR OG1 : rot -110:sc= -0.118 USER MOD Set 1.2: A 162 LYS NZ :NH3+ 180:sc= -0.842 (180deg=-0.842) USER MOD Set 2.1: A 136 GLN : amide:sc= -0.0858 X(o=0.79,f=1.2) USER MOD Set 2.2: A 150 THR OG1 : rot 180:sc= -0.0128 USER MOD Set 2.3: A 164 MET CE :methyl -122:sc= -0.366 (180deg=-1.99!) USER MOD Set 2.4: A 166 THR OG1 : rot -48:sc= 1.25 USER MOD Single : A 141 SER OG : rot -32:sc= 0.00555 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.02) USER MOD Single : A 160 LYS NZ :NH3+ 161:sc= -0.556 (180deg=-0.946) USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -0.673 -6.388 0.169 1.00 0.00 N ATOM 77 CA ARG A 132 0.061 -6.800 1.360 1.00 0.00 C ATOM 78 C ARG A 132 0.607 -5.590 2.109 1.00 0.00 C ATOM 79 O ARG A 132 1.213 -4.699 1.513 1.00 0.00 O ATOM 80 CB ARG A 132 1.208 -7.738 0.980 1.00 0.00 C ATOM 81 CG ARG A 132 0.796 -9.200 0.897 1.00 0.00 C ATOM 82 CD ARG A 132 1.515 -9.920 -0.232 1.00 0.00 C ATOM 83 NE ARG A 132 1.863 -11.292 0.126 1.00 0.00 N ATOM 84 CZ ARG A 132 2.631 -12.082 -0.621 1.00 0.00 C ATOM 85 NH1 ARG A 132 3.131 -11.639 -1.767 1.00 0.00 N ATOM 86 NH2 ARG A 132 2.899 -13.317 -0.222 1.00 0.00 N ATOM 0 HA ARG A 132 -0.630 -7.329 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.616 -7.429 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.008 -7.636 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.015 -9.695 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -0.281 -9.267 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.881 -9.927 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.421 -9.373 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 132 1.496 -11.667 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.927 -10.689 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.719 -12.248 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.517 -13.663 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.488 -13.922 -0.795 1.00 0.00 H new ATOM 100 N GLU A 133 0.386 -5.563 3.419 1.00 0.00 N ATOM 101 CA GLU A 133 0.854 -4.460 4.251 1.00 0.00 C ATOM 102 C GLU A 133 2.373 -4.336 4.184 1.00 0.00 C ATOM 103 O GLU A 133 3.099 -5.270 4.525 1.00 0.00 O ATOM 104 CB GLU A 133 0.412 -4.664 5.701 1.00 0.00 C ATOM 105 CG GLU A 133 0.865 -5.989 6.296 1.00 0.00 C ATOM 106 CD GLU A 133 -0.061 -6.485 7.388 1.00 0.00 C ATOM 107 OE1 GLU A 133 -0.098 -5.855 8.466 1.00 0.00 O ATOM 108 OE2 GLU A 133 -0.749 -7.503 7.167 1.00 0.00 O ATOM 0 H GLU A 133 -0.114 -6.292 3.928 1.00 0.00 H new ATOM 0 HA GLU A 133 0.414 -3.538 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.804 -3.849 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.675 -4.605 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.922 -6.737 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.871 -5.876 6.701 1.00 0.00 H new ATOM 115 N GLY A 134 2.847 -3.175 3.742 1.00 0.00 N ATOM 116 CA GLY A 134 4.277 -2.949 3.638 1.00 0.00 C ATOM 117 C GLY A 134 4.760 -2.910 2.200 1.00 0.00 C ATOM 118 O GLY A 134 5.966 -2.933 1.945 1.00 0.00 O ATOM 0 H GLY A 134 2.267 -2.387 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.529 -2.008 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.805 -3.738 4.173 1.00 0.00 H new ATOM 122 N ASP A 135 3.825 -2.849 1.256 1.00 0.00 N ATOM 123 CA ASP A 135 4.172 -2.806 -0.160 1.00 0.00 C ATOM 124 C ASP A 135 4.340 -1.367 -0.636 1.00 0.00 C ATOM 125 O ASP A 135 3.997 -0.424 0.077 1.00 0.00 O ATOM 126 CB ASP A 135 3.097 -3.513 -0.991 1.00 0.00 C ATOM 127 CG ASP A 135 3.690 -4.445 -2.028 1.00 0.00 C ATOM 128 OD1 ASP A 135 4.724 -4.083 -2.630 1.00 0.00 O ATOM 129 OD2 ASP A 135 3.122 -5.535 -2.242 1.00 0.00 O ATOM 0 H ASP A 135 2.823 -2.828 1.446 1.00 0.00 H new ATOM 0 HA ASP A 135 5.122 -3.324 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.443 -4.080 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.477 -2.767 -1.489 1.00 0.00 H new ATOM 134 N GLN A 136 4.867 -1.206 -1.846 1.00 0.00 N ATOM 135 CA GLN A 136 5.079 0.119 -2.416 1.00 0.00 C ATOM 136 C GLN A 136 4.027 0.428 -3.476 1.00 0.00 C ATOM 137 O GLN A 136 3.732 -0.406 -4.334 1.00 0.00 O ATOM 138 CB GLN A 136 6.481 0.219 -3.023 1.00 0.00 C ATOM 139 CG GLN A 136 7.221 1.488 -2.634 1.00 0.00 C ATOM 140 CD GLN A 136 8.083 1.306 -1.400 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.307 1.225 -1.490 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.444 1.240 -0.237 1.00 0.00 N ATOM 0 H GLN A 136 5.155 -1.976 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 136 4.987 0.852 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 136 7.067 -0.645 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.402 0.172 -4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.848 1.808 -3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.499 2.284 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.427 1.312 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 136 7.971 1.117 0.628 1.00 0.00 H new ATOM 151 N VAL A 137 3.463 1.629 -3.412 1.00 0.00 N ATOM 152 CA VAL A 137 2.443 2.046 -4.366 1.00 0.00 C ATOM 153 C VAL A 137 2.604 3.518 -4.736 1.00 0.00 C ATOM 154 O VAL A 137 2.792 4.368 -3.865 1.00 0.00 O ATOM 155 CB VAL A 137 1.026 1.825 -3.803 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.734 0.340 -3.654 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.863 2.544 -2.472 1.00 0.00 C ATOM 0 H VAL A 137 3.695 2.331 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 137 2.574 1.433 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 137 0.307 2.243 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.271 0.205 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.806 -0.144 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.458 -0.107 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.144 2.377 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.591 2.158 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.025 3.613 -2.614 1.00 0.00 H new ATOM 167 N ARG A 138 2.527 3.813 -6.029 1.00 0.00 N ATOM 168 CA ARG A 138 2.663 5.184 -6.508 1.00 0.00 C ATOM 169 C ARG A 138 1.349 5.941 -6.350 1.00 0.00 C ATOM 170 O ARG A 138 0.290 5.340 -6.173 1.00 0.00 O ATOM 171 CB ARG A 138 3.107 5.201 -7.973 1.00 0.00 C ATOM 172 CG ARG A 138 4.385 5.993 -8.216 1.00 0.00 C ATOM 173 CD ARG A 138 5.453 5.142 -8.883 1.00 