USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=13 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= 0.233 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 5:sc= -0.179 USER MOD Single : A 198 TYR OH : rot 117:sc= 0.104 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot -29:sc= 0.921 USER MOD Single : A 212 GLN : amide:sc= -0.458 K(o=-0.46,f=-3.7!) USER MOD Single : A 214 LYS NZ :NH3+ -140:sc= -2.12! (180deg=-3.85!) USER MOD Single : A 215 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.8!) USER MOD Single : A 217 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.27) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 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+ 165:sc= -0.152 (180deg=-0.43) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.318 -12.789 -2.233 1.00 1.00 N ATOM 66 CA THR A 174 51.731 -11.747 -1.394 1.00 1.00 C ATOM 67 C THR A 174 50.712 -10.954 -2.190 1.00 1.00 C ATOM 68 O THR A 174 50.340 -11.340 -3.293 1.00 1.00 O ATOM 69 CB THR A 174 52.835 -10.813 -0.878 1.00 1.00 C ATOM 70 OG1 THR A 174 52.365 -10.107 0.258 1.00 1.00 O ATOM 71 CG2 THR A 174 53.254 -9.816 -1.968 1.00 1.00 C ATOM 0 HA THR A 174 51.231 -12.212 -0.544 1.00 1.00 H new ATOM 0 HB THR A 174 53.702 -11.414 -0.605 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.070 -9.512 0.588 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.037 -9.163 -1.582 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.629 -10.361 -2.834 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.393 -9.215 -2.262 1.00 1.00 H new ATOM 79 N LEU A 175 50.291 -9.825 -1.631 1.00 1.00 N ATOM 80 CA LEU A 175 49.331 -8.950 -2.295 1.00 1.00 C ATOM 81 C LEU A 175 49.920 -7.553 -2.433 1.00 1.00 C ATOM 82 O LEU A 175 50.871 -7.194 -1.737 1.00 1.00 O ATOM 83 CB LEU A 175 48.020 -8.884 -1.510 1.00 1.00 C ATOM 84 CG LEU A 175 47.506 -10.316 -1.206 1.00 1.00 C ATOM 85 CD1 LEU A 175 48.013 -10.790 0.168 1.00 1.00 C ATOM 86 CD2 LEU A 175 45.965 -10.329 -1.223 1.00 1.00 C ATOM 0 H LEU A 175 50.600 -9.493 -0.717 1.00 1.00 H new ATOM 0 HA LEU A 175 49.119 -9.357 -3.284 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.172 -8.339 -0.578 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.272 -8.335 -2.082 1.00 1.00 H new ATOM 0 HG LEU A 175 47.885 -10.993 -1.971 1.00 1.00 H new ATOM 0 HD11 LEU A 175 47.643 -11.796 0.365 1.00 1.00 H new ATOM 0 HD12 LEU A 175 49.103 -10.797 0.171 1.00 1.00 H new ATOM 0 HD13 LEU A 175 47.652 -10.113 0.942 1.00 1.00 H new ATOM 0 HD21 LEU A 175 45.607 -11.336 -1.009 1.00 1.00 H new ATOM 0 HD22 LEU A 175 45.587 -9.641 -0.466 1.00 1.00 H new ATOM 0 HD23 LEU A 175 45.609 -10.019 -2.205 1.00 1.00 H new ATOM 98 N VAL A 176 49.357 -6.774 -3.347 1.00 1.00 N ATOM 99 CA VAL A 176 49.827 -5.414 -3.595 1.00 1.00 C ATOM 100 C VAL A 176 48.662 -4.446 -3.588 1.00 1.00 C ATOM 101 O VAL A 176 47.508 -4.861 -3.621 1.00 1.00 O ATOM 102 CB VAL A 176 50.524 -5.347 -4.950 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.758 -6.245 -4.925 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.578 -5.828 -6.051 1.00 1.00 C ATOM 0 H VAL A 176 48.572 -7.060 -3.932 1.00 1.00 H new ATOM 0 HA VAL A 176 50.527 -5.140 -2.806 1.00 1.00 H new ATOM 0 HB VAL A 176 50.815 -4.316 -5.151 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.260 -6.201 -5.892 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.440 -5.904 -4.146 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.456 -7.272 -4.720 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.085 -5.776 -7.015 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.282 -6.858 -5.852 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.692 -5.193 -6.073 1.00 1.00 H new ATOM 114 N ILE A 177 48.969 -3.149 -3.541 1.00 1.00 N ATOM 115 CA ILE A 177 47.935 -2.115 -3.532 1.00 1.00 C ATOM 116 C ILE A 177 48.195 -1.099 -4.638 1.00 1.00 C ATOM 117 O ILE A 177 49.302 -0.578 -4.765 1.00 1.00 O ATOM 118 CB ILE A 177 47.934 -1.400 -2.179 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.575 -2.406 -1.087 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.901 -0.266 -2.193 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.836 -1.802 0.289 1.00 1.00 C ATOM 0 H ILE A 177 49.923 -2.791 -3.509 1.00 1.00 H new ATOM 0 HA ILE A 177 46.967 -2.586 -3.700 1.00 1.00 H new ATOM 0 HB ILE A 177 48.921 -0.980 -1.985 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.527 -2.691 -1.175 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.164 -3.315 -1.211 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.904 0.240 -1.228 1.00 1.00 H new ATOM 0 HG22 ILE A 177 47.154 0.447 -2.978 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.910 -0.679 -2.384 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.577 -2.528 1.060 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.890 -1.540 0.377 1.00 1.00 H new ATOM 0 HD13 ILE A 177 47.228 -0.906 0.414 1.00 1.00 H new ATOM 133 N ALA A 178 47.169 -0.816 -5.431 1.00 1.00 N ATOM 134 CA ALA A 178 47.301 0.144 -6.526 1.00 1.00 C ATOM 135 C ALA A 178 47.211 1.577 -6.010 1.00 1.00 C ATOM 136 O ALA A 178 46.190 1.993 -5.468 1.00 1.00 O ATOM 137 CB ALA A 178 46.206 -0.097 -7.561 1.00 1.00 C ATOM 0 H ALA A 178 46.242 -1.232 -5.340 1.00 1.00 H new ATOM 0 HA ALA A 178 48.279 0.003 -6.987 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.310 0.621 -8.374 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.296 -1.109 -7.957 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.229 0.024 -7.092 1.00 1.00 H new ATOM 143 N LEU A 179 48.290 2.329 -6.182 1.00 1.00 N ATOM 144 CA LEU A 179 48.317 3.715 -5.734 1.00 1.00 C ATOM 145 C LEU A 179 47.327 4.553 -6.533 1.00 1.00 C ATOM 146 O LEU A 179 46.629 5.404 -5.980 1.00 1.00 O ATOM 147 CB LEU A 179 49.725 4.289 -5.887 1.00 1.00 C ATOM 148 CG LEU A 179 50.668 3.616 -4.877 1.00 1.00 C ATOM 149 CD1 LEU A 179 52.114 4.004 -5.202 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.322 4.040 -3.427 1.00 1.00 C ATOM 0 H LEU A 179 49.151 2.007 -6.624 1.00 1.00 H new ATOM 0 HA LEU A 179 48.032 3.744 -4.682 1.00 1.00 H new ATOM 0 HB2 LEU A 179 50.087 4.126 -6.902 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.709 5.367 -5.723 1.00 1.00 H new ATOM 0 HG LEU A 179 50.548 2.535 -4.951 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.787 3.529 -4.488 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.362 3.673 -6.210 1.00 1.00 H new ATOM 0 HD13 LEU A 179 52.223 5.087 -5.139 1.00 1.00 H new ATOM 0 HD21 LEU A 179 51.004 3.550 -2.732 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.421 5.121 -3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.297 3.747 -3.197 1.00 1.00 H new ATOM 162 N TYR A 180 47.275 4.307 -7.840 1.00 1.00 N ATOM 163 CA TYR A 180 46.373 5.043 -8.728 1.00 1.00 C ATOM 164 C TYR A 180 45.540 4.075 -9.557 1.00 1.00 C ATOM 165 O TYR A 180 45.910 2.915 -9.738 1.00 1.00 O ATOM 166 CB TYR A 180 47.181 5.949 -9.659 1.00 1.00 C ATOM 167 CG TYR A 180 48.025 6.891 -8.832 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.432 7.990 -8.198 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.402 6.668 -8.700 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.214 8.865 -7.433 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.183 7.542 -7.936 1.00 1.00 C ATOM 172 CZ TYR A 180 49.590 8.641 -7.303 1.00 1.00 C ATOM 173 OH TYR A 180 50.362 9.503 -6.549 1.00 1.00 O ATOM 0 H TYR A 180 47.846 3.604 -8.309 1.00 1.00 H new ATOM 0 HA TYR A 180 45.707 5.653 -8.118 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.817 5.348 -10.308 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.511 6.516 -10.305 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.371 8.163 -8.299 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.861 5.821 -9.188 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.756 9.712 -6.944 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.244 7.369 -7.834 1.00 1.00 H new ATOM 0 HH TYR A 180 51.295 9.203 -6.562 1.00 1.00 H new ATOM 183 N ASP A 181 44.406 4.558 -10.054 1.00 1.00 N ATOM 184 CA ASP A 181 43.523 3.724 -10.856 1.00 1.00 C ATOM 185 C ASP A 181 44.147 3.449 -12.219 1.00 1.00 C ATOM 186 O ASP A 181 44.022 4.249 -13.145 1.00 1.00 O ATOM 187 CB ASP A 181 42.173 4.422 -11.040 1.00 1.00 C ATOM 188 CG ASP A 181 42.367 5.741 -11.784 1.00 1.00 C ATOM 189 OD1 ASP A 181 43.499 6.181 -11.885 1.00 1.00 O ATOM 190 OD2 ASP A 181 41.378 6.292 -12.240 1.00 1.00 O ATOM 0 H ASP A 181 44.080 5.515 -9.916 1.00 1.00 H new ATOM 0 HA ASP A 181 43.373 2.777 -10.338 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.493 3.777 -11.597 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.714 4.606 -10.069 1.00 1.00 H new ATOM 195 N TYR A 182 44.819 2.307 -12.337 1.00 1.00 N ATOM 196 CA TYR A 182 45.459 1.931 -13.593 1.00 1.00 C ATOM 197 C TYR A 182 44.489 1.148 -14.467 1.00 1.00 C ATOM 198 O TYR A 182 43.838 0.215 -14.003 1.00 1.00 O ATOM 199 CB TYR A 182 46.690 1.070 -13.319 1.00 1.00 C ATOM 200 CG TYR A 182 47.486 0.917 -14.592 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.175 -0.110 -15.496 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.542 1.795 -14.866 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.919 -0.253 -16.672 1.00 1.00 C ATOM 204 CE2 TYR A 182 49.284 1.650 -16.045 1.00 1.00 C ATOM 205 CZ TYR A 182 48.973 0.626 -16.946 1.00 1.00 C ATOM 206 OH TYR A 182 49.705 0.483 -18.106 1.00 1.00 O ATOM 0 H TYR A 182 44.934 1.630 -11.583 1.00 1.00 H new ATOM 0 HA TYR A 182 45.758 2.842 -14.111 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.305 1.530 -12.545 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.388 0.091 -12.946 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.362 -0.789 -15.284 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.784 2.583 -14.169 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.680 -1.042 -17.369 1.00 1.00 H new ATOM 0 HE2 TYR A 182 50.096 2.329 -16.259 1.00 1.00 H new ATOM 0 HH TYR A 182 50.398 1.175 -18.143 1.00 1.00 H new ATOM 319 N LEU A 190 45.869 -5.981 -16.222 1.00 1.00 N ATOM 320 CA LEU A 190 44.708 -6.083 -15.339 1.00 1.00 C ATOM 321 C LEU A 190 44.305 -4.702 -14.838 1.00 1.00 C ATOM 322 O LEU A 190 45.116 -3.988 -14.252 1.00 1.00 O ATOM 323 CB LEU A 190 45.046 -6.977 -14.142 1.00 1.00 C ATOM 324 CG LEU A 190 43.758 -7.330 -13.369 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.054 -8.532 -14.017 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.101 -7.679 -11.918 1.00 1.00 C ATOM 0 HA LEU A 190 43.879 -6.517 -15.899 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.536 -7.888 -14.485 1.00 1.00 H new ATOM 0 HB3 LEU A 190 45.748 -6.466 -13.483 1.00 1.00 H new ATOM 0 HG LEU A 190 43.094 -6.466 -13.396 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.148 -8.767 -13.459 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.793 -8.289 -15.047 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.721 -9.394 -14.005 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.187 -7.927 -11.378 1.00 1.00 H new ATOM 0 HD22 LEU A 190 44.777 -8.534 -11.899 1.00 1.00 H new ATOM 0 HD23 LEU A 190 44.583 -6.825 -11.442 1.00 1.00 H new ATOM 338 N ALA A 191 43.044 -4.336 -15.070 1.00 1.00 N ATOM 339 CA ALA A 191 42.541 -3.041 -14.631 1.00 1.00 C ATOM 340 C ALA A 191 42.616 -2.949 -13.116 1.00 1.00 C ATOM 341 O ALA A 191 42.149 -3.841 -12.407 1.00 1.00 O ATOM 342 CB ALA A 191 41.088 -2.867 -15.079 1.00 1.00 C ATOM 0 H ALA A 191 42.359 -4.915 -15.556 1.00 1.00 H new ATOM 0 HA ALA A 191 43.152 -2.255 -15.074 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.719 -1.897 -14.747 1.00 1.00 H new ATOM 0 HB2 ALA A 191 41.033 -2.924 -16.166 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.476 -3.657 -14.643 1.00 1.00 H new ATOM 348 N LEU A 192 43.219 -1.867 -12.623 1.00 1.00 N ATOM 349 CA LEU A 192 43.376 -1.660 -11.184 1.00 1.00 C ATOM 350 C LEU A 192 42.627 -0.409 -10.735 1.00 1.00 C ATOM 351 O LEU A 192 42.813 0.672 -11.292 1.00 1.00 O ATOM 352 CB LEU A 192 44.862 -1.492 -10.839 1.00 1.00 C ATOM 353 CG LEU A 192 45.715 -2.470 -11.676 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.211 -2.223 -11.424 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.372 -3.925 -11.304 1.00 1.00 C ATOM 0 H LEU A 192 43.607 -1.120 -13.200 1.00 1.00 H new ATOM 0 HA LEU A 192 42.967 -2.530 -10.670 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.175 -0.466 -11.034 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.020 -1.677 -9.777 1.00 1.00 H new ATOM 0 HG LEU A 192 45.494 -2.303 -12.730 1.00 1.00 H new ATOM 0 HD11 LEU A 192 47.800 -2.919 -12.020 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.463 -1.201 -11.705 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.432 -2.374 -10.367 1.00 1.00 H new ATOM 0 HD21 LEU A 192 45.979 -4.606 -11.900 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.577 -4.088 -10.246 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.317 -4.112 -11.502 1.00 1.00 H new ATOM 367 N ARG A 193 41.815 -0.558 -9.698 1.00 1.00 N ATOM 368 CA ARG A 193 41.071 0.564 -9.140 1.00 1.00 C ATOM 369 C ARG A 193 41.722 0.960 -7.828 1.00 1.00 C ATOM 370 O ARG A 193 41.475 0.332 -6.804 1.00 1.00 O ATOM 371 CB ARG A 193 39.608 0.161 -8.888 1.00 1.00 C ATOM 372 CG ARG A 193 39.559 -1.279 -8.405 1.00 1.00 C ATOM 373 CD ARG A 193 38.177 -1.580 -7.824 1.00 1.00 C ATOM 374 NE ARG A 193 37.161 -1.440 -8.856 1.00 1.00 N ATOM 375 CZ ARG A 193 35.868 -1.499 -8.563 1.00 1.00 C ATOM 376 NH1 ARG A 193 35.485 -1.693 -7.331 1.00 1.00 N ATOM 377 NH2 ARG A 193 34.980 -1.362 -9.510 1.00 1.00 N ATOM 0 H ARG A 193 41.654 -1.447 -9.225 1.00 1.00 H new ATOM 0 HA ARG A 193 41.083 1.400 -9.840 1.00 1.00 H new ATOM 0 HB2 ARG A 193 39.160 0.821 -8.145 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.026 0.270 -9.803 1.00 1.00 H new ATOM 0 HG2 ARG A 193 39.773 -1.957 -9.231 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.326 -1.446 -7.649 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.157 -2.591 -7.417 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.965 -0.900 -6.999 1.00 1.00 H new ATOM 0 HE ARG A 193 37.448 -1.294 -9.824 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.180 -1.799 -6.592 1.00 1.00 H new ATOM 0 HH12 ARG A 193 34.491 -1.738 -7.107 1.00 1.00 H new ATOM 0 HH21 ARG A 193 35.281 -1.210 -10.473 1.00 1.00 H new ATOM 0 HH22 ARG A 193 33.986 -1.407 -9.287 1.00 1.00 H new ATOM 391 N CYS A 194 42.547 2.009 -7.872 1.00 1.00 N ATOM 392 CA CYS A 194 43.249 2.508 -6.679 1.00 1.00 C ATOM 393 C CYS A 194 42.468 2.193 -5.415 1.00 1.00 C ATOM 394 O CYS A 194 41.243 2.201 -5.464 1.00 1.00 O ATOM 395 CB CYS A 194 43.415 4.026 -6.770 1.00 1.00 C ATOM 396 SG CYS A 194 41.859 4.862 -6.324 1.00 1.00 S ATOM 0 H CYS A 194 42.748 2.534 -8.723 1.00 1.00 H new ATOM 0 HA CYS A 194 44.221 2.017 -6.637 1.00 1.00 H new ATOM 0 HB2 CYS A 194 44.214 4.352 -6.104 1.00 1.00 H new ATOM 0 HB3 CYS A 194 43.709 4.306 -7.781 1.00 1.00 H new ATOM 0 HG CYS A 194 40.989 3.979 -5.933 1.00 1.00 H new ATOM 402 N ASP A 195 43.180 1.926 -4.308 1.00 1.00 N ATOM 403 CA ASP A 195 42.548 1.607 -3.011 1.00 1.00 C ATOM 404 C ASP A 195 42.402 0.099 -2.834 1.00 1.00 C ATOM 405 O ASP A 195 42.445 -0.409 -1.716 1.00 1.00 O ATOM 406 CB ASP A 195 41.170 2.270 -2.867 1.00 1.00 C ATOM 407 CG ASP A 195 41.244 3.714 -3.359 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.318 4.285 -3.275 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.234 4.219 -3.819 1.00 1.00 O ATOM 0 H ASP A 195 44.200 1.924 -4.283 1.00 1.00 H new ATOM 0 HA ASP A 195 43.204 2.003 -2.236 1.00 1.00 H new ATOM 0 HB2 ASP A 195 40.427 1.717 -3.441 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.850 2.246 -1.825 1.00 1.00 H new ATOM 414 N GLU A 196 42.235 -0.611 -3.939 1.00 1.00 N ATOM 415 CA GLU A 196 42.093 -2.067 -3.901 1.00 1.00 C ATOM 416 C GLU A 196 43.460 -2.749 -3.918 1.00 1.00 C ATOM 417 O GLU A 196 44.503 -2.101 -4.014 1.00 1.00 O ATOM 418 CB GLU A 196 41.248 -2.535 -5.119 1.00 1.00 C ATOM 419 CG GLU A 196 42.131 -2.887 -6.346 1.00 1.00 C ATOM 420 CD GLU A 196 42.986 -1.683 -6.747 1.00 1.00 C ATOM 421 OE1 GLU A 196 43.531 -1.041 -5.872 1.00 1.00 O ATOM 422 OE2 GLU A 196 43.079 -1.419 -7.932 1.00 1.00 O ATOM 0 H GLU A 196 42.194 -0.207 -4.875 1.00 1.00 H new ATOM 0 HA GLU A 196 41.588 -2.346 -2.976 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.658 -3.407 -4.836 1.00 1.00 H new ATOM 0 HB3 GLU A 196 40.544 -1.749 -5.394 1.00 1.00 H new ATOM 0 HG2 GLU A 196 42.773 -3.735 -6.109 