USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 357 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 174 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 180 TYR OH : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 194 CYS SG : rot -93:sc= -3.61! USER MOD Single : A 198 TYR OH : rot 154:sc= 0.542 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 212 GLN : amide:sc= -0.125 K(o=-0.12,f=-2.8!) USER MOD Single : A 214 LYS NZ :NH3+ -169:sc= -3.02! (180deg=-3.44!) USER MOD Single : A 215 ASN :FLIP amide:sc= -2.2! C(o=-4.5!,f=-2.2!) USER MOD Single : A 217 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.15) USER MOD Single : A 220 TYR OH : rot -53:sc= -3.17! USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 144:sc= 0.175 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.502 -12.575 -1.779 1.00 1.00 N ATOM 66 CA THR A 174 52.021 -11.376 -1.098 1.00 1.00 C ATOM 67 C THR A 174 50.948 -10.679 -1.939 1.00 1.00 C ATOM 68 O THR A 174 50.647 -11.094 -3.051 1.00 1.00 O ATOM 69 CB THR A 174 53.189 -10.388 -0.870 1.00 1.00 C ATOM 70 OG1 THR A 174 52.852 -9.500 0.175 1.00 1.00 O ATOM 71 CG2 THR A 174 53.468 -9.584 -2.149 1.00 1.00 C ATOM 0 HA THR A 174 51.598 -11.677 -0.140 1.00 1.00 H new ATOM 0 HB THR A 174 54.083 -10.953 -0.606 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.591 -8.874 0.323 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.292 -8.893 -1.972 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.733 -10.266 -2.957 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.577 -9.021 -2.427 1.00 1.00 H new ATOM 79 N LEU A 175 50.384 -9.601 -1.399 1.00 1.00 N ATOM 80 CA LEU A 175 49.364 -8.832 -2.114 1.00 1.00 C ATOM 81 C LEU A 175 49.856 -7.412 -2.333 1.00 1.00 C ATOM 82 O LEU A 175 50.705 -6.925 -1.591 1.00 1.00 O ATOM 83 CB LEU A 175 48.057 -8.811 -1.338 1.00 1.00 C ATOM 84 CG LEU A 175 47.583 -10.264 -1.080 1.00 1.00 C ATOM 85 CD1 LEU A 175 48.049 -10.725 0.311 1.00 1.00 C ATOM 86 CD2 LEU A 175 46.052 -10.323 -1.158 1.00 1.00 C ATOM 0 H LEU A 175 50.614 -9.240 -0.473 1.00 1.00 H new ATOM 0 HA LEU A 175 49.183 -9.309 -3.077 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.193 -8.288 -0.391 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.298 -8.264 -1.898 1.00 1.00 H new ATOM 0 HG LEU A 175 48.011 -10.923 -1.836 1.00 1.00 H new ATOM 0 HD11 LEU A 175 47.713 -11.747 0.487 1.00 1.00 H new ATOM 0 HD12 LEU A 175 49.137 -10.687 0.361 1.00 1.00 H new ATOM 0 HD13 LEU A 175 47.627 -10.068 1.072 1.00 1.00 H new ATOM 0 HD21 LEU A 175 45.718 -11.344 -0.977 1.00 1.00 H new ATOM 0 HD22 LEU A 175 45.624 -9.662 -0.405 1.00 1.00 H new ATOM 0 HD23 LEU A 175 45.726 -10.005 -2.148 1.00 1.00 H new ATOM 98 N VAL A 176 49.321 -6.757 -3.354 1.00 1.00 N ATOM 99 CA VAL A 176 49.719 -5.383 -3.677 1.00 1.00 C ATOM 100 C VAL A 176 48.498 -4.491 -3.764 1.00 1.00 C ATOM 101 O VAL A 176 47.382 -4.978 -3.875 1.00 1.00 O ATOM 102 CB VAL A 176 50.459 -5.359 -5.010 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.698 -6.246 -4.917 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.548 -5.876 -6.120 1.00 1.00 C ATOM 0 H VAL A 176 48.612 -7.148 -3.974 1.00 1.00 H new ATOM 0 HA VAL A 176 50.375 -5.015 -2.889 1.00 1.00 H new ATOM 0 HB VAL A 176 50.755 -4.335 -5.237 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.229 -6.231 -5.869 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.354 -5.874 -4.130 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.397 -7.268 -4.686 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.084 -5.856 -7.069 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.246 -6.899 -5.896 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.663 -5.243 -6.189 1.00 1.00 H new ATOM 114 N ILE A 177 48.719 -3.177 -3.695 1.00 1.00 N ATOM 115 CA ILE A 177 47.620 -2.210 -3.755 1.00 1.00 C ATOM 116 C ILE A 177 47.898 -1.165 -4.824 1.00 1.00 C ATOM 117 O ILE A 177 48.978 -0.574 -4.865 1.00 1.00 O ATOM 118 CB ILE A 177 47.460 -1.529 -2.396 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.259 -2.604 -1.317 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.235 -0.606 -2.423 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.002 -1.933 0.037 1.00 1.00 C ATOM 0 H ILE A 177 49.644 -2.759 -3.598 1.00 1.00 H new ATOM 0 HA ILE A 177 46.699 -2.736 -4.007 1.00 1.00 H new ATOM 0 HB ILE A 177 48.351 -0.942 -2.175 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.419 -3.246 -1.581 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.141 -3.242 -1.256 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.123 -0.122 -1.453 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.368 0.153 -3.194 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.342 -1.192 -2.641 1.00 1.00 H new ATOM 0 HD11 ILE A 177 46.860 -2.698 0.801 1.00 1.00 H new ATOM 0 HD12 ILE A 177 47.856 -1.310 0.302 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.107 -1.314 -0.028 1.00 1.00 H new ATOM 133 N ALA A 178 46.910 -0.944 -5.690 1.00 1.00 N ATOM 134 CA ALA A 178 47.052 0.035 -6.762 1.00 1.00 C ATOM 135 C ALA A 178 46.878 1.456 -6.225 1.00 1.00 C ATOM 136 O ALA A 178 45.808 1.822 -5.735 1.00 1.00 O ATOM 137 CB ALA A 178 46.011 -0.240 -7.861 1.00 1.00 C ATOM 0 H ALA A 178 46.011 -1.426 -5.670 1.00 1.00 H new ATOM 0 HA ALA A 178 48.054 -0.055 -7.182 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.122 0.494 -8.659 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.164 -1.241 -8.265 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.009 -0.169 -7.439 1.00 1.00 H new ATOM 143 N LEU A 179 47.931 2.255 -6.333 1.00 1.00 N ATOM 144 CA LEU A 179 47.879 3.633 -5.865 1.00 1.00 C ATOM 145 C LEU A 179 46.854 4.429 -6.657 1.00 1.00 C ATOM 146 O LEU A 179 46.111 5.227 -6.093 1.00 1.00 O ATOM 147 CB LEU A 179 49.256 4.284 -6.011 