USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=10 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 Single : A 136 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.6!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -165:sc= -0.119 (180deg=-0.691) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -36:sc=-0.00871! USER MOD Single : A 179 SER OG : rot 180:sc= 0.05 USER MOD Single : A 180 GLN : amide:sc= -2.15 X(o=-2.1,f=-2.6) USER MOD Single : A 183 LYS NZ :NH3+ 172:sc= -0.175 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -0.401 -6.630 -0.829 1.00 0.00 N ATOM 77 CA ARG A 132 0.070 -7.127 0.458 1.00 0.00 C ATOM 78 C ARG A 132 0.553 -5.980 1.341 1.00 0.00 C ATOM 79 O ARG A 132 1.000 -4.947 0.844 1.00 0.00 O ATOM 80 CB ARG A 132 1.199 -8.142 0.253 1.00 0.00 C ATOM 81 CG ARG A 132 0.738 -9.589 0.330 1.00 0.00 C ATOM 82 CD ARG A 132 1.440 -10.345 1.451 1.00 0.00 C ATOM 83 NE ARG A 132 0.548 -10.601 2.578 1.00 0.00 N ATOM 84 CZ ARG A 132 -0.350 -11.584 2.604 1.00 0.00 C ATOM 85 NH1 ARG A 132 -0.476 -12.406 1.571 1.00 0.00 N ATOM 86 NH2 ARG A 132 -1.125 -11.745 3.669 1.00 0.00 N ATOM 0 HA ARG A 132 -0.764 -7.618 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.661 -7.968 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.969 -7.974 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -0.340 -9.620 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.933 -10.084 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 132 1.821 -11.292 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.301 -9.770 1.793 1.00 0.00 H new ATOM 0 HE ARG A 132 0.617 -9.991 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 132 0.117 -12.287 0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -1.166 -13.157 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -1.033 -11.116 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -1.813 -12.498 3.690 1.00 0.00 H new ATOM 100 N GLU A 133 0.460 -6.171 2.653 1.00 0.00 N ATOM 101 CA GLU A 133 0.889 -5.150 3.604 1.00 0.00 C ATOM 102 C GLU A 133 2.401 -4.962 3.559 1.00 0.00 C ATOM 103 O GLU A 133 3.153 -5.930 3.437 1.00 0.00 O ATOM 104 CB GLU A 133 0.453 -5.528 5.022 1.00 0.00 C ATOM 105 CG GLU A 133 0.942 -6.898 5.465 1.00 0.00 C ATOM 106 CD GLU A 133 -0.115 -7.675 6.227 1.00 0.00 C ATOM 107 OE1 GLU A 133 -1.314 -7.495 5.929 1.00 0.00 O ATOM 108 OE2 GLU A 133 0.259 -8.461 7.122 1.00 0.00 O ATOM 0 H GLU A 133 0.093 -7.021 3.082 1.00 0.00 H new ATOM 0 HA GLU A 133 0.416 -4.209 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.823 -4.776 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.635 -5.505 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.249 -7.471 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.824 -6.779 6.094 1.00 0.00 H new ATOM 115 N GLY A 134 2.839 -3.711 3.655 1.00 0.00 N ATOM 116 CA GLY A 134 4.260 -3.419 3.621 1.00 0.00 C ATOM 117 C GLY A 134 4.752 -3.080 2.226 1.00 0.00 C ATOM 118 O GLY A 134 5.792 -2.443 2.067 1.00 0.00 O ATOM 0 H GLY A 134 2.236 -2.895 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.472 -2.585 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.813 -4.279 3.999 1.00 0.00 H new ATOM 122 N ASP A 135 4.004 -3.508 1.215 1.00 0.00 N ATOM 123 CA ASP A 135 4.371 -3.247 -0.171 1.00 0.00 C ATOM 124 C ASP A 135 4.390 -1.749 -0.457 1.00 0.00 C ATOM 125 O ASP A 135 4.051 -0.937 0.405 1.00 0.00 O ATOM 126 CB ASP A 135 3.397 -3.950 -1.120 1.00 0.00 C ATOM 127 CG ASP A 135 4.110 -4.702 -2.226 1.00 0.00 C ATOM 128 OD1 ASP A 135 4.640 -4.045 -3.147 1.00 0.00 O ATOM 129 OD2 ASP A 135 4.140 -5.950 -2.171 1.00 0.00 O ATOM 0 H ASP A 135 3.140 -4.037 1.330 1.00 0.00 H new ATOM 0 HA ASP A 135 5.374 -3.641 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.778 -4.645 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.726 -3.212 -1.560 1.00 0.00 H new ATOM 134 N GLN A 136 4.787 -1.388 -1.673 1.00 0.00 N ATOM 135 CA GLN A 136 4.850 0.012 -2.074 1.00 0.00 C ATOM 136 C GLN A 136 3.804 0.324 -3.142 1.00 0.00 C ATOM 137 O GLN A 136 3.526 -0.502 -4.012 1.00 0.00 O ATOM 138 CB GLN A 136 6.248 0.352 -2.595 1.00 0.00 C ATOM 139 CG GLN A 136 7.125 1.052 -1.570 1.00 0.00 C ATOM 140 CD GLN A 136 8.170 0.133 -0.968 1.00 0.00 C ATOM 141 OE1 GLN A 136 8.270 -1.038 -1.335 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.955 0.661 -0.036 1.00 0.00 N ATOM 0 H GLN A 136 5.070 -2.047 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 136 4.637 0.624 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.740 -0.566 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.154 0.988 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.621 1.900 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.497 1.452 -0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.837 1.637 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.676 0.091 0.406 1.00 0.00 H new ATOM 151 N VAL A 137 3.231 1.520 -3.066 1.00 0.00 N ATOM 152 CA VAL A 137 2.217 1.945 -4.023 1.00 0.00 C ATOM 153 C VAL A 137 2.416 3.404 -4.414 1.00 0.00 C ATOM 154 O VAL A 137 2.618 4.264 -3.555 1.00 0.00 O ATOM 155 CB VAL A 137 0.797 1.768 -3.451 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.462 0.294 -3.299 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.667 2.493 -2.120 1.00 0.00 C ATOM 0 H VAL A 137 3.452 2.213 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 137 2.326 1.314 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 137 0.085 2.206 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.544 0.190 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.514 -0.193 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.176 -0.173 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.342 2.358 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.388 2.085 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.861 3.556 -2.264 1.00 0.00 H new ATOM 167 N ARG A 138 2.362 3.683 -5.714 1.00 0.00 N ATOM 168 CA ARG A 138 2.542 5.044 -6.207 1.00 0.00 C ATOM 169 C ARG A 138 1.260 5.854 -6.051 1.00 0.00 C ATOM 170 O ARG A 138 0.184 5.301 -5.823 1.00 0.00 O ATOM 171 CB ARG A 138 2.980 5.035 -7.676 1.00 0.00 C ATOM 172 CG ARG A 138 4.221 5.876 -7.945 1.00 0.00 C ATOM 173 CD ARG A 138 5.265 5.095 -8.728 1.00 0.00 C ATOM 174 NE ARG A 138 6.036 5.956 -9.623 