0.00 C ATOM 174 NE ARG A 138 5.479 5.331 -10.331 1.00 0.00 N ATOM 175 CZ ARG A 138 6.051 4.481 -11.179 1.00 0.00 C ATOM 176 NH1 ARG A 138 6.644 3.382 -10.729 1.00 0.00 N ATOM 177 NH2 ARG A 138 6.029 4.729 -12.481 1.00 0.00 N ATOM 0 H ARG A 138 2.371 3.122 -6.763 1.00 0.00 H new ATOM 0 HA ARG A 138 3.425 5.679 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.256 4.175 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.307 5.623 -8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.164 6.857 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.763 6.375 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 138 6.429 5.393 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.272 4.091 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 138 5.032 6.164 -10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.663 3.186 -9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.081 2.734 -11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 138 5.574 5.571 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.468 4.077 -13.132 1.00 0.00 H new ATOM 191 N VAL A 139 1.428 7.264 -6.418 1.00 0.00 N ATOM 192 CA VAL A 139 0.247 8.111 -6.285 1.00 0.00 C ATOM 193 C VAL A 139 -0.537 8.163 -7.595 1.00 0.00 C ATOM 194 O VAL A 139 -0.043 7.735 -8.639 1.00 0.00 O ATOM 195 CB VAL A 139 0.632 9.544 -5.865 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.600 10.334 -5.449 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.652 9.518 -4.736 1.00 0.00 C ATOM 0 H VAL A 139 2.298 7.775 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.379 7.671 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 139 1.083 10.039 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.305 11.342 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.297 10.388 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -1.082 9.839 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.910 10.539 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.229 9.001 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.549 8.996 -5.068 1.00 0.00 H new ATOM 207 N VAL A 140 -1.763 8.676 -7.535 1.00 0.00 N ATOM 208 CA VAL A 140 -2.615 8.765 -8.719 1.00 0.00 C ATOM 209 C VAL A 140 -2.245 9.954 -9.605 1.00 0.00 C ATOM 210 O VAL A 140 -1.866 9.774 -10.763 1.00 0.00 O ATOM 211 CB VAL A 140 -4.111 8.864 -8.346 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.670 7.485 -8.032 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.336 9.821 -7.177 1.00 0.00 C ATOM 0 H VAL A 140 -2.189 9.036 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.446 7.843 -9.276 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.645 9.269 -9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.725 7.571 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -4.563 6.842 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.123 7.053 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.400 9.865 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.787 9.466 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.982 10.816 -7.448 1.00 0.00 H new ATOM 223 N SER A 141 -2.361 11.167 -9.072 1.00 0.00 N ATOM 224 CA SER A 141 -2.044 12.365 -9.838 1.00 0.00 C ATOM 225 C SER A 141 -1.777 13.554 -8.920 1.00 0.00 C ATOM 226 O SER A 141 -1.598 13.391 -7.713 1.00 0.00 O ATOM 227 CB SER A 141 -3.187 12.696 -10.800 1.00 0.00 C ATOM 228 OG SER A 141 -3.655 11.531 -11.456 1.00 0.00 O ATOM 0 H SER A 141 -2.671 11.345 -8.117 1.00 0.00 H new ATOM 0 HA SER A 141 -1.138 12.166 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.005 13.161 -10.251 1.00 0.00 H new ATOM 0 HB3 SER A 141 -2.846 13.421 -11.539 1.00 0.00 H new ATOM 0 HG SER A 141 -2.910 10.907 -11.586 1.00 0.00 H new ATOM 234 N GLY A 142 -1.755 14.750 -9.501 1.00 0.00 N ATOM 235 CA GLY A 142 -1.510 15.950 -8.723 1.00 0.00 C ATOM 236 C GLY A 142 -0.031 16.194 -8.487 1.00 0.00 C ATOM 237 O GLY A 142 0.808 15.683 -9.229 1.00 0.00 O ATOM 0 H GLY A 142 -1.903 14.909 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.939 16.809 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.020 15.868 -7.763 1.00 0.00 H new ATOM 241 N PRO A 143 0.323 16.973 -7.453 1.00 0.00 N ATOM 242 CA PRO A 143 1.721 17.271 -7.132 1.00 0.00 C ATOM 243 C PRO A 143 2.473 16.045 -6.618 1.00 0.00 C ATOM 244 O PRO A 143 3.698 16.067 -6.488 1.00 0.00 O ATOM 245 CB PRO A 143 1.618 18.333 -6.034 1.00 0.00 C ATOM 246 CG PRO A 143 0.287 18.102 -5.407 1.00 0.00 C ATOM 247 CD PRO A 143 -0.611 17.622 -6.512 1.00 0.00 C ATOM 0 HA PRO A 143 2.278 17.600 -8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.422 18.229 -5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.691 19.339 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.354 17.362 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.099 19.018 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.362 16.923 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.146 18.447 -6.982 1.00 0.00 H new ATOM 255 N PHE A 144 1.735 14.979 -6.322 1.00 0.00 N ATOM 256 CA PHE A 144 2.335 13.748 -5.818 1.00 0.00 C ATOM 257 C PHE A 144 2.324 12.647 -6.876 1.00 0.00 C ATOM 258 O PHE A 144 2.541 11.480 -6.558 1.00 0.00 O ATOM 259 CB PHE A 144 1.582 13.254 -4.579 1.00 0.00 C ATOM 260 CG PHE A 144 1.065 14.352 -3.694 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.917 15.039 -2.844 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.277 14.692 -3.711 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.439 16.046 -2.027 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.762 15.696 -2.898 1.00 0.00 C ATOM 265 CZ PHE A 144 0.096 16.376 -2.055 1.00 0.00 C ATOM 0 H PHE A 144 0.721 14.943 -6.422 1.00 0.00 H new ATOM 0 HA PHE A 144 3.369 13.975 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.743 12.636 -4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.245 12.614 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 144 2.966 14.785 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.952 14.165 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.112 16.574 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.811 15.950 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.281 17.163 -1.419 1.00 0.00 H new ATOM 275 N ALA A 145 2.069 13.013 -8.129 1.00 0.00 N ATOM 276 CA ALA A 145 2.021 