1.00 1.00 C ATOM 148 CG LEU A 179 50.239 3.618 -5.039 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.663 4.081 -5.362 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.890 3.989 -3.583 1.00 1.00 C ATOM 0 H LEU A 179 48.825 1.976 -6.737 1.00 1.00 H new ATOM 0 HA LEU A 179 47.586 3.630 -4.815 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.613 4.180 -7.036 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.190 5.352 -5.804 1.00 1.00 H new ATOM 0 HG LEU A 179 50.169 2.536 -5.149 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.364 3.610 -4.673 1.00 1.00 H new ATOM 0 HD12 LEU A 179 51.914 3.799 -6.385 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.726 5.164 -5.259 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.596 3.509 -2.906 1.00 1.00 H new ATOM 0 HD22 LEU A 179 49.947 5.070 -3.459 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.880 3.650 -3.353 1.00 1.00 H new ATOM 162 N TYR A 180 46.822 4.207 -7.971 1.00 1.00 N ATOM 163 CA TYR A 180 45.882 4.916 -8.842 1.00 1.00 C ATOM 164 C TYR A 180 45.155 3.932 -9.749 1.00 1.00 C ATOM 165 O TYR A 180 45.662 2.846 -10.037 1.00 1.00 O ATOM 166 CB TYR A 180 46.632 5.939 -9.692 1.00 1.00 C ATOM 167 CG TYR A 180 47.396 6.881 -8.787 1.00 1.00 C ATOM 168 CD1 TYR A 180 46.707 7.815 -8.004 1.00 1.00 C ATOM 169 CD2 TYR A 180 48.795 6.820 -8.733 1.00 1.00 C ATOM 170 CE1 TYR A 180 47.416 8.687 -7.167 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.502 7.691 -7.898 1.00 1.00 C ATOM 172 CZ TYR A 180 48.813 8.624 -7.115 1.00 1.00 C ATOM 173 OH TYR A 180 49.512 9.483 -6.291 1.00 1.00 O ATOM 0 H TYR A 180 47.431 3.547 -8.454 1.00 1.00 H new ATOM 0 HA TYR A 180 45.150 5.430 -8.219 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.318 5.432 -10.370 1.00 1.00 H new ATOM 0 HB3 TYR A 180 45.930 6.500 -10.310 1.00 1.00 H new ATOM 0 HD1 TYR A 180 45.629 7.863 -8.045 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.327 6.100 -9.337 1.00 1.00 H new ATOM 0 HE1 TYR A 180 46.885 9.407 -6.562 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.580 7.644 -7.857 1.00 1.00 H new ATOM 0 HH TYR A 180 50.472 9.306 -6.373 1.00 1.00 H new ATOM 183 N ASP A 181 43.965 4.316 -10.195 1.00 1.00 N ATOM 184 CA ASP A 181 43.175 3.458 -11.069 1.00 1.00 C ATOM 185 C ASP A 181 43.798 3.409 -12.457 1.00 1.00 C ATOM 186 O ASP A 181 43.604 4.315 -13.266 1.00 1.00 O ATOM 187 CB ASP A 181 41.746 3.992 -11.171 1.00 1.00 C ATOM 188 CG ASP A 181 40.897 3.053 -12.019 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.454 2.120 -12.574 1.00 1.00 O ATOM 190 OD2 ASP A 181 39.701 3.280 -12.105 1.00 1.00 O ATOM 0 H ASP A 181 43.528 5.209 -9.968 1.00 1.00 H new ATOM 0 HA ASP A 181 43.156 2.453 -10.648 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.313 4.087 -10.175 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.752 4.988 -11.613 1.00 1.00 H new ATOM 195 N TYR A 182 44.548 2.344 -12.729 1.00 1.00 N ATOM 196 CA TYR A 182 45.200 2.182 -14.029 1.00 1.00 C ATOM 197 C TYR A 182 44.469 1.146 -14.866 1.00 1.00 C ATOM 198 O TYR A 182 44.467 -0.040 -14.544 1.00 1.00 O ATOM 199 CB TYR A 182 46.652 1.740 -13.827 1.00 1.00 C ATOM 200 CG TYR A 182 47.283 1.455 -15.169 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.701 2.512 -15.985 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.444 0.132 -15.598 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.283 2.247 -17.230 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.027 -0.134 -16.840 1.00 1.00 C ATOM 205 CZ TYR A 182 48.447 0.924 -17.658 1.00 1.00 C ATOM 206 OH TYR A 182 49.020 0.663 -18.886 1.00 1.00 O ATOM 0 H TYR A 182 44.720 1.583 -12.072 1.00 1.00 H new ATOM 0 HA TYR A 182 45.176 3.138 -14.551 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.211 2.518 -13.308 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.688 0.849 -13.200 1.00 1.00 H new ATOM 0 HD1 TYR A 182 47.575 3.532 -15.654 1.00 1.00 H new ATOM 0 HD2 TYR A 182 47.118 -0.683 -14.969 1.00 1.00 H new ATOM 0 HE1 TYR A 182 48.605 3.063 -17.860 1.00 1.00 H new ATOM 0 HE2 TYR A 182 48.154 -1.155 -17.170 1.00 1.00 H new ATOM 0 HH TYR A 182 49.061 -0.306 -19.029 1.00 1.00 H new ATOM 319 N LEU A 190 45.768 -6.109 -16.795 1.00 1.00 N ATOM 320 CA LEU A 190 44.847 -6.296 -15.686 1.00 1.00 C ATOM 321 C LEU A 190 44.420 -4.946 -15.113 1.00 1.00 C ATOM 322 O LEU A 190 45.219 -4.241 -14.499 1.00 1.00 O ATOM 323 CB LEU A 190 45.511 -7.128 -14.590 1.00 1.00 C ATOM 324 CG LEU A 190 44.479 -7.524 -13.527 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.589 -8.662 -14.053 1.00 1.00 C ATOM 326 CD2 LEU A 190 45.202 -7.982 -12.257 1.00 1.00 C ATOM 0 HA LEU A 190 43.965 -6.819 -16.055 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.959 -8.022 -15.023 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.318 -6.558 -14.129 1.00 1.00 H new ATOM 0 HG LEU A 190 43.853 -6.661 -13.299 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.860 -8.936 -13.291 1.00 1.00 H new ATOM 0 HD12 LEU A 190 43.068 -8.331 -14.951 1.00 1.00 H new ATOM 0 HD13 LEU A 190 44.208 -9.527 -14.291 1.00 1.00 H new ATOM 0 HD21 LEU A 190 44.468 -8.263 -11.502 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.833 -8.840 -12.487 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.820 -7.169 -11.877 1.00 1.00 H new ATOM 338 N ALA A 191 43.153 -4.593 -15.308 1.00 1.00 N ATOM 339 CA ALA A 191 42.642 -3.326 -14.802 1.00 1.00 C ATOM 340 C ALA A 191 42.869 -3.227 -13.299 1.00 1.00 C ATOM 341 O ALA A 191 42.496 -4.125 -12.547 1.00 1.00 O ATOM 342 CB ALA A 191 41.146 -3.213 -15.108 1.00 1.00 C ATOM 0 H ALA A 191 42.468 -5.161 -15.808 1.00 1.00 H new ATOM 0 HA ALA A 191 43.174 -2.511 -15.292 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.768 -2.264 -14.728 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.991 -3.260 -16.186 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.613 -4.034 -14.628 1.00 1.00 H new ATOM 348 N LEU A 192 43.495 -2.131 -12.870 1.00 1.00 N ATOM 349 CA LEU A 192 43.785 -1.921 -11.449 1.00 1.00 C ATOM 350 C LEU A 192 42.919 -0.809 -10.884 1.00 1.00 C ATOM 351 O LEU A 192 42.814 0.269 -11.464 1.00 1.00 O ATOM 352 CB LEU A 192 45.253 -1.551 -11.276 1.00 1.00 C ATOM 353 CG LEU A 192 46.127 -2.541 -12.054 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.600 -2.184 -11.857 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.869 -3.976 -11.553 1.00 1.00 C ATOM 0 H LEU A 192 43.810 -1.378 -13.481 1.00 1.00 H new ATOM 0 HA LEU A 192 43.568 -2.844 -10.912 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.428 -0.536 -11.634 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.520 -1.566 -10.219 1.00 1.00 H new ATOM 0 HG LEU A 192 45.878 -2.484 -13.114 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.222 -2.888 -12.410 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.782 -1.174 -12.223 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.848 -2.236 -10.797 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.494 -4.674 -12.111 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.111 -4.040 -10.492 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.819 -4.230 -11.702 1.00 1.00 H new ATOM 367 N ARG A 193 42.289 -1.083 -9.748 1.00 1.00 N ATOM 368 CA ARG A 193 41.412 -0.102 -9.099 1.00 1.00 C ATOM 369 C ARG A 193 42.139 0.538 -7.917 1.00 1.00 C ATOM 370 O ARG A 193 42.927 -0.112 -7.236 1.00 1.00 O ATOM 371 CB ARG A 193 40.109 -0.784 -8.614 1.00 1.00 C ATOM 372 CG ARG A 193 40.075 -2.226 -9.094 1.00 1.00 C ATOM 373 CD ARG A 193 38.766 -2.877 -8.665 1.00 1.00 C ATOM 374 NE ARG A 193 38.749 -4.281 -9.053 1.00 1.00 N ATOM 375 CZ ARG A 193 37.766 -5.087 -8.666 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.797 -4.622 -7.926 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.771 -6.341 -9.023 1.00 1.00 N ATOM 0 H ARG A 193 42.365 -1.972 -9.254 1.00 1.00 H new ATOM 0 HA ARG A 193 41.152 0.672 -9.821 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.054 -0.752 -7.526 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.242 -0.244 -8.994 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.172 -2.261 -10.179 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.920 -2.777 -8.681 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.645 -2.790 -7.585 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.925 -2.356 -9.123 1.00 1.00 H new ATOM 0 HE ARG A 193 39.504 -4.651 -9.631 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.795 -3.641 -7.646 1.00 1.00 H new ATOM 0 HH12 ARG A 193 36.042 -5.239 -7.628 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.530 -6.704 -9.600 1.00 1.00 H new ATOM 0 HH22 ARG A 193 37.016 -6.959 -8.725 1.00 1.00 H new ATOM 391 N CYS A 194 41.865 1.810 -7.685 1.00 1.00 N ATOM 392 CA CYS A 194 42.497 2.522 -6.589 1.00 1.00 C ATOM 393 C CYS A 194 41.984 2.009 -5.255 1.00 1.00 C ATOM 394 O CYS A 194 40.785 1.821 -5.086 1.00 1.00 O ATOM 395 CB CYS A 194 42.186 4.018 -6.688 1.00 1.00 C ATOM 396 SG CYS A 194 42.686 4.854 -5.160 1.00 1.00 S ATOM 0 H CYS A 194 41.213 2.368 -8.237 1.00 1.00 H new ATOM 0 HA CYS A 194 43.573 2.358 -6.654 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.711 4.452 -7.539 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.120 4.166 -6.862 1.00 1.00 H new ATOM 0 HG CYS A 194 41.672 4.919 -4.349 1.00 1.00 H new ATOM 402 N ASP A 195 42.909 1.776 -4.321 1.00 1.00 N ATOM 403 CA ASP A 195 42.553 1.281 -2.985 1.00 1.00 C ATOM 404 C ASP A 195 42.365 -0.230 -3.008 1.00 1.00 C ATOM 405 O ASP A 195 42.468 -0.890 -1.971 1.00 1.00 O ATOM 406 CB ASP A 195 41.261 1.956 -2.491 1.00 1.00 C ATOM 407 CG ASP A 195 41.256 3.428 -2.911 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.152 4.146 -2.496 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.367 3.807 -3.654 1.00 1.00 O ATOM 0 H ASP A 195 43.909 1.921 -4.463 1.00 1.00 H new ATOM 0 HA ASP A 195 43.367 1.526 -2.303 1.00 1.00 H new ATOM 0 HB2 ASP A 195 40.391 1.446 -2.906 1.00 1.00 H new ATOM 0 HB3 ASP A 195 41.190 1.877 -1.406 1.00 1.00 H new ATOM 414 N GLU A 196 42.097 -0.779 -4.189 1.00 1.00 N ATOM 415 CA GLU A 196 41.901 -2.208 -4.321 1.00 1.00 C ATOM 416 C GLU A 196 43.219 -2.939 -4.120 1.00 1.00 C ATOM 417 O GLU A 196 44.293 -2.360 -4.301 1.00 1.00 O ATOM 418 CB GLU A 196 41.319 -2.533 -5.709 1.00 1.00 C ATOM 419 CG GLU A 196 41.298 -4.043 -5.932 1.00 1.00 C ATOM 420 CD GLU A 196 40.510 -4.721 -4.816 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.604 -4.092 -4.292 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.828 -5.853 -4.494 1.00 1.00 O ATOM 0 H GLU A 196 42.012 -0.255 -5.060 1.00 1.00 H new ATOM 0 HA GLU A 196 41.198 -2.540 -3.557 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.309 -2.132 -5.791 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.916 -2.052 -6.484 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.847 -4.271 -6.898 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.317 -4.430 -5.957 1.00 1.00 H new ATOM 429 N GLU A 197 43.125 -4.224 -3.766 1.00 1.00 N ATOM 430 CA GLU A 197 44.308 -5.051 -3.558 1.00 1.00 C ATOM 431 C GLU A 197 44.322 -6.212 -4.552 1.00 1.00 C ATOM 432 O GLU A 197 43.275 -6.695 -4.979 1.00 1.00 O ATOM 433 CB GLU A 197 44.331 -5.588 -2.129 1.00 1.00 C ATOM 434 CG GLU A 197 42.910 -5.919 -1.699 1.00 1.00 C ATOM 435 CD GLU A 197 42.938 -6.757 -0.425 1.00 1.00 C ATOM 436 OE1 GLU A 197 43.876 -7.519 -0.264 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.020 -6.627 0.368 1.00 1.00 O ATOM 0 H GLU A 197 42.241 -4.710 -3.619 1.00 1.00 H new ATOM 0 HA GLU A 197 45.195 -4.438 -3.719 1.00 1.00 H new ATOM 0 HB2 GLU A 197 44.958 -6.478 -2.072 1.00 