1.00 0.00 N ATOM 175 CZ ARG A 138 7.091 5.544 -10.321 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.504 4.285 -10.232 1.00 0.00 N ATOM 177 NH2 ARG A 138 7.735 6.391 -11.111 1.00 0.00 N ATOM 0 H ARG A 138 2.196 2.988 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 138 3.324 5.514 -5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.174 4.007 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.161 5.403 -8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.942 6.771 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.648 6.209 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.941 4.596 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.773 4.315 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 138 5.748 6.930 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.012 3.628 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.313 3.975 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.422 7.359 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.544 6.075 -11.646 1.00 0.00 H new ATOM 191 N VAL A 139 1.389 7.168 -6.176 1.00 0.00 N ATOM 192 CA VAL A 139 0.252 8.071 -6.048 1.00 0.00 C ATOM 193 C VAL A 139 -0.563 8.108 -7.340 1.00 0.00 C ATOM 194 O VAL A 139 -0.132 7.588 -8.370 1.00 0.00 O ATOM 195 CB VAL A 139 0.718 9.499 -5.699 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.445 10.343 -5.200 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.833 9.459 -4.665 1.00 0.00 C ATOM 0 H VAL A 139 2.275 7.635 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.375 7.693 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 139 1.106 9.961 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.091 11.346 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.209 10.404 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.870 9.885 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.149 10.476 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.471 8.974 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.679 8.899 -5.064 1.00 0.00 H new ATOM 207 N VAL A 140 -1.744 8.716 -7.279 1.00 0.00 N ATOM 208 CA VAL A 140 -2.617 8.805 -8.447 1.00 0.00 C ATOM 209 C VAL A 140 -2.181 9.919 -9.398 1.00 0.00 C ATOM 210 O VAL A 140 -1.765 9.650 -10.524 1.00 0.00 O ATOM 211 CB VAL A 140 -4.098 9.026 -8.055 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.767 7.696 -7.746 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.231 9.986 -6.875 1.00 0.00 C ATOM 0 H VAL A 140 -2.118 9.153 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.529 7.845 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.604 9.483 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.808 7.867 -7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -4.724 7.054 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.249 7.212 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.285 10.116 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.705 9.577 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.798 10.951 -7.140 1.00 0.00 H new ATOM 223 N SER A 141 -2.279 11.165 -8.949 1.00 0.00 N ATOM 224 CA SER A 141 -1.895 12.304 -9.775 1.00 0.00 C ATOM 225 C SER A 141 -1.631 13.538 -8.917 1.00 0.00 C ATOM 226 O SER A 141 -1.488 13.440 -7.698 1.00 0.00 O ATOM 227 CB SER A 141 -2.990 12.604 -10.800 1.00 0.00 C ATOM 228 OG SER A 141 -4.101 13.241 -10.192 1.00 0.00 O ATOM 0 H SER A 141 -2.620 11.412 -8.020 1.00 0.00 H new ATOM 0 HA SER A 141 -0.974 12.048 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.589 13.241 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.313 11.677 -11.273 1.00 0.00 H new ATOM 0 HG SER A 141 -4.785 13.423 -10.870 1.00 0.00 H new ATOM 234 N GLY A 142 -1.567 14.699 -9.562 1.00 0.00 N ATOM 235 CA GLY A 142 -1.322 15.935 -8.844 1.00 0.00 C ATOM 236 C GLY A 142 0.153 16.165 -8.575 1.00 0.00 C ATOM 237 O GLY A 142 1.005 15.568 -9.233 1.00 0.00 O ATOM 0 H GLY A 142 -1.681 14.805 -10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.718 16.771 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.862 15.915 -7.898 1.00 0.00 H new ATOM 241 N PRO A 143 0.490 17.029 -7.603 1.00 0.00 N ATOM 242 CA PRO A 143 1.884 17.325 -7.257 1.00 0.00 C ATOM 243 C PRO A 143 2.599 16.120 -6.654 1.00 0.00 C ATOM 244 O PRO A 143 3.824 16.110 -6.531 1.00 0.00 O ATOM 245 CB PRO A 143 1.771 18.452 -6.228 1.00 0.00 C ATOM 246 CG PRO A 143 0.403 18.305 -5.652 1.00 0.00 C ATOM 247 CD PRO A 143 -0.460 17.784 -6.765 1.00 0.00 C ATOM 0 HA PRO A 143 2.471 17.595 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.537 18.362 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.901 19.428 -6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.407 17.617 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.030 19.261 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.260 17.146 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.932 18.594 -7.321 1.00 0.00 H new ATOM 255 N PHE A 144 1.828 15.103 -6.275 1.00 0.00 N ATOM 256 CA PHE A 144 2.392 13.896 -5.683 1.00 0.00 C ATOM 257 C PHE A 144 2.343 12.728 -6.662 1.00 0.00 C ATOM 258 O PHE A 144 2.404 11.571 -6.254 1.00 0.00 O ATOM 259 CB PHE A 144 1.630 13.515 -4.409 1.00 0.00 C ATOM 260 CG PHE A 144 1.122 14.690 -3.623 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.001 15.567 -3.011 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.240 14.914 -3.497 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.532 16.646 -2.286 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.715 15.991 -2.774 1.00 0.00 C ATOM 265 CZ PHE A 144 0.173 16.860 -2.168 1.00 0.00 C ATOM 0 H PHE A 144 0.812 15.092 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 144 3.432 14.108 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.786 12.880 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.284 12.921 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.065 15.406 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.938 14.239 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.228 17.322 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.779 16.154 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.195 17.704 -1.604 1.00 0.00 H new ATOM 275 N ALA A 145 2.224 13.027 -7.953 1.00 0.00 N ATOM 276 CA ALA A 145 2.154 11.985 -8.975 1.00 0.00 C ATOM 277 