12.035 -9.215 1.00 0.00 C ATOM 277 C ALA A 145 3.411 11.562 -9.634 1.00 0.00 C ATOM 278 O ALA A 145 3.661 11.316 -10.814 1.00 0.00 O ATOM 279 CB ALA A 145 1.279 12.613 -10.410 1.00 0.00 C ATOM 0 H ALA A 145 1.893 13.975 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 145 1.484 11.163 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.250 11.875 -11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.261 12.870 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.793 13.508 -10.759 1.00 0.00 H new ATOM 285 N ASP A 146 4.307 11.424 -8.665 1.00 0.00 N ATOM 286 CA ASP A 146 5.661 10.965 -8.938 1.00 0.00 C ATOM 287 C ASP A 146 6.325 10.457 -7.667 1.00 0.00 C ATOM 288 O ASP A 146 7.532 10.607 -7.481 1.00 0.00 O ATOM 289 CB ASP A 146 6.494 12.089 -9.561 1.00 0.00 C ATOM 290 CG ASP A 146 7.272 11.625 -10.778 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.637 11.199 -11.763 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.520 11.689 -10.743 1.00 0.00 O ATOM 0 H ASP A 146 4.119 11.624 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 146 5.603 10.140 -9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.836 12.911 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.188 12.479 -8.816 1.00 0.00 H new ATOM 297 N PHE A 147 5.527 9.857 -6.796 1.00 0.00 N ATOM 298 CA PHE A 147 6.035 9.329 -5.536 1.00 0.00 C ATOM 299 C PHE A 147 5.295 8.058 -5.139 1.00 0.00 C ATOM 300 O PHE A 147 4.225 7.758 -5.669 1.00 0.00 O ATOM 301 CB PHE A 147 5.899 10.372 -4.424 1.00 0.00 C ATOM 302 CG PHE A 147 6.493 11.707 -4.771 1.00 0.00 C ATOM 303 CD1 PHE A 147 5.832 12.576 -5.623 1.00 0.00 C ATOM 304 CD2 PHE A 147 7.715 12.091 -4.243 1.00 0.00 C ATOM 305 CE1 PHE A 147 6.378 13.805 -5.943 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.266 13.319 -4.558 1.00 0.00 C ATOM 307 CZ PHE A 147 7.596 14.178 -5.409 1.00 0.00 C ATOM 0 H PHE A 147 4.526 9.723 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 147 7.089 9.090 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.843 10.504 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.381 9.993 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.879 12.290 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.243 11.424 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 147 5.853 14.473 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 147 9.219 13.607 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.024 15.138 -5.656 1.00 0.00 H new ATOM 317 N THR A 148 5.869 7.319 -4.199 1.00 0.00 N ATOM 318 CA THR A 148 5.264 6.084 -3.720 1.00 0.00 C ATOM 319 C THR A 148 5.020 6.159 -2.218 1.00 0.00 C ATOM 320 O THR A 148 5.222 7.207 -1.602 1.00 0.00 O ATOM 321 CB THR A 148 6.161 4.888 -4.048 1.00 0.00 C ATOM 322 OG1 THR A 148 7.515 5.290 -4.153 1.00 0.00 O ATOM 323 CG2 THR A 148 5.787 4.198 -5.343 1.00 0.00 C ATOM 0 H THR A 148 6.755 7.554 -3.752 1.00 0.00 H new ATOM 0 HA THR A 148 4.306 5.952 -4.224 1.00 0.00 H new ATOM 0 HB THR A 148 6.020 4.187 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.072 4.511 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.461 3.359 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.762 3.832 -5.278 1.00 0.00 H new ATOM 0 HG23 THR A 148 5.868 4.905 -6.169 1.00 0.00 H new ATOM 331 N GLY A 149 4.586 5.052 -1.629 1.00 0.00 N ATOM 332 CA GLY A 149 4.326 5.032 -0.202 1.00 0.00 C ATOM 333 C GLY A 149 4.441 3.644 0.398 1.00 0.00 C ATOM 334 O GLY A 149 4.397 2.643 -0.318 1.00 0.00 O ATOM 0 H GLY A 149 4.410 4.171 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 149 5.027 5.699 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.326 5.422 -0.014 1.00 0.00 H new ATOM 338 N THR A 150 4.590 3.589 1.718 1.00 0.00 N ATOM 339 CA THR A 150 4.713 2.317 2.425 1.00 0.00 C ATOM 340 C THR A 150 3.473 2.043 3.268 1.00 0.00 C ATOM 341 O THR A 150 3.311 2.603 4.354 1.00 0.00 O ATOM 342 CB THR A 150 5.955 2.328 3.317 1.00 0.00 C ATOM 343 OG1 THR A 150 7.120 2.587 2.552 1.00 0.00 O ATOM 344 CG2 THR A 150 6.172 1.025 4.056 1.00 0.00 C ATOM 0 H THR A 150 4.629 4.411 2.321 1.00 0.00 H new ATOM 0 HA THR A 150 4.810 1.524 1.684 1.00 0.00 H new ATOM 0 HB THR A 150 5.779 3.117 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.904 2.592 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.069 1.100 4.670 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.312 0.821 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.291 0.214 3.337 1.00 0.00 H new ATOM 352 N VAL A 151 2.596 1.180 2.764 1.00 0.00 N ATOM 353 CA VAL A 151 1.371 0.835 3.473 1.00 0.00 C ATOM 354 C VAL A 151 1.677 0.230 4.840 1.00 0.00 C ATOM 355 O VAL A 151 2.255 -0.852 4.934 1.00 0.00 O ATOM 356 CB VAL A 151 0.512 -0.161 2.665 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.826 -0.393 3.350 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.311 0.339 1.241 1.00 0.00 C ATOM 0 H VAL A 151 2.712 0.708 1.867 1.00 0.00 H new ATOM 0 HA VAL A 151 0.813 1.762 3.605 1.00 0.00 H new ATOM 0 HB VAL A 151 1.040 -1.113 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.417 -1.098 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.658 -0.800 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.363 0.552 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.297 -0.376 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.194 1.305 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.280 0.447 0.753 1.00 0.00 H new ATOM 368 N THR A 152 1.286 0.936 5.896 1.00 0.00 N ATOM 369 CA THR A 152 1.521 0.467 7.258 1.00 0.00 C ATOM 370 C THR A 152 0.435 -0.514 7.690 1.00 0.00 C ATOM 371 O THR A 152 0.718 -1.672 7.996 1.00 0.00 O ATOM 372 CB THR A 152 1.570 1.649 8.227 1.00 0.00 C ATOM 373 OG1 THR A 152 0.771 2.719 7.754 1.00 0.00 O ATOM 374 CG2 THR A 152 2.968 2.184 8.448 1.00 0.00 C ATOM 0 H THR A 152 0.806 1.834 5.836 1.00 0.00 H new ATOM 0 HA THR A 152 2.481 -0.049 7.277 1.00 0.00 H new ATOM 0 HB THR A 152 1.192 1.262 9.173 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.349 3.459 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 152 2.931 3.021 9.145 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.598 1.396 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.383 2.521 7.498 1.00 0.00 H new ATOM 382 N GLU A 153 -0.806 -0.041 7.713 1.00 0.00 N ATOM 