1.00 H new ATOM 0 HB3 GLU A 197 44.765 -4.848 -1.456 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.348 -5.000 -1.529 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.398 -6.463 -2.492 1.00 1.00 H new ATOM 444 N TYR A 198 45.524 -6.647 -4.914 1.00 1.00 N ATOM 445 CA TYR A 198 45.690 -7.753 -5.861 1.00 1.00 C ATOM 446 C TYR A 198 46.622 -8.811 -5.292 1.00 1.00 C ATOM 447 O TYR A 198 47.371 -8.558 -4.356 1.00 1.00 O ATOM 448 CB TYR A 198 46.269 -7.228 -7.174 1.00 1.00 C ATOM 449 CG TYR A 198 45.200 -6.510 -7.961 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.692 -5.290 -7.497 1.00 1.00 C ATOM 451 CD2 TYR A 198 44.717 -7.064 -9.152 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.698 -4.623 -8.223 1.00 1.00 C ATOM 453 CE2 TYR A 198 43.717 -6.393 -9.874 1.00 1.00 C ATOM 454 CZ TYR A 198 43.211 -5.176 -9.408 1.00 1.00 C ATOM 455 OH TYR A 198 42.218 -4.531 -10.112 1.00 1.00 O ATOM 0 H TYR A 198 46.399 -6.254 -4.569 1.00 1.00 H new ATOM 0 HA TYR A 198 44.713 -8.201 -6.040 1.00 1.00 H new ATOM 0 HB2 TYR A 198 47.098 -6.551 -6.970 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.670 -8.055 -7.760 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.067 -4.864 -6.579 1.00 1.00 H new ATOM 0 HD2 TYR A 198 45.111 -8.002 -9.514 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.308 -3.681 -7.866 1.00 1.00 H new ATOM 0 HE2 TYR A 198 43.338 -6.818 -10.792 1.00 1.00 H new ATOM 0 HH TYR A 198 42.277 -4.775 -11.059 1.00 1.00 H new ATOM 465 N TYR A 199 46.559 -10.003 -5.865 1.00 1.00 N ATOM 466 CA TYR A 199 47.400 -11.113 -5.417 1.00 1.00 C ATOM 467 C TYR A 199 48.654 -11.205 -6.260 1.00 1.00 C ATOM 468 O TYR A 199 48.582 -11.249 -7.479 1.00 1.00 O ATOM 469 CB TYR A 199 46.615 -12.447 -5.518 1.00 1.00 C ATOM 470 CG TYR A 199 46.256 -12.935 -4.138 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.272 -13.380 -3.282 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.926 -12.936 -3.715 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.962 -13.832 -2.000 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.605 -13.385 -2.433 1.00 1.00 C ATOM 475 CZ TYR A 199 45.622 -13.836 -1.570 1.00 1.00 C ATOM 476 OH TYR A 199 45.304 -14.276 -0.303 1.00 1.00 O ATOM 0 H TYR A 199 45.937 -10.231 -6.640 1.00 1.00 H new ATOM 0 HA TYR A 199 47.682 -10.932 -4.380 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.711 -12.303 -6.109 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.217 -13.196 -6.033 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.299 -13.373 -3.616 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.147 -12.590 -4.378 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.745 -14.177 -1.341 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.577 -13.386 -2.103 1.00 1.00 H new ATOM 0 HH TYR A 199 44.336 -14.211 -0.168 1.00 1.00 H new ATOM 486 N LEU A 200 49.800 -11.251 -5.602 1.00 1.00 N ATOM 487 CA LEU A 200 51.065 -11.349 -6.313 1.00 1.00 C ATOM 488 C LEU A 200 51.324 -12.784 -6.736 1.00 1.00 C ATOM 489 O LEU A 200 51.389 -13.684 -5.899 1.00 1.00 O ATOM 490 CB LEU A 200 52.182 -10.882 -5.397 1.00 1.00 C ATOM 491 CG LEU A 200 53.555 -10.875 -6.151 1.00 1.00 C ATOM 492 CD1 LEU A 200 54.400 -9.652 -5.750 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.319 -12.190 -5.834 1.00 1.00 C ATOM 0 H LEU A 200 49.882 -11.222 -4.586 1.00 1.00 H new ATOM 0 HA LEU A 200 51.025 -10.724 -7.205 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.960 -9.881 -5.027 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.243 -11.537 -4.528 1.00 1.00 H new ATOM 0 HG LEU A 200 53.369 -10.811 -7.223 1.00 1.00 H new ATOM 0 HD11 LEU A 200 55.348 -9.672 -6.288 1.00 1.00 H new ATOM 0 HD12 LEU A 200 53.860 -8.739 -6.000 1.00 1.00 H new ATOM 0 HD13 LEU A 200 54.591 -9.678 -4.677 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.276 -12.190 -6.357 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.492 -12.260 -4.760 1.00 1.00 H new ATOM 0 HD23 LEU A 200 53.726 -13.044 -6.163 1.00 1.00 H new ATOM 505 N LEU A 201 51.474 -12.991 -8.034 1.00 1.00 N ATOM 506 CA LEU A 201 51.729 -14.328 -8.567 1.00 1.00 C ATOM 507 C LEU A 201 53.219 -14.597 -8.684 1.00 1.00 C ATOM 508 O LEU A 201 53.713 -15.609 -8.190 1.00 1.00 O ATOM 509 CB LEU A 201 51.077 -14.457 -9.946 1.00 1.00 C ATOM 510 CG LEU A 201 49.556 -14.702 -9.787 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.806 -14.156 -11.015 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.292 -16.212 -9.647 1.00 1.00 C ATOM 0 H LEU A 201 51.425 -12.256 -8.740 1.00 1.00 H new ATOM 0 HA LEU A 201 51.303 -15.059 -7.880 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.250 -13.551 -10.526 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.531 -15.280 -10.498 1.00 1.00 H new ATOM 0 HG LEU A 201 49.200 -14.186 -8.895 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.737 -14.332 -10.896 1.00 1.00 H new ATOM 0 HD12 LEU A 201 48.990 -13.086 -11.107 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.160 -14.663 -11.913 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.222 -16.385 -9.535 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.652 -16.728 -10.537 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.815 -16.593 -8.770 1.00 1.00 H new ATOM 524 N ASP A 202 53.931 -13.686 -9.337 1.00 1.00 N ATOM 525 CA ASP A 202 55.378 -13.837 -9.519 1.00 1.00 C ATOM 526 C ASP A 202 56.066 -12.487 -9.398 1.00 1.00 C ATOM 527 O ASP A 202 56.042 -11.679 -10.328 1.00 1.00 O ATOM 528 CB ASP A 202 55.669 -14.445 -10.891 1.00 1.00 C ATOM 529 CG ASP A 202 55.280 -15.920 -10.905 1.00 1.00 C ATOM 530 OD1 ASP A 202 55.136 -16.486 -9.835 1.00 1.00 O ATOM 531 OD2 ASP A 202 55.134 -16.461 -11.988 1.00 1.00 O ATOM 0 H ASP A 202 53.538 -12.839 -9.748 1.00 1.00 H new ATOM 0 HA ASP A 202 55.762 -14.500 -8.744 1.00 1.00 H new ATOM 0 HB2 ASP A 202 55.115 -13.908 -11.660 1.00 1.00 H new ATOM 0 HB3 ASP A 202 56.728 -14.338 -11.128 1.00 1.00 H new ATOM 536 N SER A 203 56.664 -12.236 -8.238 1.00 1.00 N ATOM 537 CA SER A 203 57.338 -10.965 -8.003 1.00 1.00 C ATOM 538 C SER A 203 58.748 -10.998 -8.591 1.00 1.00 C ATOM 539 O SER A 203 59.370 -9.958 -8.808 1.00 1.00 O ATOM 540 CB SER A 203 57.423 -10.690 -6.492 1.00 1.00 C ATOM 541 OG SER A 203 58.776 -10.735 -6.054 1.00 1.00 O ATOM 0 H SER A 203 56.696 -12.888 -7.454 1.00 1.00 H new ATOM 0 HA SER A 203 56.766 -10.173 -8.487 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.995 -9.713 -6.269 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.833 -11.428 -5.948 1.00 1.00 H new ATOM 0 HG SER A 203 58.814 -10.556 -5.091 1.00 1.00 H new ATOM 609 N TRP A 208 58.118 -7.401 -15.448 1.00 1.00 N ATOM 610 CA TRP A 208 56.723 -7.078 -15.176 1.00 1.00 C ATOM 611 C TRP A 208 56.201 -7.886 -13.995 1.00 1.00 C ATOM 612 O TRP A 208 56.446 -9.085 -13.895 1.00 1.00 O ATOM 613 CB TRP A 208 55.870 -7.377 -16.415 1.00 1.00 C ATOM 614 CG TRP A 208 56.035 -6.280 -17.416 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.755 -6.371 -18.556 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.484 -4.933 -17.384 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.683 -5.165 -19.226 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.910 -4.245 -18.543 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.664 -4.248 -16.469 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.535 -2.923 -18.788 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.285 -2.919 -16.711 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.720 -2.256 -17.868 1.00 1.00 C ATOM 0 HA TRP A 208 56.658 -6.018 -14.931 1.00 1.00 H new ATOM 0 HB2 TRP A 208 56.168 -8.330 -16.853 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.821 -7.470 -16.133 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.298 -7.243 -18.889 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.144 -4.976 -20.116 1.00 1.00 H new ATOM 0 HE3 TRP A 208 54.324 -4.748 -15.574 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.872 -2.419 -19.682 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.654 -2.403 -16.002 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.426 -1.232 -18.048 1.00 1.00 H new ATOM 633 N TRP A 209 55.473 -7.223 -13.108 1.00 1.00 N ATOM 634 CA TRP A 209 54.917 -7.900 -11.937 1.00 1.00 C ATOM 635 C TRP A 209 53.586 -8.535 -12.274 1.00 1.00 C ATOM 636 O TRP A 209 52.636 -7.857 -12.654 1.00 1.00 O ATOM 637 CB TRP A 209 54.744 -6.872 -10.786 1.00 1.00 C ATOM 638 CG TRP A 209 55.851 -7.002 -9.782 1.00 1.00 C ATOM 639 CD1 TRP A 209 57.107 -7.441 -10.040 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.820 -6.695 -8.361 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.830 -7.444 -8.878 1.00 1.00 N ATOM 642 CE2 TRP A 209 57.089 -6.985 -7.814 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.823 -6.204 -7.501 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.365 -6.793 -6.467 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.099 -6.006 -6.142 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.366 -6.300 -5.628 1.00 1.00 C ATOM 0 H TRP A 209 55.253 -6.229 -13.171 1.00 1.00 H new ATOM 0 HA TRP A 209 55.600 -8.688 -11.621 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.734 -5.861 -11.194 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.783 -7.027 -10.296 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.478 -7.741 -11.009 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.801 -7.750 -8.809 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.841 -5.979 -7.889 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.344 -7.023 -6.073 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.329 -5.624 -5.488 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.571 -6.145 -4.579 1.00 1.00 H new ATOM 657 N ARG A 210 53.531 -9.851 -12.106 1.00 1.00 N ATOM 658 CA ARG A 210 52.311 -10.595 -12.376 1.00 1.00 C ATOM 659 C ARG A 210 51.417 -10.612 -11.152 1.00 1.00 C ATOM 660 O ARG A 210 51.835 -11.024 -10.070 1.00 1.00 O ATOM 661 CB ARG A 210 52.655 -12.032 -12.773 1.00 1.00 C ATOM 662 CG ARG A 210 53.196 -12.056 -14.199 1.00 1.00 C ATOM 663 CD ARG A 210 53.678 -13.468 -14.537 1.00 1.00 C ATOM 664 NE ARG A 210 54.133 -13.526 -15.923 1.00 1.00 N ATOM 665 CZ ARG A 210 53.299 -13.839 -16.911 1.00 1.00 C ATOM 666 NH1 ARG A 210 52.047 -14.098 -16.652 1.00 1.00 N ATOM 667 NH2 ARG A 210 53.732 -13.883 -18.140 1.00 1.00 N ATOM 0 H ARG A 210 54.314 -10.421 -11.786 1.00 1.00 H new ATOM 0 HA ARG A 210 51.782 -10.106 -13.194 1.00 1.00 H new ATOM 0 HB2 ARG A 210 53.395 -12.442 -12.086 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.769 -12.662 -12.699 1.00 1.00 H new ATOM 0 HG2 ARG A 210 52.420 -11.748 -14.899 1.00 1.00 H new ATOM 0 HG3 ARG A 210 54.017 -11.346 -14.300 1.00 1.00 H new ATOM 0 HD2 ARG A 210 54.490 -13.753 -13.868 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.870 -14.183 -14.381 1.00 1.00 H new ATOM 0 HE ARG A 210 55.109 -13.323 -16.138 1.00 1.00 H new ATOM 0 HH11 ARG A 210 51.707 -14.061 -15.691 1.00 1.00 H new ATOM 0 HH12 ARG A 210 51.408 -14.338 -17.410 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.710 -13.677 -18.344 1.00 1.00 H new ATOM 0 HH22 ARG A 210 53.093 -14.123 -18.898 1.00 1.00 H new ATOM 681 N VAL A 211 50.176 -10.152 -11.326 1.00 1.00 N ATOM 682 CA VAL A 211 49.222 -10.122 -10.224 1.00 1.00 C ATOM 683 C VAL A 211 47.866 -10.637 -10.688 1.00 1.00 C ATOM 684 O VAL A 211 47.594 -10.685 -11.887 1.00 1.00 O ATOM 685 CB VAL A 211 49.093 -8.699 -9.684 1.00 1.00 C ATOM 686 CG1 VAL A 211 50.483 -8.088 -9.521 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.269 -7.848 -10.653 1.00 1.00 C ATOM 