C ALA A 145 3.534 11.445 -9.348 1.00 0.00 C ATOM 278 O ALA A 145 3.801 11.158 -10.515 1.00 0.00 O ATOM 279 CB ALA A 145 1.445 12.513 -10.213 1.00 0.00 C ATOM 0 H ALA A 145 2.174 13.979 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 145 1.585 11.156 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.398 11.728 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.434 12.823 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.994 13.367 -10.610 1.00 0.00 H new ATOM 285 N ASP A 146 4.403 11.294 -8.356 1.00 0.00 N ATOM 286 CA ASP A 146 5.744 10.774 -8.591 1.00 0.00 C ATOM 287 C ASP A 146 6.364 10.263 -7.298 1.00 0.00 C ATOM 288 O ASP A 146 7.566 10.406 -7.074 1.00 0.00 O ATOM 289 CB ASP A 146 6.634 11.850 -9.214 1.00 0.00 C ATOM 290 CG ASP A 146 7.678 11.268 -10.149 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.341 10.335 -10.905 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.830 11.749 -10.122 1.00 0.00 O ATOM 0 H ASP A 146 4.203 11.524 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 146 5.664 9.938 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.013 12.558 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.131 12.410 -8.422 1.00 0.00 H new ATOM 297 N PHE A 147 5.537 9.667 -6.449 1.00 0.00 N ATOM 298 CA PHE A 147 6.005 9.135 -5.176 1.00 0.00 C ATOM 299 C PHE A 147 5.201 7.905 -4.775 1.00 0.00 C ATOM 300 O PHE A 147 4.079 7.706 -5.240 1.00 0.00 O ATOM 301 CB PHE A 147 5.905 10.203 -4.083 1.00 0.00 C ATOM 302 CG PHE A 147 6.586 11.493 -4.440 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.960 11.542 -4.611 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.852 12.657 -4.603 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.590 12.729 -4.938 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.476 13.846 -4.930 1.00 0.00 C ATOM 307 CZ PHE A 147 7.846 13.882 -5.098 1.00 0.00 C ATOM 0 H PHE A 147 4.539 9.540 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 147 7.049 8.844 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.853 10.402 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.343 9.813 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.546 10.643 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.780 12.635 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.662 12.755 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.892 14.746 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.335 14.810 -5.354 1.00 0.00 H new ATOM 317 N THR A 148 5.780 7.084 -3.907 1.00 0.00 N ATOM 318 CA THR A 148 5.115 5.874 -3.441 1.00 0.00 C ATOM 319 C THR A 148 4.909 5.917 -1.931 1.00 0.00 C ATOM 320 O THR A 148 5.450 6.785 -1.245 1.00 0.00 O ATOM 321 CB THR A 148 5.930 4.638 -3.823 1.00 0.00 C ATOM 322 OG1 THR A 148 7.176 4.632 -3.148 1.00 0.00 O ATOM 323 CG2 THR A 148 6.211 4.541 -5.307 1.00 0.00 C ATOM 0 H THR A 148 6.708 7.234 -3.512 1.00 0.00 H new ATOM 0 HA THR A 148 4.139 5.817 -3.922 1.00 0.00 H new ATOM 0 HB THR A 148 5.317 3.785 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.683 3.833 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.793 3.642 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.269 4.494 -5.853 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.774 5.417 -5.629 1.00 0.00 H new ATOM 331 N GLY A 149 4.120 4.979 -1.420 1.00 0.00 N ATOM 332 CA GLY A 149 3.855 4.932 0.004 1.00 0.00 C ATOM 333 C GLY A 149 4.011 3.539 0.582 1.00 0.00 C ATOM 334 O GLY A 149 3.844 2.544 -0.124 1.00 0.00 O ATOM 0 H GLY A 149 3.660 4.251 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.533 5.613 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.842 5.288 0.193 1.00 0.00 H new ATOM 338 N THR A 150 4.330 3.469 1.869 1.00 0.00 N ATOM 339 CA THR A 150 4.510 2.188 2.546 1.00 0.00 C ATOM 340 C THR A 150 3.283 1.839 3.381 1.00 0.00 C ATOM 341 O THR A 150 3.038 2.443 4.424 1.00 0.00 O ATOM 342 CB THR A 150 5.752 2.231 3.437 1.00 0.00 C ATOM 343 OG1 THR A 150 6.800 2.943 2.803 1.00 0.00 O ATOM 344 CG2 THR A 150 6.280 0.858 3.794 1.00 0.00 C ATOM 0 H THR A 150 4.470 4.284 2.466 1.00 0.00 H new ATOM 0 HA THR A 150 4.642 1.417 1.787 1.00 0.00 H new ATOM 0 HB THR A 150 5.434 2.730 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.585 2.961 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.161 0.960 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.511 0.300 4.329 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.548 0.323 2.883 1.00 0.00 H new ATOM 352 N VAL A 151 2.514 0.860 2.915 1.00 0.00 N ATOM 353 CA VAL A 151 1.311 0.432 3.621 1.00 0.00 C ATOM 354 C VAL A 151 1.651 -0.121 5.002 1.00 0.00 C ATOM 355 O VAL A 151 2.341 -1.132 5.124 1.00 0.00 O ATOM 356 CB VAL A 151 0.545 -0.641 2.823 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.788 -0.951 3.487 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.338 -0.189 1.385 1.00 0.00 C ATOM 0 H VAL A 151 2.702 0.349 2.053 1.00 0.00 H new ATOM 0 HA VAL A 151 0.678 1.312 3.732 1.00 0.00 H new ATOM 0 HB VAL A 151 1.141 -1.554 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.314 -1.711 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.614 -1.320 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.392 -0.045 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.204 -0.959 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.236 0.737 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.306 -0.021 0.913 1.00 0.00 H new ATOM 368 N THR A 152 1.159 0.550 6.037 1.00 0.00 N ATOM 369 CA THR A 152 1.410 0.128 7.411 1.00 0.00 C ATOM 370 C THR A 152 0.144 -0.443 8.044 1.00 0.00 C ATOM 371 O THR A 152 0.129 -1.587 8.501 1.00 0.00 O ATOM 372 CB THR A 152 1.922 1.305 8.243 1.00 0.00 C ATOM 373 OG1 THR A 152 1.208 2.488 7.932 1.00 0.00 O ATOM 374 CG2 THR A 152 3.393 1.590 8.036 1.00 0.00 C ATOM 0 H THR A 152 0.584 1.388 5.952 1.00 0.00 H new ATOM 0 HA THR A 152 2.170 -0.653 7.392 1.00 0.00 H new ATOM 0 HB THR A 152 1.768 1.012 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.549 3.229 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.690 2.436 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.976 0.713 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.574 1.827 6.987 1.00 0.00 H new ATOM 382 N GLU A 153 -0.916 0.360 8.065 1.00 0.00 N ATOM 383 CA GLU A 