1.00 1.00 H new ATOM 0 HG3 GLU A 196 41.500 -3.189 -7.182 1.00 1.00 H new ATOM 429 N GLU A 197 43.429 -4.076 -3.876 1.00 1.00 N ATOM 430 CA GLU A 197 44.648 -4.873 -3.942 1.00 1.00 C ATOM 431 C GLU A 197 44.409 -6.118 -4.789 1.00 1.00 C ATOM 432 O GLU A 197 43.278 -6.433 -5.162 1.00 1.00 O ATOM 433 CB GLU A 197 45.102 -5.281 -2.546 1.00 1.00 C ATOM 434 CG GLU A 197 43.880 -5.652 -1.718 1.00 1.00 C ATOM 435 CD GLU A 197 44.300 -6.441 -0.482 1.00 1.00 C ATOM 436 OE1 GLU A 197 45.276 -7.169 -0.569 1.00 1.00 O ATOM 437 OE2 GLU A 197 43.642 -6.303 0.534 1.00 1.00 O ATOM 0 H GLU A 197 42.572 -4.623 -3.796 1.00 1.00 H new ATOM 0 HA GLU A 197 45.431 -4.267 -4.399 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.788 -6.126 -2.605 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.644 -4.463 -2.072 1.00 1.00 H new ATOM 0 HG2 GLU A 197 43.347 -4.750 -1.418 1.00 1.00 H new ATOM 0 HG3 GLU A 197 43.190 -6.244 -2.319 1.00 1.00 H new ATOM 444 N TYR A 198 45.493 -6.820 -5.076 1.00 1.00 N ATOM 445 CA TYR A 198 45.433 -8.049 -5.873 1.00 1.00 C ATOM 446 C TYR A 198 46.394 -9.096 -5.324 1.00 1.00 C ATOM 447 O TYR A 198 47.178 -8.809 -4.425 1.00 1.00 O ATOM 448 CB TYR A 198 45.788 -7.761 -7.322 1.00 1.00 C ATOM 449 CG TYR A 198 44.758 -6.837 -7.912 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.845 -5.468 -7.680 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.732 -7.350 -8.711 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.900 -4.607 -8.239 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.781 -6.484 -9.268 1.00 1.00 C ATOM 454 CZ TYR A 198 42.864 -5.113 -9.030 1.00 1.00 C ATOM 455 OH TYR A 198 41.922 -4.262 -9.568 1.00 1.00 O ATOM 0 H TYR A 198 46.432 -6.564 -4.771 1.00 1.00 H new ATOM 0 HA TYR A 198 44.414 -8.432 -5.817 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.777 -7.308 -7.383 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.828 -8.690 -7.890 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.642 -5.072 -7.068 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.672 -8.412 -8.899 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.969 -3.544 -8.060 1.00 1.00 H new ATOM 0 HE2 TYR A 198 41.984 -6.879 -9.881 1.00 1.00 H new ATOM 0 HH TYR A 198 41.969 -4.298 -10.546 1.00 1.00 H new ATOM 465 N TYR A 199 46.316 -10.310 -5.869 1.00 1.00 N ATOM 466 CA TYR A 199 47.174 -11.415 -5.429 1.00 1.00 C ATOM 467 C TYR A 199 48.438 -11.466 -6.264 1.00 1.00 C ATOM 468 O TYR A 199 48.378 -11.617 -7.478 1.00 1.00 O ATOM 469 CB TYR A 199 46.411 -12.760 -5.557 1.00 1.00 C ATOM 470 CG TYR A 199 46.143 -13.334 -4.190 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.220 -13.703 -3.383 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.832 -13.482 -3.737 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.993 -14.222 -2.108 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.592 -14.003 -2.465 1.00 1.00 C ATOM 475 CZ TYR A 199 45.675 -14.373 -1.642 1.00 1.00 C ATOM 476 OH TYR A 199 45.443 -14.879 -0.379 1.00 1.00 O ATOM 0 H TYR A 199 45.667 -10.555 -6.617 1.00 1.00 H new ATOM 0 HA TYR A 199 47.445 -11.251 -4.386 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.471 -12.605 -6.086 1.00 1.00 H new ATOM 0 HB3 TYR A 199 46.996 -13.465 -6.148 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.231 -13.587 -3.746 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.005 -13.194 -4.369 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.826 -14.506 -1.482 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.578 -14.123 -2.112 1.00 1.00 H new ATOM 0 HH TYR A 199 44.478 -14.917 -0.214 1.00 1.00 H new ATOM 486 N LEU A 200 49.579 -11.347 -5.604 1.00 1.00 N ATOM 487 CA LEU A 200 50.851 -11.381 -6.306 1.00 1.00 C ATOM 488 C LEU A 200 51.251 -12.820 -6.592 1.00 1.00 C ATOM 489 O LEU A 200 51.362 -13.639 -5.678 1.00 1.00 O ATOM 490 CB LEU A 200 51.943 -10.719 -5.453 1.00 1.00 C ATOM 491 CG LEU A 200 53.140 -10.306 -6.338 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.734 -9.189 -7.315 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.272 -9.805 -5.435 1.00 1.00 C ATOM 0 H LEU A 200 49.651 -11.227 -4.594 1.00 1.00 H new ATOM 0 HA LEU A 200 50.742 -10.838 -7.245 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.537 -9.843 -4.947 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.276 -11.409 -4.678 1.00 1.00 H new ATOM 0 HG LEU A 200 53.469 -11.169 -6.917 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.591 -8.913 -7.929 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.927 -9.543 -7.957 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.395 -8.319 -6.752 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.123 -9.510 -6.048 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.925 -8.947 -4.859 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.574 -10.601 -4.754 1.00 1.00 H new ATOM 505 N LEU A 201 51.466 -13.118 -7.866 1.00 1.00 N ATOM 506 CA LEU A 201 51.864 -14.466 -8.279 1.00 1.00 C ATOM 507 C LEU A 201 53.344 -14.516 -8.627 1.00 1.00 C ATOM 508 O LEU A 201 54.127 -15.193 -7.959 1.00 1.00 O ATOM 509 CB LEU A 201 51.046 -14.912 -9.490 1.00 1.00 C ATOM 510 CG LEU A 201 49.532 -14.839 -9.152 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.943 -13.500 -9.622 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.785 -15.996 -9.831 1.00 1.00 C ATOM 0 H LEU A 201 51.373 -12.451 -8.632 1.00 1.00 H new ATOM 0 HA LEU A 201 51.676 -15.139 -7.443 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.269 -14.275 -10.346 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.318 -15.930 -9.770 1.00 1.00 H new ATOM 0 HG LEU A 201 49.414 -14.918 -8.071 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.881 -13.464 -9.378 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.458 -12.680 -9.122 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.071 -13.405 -10.700 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.724 -15.936 -9.588 1.00 1.00 H new ATOM 0 HD22 LEU A 201 48.914 -15.928 -10.911 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.186 -16.946 -9.476 1.00 1.00 H new ATOM 524 N ASP A 202 53.724 -13.804 -9.686 1.00 1.00 N ATOM 525 CA ASP A 202 55.116 -13.774 -10.127 1.00 1.00 C ATOM 526 C ASP A 202 55.766 -12.459 -9.720 1.00 1.00 C ATOM 527 O ASP A 202 55.689 -11.469 -10.446 1.00 1.00 O ATOM 528 CB ASP A 202 55.181 -13.929 -11.648 1.00 1.00 C ATOM 529 CG ASP A 202 56.634 -13.990 -12.101 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.500 -13.773 -11.269 1.00 1.00 O ATOM 531 OD2 ASP A 202 56.860 -14.256 -13.269 1.00 1.00 O ATOM 0 H ASP A 202 53.089 -13.242 -10.253 1.00 1.00 H new ATOM 0 HA ASP A 202 55.653 -14.597 -9.656 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.658 -14.835 -11.953 1.00 1.00 H new ATOM 0 HB3 ASP A 202 54.676 -13.092 -12.130 1.00 1.00 H new ATOM 536 N SER A 203 56.410 -12.454 -8.558 1.00 1.00 N ATOM 537 CA SER A 203 57.070 -11.250 -8.068 1.00 1.00 C ATOM 538 C SER A 203 58.485 -11.168 -8.630 1.00 1.00 C ATOM 539 O SER A 203 59.320 -12.028 -8.353 1.00 1.00 O ATOM 540 CB SER A 203 57.122 -11.286 -6.544 1.00 1.00 C ATOM 541 OG SER A 203 58.315 -11.936 -6.122 1.00 1.00 O ATOM 0 H SER A 203 56.489 -13.263 -7.942 1.00 1.00 H new ATOM 0 HA SER A 203 56.509 -10.374 -8.392 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.088 -10.272 -6.145 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.251 -11.812 -6.153 1.00 1.00 H new ATOM 0 HG SER A 203 58.589 -12.589 -6.799 1.00 1.00 H new ATOM 609 N TRP A 208 57.693 -7.882 -15.470 1.00 1.00 N ATOM 610 CA TRP A 208 56.369 -7.419 -15.069 1.00 1.00 C ATOM 611 C TRP A 208 55.831 -8.236 -13.897 1.00 1.00 C ATOM 612 O TRP A 208 56.103 -9.430 -13.783 1.00 1.00 O ATOM 613 CB TRP A 208 55.416 -7.545 -16.253 1.00 1.00 C ATOM 614 CG TRP A 208 55.727 -6.498 -17.267 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.563 -6.661 -18.314 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.208 -5.142 -17.358 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.615 -5.484 -19.033 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.786 -4.512 -18.487 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.305 -4.405 -16.572 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.472 -3.190 -18.822 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.986 -3.082 -16.904 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.565 -2.474 -18.024 1.00 1.00 C ATOM 0 HA TRP A 208 56.447 -6.379 -14.754 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.506 -8.535 -16.700 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.385 -7.441 -15.914 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.104 -7.566 -18.551 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.191 -5.345 -19.863 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.853 -4.863 -15.704 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.923 -2.725 -19.686 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.289 -2.528 -16.292 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.314 -1.454 -18.275 1.00 1.00 H new ATOM 633 N TRP A 209 55.057 -7.577 -13.039 1.00 1.00 N ATOM 634 CA TRP A 209 54.474 -8.235 -11.870 1.00 1.00 C ATOM 635 C TRP A 209 53.101 -8.784 -12.219 1.00 1.00 C ATOM 636 O TRP A 209 52.189 -8.056 -12.624 1.00 1.00 O ATOM 637 CB TRP A 209 54.375 -7.229 -10.700 1.00 1.00 C ATOM 638 CG TRP A 209 55.566 -7.324 -9.790 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.788 -7.824 -10.114 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.660 -6.904 -8.402 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.598 -7.770 -8.998 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.955 -7.199 -7.930 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.753 -6.304 -7.515 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.339 -6.917 -6.629 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.137 -6.015 -6.199 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.432 -6.319 -5.759 1.00 1.00 C ATOM 0 H TRP A 209 54.818 -6.589 -13.130 1.00 1.00 H new ATOM 0 HA TRP A 209 55.112 -9.064 -11.565 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.298 -6.216 -11.095 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.465 -7.419 -10.131 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.077 -8.201 -11.084 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.558 -8.113 -8.971 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.754 -6.064 -7.848 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.336 -7.160 -6.292 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.432 -5.556 -5.521 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.726 -6.089 -4.746 1.00 1.00 H new ATOM 657 N ARG A 210 52.977 -10.093 -12.057 1.00 1.00 N ATOM 658 CA ARG A 210 51.734 -10.771 -12.345 1.00 1.00 C ATOM 659 C ARG A 210 50.820 -10.667 -11.149 1.00 1.00 C ATOM 660 O ARG A 210 51.224 -10.978 -10.026 1.00 1.00 O ATOM 661 CB ARG A 210 51.992 -12.248 -12.629 1.00 1.00 C ATOM 662 CG ARG A 210 50.746 -12.863 -13.260 1.00 