0 H VAL A 211 49.814 -9.799 -12.212 1.00 1.00 H new ATOM 0 HA VAL A 211 49.584 -10.769 -9.425 1.00 1.00 H new ATOM 0 HB VAL A 211 48.591 -8.726 -8.717 1.00 1.00 H new ATOM 0 HG11 VAL A 211 50.391 -7.073 -9.136 1.00 1.00 H new ATOM 0 HG12 VAL A 211 51.065 -8.690 -8.823 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.986 -8.065 -10.488 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.181 -6.834 -10.262 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.763 -7.821 -11.624 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.275 -8.282 -10.764 1.00 1.00 H new ATOM 697 N GLN A 212 47.013 -11.013 -9.736 1.00 1.00 N ATOM 698 CA GLN A 212 45.685 -11.511 -10.058 1.00 1.00 C ATOM 699 C GLN A 212 44.653 -10.990 -9.066 1.00 1.00 C ATOM 700 O GLN A 212 44.923 -10.895 -7.871 1.00 1.00 O ATOM 701 CB GLN A 212 45.697 -13.048 -10.044 1.00 1.00 C ATOM 702 CG GLN A 212 44.273 -13.597 -9.904 1.00 1.00 C ATOM 703 CD GLN A 212 44.225 -15.060 -10.293 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.171 -15.580 -10.882 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.164 -15.760 -10.003 1.00 1.00 N ATOM 0 H GLN A 212 47.221 -10.981 -8.738 1.00 1.00 H new ATOM 0 HA GLN A 212 45.411 -11.156 -11.051 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.148 -13.422 -10.963 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.313 -13.405 -9.219 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.931 -13.477 -8.876 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.593 -13.025 -10.535 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.383 -15.323 -9.514 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.115 -16.745 -10.265 1.00 1.00 H new ATOM 714 N ASP A 213 43.462 -10.687 -9.575 1.00 1.00 N ATOM 715 CA ASP A 213 42.376 -10.204 -8.726 1.00 1.00 C ATOM 716 C ASP A 213 41.537 -11.377 -8.222 1.00 1.00 C ATOM 717 O ASP A 213 41.548 -12.463 -8.805 1.00 1.00 O ATOM 718 CB ASP A 213 41.484 -9.245 -9.504 1.00 1.00 C ATOM 719 CG ASP A 213 40.437 -8.635 -8.582 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.592 -8.756 -7.380 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.500 -8.046 -9.094 1.00 1.00 O ATOM 0 H ASP A 213 43.225 -10.766 -10.564 1.00 1.00 H new ATOM 0 HA ASP A 213 42.813 -9.681 -7.875 1.00 1.00 H new ATOM 0 HB2 ASP A 213 42.089 -8.456 -9.951 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.995 -9.774 -10.322 1.00 1.00 H new ATOM 726 N LYS A 214 40.810 -11.147 -7.141 1.00 1.00 N ATOM 727 CA LYS A 214 39.960 -12.176 -6.554 1.00 1.00 C ATOM 728 C LYS A 214 38.835 -12.543 -7.515 1.00 1.00 C ATOM 729 O LYS A 214 38.018 -13.415 -7.227 1.00 1.00 O ATOM 730 CB LYS A 214 39.360 -11.684 -5.237 1.00 1.00 C ATOM 731 CG LYS A 214 40.463 -11.578 -4.178 1.00 1.00 C ATOM 732 CD LYS A 214 41.443 -10.452 -4.552 1.00 1.00 C ATOM 733 CE LYS A 214 42.216 -10.006 -3.320 1.00 1.00 C ATOM 734 NZ LYS A 214 43.022 -11.147 -2.803 1.00 1.00 N ATOM 0 H LYS A 214 40.790 -10.254 -6.649 1.00 1.00 H new ATOM 0 HA LYS A 214 40.573 -13.057 -6.362 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.886 -10.713 -5.382 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.583 -12.371 -4.900 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.023 -11.379 -3.201 1.00 1.00 H new ATOM 0 HG3 LYS A 214 40.997 -12.525 -4.100 1.00 1.00 H new ATOM 0 HD2 LYS A 214 42.135 -10.800 -5.319 1.00 1.00 H new ATOM 0 HD3 LYS A 214 40.897 -9.608 -4.974 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.868 -9.169 -3.569 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.527 -9.655 -2.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 43.402 -10.907 -1.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 42.419 -11.991 -2.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 43.808 -11.341 -3.456 1.00 1.00 H new ATOM 748 N ASN A 215 38.783 -11.849 -8.652 1.00 1.00 N ATOM 749 CA ASN A 215 37.739 -12.094 -9.646 1.00 1.00 C ATOM 750 C ASN A 215 38.188 -13.145 -10.650 1.00 1.00 C ATOM 751 O ASN A 215 37.441 -13.507 -11.559 1.00 1.00 O ATOM 752 CB ASN A 215 37.401 -10.794 -10.375 1.00 1.00 C ATOM 753 CG ASN A 215 36.652 -9.850 -9.437 1.00 1.00 C ATOM 754 OD1 ASN A 215 36.628 -8.573 -9.695 1.00 1.00 O flip ATOM 755 ND2 ASN A 215 36.076 -10.292 -8.441 1.00 1.00 N flip ATOM 0 H ASN A 215 39.447 -11.118 -8.906 1.00 1.00 H new ATOM 0 HA ASN A 215 36.852 -12.463 -9.131 1.00 1.00 H new ATOM 0 HB2 ASN A 215 38.315 -10.318 -10.730 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.791 -11.007 -11.253 1.00 1.00 H new ATOM 0 HD21 ASN A 215 36.097 -11.292 -8.242 1.00 1.00 H new ATOM 0 HD22 ASN A 215 35.579 -9.658 -7.816 1.00 1.00 H new ATOM 762 N GLY A 216 39.415 -13.630 -10.488 1.00 1.00 N ATOM 763 CA GLY A 216 39.951 -14.642 -11.391 1.00 1.00 C ATOM 764 C GLY A 216 40.600 -14.000 -12.610 1.00 1.00 C ATOM 765 O GLY A 216 40.793 -14.652 -13.633 1.00 1.00 O ATOM 0 H GLY A 216 40.052 -13.341 -9.746 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.684 -15.253 -10.864 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.151 -15.310 -11.710 1.00 1.00 H new ATOM 769 N HIS A 217 40.928 -12.712 -12.501 1.00 1.00 N ATOM 770 CA HIS A 217 41.556 -11.988 -13.608 1.00 1.00 C ATOM 771 C HIS A 217 43.043 -11.834 -13.341 1.00 1.00 C ATOM 772 O HIS A 217 43.447 -11.480 -12.241 1.00 1.00 O ATOM 773 CB HIS A 217 40.916 -10.611 -13.761 1.00 1.00 C ATOM 774 CG HIS A 217 39.469 -10.776 -14.123 1.00 1.00 C ATOM 775 ND1 HIS A 217 39.050 -11.653 -15.110 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.332 -10.177 -13.645 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.711 -11.558 -15.193 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.222 -10.672 -14.322 1.00 1.00 N ATOM 0 H HIS A 217 40.771 -12.151 -11.664 1.00 1.00 H new ATOM 0 HA HIS A 217 41.411 -12.552 -14.529 1.00 1.00 H