153 -2.186 -0.065 8.641 1.00 0.00 C ATOM 384 C GLU A 153 -3.257 -0.187 7.564 1.00 0.00 C ATOM 385 O GLU A 153 -3.168 0.447 6.511 1.00 0.00 O ATOM 386 CB GLU A 153 -2.637 0.924 9.720 1.00 0.00 C ATOM 387 CG GLU A 153 -2.351 0.451 11.136 1.00 0.00 C ATOM 388 CD GLU A 153 -1.000 0.916 11.645 1.00 0.00 C ATOM 389 OE1 GLU A 153 0.021 0.306 11.265 1.00 0.00 O ATOM 390 OE2 GLU A 153 -0.964 1.893 12.422 1.00 0.00 O ATOM 0 H GLU A 153 -0.920 1.308 7.690 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.042 -1.045 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.138 1.879 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.707 1.101 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.132 0.818 11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.391 -0.638 11.166 1.00 0.00 H new ATOM 397 N ILE A 154 -4.270 -1.004 7.832 1.00 0.00 N ATOM 398 CA ILE A 154 -5.359 -1.209 6.886 1.00 0.00 C ATOM 399 C ILE A 154 -6.696 -1.342 7.606 1.00 0.00 C ATOM 400 O ILE A 154 -6.780 -1.947 8.673 1.00 0.00 O ATOM 401 CB ILE A 154 -5.127 -2.464 6.023 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.712 -2.453 5.439 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.164 -2.545 4.914 1.00 0.00 C ATOM 404 CD1 ILE A 154 -2.687 -3.130 6.323 1.00 0.00 C ATOM 0 H ILE A 154 -4.359 -1.535 8.698 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.383 -0.332 6.239 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.232 -3.346 6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.725 -2.947 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.407 -1.421 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -5.986 -3.437 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.161 -2.595 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.089 -1.661 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.708 -3.084 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -2.645 -2.622 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.968 -4.172 6.474 1.00 0.00 H new ATOM 416 N ASN A 155 -7.740 -0.771 7.012 1.00 0.00 N ATOM 417 CA ASN A 155 -9.076 -0.824 7.596 1.00 0.00 C ATOM 418 C ASN A 155 -10.074 -1.437 6.614 1.00 0.00 C ATOM 419 O ASN A 155 -10.533 -0.767 5.690 1.00 0.00 O ATOM 420 CB ASN A 155 -9.535 0.580 7.997 1.00 0.00 C ATOM 421 CG ASN A 155 -8.869 1.065 9.268 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.854 1.762 9.224 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.437 0.698 10.411 1.00 0.00 N ATOM 0 H ASN A 155 -7.686 -0.267 6.127 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.034 -1.453 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.316 1.276 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.616 0.580 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.033 0.994 11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -10.277 0.120 10.400 1.00 0.00 H new ATOM 430 N PRO A 156 -10.423 -2.724 6.799 1.00 0.00 N ATOM 431 CA PRO A 156 -11.370 -3.416 5.918 1.00 0.00 C ATOM 432 C PRO A 156 -12.794 -2.893 6.069 1.00 0.00 C ATOM 433 O PRO A 156 -13.597 -2.974 5.139 1.00 0.00 O ATOM 434 CB PRO A 156 -11.285 -4.875 6.377 1.00 0.00 C ATOM 435 CG PRO A 156 -10.829 -4.800 7.793 1.00 0.00 C ATOM 436 CD PRO A 156 -9.924 -3.602 7.873 1.00 0.00 C ATOM 0 HA PRO A 156 -11.125 -3.271 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -12.252 -5.372 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.584 -5.443 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.676 -4.695 8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -10.300 -5.709 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.984 -3.118 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.881 -3.876 7.716 1.00 0.00 H new ATOM 444 N GLU A 157 -13.103 -2.356 7.245 1.00 0.00 N ATOM 445 CA GLU A 157 -14.432 -1.819 7.515 1.00 0.00 C ATOM 446 C GLU A 157 -14.624 -0.469 6.829 1.00 0.00 C ATOM 447 O GLU A 157 -15.680 -0.195 6.259 1.00 0.00 O ATOM 448 CB GLU A 157 -14.651 -1.676 9.022 1.00 0.00 C ATOM 449 CG GLU A 157 -16.037 -2.105 9.479 1.00 0.00 C ATOM 450 CD GLU A 157 -16.563 -1.258 10.619 1.00 0.00 C ATOM 451 OE1 GLU A 157 -16.787 -0.047 10.405 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.753 -1.804 11.726 1.00 0.00 O ATOM 0 H GLU A 157 -12.451 -2.281 8.026 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.167 -2.517 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.904 -2.271 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.489 -0.637 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.728 -2.045 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -16.006 -3.149 9.791 1.00 0.00 H new ATOM 459 N ARG A 158 -13.596 0.371 6.889 1.00 0.00 N ATOM 460 CA ARG A 158 -13.652 1.692 6.273 1.00 0.00 C ATOM 461 C ARG A 158 -13.218 1.630 4.812 1.00 0.00 C ATOM 462 O ARG A 158 -13.726 2.373 3.972 1.00 0.00 O ATOM 463 CB ARG A 158 -12.764 2.673 7.040 1.00 0.00 C ATOM 464 CG ARG A 158 -13.265 2.978 8.443 1.00 0.00 C ATOM 465 CD ARG A 158 -12.887 4.386 8.875 1.00 0.00 C ATOM 466 NE ARG A 158 -13.149 4.612 10.294 1.00 0.00 N ATOM 467 CZ ARG A 158 -14.358 4.853 10.794 1.00 0.00 C ATOM 468 NH1 ARG A 158 -15.417 4.901 9.996 1.00 0.00 N ATOM 469 NH2 ARG A 158 -14.509 5.048 12.098 1.00 0.00 N ATOM 0 H ARG A 158 -12.715 0.161 7.358 1.00 0.00 H new ATOM 0 HA ARG A 158 -14.684 2.040 6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -11.756 2.264 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.695 3.604 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.349 2.864 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -12.847 2.256 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -11.830 4.557 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.448 5.110 8.283 1.00 0.00 H new ATOM 0 HE ARG A 158 -12.359 4.583 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -15.307 4.753 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -16.341 5.086 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -13.698 5.013 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.436 5.233 12.482 1.00 0.00 H new ATOM 483 N GLY A 159 -12.274 0.741 4.518 1.00 0.00 N ATOM 484 CA GLY A 159 -11.788 0.598 3.158 1.00 0.00 C ATOM 485 C GLY A 159 -10.686 1.588 2.830 1.00 0.00 C ATOM 486 O GLY A 159 -10.600 2.081 1.705 1.00 0.00 O ATOM 0 H