1.00 C ATOM 663 CD ARG A 210 51.025 -14.322 -13.614 1.00 1.00 C ATOM 664 NE ARG A 210 49.908 -14.873 -14.379 1.00 1.00 N ATOM 665 CZ ARG A 210 49.752 -16.186 -14.529 1.00 1.00 C ATOM 666 NH1 ARG A 210 50.605 -17.010 -13.989 1.00 1.00 N ATOM 667 NH2 ARG A 210 48.742 -16.649 -15.216 1.00 1.00 N ATOM 0 H ARG A 210 53.726 -10.702 -11.727 1.00 1.00 H new ATOM 0 HA ARG A 210 51.275 -10.306 -13.218 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.845 -12.358 -13.298 1.00 1.00 H new ATOM 0 HB3 ARG A 210 52.242 -12.770 -11.705 1.00 1.00 H new ATOM 0 HG2 ARG A 210 49.906 -12.799 -12.569 1.00 1.00 H new ATOM 0 HG3 ARG A 210 50.466 -12.307 -14.155 1.00 1.00 H new ATOM 0 HD2 ARG A 210 51.945 -14.395 -14.194 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.175 -14.903 -12.704 1.00 1.00 H new ATOM 0 HE ARG A 210 49.234 -14.238 -14.807 1.00 1.00 H new ATOM 0 HH11 ARG A 210 51.393 -16.649 -13.451 1.00 1.00 H new ATOM 0 HH12 ARG A 210 50.485 -18.016 -14.104 1.00 1.00 H new ATOM 0 HH21 ARG A 210 48.073 -16.004 -15.637 1.00 1.00 H new ATOM 0 HH22 ARG A 210 48.622 -17.655 -15.331 1.00 1.00 H new ATOM 681 N VAL A 211 49.588 -10.234 -11.373 1.00 1.00 N ATOM 682 CA VAL A 211 48.628 -10.103 -10.286 1.00 1.00 C ATOM 683 C VAL A 211 47.332 -10.836 -10.635 1.00 1.00 C ATOM 684 O VAL A 211 47.064 -11.100 -11.806 1.00 1.00 O ATOM 685 CB VAL A 211 48.327 -8.633 -10.057 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.552 -7.947 -9.456 1.00 1.00 C ATOM 687 CG2 VAL A 211 47.971 -7.965 -11.385 1.00 1.00 C ATOM 0 H VAL A 211 49.231 -9.969 -12.291 1.00 1.00 H new ATOM 0 HA VAL A 211 49.052 -10.541 -9.382 1.00 1.00 H new ATOM 0 HB VAL A 211 47.485 -8.543 -9.370 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.334 -6.892 -9.292 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.803 -8.418 -8.505 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.395 -8.042 -10.141 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.756 -6.910 -11.215 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.809 -8.058 -12.075 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.094 -8.450 -11.813 1.00 1.00 H new ATOM 697 N GLN A 212 46.525 -11.163 -9.620 1.00 1.00 N ATOM 698 CA GLN A 212 45.257 -11.863 -9.840 1.00 1.00 C ATOM 699 C GLN A 212 44.179 -11.306 -8.925 1.00 1.00 C ATOM 700 O GLN A 212 44.418 -11.063 -7.740 1.00 1.00 O ATOM 701 CB GLN A 212 45.433 -13.360 -9.577 1.00 1.00 C ATOM 702 CG GLN A 212 44.091 -14.072 -9.714 1.00 1.00 C ATOM 703 CD GLN A 212 44.307 -15.580 -9.728 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.407 -16.049 -10.017 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.317 -16.372 -9.426 1.00 1.00 N ATOM 0 H GLN A 212 46.727 -10.955 -8.642 1.00 1.00 H new ATOM 0 HA GLN A 212 44.953 -11.713 -10.876 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.151 -13.780 -10.281 1.00 1.00 H new ATOM 0 HB3 GLN A 212 45.838 -13.517 -8.577 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.437 -13.797 -8.887 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.594 -13.758 -10.632 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.406 -15.981 -9.187 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.453 -17.383 -9.429 1.00 1.00 H new ATOM 714 N ASP A 213 42.983 -11.116 -9.477 1.00 1.00 N ATOM 715 CA ASP A 213 41.863 -10.596 -8.703 1.00 1.00 C ATOM 716 C ASP A 213 41.088 -11.739 -8.072 1.00 1.00 C ATOM 717 O ASP A 213 41.181 -12.887 -8.514 1.00 1.00 O ATOM 718 CB ASP A 213 40.929 -9.788 -9.605 1.00 1.00 C ATOM 719 CG ASP A 213 39.943 -8.986 -8.762 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.225 -8.769 -7.595 1.00 1.00 O ATOM 721 OD2 ASP A 213 38.918 -8.597 -9.298 1.00 1.00 O ATOM 0 H ASP A 213 42.767 -11.314 -10.454 1.00 1.00 H new ATOM 0 HA ASP A 213 42.255 -9.949 -7.918 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.512 -9.115 -10.234 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.387 -10.458 -10.272 1.00 1.00 H new ATOM 726 N LYS A 214 40.334 -11.411 -7.039 1.00 1.00 N ATOM 727 CA LYS A 214 39.539 -12.406 -6.329 1.00 1.00 C ATOM 728 C LYS A 214 38.447 -12.958 -7.240 1.00 1.00 C ATOM 729 O LYS A 214 37.767 -13.926 -6.897 1.00 1.00 O ATOM 730 CB LYS A 214 38.898 -11.784 -5.085 1.00 1.00 C ATOM 731 CG LYS A 214 39.898 -10.861 -4.380 1.00 1.00 C ATOM 732 CD LYS A 214 41.166 -11.637 -4.019 1.00 1.00 C ATOM 733 CE LYS A 214 42.091 -10.743 -3.202 1.00 1.00 C ATOM 734 NZ LYS A 214 43.270 -11.538 -2.761 1.00 1.00 N ATOM 0 H LYS A 214 40.253 -10.464 -6.670 1.00 1.00 H new ATOM 0 HA LYS A 214 40.198 -13.219 -6.025 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.009 -11.220 -5.368 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.574 -12.570 -4.403 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.149 -10.021 -5.028 1.00 1.00 H new ATOM 0 HG3 LYS A 214 39.448 -10.445 -3.479 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.909 -12.530 -3.450 1.00 1.00 H new ATOM 0 HD3 LYS A 214 41.672 -11.971 -4.925 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.414 -9.890 -3.799 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.561 -10.344 -2.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 43.515 -11.282 -1.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 43.042 -12.552 -2.