383 CA GLU A 153 -1.934 -0.876 8.111 1.00 0.00 C ATOM 384 C GLU A 153 -3.101 -0.712 7.142 1.00 0.00 C ATOM 385 O GLU A 153 -3.101 0.185 6.299 1.00 0.00 O ATOM 386 CB GLU A 153 -2.383 -0.520 9.529 1.00 0.00 C ATOM 387 CG GLU A 153 -1.491 -1.101 10.614 1.00 0.00 C ATOM 388 CD GLU A 153 -1.414 -0.215 11.842 1.00 0.00 C ATOM 389 OE1 GLU A 153 -1.523 1.019 11.691 1.00 0.00 O ATOM 390 OE2 GLU A 153 -1.248 -0.757 12.955 1.00 0.00 O ATOM 0 H GLU A 153 -1.057 0.915 7.461 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.609 -1.916 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.406 0.565 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.402 -0.877 9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.868 -2.083 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.488 -1.249 10.214 1.00 0.00 H new ATOM 397 N ILE A 154 -4.094 -1.585 7.269 1.00 0.00 N ATOM 398 CA ILE A 154 -5.268 -1.539 6.406 1.00 0.00 C ATOM 399 C ILE A 154 -6.553 -1.505 7.229 1.00 0.00 C ATOM 400 O ILE A 154 -6.700 -2.250 8.198 1.00 0.00 O ATOM 401 CB ILE A 154 -5.314 -2.749 5.452 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.973 -2.913 4.733 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.445 -2.590 4.447 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.483 -4.345 4.689 1.00 0.00 C ATOM 0 H ILE A 154 -4.109 -2.333 7.962 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.192 -0.625 5.817 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.501 -3.648 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.068 -2.538 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.225 -2.296 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.464 -3.453 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.395 -2.520 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.288 -1.684 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.528 -4.387 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.356 -4.717 5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.212 -4.963 4.165 1.00 0.00 H new ATOM 416 N ASN A 155 -7.479 -0.635 6.837 1.00 0.00 N ATOM 417 CA ASN A 155 -8.751 -0.504 7.538 1.00 0.00 C ATOM 418 C ASN A 155 -9.890 -1.103 6.717 1.00 0.00 C ATOM 419 O ASN A 155 -10.584 -0.392 5.992 1.00 0.00 O ATOM 420 CB ASN A 155 -9.040 0.969 7.840 1.00 0.00 C ATOM 421 CG ASN A 155 -8.812 1.317 9.297 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.793 0.952 9.882 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.764 2.029 9.892 1.00 0.00 N ATOM 0 H ASN A 155 -7.372 -0.010 6.038 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.679 -1.053 8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.404 1.596 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.072 1.196 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.666 2.294 10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -10.593 2.310 9.368 1.00 0.00 H new ATOM 430 N PRO A 156 -10.099 -2.428 6.822 1.00 0.00 N ATOM 431 CA PRO A 156 -11.159 -3.121 6.085 1.00 0.00 C ATOM 432 C PRO A 156 -12.550 -2.772 6.608 1.00 0.00 C ATOM 433 O PRO A 156 -13.531 -2.814 5.866 1.00 0.00 O ATOM 434 CB PRO A 156 -10.854 -4.600 6.328 1.00 0.00 C ATOM 435 CG PRO A 156 -10.114 -4.626 7.619 1.00 0.00 C ATOM 436 CD PRO A 156 -9.316 -3.351 7.666 1.00 0.00 C ATOM 0 HA PRO A 156 -11.171 -2.843 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.769 -5.189 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.255 -5.019 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.802 -4.687 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.461 -5.497 7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.216 -2.977 8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.307 -3.493 7.278 1.00 0.00 H new ATOM 444 N GLU A 157 -12.625 -2.431 7.890 1.00 0.00 N ATOM 445 CA GLU A 157 -13.896 -2.078 8.513 1.00 0.00 C ATOM 446 C GLU A 157 -14.426 -0.758 7.962 1.00 0.00 C ATOM 447 O GLU A 157 -15.635 -0.570 7.831 1.00 0.00 O ATOM 448 CB GLU A 157 -13.734 -1.983 10.031 1.00 0.00 C ATOM 449 CG GLU A 157 -14.026 -3.286 10.757 1.00 0.00 C ATOM 450 CD GLU A 157 -13.655 -3.231 12.227 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.088 -2.283 12.915 1.00 0.00 O ATOM 452 OE2 GLU A 157 -12.931 -4.138 12.690 1.00 0.00 O ATOM 0 H GLU A 157 -11.822 -2.391 8.518 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.616 -2.862 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.716 -1.669 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.399 -1.208 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.086 -3.521 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.476 -4.096 10.277 1.00 0.00 H new ATOM 459 N ARG A 158 -13.513 0.154 7.642 1.00 0.00 N ATOM 460 CA ARG A 158 -13.891 1.457 7.106 1.00 0.00 C ATOM 461 C ARG A 158 -13.697 1.502 5.594 1.00 0.00 C ATOM 462 O ARG A 158 -14.631 1.794 4.847 1.00 0.00 O ATOM 463 CB ARG A 158 -13.068 2.562 7.771 1.00 0.00 C ATOM 464 CG ARG A 158 -13.579 2.954 9.148 1.00 0.00 C ATOM 465 CD ARG A 158 -14.878 3.737 9.060 1.00 0.00 C ATOM 466 NE ARG A 158 -15.315 4.224 10.365 1.00 0.00 N ATOM 467 CZ ARG A 158 -16.197 5.206 10.534 1.00 0.00 C ATOM 468 NH1 ARG A 158 -16.741 5.805 9.481 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.538 5.589 11.755 1.00 0.00 N ATOM 0 H ARG A 158 -12.508 0.015 7.744 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.947 1.619 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.033 2.231 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.069 3.442 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.734 2.057 9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -12.826 3.554 9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -14.747 4.582 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -15.654 3.103 8.631 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.921 3.785 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -16.483 5.513 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -17.417 6.557 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.124 5.131 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -17.214 6.342 11.883 1.00 0.00 H new ATOM 483 N GLY A 159 -12.479 1.213 5.149 1.00 0.00 N ATOM 484 CA GLY A 159 -12.184 1.227 3.727 1.00 0.00 C ATOM 485 C GLY A 159 -11.070 2.194 3.375 1.00 