GLY A 159 -11.837 0.118 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.416 -0.416 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.616 0.737 2.463 1.00 0.00 H new ATOM 490 N LYS A 160 -9.841 1.877 3.815 1.00 0.00 N ATOM 491 CA LYS A 160 -8.739 2.815 3.625 1.00 0.00 C ATOM 492 C LYS A 160 -7.394 2.122 3.829 1.00 0.00 C ATOM 493 O LYS A 160 -7.340 0.940 4.167 1.00 0.00 O ATOM 494 CB LYS A 160 -8.871 3.991 4.594 1.00 0.00 C ATOM 495 CG LYS A 160 -10.232 4.665 4.548 1.00 0.00 C ATOM 496 CD LYS A 160 -10.540 5.390 5.850 1.00 0.00 C ATOM 497 CE LYS A 160 -11.842 6.168 5.759 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.913 6.988 4.518 1.00 0.00 N ATOM 0 H LYS A 160 -9.898 1.476 4.751 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.784 3.189 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -8.683 3.639 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.101 4.728 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.260 5.374 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.002 3.919 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -10.603 4.668 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.724 6.071 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -12.682 5.474 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.939 6.817 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -12.678 7.687 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -11.009 7.481 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.102 6.369 3.704 1.00 0.00 H new ATOM 512 N VAL A 161 -6.314 2.866 3.621 1.00 0.00 N ATOM 513 CA VAL A 161 -4.970 2.325 3.783 1.00 0.00 C ATOM 514 C VAL A 161 -3.952 3.437 4.000 1.00 0.00 C ATOM 515 O VAL A 161 -3.803 4.328 3.163 1.00 0.00 O ATOM 516 CB VAL A 161 -4.549 1.492 2.558 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.268 0.150 2.549 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.819 2.258 1.272 1.00 0.00 C ATOM 0 H VAL A 161 -6.343 3.846 3.340 1.00 0.00 H new ATOM 0 HA VAL A 161 -4.993 1.681 4.662 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.478 1.303 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.957 -0.424 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.018 -0.403 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.345 0.314 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.515 1.653 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.883 2.481 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.252 3.189 1.277 1.00 0.00 H new ATOM 528 N LYS A 162 -3.251 3.381 5.126 1.00 0.00 N ATOM 529 CA LYS A 162 -2.246 4.385 5.453 1.00 0.00 C ATOM 530 C LYS A 162 -0.907 4.041 4.810 1.00 0.00 C ATOM 531 O LYS A 162 -0.445 2.903 4.884 1.00 0.00 O ATOM 532 CB LYS A 162 -2.082 4.499 6.970 1.00 0.00 C ATOM 533 CG LYS A 162 -1.062 5.542 7.394 1.00 0.00 C ATOM 534 CD LYS A 162 -0.860 5.542 8.900 1.00 0.00 C ATOM 535 CE LYS A 162 0.325 6.405 9.304 1.00 0.00 C ATOM 536 NZ LYS A 162 0.379 6.623 10.777 1.00 0.00 N ATOM 0 H LYS A 162 -3.360 2.650 5.829 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.584 5.343 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.047 4.745 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.785 3.529 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.111 5.346 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.393 6.529 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.762 5.909 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.703 4.521 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 162 1.249 5.930 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.262 7.368 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 1.201 7.216 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -0.491 7.099 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 0.465 5.706 11.261 1.00 0.00 H new ATOM 550 N VAL A 163 -0.289 5.031 4.174 1.00 0.00 N ATOM 551 CA VAL A 163 0.997 4.830 3.516 1.00 0.00 C ATOM 552 C VAL A 163 1.921 6.023 3.738 1.00 0.00 C ATOM 553 O VAL A 163 1.491 7.174 3.679 1.00 0.00 O ATOM 554 CB VAL A 163 0.821 4.602 2.003 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.024 3.363 1.741 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.205 5.826 1.341 1.00 0.00 C ATOM 0 H VAL A 163 -0.657 5.979 4.100 1.00 0.00 H new ATOM 0 HA VAL A 163 1.446 3.942 3.960 1.00 0.00 H new ATOM 0 HB VAL A 163 1.806 4.441 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.136 3.220 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.465 2.491 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.007 3.490 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.090 5.643 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.772 6.026 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.855 6.688 1.493 1.00 0.00 H new ATOM 566 N MET A 164 3.196 5.739 3.993 1.00 0.00 N ATOM 567 CA MET A 164 4.181 6.790 4.224 1.00 0.00 C ATOM 568 C MET A 164 4.848 7.208 2.916 1.00 0.00 C ATOM 569 O MET A 164 5.567 6.426 2.295 1.00 0.00 O ATOM 570 CB MET A 164 5.235 6.319 5.234 1.00 0.00 C ATOM 571 CG MET A 164 6.229 5.317 4.668 1.00 0.00 C ATOM 572 SD MET A 164 6.992 4.298 5.948 1.00 0.00 S ATOM 573 CE MET A 164 7.884 5.541 6.881 1.00 0.00 C ATOM 0 H MET A 164 3.570 4.791 4.045 1.00 0.00 H new ATOM 0 HA MET A 164 3.664 7.658 4.635 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.781 7.186 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.729 5.870 6.089 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.721 4.673 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 164 7.007 5.851 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 164 8.466 5.059 7.666 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.554 6.085 6.215 1.00 0.00 H new ATOM 0 HE3 MET A 164 7.175 6.237 7.330 1.00 0.00 H new ATOM 583 N VAL A 165 4.601 8.446 2.501 1.00 0.00 N ATOM 584 CA VAL A 165 5.179 8.965 1.266 1.00 0.00 C ATOM 585 C VAL A 165 6.136 10.119 1.548 1.00 0.00 C ATOM 586 O VAL A 165 6.041 10.780 2.582 1.00 0.00 O ATOM 587 CB VAL A 165 4.088 9.447 0.291 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.207 8.284 -0.140 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.255 10.556 0.918 1.00 0.00 C ATOM 0 H VAL A 165 4.006 9.107 3.000 1.00 0.00 H new ATOM 0 HA VAL A 165 5.728 8.143 0.807 