new ATOM 0 HB2 HIS A 217 41.009 -10.049 -12.832 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.433 -10.040 -14.532 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.303 -9.434 -12.862 1.00 1.00 H new ATOM 0 HE1 HIS A 217 37.105 -12.129 -15.881 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.245 -10.414 -14.183 1.00 1.00 H new ATOM 786 N GLU A 218 43.854 -12.125 -14.351 1.00 1.00 N ATOM 787 CA GLU A 218 45.313 -12.042 -14.223 1.00 1.00 C ATOM 788 C GLU A 218 45.913 -11.207 -15.341 1.00 1.00 C ATOM 789 O GLU A 218 45.366 -11.136 -16.440 1.00 1.00 O ATOM 790 CB GLU A 218 45.905 -13.458 -14.257 1.00 1.00 C ATOM 791 CG GLU A 218 45.273 -14.266 -15.400 1.00 1.00 C ATOM 792 CD GLU A 218 45.740 -13.713 -16.741 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.860 -13.232 -16.803 1.00 1.00 O ATOM 794 OE2 GLU A 218 44.971 -13.775 -17.686 1.00 1.00 O ATOM 0 H GLU A 218 43.530 -12.422 -15.272 1.00 1.00 H new ATOM 0 HA GLU A 218 45.553 -11.561 -13.275 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.985 -13.406 -14.392 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.726 -13.958 -13.305 1.00 1.00 H new ATOM 0 HG2 GLU A 218 45.551 -15.316 -15.312 1.00 1.00 H new ATOM 0 HG3 GLU A 218 44.186 -14.217 -15.335 1.00 1.00 H new ATOM 801 N GLY A 219 47.057 -10.584 -15.061 1.00 1.00 N ATOM 802 CA GLY A 219 47.737 -9.769 -16.059 1.00 1.00 C ATOM 803 C GLY A 219 48.858 -8.957 -15.418 1.00 1.00 C ATOM 804 O GLY A 219 48.969 -8.912 -14.186 1.00 1.00 O ATOM 0 H GLY A 219 47.527 -10.629 -14.157 1.00 1.00 H new ATOM 0 HA2 GLY A 219 48.146 -10.409 -16.841 1.00 1.00 H new ATOM 0 HA3 GLY A 219 47.023 -9.098 -16.537 1.00 1.00 H new ATOM 808 N TYR A 220 49.694 -8.343 -16.247 1.00 1.00 N ATOM 809 CA TYR A 220 50.808 -7.559 -15.747 1.00 1.00 C ATOM 810 C TYR A 220 50.310 -6.293 -15.076 1.00 1.00 C ATOM 811 O TYR A 220 49.367 -5.662 -15.542 1.00 1.00 O ATOM 812 CB TYR A 220 51.733 -7.183 -16.910 1.00 1.00 C ATOM 813 CG TYR A 220 52.221 -8.443 -17.592 1.00 1.00 C ATOM 814 CD1 TYR A 220 53.009 -9.361 -16.888 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.881 -8.693 -18.930 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.458 -10.525 -17.519 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.330 -9.855 -19.560 1.00 1.00 C ATOM 818 CZ TYR A 220 53.120 -10.772 -18.856 1.00 1.00 C ATOM 819 OH TYR A 220 53.563 -11.915 -19.483 1.00 1.00 O ATOM 0 H TYR A 220 49.619 -8.375 -17.264 1.00 1.00 H new ATOM 0 HA TYR A 220 51.353 -8.156 -15.016 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.201 -6.553 -17.623 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.580 -6.604 -16.543 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.270 -9.170 -15.858 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.271 -7.986 -19.473 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.065 -11.234 -16.976 1.00 1.00 H new ATOM 0 HE2 TYR A 220 52.068 -10.047 -20.590 1.00 1.00 H new ATOM 0 HH TYR A 220 54.536 -11.985 -19.386 1.00 1.00 H new ATOM 829 N ALA A 221 50.938 -5.925 -13.965 1.00 1.00 N ATOM 830 CA ALA A 221 50.534 -4.727 -13.240 1.00 1.00 C ATOM 831 C ALA A 221 51.770 -3.921 -12.818 1.00 1.00 C ATOM 832 O ALA A 221 52.596 -4.406 -12.043 1.00 1.00 O ATOM 833 CB ALA A 221 49.720 -5.094 -12.018 1.00 1.00 C ATOM 0 H ALA A 221 51.720 -6.432 -13.551 1.00 1.00 H new ATOM 0 HA ALA A 221 49.918 -4.117 -13.901 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.428 -4.187 -11.490 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.827 -5.639 -12.326 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.318 -5.722 -11.357 1.00 1.00 H new ATOM 839 N PRO A 222 51.927 -2.710 -13.311 1.00 1.00 N ATOM 840 CA PRO A 222 53.096 -1.855 -12.971 1.00 1.00 C ATOM 841 C PRO A 222 53.404 -1.871 -11.474 1.00 1.00 C ATOM 842 O PRO A 222 52.619 -1.375 -10.673 1.00 1.00 O ATOM 843 CB PRO A 222 52.649 -0.454 -13.421 1.00 1.00 C ATOM 844 CG PRO A 222 51.660 -0.682 -14.517 1.00 1.00 C ATOM 845 CD PRO A 222 51.013 -2.028 -14.243 1.00 1.00 C ATOM 0 HA PRO A 222 54.013 -2.196 -13.451 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.199 0.098 -12.596 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.497 0.134 -13.774 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.912 0.111 -14.536 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.152 -0.679 -15.490 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.022 -1.907 -13.806 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.888 -2.600 -15.162 1.00 1.00 H new ATOM 853 N SER A 223 54.553 -2.432 -11.119 1.00 1.00 N ATOM 854 CA SER A 223 54.970 -2.509 -9.719 1.00 1.00 C ATOM 855 C SER A 223 55.213 -1.109 -9.154 1.00 1.00 C ATOM 856 O SER A 223 55.290 -0.916 -7.942 1.00 1.00 O ATOM 857 CB SER A 223 56.248 -3.329 -9.596 1.00 1.00 C ATOM 858 OG SER A 223 57.285 -2.695 -10.333 1.00 1.00 O ATOM 0 H SER A 223 55.215 -2.841 -11.779 1.00 1.00 H new ATOM 0 HA SER A 223 54.173 -2.990 -9.152 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.535 -3.422 -8.549 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.084 -4.339 -9.972 1.00 1.00 H new ATOM 0 HG SER A 223 58.109 -3.219 -10.255 1.00 1.00 H new ATOM 864 N SER A 224 55.317 -0.141 -10.046 1.00 1.00 N ATOM 865 CA SER A 224 55.541 1.246 -9.637 1.00 1.00 C ATOM 866 C SER A 224 54.262 1.901 -9.121 1.00 1.00 C ATOM 867 O SER A 224 54.270 2.592 -8.102 1.00 1.00 O ATOM 868 CB SER A 224 56.078 2.060 -10.804 1.00 1.00 C ATOM 869 OG SER A 224 55.957 3.448 -10.504 1.00 1.00 O ATOM 0 H SER A 224 55.251 -0.281 -11.054 1.00 1.00 H new ATOM 0 HA SER A 224 56.270 1.227 -8.827 1.00 1.00 H new ATOM 0 HB2 SER A 224 57.121 1.806 -10.990 1.00 1.00 H new ATOM 0 HB3 SER A 224 55.525 1.823 -11.713 1.00 1.00 H new ATOM 0 HG SER A 224 56.304 3.976 -11.253 1.00 1.00 H new ATOM 875 N TYR A 225 53.163 