0.00 C ATOM 486 O GLY A 159 -11.113 2.847 2.333 1.00 0.00 O ATOM 0 H GLY A 159 -11.690 0.969 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.904 0.223 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.084 1.498 3.175 1.00 0.00 H new ATOM 490 N LYS A 160 -10.070 2.285 4.246 1.00 0.00 N ATOM 491 CA LYS A 160 -8.939 3.177 4.021 1.00 0.00 C ATOM 492 C LYS A 160 -7.619 2.420 4.134 1.00 0.00 C ATOM 493 O LYS A 160 -7.599 1.238 4.471 1.00 0.00 O ATOM 494 CB LYS A 160 -8.966 4.329 5.026 1.00 0.00 C ATOM 495 CG LYS A 160 -9.974 5.414 4.681 1.00 0.00 C ATOM 496 CD LYS A 160 -11.377 5.035 5.127 1.00 0.00 C ATOM 497 CE LYS A 160 -11.660 5.516 6.541 1.00 0.00 C ATOM 498 NZ LYS A 160 -13.090 5.886 6.726 1.00 0.00 N ATOM 0 H LYS A 160 -10.020 1.752 5.114 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.021 3.581 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.196 3.932 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -7.972 4.773 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -9.680 6.349 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -9.968 5.588 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -12.107 5.466 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -11.495 3.953 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.393 4.733 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.030 6.377 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -13.317 5.896 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -13.259 6.830 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -13.694 5.191 6.243 1.00 0.00 H new ATOM 512 N VAL A 161 -6.519 3.110 3.848 1.00 0.00 N ATOM 513 CA VAL A 161 -5.197 2.499 3.916 1.00 0.00 C ATOM 514 C VAL A 161 -4.129 3.535 4.249 1.00 0.00 C ATOM 515 O VAL A 161 -3.931 4.498 3.507 1.00 0.00 O ATOM 516 CB VAL A 161 -4.831 1.806 2.591 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.676 0.559 2.389 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.995 2.767 1.422 1.00 0.00 C ATOM 0 H VAL A 161 -6.517 4.091 3.568 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.233 1.752 4.709 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.785 1.503 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.403 0.083 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.502 -0.136 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.730 0.834 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.732 2.259 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.030 3.104 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.340 3.627 1.563 1.00 0.00 H new ATOM 528 N LYS A 162 -3.440 3.330 5.367 1.00 0.00 N ATOM 529 CA LYS A 162 -2.388 4.247 5.794 1.00 0.00 C ATOM 530 C LYS A 162 -1.098 3.980 5.031 1.00 0.00 C ATOM 531 O LYS A 162 -0.714 2.829 4.826 1.00 0.00 O ATOM 532 CB LYS A 162 -2.143 4.117 7.298 1.00 0.00 C ATOM 533 CG LYS A 162 -1.246 5.206 7.862 1.00 0.00 C ATOM 534 CD LYS A 162 -1.453 5.381 9.358 1.00 0.00 C ATOM 535 CE LYS A 162 -0.354 4.700 10.158 1.00 0.00 C ATOM 536 NZ LYS A 162 -0.805 3.399 10.727 1.00 0.00 N ATOM 0 H LYS A 162 -3.590 2.539 5.993 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.716 5.264 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.101 4.141 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.694 3.145 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.203 4.958 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.451 6.148 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.476 6.443 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -2.421 4.968 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.512 4.535 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -0.033 5.357 10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -0.027 2.967 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -1.616 3.559 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.088 2.762 9.955 1.00 0.00 H new ATOM 550 N VAL A 163 -0.432 5.051 4.610 1.00 0.00 N ATOM 551 CA VAL A 163 0.816 4.928 3.866 1.00 0.00 C ATOM 552 C VAL A 163 1.735 6.113 4.141 1.00 0.00 C ATOM 553 O VAL A 163 1.272 7.233 4.355 1.00 0.00 O ATOM 554 CB VAL A 163 0.555 4.835 2.349 1.00 0.00 C ATOM 555 CG1 VAL A 163 1.796 4.345 1.620 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.632 3.925 2.064 1.00 0.00 C ATOM 0 H VAL A 163 -0.735 6.011 4.771 1.00 0.00 H new ATOM 0 HA VAL A 163 1.300 4.011 4.202 1.00 0.00 H new ATOM 0 HB VAL A 163 0.316 5.833 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.591 4.286 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 163 2.618 5.039 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 163 2.070 3.358 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.800 3.872 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.425 2.926 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -1.522 4.324 2.551 1.00 0.00 H new ATOM 566 N MET A 164 3.040 5.859 4.136 1.00 0.00 N ATOM 567 CA MET A 164 4.021 6.907 4.388 1.00 0.00 C ATOM 568 C MET A 164 4.652 7.391 3.085 1.00 0.00 C ATOM 569 O MET A 164 5.148 6.593 2.290 1.00 0.00 O ATOM 570 CB MET A 164 5.102 6.404 5.353 1.00 0.00 C ATOM 571 CG MET A 164 6.141 5.495 4.709 1.00 0.00 C ATOM 572 SD MET A 164 7.686 6.354 4.351 1.00 0.00 S ATOM 573 CE MET A 164 8.001 5.809 2.674 1.00 0.00 C ATOM 0 H MET A 164 3.441 4.938 3.960 1.00 0.00 H new ATOM 0 HA MET A 164 3.506 7.751 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.609 7.263 5.792 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.622 5.866 6.170 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.343 4.653 5.371 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.736 5.083 3.785 1.00 0.00 H new ATOM 0 HE1 MET A 164 8.971 5.314 2.629 1.00 0.00 H new ATOM 0 HE2 MET A 164 7.222 5.111 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.002 6.670 2.006 1.00 0.00 H new ATOM 583 N VAL A 165 4.628 8.702 2.869 1.00 0.00 N ATOM 584 CA VAL A 165 5.198 9.285 1.660 1.00 0.00 C ATOM 585 C VAL A 165 6.505 10.009 1.965 1.00 0.00 C ATOM 586 O VAL A 165 6.679 10.566 3.049 1.00 0.00 O ATOM 587 CB VAL A 165 4.222 10.272 0.990 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.135 9.522 0.236 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.616 11.211 2.023 1.00 0.00 C ATOM 0 H VAL A 165 4.221 9.379 