1.00 0.00 H new ATOM 0 HB VAL A 165 4.575 9.853 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.442 8.643 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.817 7.530 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.730 7.845 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.491 10.881 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.777 10.184 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.900 11.399 1.168 1.00 0.00 H new ATOM 599 N THR A 166 7.057 10.355 0.619 1.00 0.00 N ATOM 600 CA THR A 166 8.033 11.430 0.764 1.00 0.00 C ATOM 601 C THR A 166 7.694 12.594 -0.159 1.00 0.00 C ATOM 602 O THR A 166 7.243 12.396 -1.286 1.00 0.00 O ATOM 603 CB THR A 166 9.441 10.913 0.462 1.00 0.00 C ATOM 604 OG1 THR A 166 9.619 10.737 -0.933 1.00 0.00 O ATOM 605 CG2 THR A 166 9.753 9.594 1.135 1.00 0.00 C ATOM 0 H THR A 166 7.148 9.816 -0.242 1.00 0.00 H new ATOM 0 HA THR A 166 8.000 11.785 1.794 1.00 0.00 H new ATOM 0 HB THR A 166 10.119 11.670 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.525 10.408 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.766 9.285 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 166 9.671 9.709 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 166 9.046 8.836 0.796 1.00 0.00 H new ATOM 613 N ILE A 167 7.915 13.811 0.327 1.00 0.00 N ATOM 614 CA ILE A 167 7.634 15.008 -0.456 1.00 0.00 C ATOM 615 C ILE A 167 8.922 15.620 -1.001 1.00 0.00 C ATOM 616 O ILE A 167 8.964 16.094 -2.135 1.00 0.00 O ATOM 617 CB ILE A 167 6.868 16.058 0.380 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.239 17.117 -0.532 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.782 16.704 1.413 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.243 18.046 -1.184 1.00 0.00 C ATOM 0 H ILE A 167 8.288 13.994 1.259 1.00 0.00 H new ATOM 0 HA ILE A 167 7.005 14.707 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 167 6.067 15.549 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.665 16.616 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.535 17.711 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 167 7.219 17.439 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 167 8.171 15.938 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 167 8.612 17.198 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.718 18.765 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.801 18.577 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 167 7.933 17.465 -1.796 1.00 0.00 H new ATOM 632 N PHE A 168 9.970 15.601 -0.185 1.00 0.00 N ATOM 633 CA PHE A 168 11.260 16.152 -0.585 1.00 0.00 C ATOM 634 C PHE A 168 12.339 15.811 0.441 1.00 0.00 C ATOM 635 O PHE A 168 12.614 16.592 1.351 1.00 0.00 O ATOM 636 CB PHE A 168 11.162 17.669 -0.757 1.00 0.00 C ATOM 637 CG PHE A 168 11.670 18.155 -2.086 1.00 0.00 C ATOM 638 CD1 PHE A 168 10.821 18.242 -3.176 1.00 0.00 C ATOM 639 CD2 PHE A 168 12.997 18.523 -2.241 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.285 18.688 -4.399 1.00 0.00 C ATOM 641 CE2 PHE A 168 13.467 18.971 -3.461 1.00 0.00 C ATOM 642 CZ PHE A 168 12.610 19.053 -4.542 1.00 0.00 C ATOM 0 H PHE A 168 9.952 15.210 0.757 1.00 0.00 H new ATOM 0 HA PHE A 168 11.537 15.705 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.122 17.974 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.727 18.154 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 168 9.784 17.958 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 168 13.671 18.459 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 168 10.613 18.751 -5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 168 14.503 19.257 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.975 19.402 -5.497 1.00 0.00 H new ATOM 652 N GLY A 169 12.944 14.637 0.287 1.00 0.00 N ATOM 653 CA GLY A 169 13.983 14.212 1.205 1.00 0.00 C ATOM 654 C GLY A 169 13.503 14.158 2.642 1.00 0.00 C ATOM 655 O GLY A 169 14.282 14.369 3.572 1.00 0.00 O ATOM 0 H GLY A 169 12.732 13.973 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 169 14.344 13.227 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.828 14.896 1.133 1.00 0.00 H new ATOM 659 N ARG A 170 12.217 13.877 2.824 1.00 0.00 N ATOM 660 CA ARG A 170 11.634 13.796 4.158 1.00 0.00 C ATOM 661 C ARG A 170 10.355 12.965 4.144 1.00 0.00 C ATOM 662 O ARG A 170 9.503 13.134 3.272 1.00 0.00 O ATOM 663 CB ARG A 170 11.338 15.199 4.694 1.00 0.00 C ATOM 664 CG ARG A 170 12.486 15.800 5.491 1.00 0.00 C ATOM 665 CD ARG A 170 12.020 16.306 6.847 1.00 0.00 C ATOM 666 NE ARG A 170 11.796 15.215 7.792 1.00 0.00 N ATOM 667 CZ ARG A 170 12.771 14.592 8.451 1.00 0.00 C ATOM 668 NH1 ARG A 170 14.037 14.948 8.269 1.00 0.00 N ATOM 669 NH2 ARG A 170 12.479 13.610 9.293 1.00 0.00 N ATOM 0 H ARG A 170 11.559 13.702 2.065 1.00 0.00 H new ATOM 0 HA ARG A 170 12.356 13.308 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 170 11.104 15.857 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.450 15.158 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 170 13.265 15.051 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 170 12.930 16.621 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 170 12.764 16.990 7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 170 11.098 16.874 6.724 1.00 0.00 H new ATOM 0 HE ARG A 170 10.836 14.912 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 170 14.267 15.702 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 170 14.780 14.467 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 170 11.508 13.332 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 170 13.225 13.132 9.798 1.00 0.00 H new ATOM 683 N GLU A 171 10.228 12.067 5.116 1.00 0.00 N ATOM 684 CA GLU A 171 9.052 11.210 5.214 1.00 0.00 C ATOM 685 C GLU A 171 7.813 12.025 5.571 1.00 0.00 C ATOM 686 O GLU A 171 7.913 13.102 6.155 1.00 0.00 O ATOM 687 CB GLU A 171 9.278 10.118 6.261 1.00 0.00 C ATOM 688 CG GLU A 171 9.795 10.647 7.590 1.00 0.00 C ATOM 689 CD GLU A 171 11.200 10.171 7.901 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.395 8.946 8.043 1.00 0.00 O ATOM 691 OE2 GLU A 171 12.106 11.025 8.005 1.00 0.00 O ATOM 0 H GLU A 171 10.924 11.914 5.846 1.00 0.00 H new ATOM 0 HA GLU A 171 8.890 10.744 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.340 9.589 