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 44.078 -11.336 -3.384 1.00 1.00 H new ATOM 748 N ASN A 215 38.275 -12.327 -8.401 1.00 1.00 N ATOM 749 CA ASN A 215 37.253 -12.755 -9.355 1.00 1.00 C ATOM 750 C ASN A 215 37.825 -13.770 -10.340 1.00 1.00 C ATOM 751 O ASN A 215 37.104 -14.300 -11.184 1.00 1.00 O ATOM 752 CB ASN A 215 36.722 -11.541 -10.120 1.00 1.00 C ATOM 753 CG ASN A 215 35.922 -10.650 -9.177 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.470 -11.103 -8.127 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.723 -9.399 -9.490 1.00 1.00 N ATOM 0 H ASN A 215 38.826 -11.523 -8.702 1.00 1.00 H new ATOM 0 HA ASN A 215 36.440 -13.226 -8.803 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.551 -10.979 -10.551 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.093 -11.867 -10.948 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.192 -8.795 -8.863 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.099 -9.025 -10.361 1.00 1.00 H new ATOM 762 N GLY A 216 39.125 -14.038 -10.227 1.00 1.00 N ATOM 763 CA GLY A 216 39.788 -14.989 -11.117 1.00 1.00 C ATOM 764 C GLY A 216 40.380 -14.290 -12.333 1.00 1.00 C ATOM 765 O GLY A 216 40.707 -14.933 -13.330 1.00 1.00 O ATOM 0 H GLY A 216 39.737 -13.612 -9.531 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.577 -15.509 -10.574 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.073 -15.745 -11.442 1.00 1.00 H new ATOM 769 N HIS A 217 40.513 -12.966 -12.255 1.00 1.00 N ATOM 770 CA HIS A 217 41.067 -12.195 -13.363 1.00 1.00 C ATOM 771 C HIS A 217 42.551 -11.946 -13.137 1.00 1.00 C ATOM 772 O HIS A 217 42.956 -11.481 -12.072 1.00 1.00 O ATOM 773 CB HIS A 217 40.342 -10.853 -13.477 1.00 1.00 C ATOM 774 CG HIS A 217 38.869 -11.097 -13.633 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.371 -12.120 -14.422 1.00 1.00 N ATOM 776 CD2 HIS A 217 37.772 -10.457 -13.111 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.028 -12.068 -14.354 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.611 -11.073 -13.567 1.00 1.00 N ATOM 0 H HIS A 217 40.247 -12.410 -11.442 1.00 1.00 H new ATOM 0 HA HIS A 217 40.933 -12.762 -14.284 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.530 -10.248 -12.590 1.00 1.00 H new ATOM 0 HB3 HIS A 217 40.722 -10.293 -14.331 1.00 1.00 H new ATOM 0 HD2 HIS A 217 37.805 -9.605 -12.448 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.368 -12.748 -14.872 1.00 1.00 H new ATOM 0 HE2 HIS A 217 35.648 -10.819 -13.347 1.00 1.00 H new ATOM 786 N GLU A 218 43.361 -12.273 -14.144 1.00 1.00 N ATOM 787 CA GLU A 218 44.811 -12.100 -14.059 1.00 1.00 C ATOM 788 C GLU A 218 45.327 -11.219 -15.188 1.00 1.00 C ATOM 789 O GLU A 218 44.778 -11.211 -16.290 1.00 1.00 O ATOM 790 CB GLU A 218 45.491 -13.466 -14.122 1.00 1.00 C ATOM 791 CG GLU A 218 44.967 -14.244 -15.332 1.00 1.00 C ATOM 792 CD GLU A 218 45.712 -15.568 -15.467 1.00 1.00 C ATOM 793 OE1 GLU A 218 45.977 -16.184 -14.448 1.00 1.00 O ATOM 794 OE2 GLU A 218 46.009 -15.948 -16.589 1.00 1.00 O ATOM 0 H GLU A 218 43.036 -12.660 -15.030 1.00 1.00 H new ATOM 0 HA GLU A 218 45.044 -11.612 -13.113 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.571 -13.343 -14.196 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.296 -14.023 -13.206 1.00 1.00 H new ATOM 0 HG2 GLU A 218 43.899 -14.429 -15.220 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.095 -13.652 -16.238 1.00 1.00 H new ATOM 801 N GLY A 219 46.407 -10.489 -14.911 1.00 1.00 N ATOM 802 CA GLY A 219 47.012 -9.624 -15.913 1.00 1.00 C ATOM 803 C GLY A 219 48.197 -8.874 -15.323 1.00 1.00 C ATOM 804 O GLY A 219 48.319 -8.744 -14.101 1.00 1.00 O ATOM 0 H GLY A 219 46.876 -10.482 -14.005 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.339 -10.219 -16.766 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.273 -8.914 -16.284 1.00 1.00 H new ATOM 808 N TYR A 220 49.082 -8.391 -16.192 1.00 1.00 N ATOM 809 CA TYR A 220 50.261 -7.671 -15.741 1.00 1.00 C ATOM 810 C TYR A 220 49.858 -6.345 -15.140 1.00 1.00 C ATOM 811 O TYR A 220 48.974 -5.668 -15.660 1.00 1.00 O ATOM 812 CB TYR A 220 51.200 -7.419 -16.927 1.00 1.00 C ATOM 813 CG TYR A 220 51.713 -8.743 -17.444 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.567 -9.516 -16.650 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.338 -9.198 -18.717 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.046 -10.742 -17.125 1.00 1.00 C ATOM 817 CE2 TYR A 220 51.818 -10.424 -19.191 1.00 1.00 C ATOM 818 CZ TYR A 220 52.672 -11.196 -18.395 1.00 1.00 C ATOM 819 OH TYR A 220 53.142 -12.406 -18.862 1.00 1.00 O ATOM 0 H TYR A 220 49.003 -8.486 -17.204 1.00 1.00 H new ATOM 0 HA TYR A 220 50.772 -8.271 -14.988 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.672 -6.886 -17.718 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.033 -6.788 -16.619 1.00 1.00 H new ATOM 0 HD1 TYR A 220 52.857 -9.166 -15.670 1.00 1.00 H new ATOM 0 HD2 TYR A 220 50.679 -8.602 -19.331 1.00 1.00 H new ATOM 0 HE1 TYR A 220 53.705 -11.338 -16.511 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.530 -10.774 -20.171 1.00 1.00 H new ATOM 0 HH TYR A 220 52.785 -12.571 -19.760 1.00 1.00 H new ATOM 829 N ALA A 221 50.504 -5.974 -14.036 1.00 1.00 N ATOM 830 CA ALA A 221 50.197 -4.707 -13.375 1.00 1.00 C ATOM 831 C ALA A 221 51.495 -3.972 -12.993 1.00 1.00 C ATOM 832 O ALA A 221 52.312 -4.517 -12.249 1.00 1.00 O ATOM 833 CB ALA A 221 49.362 -4.963 -12.116 1.00 1.00 C ATOM 0 H ALA A 221 51.234 -6.525 -13.585 1.00 1.00 H new ATOM 0 HA ALA A 221 49.629 -4.084 -14.066 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.137 -4.014 -11.629 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.431 -5.459 -12.391 1.00 1.00 H new ATOM 0 HB3 ALA A 221 49.923 -5.599 -11.431 1.00 1.00 