3.514 1.00 0.00 H new ATOM 0 HA VAL A 165 5.391 8.460 0.974 1.00 0.00 H new ATOM 0 HB VAL A 165 4.780 10.873 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.456 10.236 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.590 8.899 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.579 8.893 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.930 11.900 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.074 10.630 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.410 11.776 2.511 1.00 0.00 H new ATOM 599 N THR A 166 7.421 9.996 1.003 1.00 0.00 N ATOM 600 CA THR A 166 8.713 10.652 1.169 1.00 0.00 C ATOM 601 C THR A 166 8.841 11.849 0.235 1.00 0.00 C ATOM 602 O THR A 166 9.381 11.737 -0.865 1.00 0.00 O ATOM 603 CB THR A 166 9.848 9.660 0.906 1.00 0.00 C ATOM 604 OG1 THR A 166 9.734 8.530 1.752 1.00 0.00 O ATOM 605 CG2 THR A 166 11.223 10.256 1.118 1.00 0.00 C ATOM 0 H THR A 166 7.293 9.539 0.100 1.00 0.00 H new ATOM 0 HA THR A 166 8.782 11.009 2.196 1.00 0.00 H new ATOM 0 HB THR A 166 9.749 9.379 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 166 9.586 8.826 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.982 9.501 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 166 11.362 11.100 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 166 11.317 10.597 2.149 1.00 0.00 H new ATOM 613 N ILE A 167 8.341 12.995 0.682 1.00 0.00 N ATOM 614 CA ILE A 167 8.399 14.217 -0.112 1.00 0.00 C ATOM 615 C ILE A 167 9.573 15.093 0.316 1.00 0.00 C ATOM 616 O ILE A 167 9.722 15.415 1.494 1.00 0.00 O ATOM 617 CB ILE A 167 7.095 15.029 0.008 1.00 0.00 C ATOM 618 CG1 ILE A 167 5.884 14.130 -0.242 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.106 16.197 -0.968 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.359 13.460 1.009 1.00 0.00 C ATOM 0 H ILE A 167 7.891 13.104 1.591 1.00 0.00 H new ATOM 0 HA ILE A 167 8.533 13.914 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 167 7.025 15.428 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.086 14.724 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.155 13.364 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.178 16.761 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.951 16.848 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.196 15.819 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.500 12.838 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.141 12.838 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 167 5.057 14.220 1.729 1.00 0.00 H new ATOM 632 N PHE A 168 10.403 15.473 -0.651 1.00 0.00 N ATOM 633 CA PHE A 168 11.564 16.311 -0.374 1.00 0.00 C ATOM 634 C PHE A 168 12.526 15.610 0.580 1.00 0.00 C ATOM 635 O PHE A 168 13.214 16.257 1.370 1.00 0.00 O ATOM 636 CB PHE A 168 11.123 17.651 0.223 1.00 0.00 C ATOM 637 CG PHE A 168 10.807 18.692 -0.813 1.00 0.00 C ATOM 638 CD1 PHE A 168 11.763 19.083 -1.735 1.00 0.00 C ATOM 639 CD2 PHE A 168 9.553 19.279 -0.861 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.475 20.041 -2.689 1.00 0.00 C ATOM 641 CE2 PHE A 168 9.260 20.240 -1.811 1.00 0.00 C ATOM 642 CZ PHE A 168 10.221 20.620 -2.726 1.00 0.00 C ATOM 0 H PHE A 168 10.293 15.214 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 168 12.081 16.493 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.243 17.490 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.911 18.026 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 168 12.745 18.634 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 168 8.797 18.983 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 168 12.229 20.336 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 168 8.280 20.693 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 168 9.993 21.369 -3.470 1.00 0.00 H new ATOM 652 N GLY A 169 12.570 14.285 0.500 1.00 0.00 N ATOM 653 CA GLY A 169 13.450 13.518 1.363 1.00 0.00 C ATOM 654 C GLY A 169 13.007 13.540 2.812 1.00 0.00 C ATOM 655 O GLY A 169 13.834 13.607 3.721 1.00 0.00 O ATOM 0 H GLY A 169 12.012 13.728 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.487 12.486 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.462 13.916 1.290 1.00 0.00 H new ATOM 659 N ARG A 170 11.697 13.485 3.029 1.00 0.00 N ATOM 660 CA ARG A 170 11.144 13.500 4.378 1.00 0.00 C ATOM 661 C ARG A 170 9.874 12.661 4.455 1.00 0.00 C ATOM 662 O ARG A 170 9.001 12.756 3.592 1.00 0.00 O ATOM 663 CB ARG A 170 10.850 14.937 4.815 1.00 0.00 C ATOM 664 CG ARG A 170 12.100 15.766 5.057 1.00 0.00 C ATOM 665 CD ARG A 170 12.778 15.383 6.362 1.00 0.00 C ATOM 666 NE ARG A 170 13.830 16.328 6.731 1.00 0.00 N ATOM 667 CZ ARG A 170 15.017 16.387 6.133 1.00 0.00 C ATOM 668 NH1 ARG A 170 15.308 15.558 5.136 1.00 0.00 N ATOM 669 NH2 ARG A 170 15.916 17.276 6.530 1.00 0.00 N ATOM 0 H ARG A 170 10.999 13.430 2.288 1.00 0.00 H new ATOM 0 HA ARG A 170 11.883 13.067 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.244 15.424 4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.255 14.916 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.796 15.627 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.838 16.824 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 170 12.034 15.340 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 170 13.204 14.384 6.269 1.00 0.00 H new ATOM 0 HE ARG A 170 13.643 16.981 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 170 14.620 14.872 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 170 16.220 15.608 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 170 15.698 17.915 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 170 16.826 17.321 6.071 1.00 0.00 H new ATOM 683 N GLU A 171 9.777 11.837 5.494 1.00 0.00 N ATOM 684 CA GLU A 171 8.614 10.978 5.683 1.00 0.00 C ATOM 685 C GLU A 171 7.398 11.795 6.110 1.00 0.00 C ATOM 686 O GLU A 171 7.529 12.810 6.795 1.00 0.00 O ATOM 687 CB GLU A 171 8.912 9.903 6.730 1.00 0.00 C ATOM 688 CG GLU A 171 10.257 9.221 6.533 1.00 0.00 C ATOM 689 CD GLU A 171 10.404 8.607 5.155 1.00 0.00 C ATOM 690 OE1 GLU A 171 10.242 9.340 4.158 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.681 7.392 5.074 1.00 0.00 O ATOM 0 H GLU A 171 10.490 11.746 6.218 1.00 0.00 H new ATOM 0 HA GLU A 171 8.391 10.497 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.885 