1.680 -9.835 1.00 1.00 N ATOM 876 CA TYR A 225 51.883 2.274 -9.454 1.00 1.00 C ATOM 877 C TYR A 225 51.214 1.473 -8.349 1.00 1.00 C ATOM 878 O TYR A 225 50.007 1.574 -8.135 1.00 1.00 O ATOM 879 CB TYR A 225 50.959 2.331 -10.673 1.00 1.00 C ATOM 880 CG TYR A 225 51.484 3.350 -11.658 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.646 3.077 -12.393 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.814 4.566 -11.837 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.136 4.022 -13.307 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.303 5.509 -12.750 1.00 1.00 C ATOM 885 CZ TYR A 225 52.462 5.237 -13.486 1.00 1.00 C ATOM 886 OH TYR A 225 52.943 6.166 -14.386 1.00 1.00 O ATOM 0 H TYR A 225 53.130 1.100 -10.673 1.00 1.00 H new ATOM 0 HA TYR A 225 52.072 3.281 -9.083 1.00 1.00 H new ATOM 0 HB2 TYR A 225 50.901 1.350 -11.145 1.00 1.00 H new ATOM 0 HB3 TYR A 225 49.948 2.596 -10.364 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.164 2.139 -12.256 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.919 4.777 -11.271 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.032 3.813 -13.872 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.785 6.447 -12.886 1.00 1.00 H new ATOM 0 HH TYR A 225 52.358 6.952 -14.389 1.00 1.00 H new ATOM 896 N LEU A 226 52.012 0.690 -7.633 1.00 1.00 N ATOM 897 CA LEU A 226 51.493 -0.114 -6.532 1.00 1.00 C ATOM 898 C LEU A 226 52.590 -0.381 -5.508 1.00 1.00 C ATOM 899 O LEU A 226 53.767 -0.130 -5.766 1.00 1.00 O ATOM 900 CB LEU A 226 50.932 -1.426 -7.058 1.00 1.00 C ATOM 901 CG LEU A 226 52.037 -2.197 -7.801 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.002 -2.891 -6.808 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.385 -3.232 -8.728 1.00 1.00 C ATOM 0 H LEU A 226 53.015 0.594 -7.793 1.00 1.00 H new ATOM 0 HA LEU A 226 50.690 0.439 -6.045 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.547 -2.026 -6.233 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.095 -1.233 -7.729 1.00 1.00 H new ATOM 0 HG LEU A 226 52.626 -1.493 -8.390 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.771 -3.427 -7.363 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.471 -2.141 -6.171 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.444 -3.594 -6.190 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.160 -3.784 -9.259 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.787 -3.925 -8.136 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.744 -2.723 -9.448 1.00 1.00 H new ATOM 915 N VAL A 227 52.198 -0.901 -4.354 1.00 1.00 N ATOM 916 CA VAL A 227 53.159 -1.215 -3.289 1.00 1.00 C ATOM 917 C VAL A 227 52.830 -2.557 -2.646 1.00 1.00 C ATOM 918 O VAL A 227 51.692 -3.019 -2.698 1.00 1.00 O ATOM 919 CB VAL A 227 53.144 -0.117 -2.224 1.00 1.00 C ATOM 920 CG1 VAL A 227 53.814 1.142 -2.776 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.696 0.204 -1.851 1.00 1.00 C ATOM 0 H VAL A 227 51.228 -1.116 -4.125 1.00 1.00 H new ATOM 0 HA VAL A 227 54.153 -1.273 -3.733 1.00 1.00 H new ATOM 0 HB VAL A 227 53.685 -0.459 -1.342 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.802 1.923 -2.016 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.845 0.916 -3.048 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.273 1.485 -3.658 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.681 0.986 -1.092 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.160 0.546 -2.736 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.214 -0.692 -1.459 1.00 1.00 H new ATOM 931 N GLU A 228 53.838 -3.171 -2.036 1.00 1.00 N ATOM 932 CA GLU A 228 53.644 -4.460 -1.378 1.00 1.00 C ATOM 933 C GLU A 228 52.750 -4.302 -0.160 1.00 1.00 C ATOM 934 O GLU A 228 52.781 -3.277 0.516 1.00 1.00 O ATOM 935 CB GLU A 228 54.993 -5.044 -0.950 1.00 1.00 C ATOM 936 CG GLU A 228 55.758 -5.516 -2.183 1.00 1.00 C ATOM 937 CD GLU A 228 57.137 -6.031 -1.776 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.416 -6.043 -0.588 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.894 -6.404 -2.658 1.00 1.00 O ATOM 0 H GLU A 228 54.788 -2.803 -1.983 1.00 1.00 H new ATOM 0 HA GLU A 228 53.167 -5.139 -2.085 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.573 -4.292 -0.415 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.839 -5.877 -0.264 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.200 -6.305 -2.687 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.862 -4.695 -2.893 1.00 1.00 H new ATOM 946 N LYS A 229 51.950 -5.330 0.115 1.00 1.00 N ATOM 947 CA LYS A 229 51.036 -5.301 1.265 1.00 1.00 C ATOM 948 C LYS A 229 51.540 -6.218 2.375 1.00 1.00 C ATOM 949 O LYS A 229 51.296 -5.968 3.555 1.00 1.00 O ATOM 950 CB LYS A 229 49.638 -5.742 0.833 1.00 1.00 C ATOM 951 CG LYS A 229 48.650 -5.474 1.965 1.00 1.00 C ATOM 952 CD LYS A 229 47.235 -5.796 1.488 1.00 1.00 C ATOM 953 CE LYS A 229 46.242 -5.549 2.627 1.00 1.00 C ATOM 954 NZ LYS A 229 44.859 -5.845 2.157 1.00 1.00 N ATOM 0 H LYS A 229 51.912 -6.188 -0.435 1.00 1.00 H new ATOM 0 HA LYS A 229 50.994 -4.280 1.644 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.335 -5.202 -0.064 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.641 -6.803 0.581 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.901 -6.083 2.833 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.712 -4.432 2.278 1.00 1.00 H new ATOM 0 HD2 LYS A 229 46.980 -5.176 0.628 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.178 -6.834 1.161 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.489 -6.179 3.482 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.309 -4.514 2.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.312 -6.269 2.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.400 -4.963 1.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.899 -6.509 1.358 1.00 1.00 H new