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 171 9.988 9.391 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.780 11.737 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.123 10.331 8.388 1.00 0.00 H new ATOM 698 N THR A 172 6.644 11.500 5.215 1.00 0.00 N ATOM 699 CA THR A 172 5.385 12.178 5.498 1.00 0.00 C ATOM 700 C THR A 172 4.217 11.193 5.452 1.00 0.00 C ATOM 701 O THR A 172 3.655 10.936 4.385 1.00 0.00 O ATOM 702 CB THR A 172 5.153 13.307 4.492 1.00 0.00 C ATOM 703 OG1 THR A 172 6.360 14.003 4.234 1.00 0.00 O ATOM 704 CG2 THR A 172 4.129 14.320 4.955 1.00 0.00 C ATOM 0 H THR A 172 6.543 10.608 4.731 1.00 0.00 H new ATOM 0 HA THR A 172 5.444 12.601 6.501 1.00 0.00 H new ATOM 0 HB THR A 172 4.777 12.820 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.892 14.050 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 172 4.013 15.093 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 172 3.173 13.823 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.463 14.775 5.887 1.00 0.00 H new ATOM 712 N PRO A 173 3.833 10.627 6.609 1.00 0.00 N ATOM 713 CA PRO A 173 2.726 9.668 6.688 1.00 0.00 C ATOM 714 C PRO A 173 1.376 10.317 6.397 1.00 0.00 C ATOM 715 O PRO A 173 1.005 11.309 7.024 1.00 0.00 O ATOM 716 CB PRO A 173 2.781 9.173 8.135 1.00 0.00 C ATOM 717 CG PRO A 173 3.460 10.265 8.887 1.00 0.00 C ATOM 718 CD PRO A 173 4.444 10.876 7.929 1.00 0.00 C ATOM 0 HA PRO A 173 2.825 8.872 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.781 8.986 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.334 8.237 8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.740 11.007 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.966 9.875 9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.578 11.942 8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.427 10.412 8.011 1.00 0.00 H new ATOM 726 N VAL A 174 0.648 9.751 5.441 1.00 0.00 N ATOM 727 CA VAL A 174 -0.660 10.274 5.065 1.00 0.00 C ATOM 728 C VAL A 174 -1.654 9.148 4.811 1.00 0.00 C ATOM 729 O VAL A 174 -1.316 8.133 4.200 1.00 0.00 O ATOM 730 CB VAL A 174 -0.571 11.152 3.802 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.076 12.491 4.122 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.196 10.432 2.702 1.00 0.00 C ATOM 0 H VAL A 174 0.942 8.930 4.912 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.007 10.880 5.902 1.00 0.00 H new ATOM 0 HB VAL A 174 -1.583 11.341 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.129 13.095 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -0.519 13.013 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 174 1.082 12.326 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.248 11.068 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 174 1.205 10.209 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -0.315 9.503 2.450 1.00 0.00 H new ATOM 742 N GLU A 175 -2.885 9.335 5.275 1.00 0.00 N ATOM 743 CA GLU A 175 -3.930 8.336 5.087 1.00 0.00 C ATOM 744 C GLU A 175 -4.512 8.436 3.682 1.00 0.00 C ATOM 745 O GLU A 175 -4.930 9.510 3.250 1.00 0.00 O ATOM 746 CB GLU A 175 -5.037 8.516 6.129 1.00 0.00 C ATOM 747 CG GLU A 175 -5.672 9.897 6.111 1.00 0.00 C ATOM 748 CD GLU A 175 -5.864 10.470 7.501 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.517 9.804 8.332 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.360 11.585 7.758 1.00 0.00 O ATOM 0 H GLU A 175 -3.183 10.168 5.783 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.488 7.348 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.811 7.767 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.625 8.328 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.047 10.572 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.638 9.842 5.608 1.00 0.00 H new ATOM 757 N LEU A 176 -4.525 7.316 2.967 1.00 0.00 N ATOM 758 CA LEU A 176 -5.044 7.291 1.605 1.00 0.00 C ATOM 759 C LEU A 176 -5.968 6.111 1.379 1.00 0.00 C ATOM 760 O LEU A 176 -6.315 5.381 2.308 1.00 0.00 O ATOM 761 CB LEU A 176 -3.897 7.190 0.600 1.00 0.00 C ATOM 762 CG LEU A 176 -3.463 8.512 -0.038 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.445 8.263 -1.141 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.666 9.267 -0.583 1.00 0.00 C ATOM 0 H LEU A 176 -4.183 6.417 3.307 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.600 8.217 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.036 6.748 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.191 6.503 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.995 9.125 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -2.148 9.214 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.569 7.768 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.888 7.629 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.335 10.203 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.166 8.659 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.361 9.480 0.230 1.00 0.00 H new ATOM 776 N ASP A 177 -6.328 5.918 0.119 1.00 0.00 N ATOM 777 CA ASP A 177 -7.173 4.815 -0.268 1.00 0.00 C ATOM 778 C ASP A 177 -6.759 4.287 -1.636 1.00 0.00 C ATOM 779 O ASP A 177 -6.156 5.003 -2.432 1.00 0.00 O ATOM 780 CB ASP A 177 -8.646 5.227 -0.279 1.00 0.00 C ATOM 781 CG ASP A 177 -9.020 6.093 0.909 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.779 5.664 2.056 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.550 7.204 0.690 1.00 0.00 O ATOM 0 H ASP A 177 -6.042 6.520 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.051 4.020 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.861 5.769 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.269 4.333 -0.282 1.00 0.00 H new ATOM 788 N PHE A 178 -7.079 3.028 -1.890 1.00 0.00 N ATOM 789 CA PHE A 178 -6.740 2.379 -3.156 1.00 0.00 C ATOM 790 C PHE A 178 -7.067 3.274 -4.352 1.00 0.00 C ATOM 791 O PHE A 178 -6.292 3.358 -5.304 1.00 0.00 O ATOM 792 CB PHE A 178 -7.488 1.050 -3.288 1.00 0.00 C ATOM 793 CG PHE A 178 -7.417 0.193 -2.056 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.203 -0.043 -1.430 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.563 -0.375 -1.525 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.135 -0.831 -0.296 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.502 -1.165 -0.393 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.286 -1.393 0.223 1.00 0.00 C ATOM 0 H PHE A 178 -7.577 2.427 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.666 2.194 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.534 1.253 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.077 0.494 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.301 0.393 -1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.516 -0.198 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.184 -1.007 0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -9.403 -1.604 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 178 -7.235 -2.009 1.108 1.00 0.00 H new ATOM 808 N SER A 179 -8.217 3.937 -4.297 1.00 0.00 N ATOM 809 CA SER A 179 -8.641 4.822 -5.378 1.00 0.00 C ATOM 810 C SER A 179 -7.707 6.025 -5.512 1.00 0.00 C ATOM 811 O SER A 179 -7.724 6.722 -6.527 1.00 0.00 O ATOM 812 CB SER A 179 -10.073 5.302 -5.138 1.00 0.00 C ATOM 813 OG SER A 179 -10.304 5.551 -3.763 1.00 0.00 O ATOM 0 H SER A 179 -8.872 3.879 -3.517 1.00 0.00 H new ATOM 0 HA SER A 179 -8.601 4.254 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.256 6.211 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.777 4.551 -5.498 1.00 0.00 H new ATOM 0 HG SER A 179 -11.226 5.858 -3.637 1.00 0.00 H new ATOM 819 N GLN A 180 -6.899 6.266 -4.483 1.00 0.00 N ATOM 820 CA GLN A 180 -5.967 7.388 -4.488 1.00 0.00 C ATOM 821 C GLN A 180 -4.535 6.922 -4.752 1.00 0.00 C ATOM 822 O GLN A 180 -3.675 7.720 -5.125 1.00 0.00 O ATOM 823 CB GLN A 180 -6.032 8.130 -3.154 1.00 0.00 C ATOM 824 CG GLN A 180 -7.117 9.195 -3.100 1.00 0.00 C ATOM 825 CD GLN A 180 -6.630 10.494 -2.491 1.00 0.00 C ATOM 826 OE1 GLN A 180 -5.654 11.083 -2.956 1.00 0.00 O ATOM 827 NE2 GLN A 180 -7.309 10.950 -1.444 1.00 0.00 N ATOM 0 H GLN A 180 -6.871 5.699 -3.636 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.259 8.062 -5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.203 7.409 -2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.066 8.597 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.484 9.386 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.960 8.820 -2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.112 10.430 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -7.027 11.820 -0.993 1.00 0.00 H new ATOM 836 N VAL A 181 -4.279 5.633 -4.549 1.00 0.00 N ATOM 837 CA VAL A 181 -2.946 5.079 -4.764 1.00 0.00 C ATOM 838 C VAL A 181 -2.967 3.972 -5.812 1.00 0.00 C ATOM 839 O VAL A 181 -4.030 3.556 -6.271 1.00 0.00 O ATOM 840 CB VAL A 181 -2.353 4.518 -3.458 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.960 5.649 -2.520 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.337 3.575 -2.786 1.00 0.00 C ATOM 0 H VAL A 181 -4.974 4.955 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.321 5.898 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.454 3.952 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.543 5.233 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.215 6.280 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.840 6.245 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.900 3.189 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.256 4.113 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.562 2.746 -3.456 1.00 0.00 H new ATOM 852 N VAL A 182 -1.783 3.498 -6.187 1.00 0.00 N ATOM 853 CA VAL A 182 -1.662 2.436 -7.179 1.00 0.00 C ATOM 854 C VAL A 182 -0.501 1.506 -6.846 1.00 0.00 C ATOM 855 O VAL A 182 0.521 1.936 -6.312 1.00 0.00 O ATOM 856 CB VAL A 182 -1.456 3.009 -8.595 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.684 3.783 -9.044 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.215 3.888 -8.642 1.00 0.00 C ATOM 0 H VAL A 182 -0.893 3.833 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.595 1.873 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.309 2.177 -9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.518 4.179 -10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.549 3.119 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.867 4.607 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.087 4.283 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.328 4.714 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.660 3.297 -8.370 1.00 0.00 H new ATOM 868 N LYS A 183 -0.666 0.226 -7.167 1.00 0.00 N ATOM 869 CA LYS A 183 0.368 -0.767 -6.903 1.00 0.00 C ATOM 870 C LYS A 183 1.555 -0.583 -7.843 1.00 0.00 C ATOM 871 O LYS A 183 1.401 -0.609 -9.065 1.00 0.00 O ATOM 872 CB LYS A 183 -0.205 -2.180 -7.046 1.00 0.00 C ATOM 873 CG LYS A 183 -0.157 -2.988 -5.759 1.00 0.00 C ATOM 874 CD LYS A 183 0.669 -4.254 -5.922 1.00 0.00 C ATOM 875 CE LYS A 183 2.146 -3.990 -5.680 1.00 0.00 C ATOM 876 NZ LYS A 183 2.880 -3.743 -6.952 1.00 0.00 N ATOM 0 H LYS A 183 -1.506 -0.147 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 183 0.718 -0.628 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -1.239 -2.112 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.349 -2.711 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 183 0.266 -2.377 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -1.171 -3.251 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 183 0.315 -5.013 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 183 0.530 -4.654 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 183 2.258 -3.128 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 183 2.588 -4.843 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 3.850 -3.435 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.910 -4.619 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.393 -3.002 -7.496 1.00 0.00 H new ATOM 890 N ALA A 184 2.737 -0.397 -7.265 1.00 0.00 N ATOM 891 CA ALA A 184 3.951 -0.209 -8.052 1.00 0.00 C ATOM 892 C ALA A 184 5.037 -1.191 -7.627 1.00 0.00 C ATOM 893 O ALA A 184 5.228 -1.371 -6.407 1.00 0.00 O ATOM 894 CB ALA A 184 4.449 1.221 -7.918 1.00 0.00 C ATOM 895 OXT ALA A 184 5.688 -1.773 -8.520 1.00 0.00 O ATOM 0 H ALA A 184 2.880 -0.372 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 184 3.711 -0.402 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.355 1.348 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.683 1.908 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.667 1.434 -6.871 1.00 0.00 H new