10.355 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.124 9.150 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 171 11.055 9.947 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.380 8.444 7.288 1.00 0.00 H new ATOM 698 N THR A 172 6.216 11.346 5.700 1.00 0.00 N ATOM 699 CA THR A 172 4.977 12.035 6.039 1.00 0.00 C ATOM 700 C THR A 172 3.787 11.081 5.961 1.00 0.00 C ATOM 701 O THR A 172 3.142 10.964 4.919 1.00 0.00 O ATOM 702 CB THR A 172 4.756 13.221 5.098 1.00 0.00 C ATOM 703 OG1 THR A 172 5.987 13.849 4.785 1.00 0.00 O ATOM 704 CG2 THR A 172 3.836 14.276 5.671 1.00 0.00 C ATOM 0 H THR A 172 6.091 10.508 5.132 1.00 0.00 H new ATOM 0 HA THR A 172 5.061 12.402 7.062 1.00 0.00 H new ATOM 0 HB THR A 172 4.289 12.800 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.825 14.604 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.722 15.088 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.861 13.835 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.261 14.666 6.596 1.00 0.00 H new ATOM 712 N PRO A 173 3.479 10.383 7.067 1.00 0.00 N ATOM 713 CA PRO A 173 2.360 9.436 7.118 1.00 0.00 C ATOM 714 C PRO A 173 1.059 10.048 6.609 1.00 0.00 C ATOM 715 O PRO A 173 0.530 10.989 7.201 1.00 0.00 O ATOM 716 CB PRO A 173 2.247 9.099 8.606 1.00 0.00 C ATOM 717 CG PRO A 173 3.615 9.321 9.148 1.00 0.00 C ATOM 718 CD PRO A 173 4.196 10.460 8.356 1.00 0.00 C ATOM 0 HA PRO A 173 2.532 8.567 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.516 9.737 9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 173 1.924 8.069 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 173 3.579 9.563 10.210 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.225 8.424 9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.032 11.418 8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.272 10.350 8.224 1.00 0.00 H new ATOM 726 N VAL A 174 0.550 9.509 5.507 1.00 0.00 N ATOM 727 CA VAL A 174 -0.689 10.003 4.916 1.00 0.00 C ATOM 728 C VAL A 174 -1.672 8.862 4.669 1.00 0.00 C ATOM 729 O VAL A 174 -1.276 7.759 4.294 1.00 0.00 O ATOM 730 CB VAL A 174 -0.421 10.738 3.588 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.215 9.800 2.571 1.00 0.00 C ATOM 732 CG2 VAL A 174 -1.706 11.340 3.038 1.00 0.00 C ATOM 0 H VAL A 174 0.976 8.730 5.005 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.125 10.704 5.628 1.00 0.00 H new ATOM 0 HB VAL A 174 0.279 11.551 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.395 10.340 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 174 1.161 9.426 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -0.455 8.962 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -1.495 11.854 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -2.433 10.547 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -2.112 12.050 3.758 1.00 0.00 H new ATOM 742 N GLU A 175 -2.955 9.139 4.882 1.00 0.00 N ATOM 743 CA GLU A 175 -3.996 8.137 4.682 1.00 0.00 C ATOM 744 C GLU A 175 -4.660 8.309 3.320 1.00 0.00 C ATOM 745 O GLU A 175 -5.210 9.369 3.017 1.00 0.00 O ATOM 746 CB GLU A 175 -5.046 8.231 5.789 1.00 0.00 C ATOM 747 CG GLU A 175 -5.521 9.650 6.057 1.00 0.00 C ATOM 748 CD GLU A 175 -6.701 9.699 7.008 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.600 9.121 8.110 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.727 10.316 6.649 1.00 0.00 O ATOM 0 H GLU A 175 -3.298 10.048 5.193 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.529 7.153 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.903 7.615 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.632 7.816 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.699 10.232 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.799 10.121 5.114 1.00 0.00 H new ATOM 757 N LEU A 176 -4.604 7.262 2.502 1.00 0.00 N ATOM 758 CA LEU A 176 -5.200 7.298 1.169 1.00 0.00 C ATOM 759 C LEU A 176 -6.141 6.125 0.965 1.00 0.00 C ATOM 760 O LEU A 176 -6.584 5.486 1.919 1.00 0.00 O ATOM 761 CB LEU A 176 -4.126 7.236 0.077 1.00 0.00 C ATOM 762 CG LEU A 176 -2.693 7.561 0.512 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.640 8.891 1.250 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.128 6.439 1.373 1.00 0.00 C ATOM 0 H LEU A 176 -4.152 6.378 2.738 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.748 8.237 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.134 6.235 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.407 7.927 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.076 7.648 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.613 9.101 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.996 9.685 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -3.273 8.841 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.110 6.688 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.747 6.315 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -2.122 5.510 0.802 1.00 0.00 H new ATOM 776 N ASP A 177 -6.412 5.832 -0.302 1.00 0.00 N ATOM 777 CA ASP A 177 -7.262 4.723 -0.660 1.00 0.00 C ATOM 778 C ASP A 177 -6.816 4.136 -1.993 1.00 0.00 C ATOM 779 O ASP A 177 -6.187 4.813 -2.803 1.00 0.00 O ATOM 780 CB ASP A 177 -8.730 5.151 -0.728 1.00 0.00 C ATOM 781 CG ASP A 177 -9.114 6.096 0.395 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.049 5.679 1.570 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.481 7.252 0.097 1.00 0.00 O ATOM 0 H ASP A 177 -6.048 6.357 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.173 3.960 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.920 5.635 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.365 4.266 -0.687 1.00 0.00 H new ATOM 788 N PHE A 178 -7.135 2.868 -2.204 1.00 0.00 N ATOM 789 CA PHE A 178 -6.762 2.170 -3.434 1.00 0.00 C ATOM 790 C PHE A 178 -7.113 2.993 -4.673 1.00 0.00 C ATOM 791 O PHE A 178 -6.406 2.945 -5.680 1.00 0.00 O ATOM 792 CB PHE A 178 -7.459 0.809 -3.502 1.00 0.00 C ATOM 793 CG PHE A 178 -7.394 0.034 -2.216 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.179 -0.192 -1.589 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.548 -0.467 -1.636 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.118 -0.905 -0.405 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.492 -1.180 -0.454 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.276 -1.399 0.162 1.00 0.00 C ATOM 0 H PHE A 178 -7.654 2.295 -1.538 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.682 2.025 -3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.504 0.959 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.005 0.217 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.271 0.192 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.502 -0.298 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.166 -1.075 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -9.399 -1.566 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 178 -7.231 -1.956 1.086 1.00 0.00 H new ATOM 808 N SER A 179 -8.208 3.744 -4.594 1.00 0.00 N ATOM 809 CA SER A 179 -8.650 4.572 -5.713 1.00 0.00 C ATOM 810 C SER A 179 -7.832 5.861 -5.819 1.00 0.00 C ATOM 811 O SER A 179 -8.037 6.660 -6.734 1.00 0.00 O ATOM 812 CB SER A 179 -10.134 4.913 -5.563 1.00 0.00 C ATOM 813 OG SER A 179 -10.359 5.725 -4.425 1.00 0.00 O ATOM 0 H SER A 179 -8.805 3.797 -3.769 1.00 0.00 H new ATOM 0 HA SER A 179 -8.497 3.999 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.484 5.430 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.714 3.994 -5.478 1.00 0.00 H new ATOM 0 HG SER A 179 -11.315 5.930 -4.353 1.00 0.00 H new ATOM 819 N GLN A 180 -6.908 6.063 -4.883 1.00 0.00 N ATOM 820 CA GLN A 180 -6.069 7.257 -4.880 1.00 0.00 C ATOM 821 C GLN A 180 -4.597 6.910 -5.104 1.00 0.00 C ATOM 822 O GLN A 180 -3.749 7.800 -5.183 1.00 0.00 O ATOM 823 CB GLN A 180 -6.229 8.008 -3.557 1.00 0.00 C ATOM 824 CG GLN A 180 -7.470 8.883 -3.497 1.00 0.00 C ATOM 825 CD GLN A 180 -7.234 10.182 -2.750 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.590 10.312 -1.580 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.629 11.152 -3.427 1.00 0.00 N ATOM 0 H GLN A 180 -6.722 5.415 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.394 7.894 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.265 7.286 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.349 8.630 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.801 9.107 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.276 8.331 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.351 11.000 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.443 12.048 -2.977 1.00 0.00 H new ATOM 836 N VAL A 181 -4.293 5.617 -5.206 1.00 0.00 N ATOM 837 CA VAL A 181 -2.920 5.174 -5.419 1.00 0.00 C ATOM 838 C VAL A 181 -2.858 4.005 -6.396 1.00 0.00 C ATOM 839 O VAL A 181 -3.887 3.454 -6.787 1.00 0.00 O ATOM 840 CB VAL A 181 -2.253 4.757 -4.096 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.030 5.967 -3.203 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.092 3.706 -3.383 1.00 0.00 C ATOM 0 H VAL A 181 -4.977 4.863 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.380 6.022 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.281 4.320 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.558 5.651 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.384 6.682 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.988 6.437 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.605 3.423 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.080 4.114 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.193 2.827 -4.020 1.00 0.00 H new ATOM 852 N VAL A 182 -1.643 3.632 -6.787 1.00 0.00 N ATOM 853 CA VAL A 182 -1.443 2.529 -7.719 1.00 0.00 C ATOM 854 C VAL A 182 -0.294 1.631 -7.273 1.00 0.00 C ATOM 855 O VAL A 182 0.686 2.102 -6.694 1.00 0.00 O ATOM 856 CB VAL A 182 -1.153 3.040 -9.143 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.354 3.792 -9.694 1.00 0.00 C ATOM 858 CG2 VAL A 182 0.086 3.923 -9.153 1.00 0.00 C ATOM 0 H VAL A 182 -0.782 4.078 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.369 1.954 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.963 2.180 -9.786 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.131 4.146 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.217 3.127 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.576 4.644 -9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.274 4.274 -10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.072 4.779 -8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.944 3.350 -8.802 1.00 0.00 H new ATOM 868 N LYS A 183 -0.418 0.337 -7.549 1.00 0.00 N ATOM 869 CA LYS A 183 0.612 -0.625 -7.178 1.00 0.00 C ATOM 870 C LYS A 183 1.764 -0.601 -8.176 1.00 0.00 C ATOM 871 O LYS A 183 1.551 -0.658 -9.387 1.00 0.00 O ATOM 872 CB LYS A 183 0.018 -2.033 -7.096 1.00 0.00 C ATOM 873 CG LYS A 183 -0.300 -2.477 -5.677 1.00 0.00 C ATOM 874 CD LYS A 183 -0.524 -3.978 -5.601 1.00 0.00 C ATOM 875 CE LYS A 183 -1.990 -4.333 -5.793 1.00 0.00 C ATOM 876 NZ LYS A 183 -2.434 -5.391 -4.845 1.00 0.00 N ATOM 0 H LYS A 183 -1.222 -0.069 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 183 1.000 -0.345 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.894 -2.069 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.718 -2.740 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.519 -2.196 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -1.190 -1.957 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 183 0.075 -4.475 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -0.182 -4.350 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -2.601 -3.441 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.150 -4.672 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -3.439 -5.604 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.869 -6.251 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -2.305 -5.058 -3.868 1.00 0.00 H new ATOM 890 N ALA A 184 2.986 -0.518 -7.659 1.00 0.00 N ATOM 891 CA ALA A 184 4.173 -0.486 -8.505 1.00 0.00 C ATOM 892 C ALA A 184 4.776 -1.878 -8.655 1.00 0.00 C ATOM 893 O ALA A 184 4.698 -2.440 -9.768 1.00 0.00 O ATOM 894 CB ALA A 184 5.201 0.479 -7.934 1.00 0.00 C ATOM 895 OXT ALA A 184 5.325 -2.395 -7.660 1.00 0.00 O ATOM 0 H ALA A 184 3.180 -0.472 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 184 3.876 -0.139 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.082 0.493 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.772 1.480 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.486 0.156 -6.933 1.00 0.00 H new