H new ATOM 839 N PRO A 222 51.706 -2.757 -13.463 1.00 1.00 N ATOM 840 CA PRO A 222 52.935 -1.984 -13.127 1.00 1.00 C ATOM 841 C PRO A 222 53.266 -2.046 -11.629 1.00 1.00 C ATOM 842 O PRO A 222 52.493 -1.579 -10.796 1.00 1.00 O ATOM 843 CB PRO A 222 52.577 -0.547 -13.550 1.00 1.00 C ATOM 844 CG PRO A 222 51.541 -0.680 -14.620 1.00 1.00 C ATOM 845 CD PRO A 222 50.810 -2.000 -14.359 1.00 1.00 C ATOM 0 HA PRO A 222 53.820 -2.377 -13.627 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.194 0.025 -12.705 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.455 -0.019 -13.921 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.846 0.160 -14.593 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.002 -0.681 -15.608 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.839 -1.829 -13.895 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.629 -2.542 -15.287 1.00 1.00 H new ATOM 853 N SER A 223 54.428 -2.612 -11.312 1.00 1.00 N ATOM 854 CA SER A 223 54.884 -2.728 -9.925 1.00 1.00 C ATOM 855 C SER A 223 55.266 -1.358 -9.363 1.00 1.00 C ATOM 856 O SER A 223 55.463 -1.197 -8.162 1.00 1.00 O ATOM 857 CB SER A 223 56.094 -3.655 -9.846 1.00 1.00 C ATOM 858 OG SER A 223 57.157 -3.099 -10.607 1.00 1.00 O ATOM 0 H SER A 223 55.075 -3.000 -11.999 1.00 1.00 H new ATOM 0 HA SER A 223 54.066 -3.140 -9.334 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.402 -3.784 -8.808 1.00 1.00 H new ATOM 0 HB3 SER A 223 55.836 -4.643 -10.227 1.00 1.00 H new ATOM 0 HG SER A 223 57.938 -3.689 -10.559 1.00 1.00 H new ATOM 864 N SER A 224 55.362 -0.381 -10.250 1.00 1.00 N ATOM 865 CA SER A 224 55.711 0.983 -9.846 1.00 1.00 C ATOM 866 C SER A 224 54.496 1.742 -9.316 1.00 1.00 C ATOM 867 O SER A 224 54.609 2.532 -8.380 1.00 1.00 O ATOM 868 CB SER A 224 56.296 1.748 -11.020 1.00 1.00 C ATOM 869 OG SER A 224 56.763 3.011 -10.560 1.00 1.00 O ATOM 0 H SER A 224 55.205 -0.500 -11.251 1.00 1.00 H new ATOM 0 HA SER A 224 56.449 0.904 -9.047 1.00 1.00 H new ATOM 0 HB2 SER A 224 57.114 1.184 -11.468 1.00 1.00 H new ATOM 0 HB3 SER A 224 55.542 1.884 -11.795 1.00 1.00 H new ATOM 0 HG SER A 224 57.144 3.512 -11.311 1.00 1.00 H new ATOM 875 N TYR A 225 53.339 1.520 -9.933 1.00 1.00 N ATOM 876 CA TYR A 225 52.116 2.214 -9.526 1.00 1.00 C ATOM 877 C TYR A 225 51.438 1.494 -8.370 1.00 1.00 C ATOM 878 O TYR A 225 50.259 1.707 -8.097 1.00 1.00 O ATOM 879 CB TYR A 225 51.151 2.294 -10.710 1.00 1.00 C ATOM 880 CG TYR A 225 51.677 3.285 -11.724 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.786 2.958 -12.514 1.00 1.00 C ATOM 882 CD2 TYR A 225 51.057 4.532 -11.869 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.274 3.880 -13.451 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.545 5.452 -12.804 1.00 1.00 C ATOM 885 CZ TYR A 225 52.652 5.127 -13.596 1.00 1.00 C ATOM 886 OH TYR A 225 53.131 6.036 -14.519 1.00 1.00 O ATOM 0 H TYR A 225 53.220 0.871 -10.711 1.00 1.00 H new ATOM 0 HA TYR A 225 52.386 3.218 -9.198 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.040 1.312 -11.169 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.162 2.599 -10.367 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.265 1.997 -12.402 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.202 4.784 -11.259 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.129 3.629 -14.061 1.00 1.00 H new ATOM 0 HE2 TYR A 225 51.067 6.414 -12.914 1.00 1.00 H new ATOM 0 HH TYR A 225 52.584 6.849 -14.491 1.00 1.00 H new ATOM 896 N LEU A 226 52.197 0.644 -7.689 1.00 1.00 N ATOM 897 CA LEU A 226 51.670 -0.098 -6.550 1.00 1.00 C ATOM 898 C LEU A 226 52.780 -0.400 -5.555 1.00 1.00 C ATOM 899 O LEU A 226 53.956 -0.170 -5.839 1.00 1.00 O ATOM 900 CB LEU A 226 51.023 -1.395 -7.020 1.00 1.00 C ATOM 901 CG LEU A 226 52.040 -2.240 -7.810 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.059 -2.943 -6.872 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.269 -3.267 -8.660 1.00 1.00 C ATOM 0 H LEU A 226 53.175 0.452 -7.904 1.00 1.00 H new ATOM 0 HA LEU A 226 50.915 0.514 -6.057 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.658 -1.960 -6.162 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.159 -1.173 -7.646 1.00 1.00 H new ATOM 0 HG LEU A 226 52.620 -1.584 -8.459 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.759 -3.529 -7.468 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.607 -2.192 -6.303 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.527 -3.602 -6.186 1.00 1.00 H new ATOM 0 HD21 LEU A 226 51.975 -3.874 -9.226 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.679 -3.910 -8.007 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.606 -2.744 -9.349 1.00 1.00 H new ATOM 915 N VAL A 227 52.408 -0.922 -4.390 1.00 1.00 N ATOM 916 CA VAL A 227 53.390 -1.260 -3.355 1.00 1.00 C ATOM 917 C VAL A 227 53.046 -2.602 -2.715 1.00 1.00 C ATOM 918 O VAL A 227 51.894 -3.035 -2.737 1.00 1.00 O ATOM 919 CB VAL A 227 53.412 -0.170 -2.285 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.310 -0.595 -1.119 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.948 1.129 -2.891 1.00 1.00 C ATOM 0 H VAL A 227 51.440 -1.121 -4.136 1.00 1.00 H new ATOM 0 HA VAL A 227 54.374 -1.332 -3.818 1.00 1.00 H new ATOM 0 HB VAL A 227 52.398 -0.014 -1.916 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.319 0.189 -0.362 1.00 1.00 H new ATOM 0 HG12 VAL A 227 53.927 -1.517 -0.682 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.324 -0.760 -1.482 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.964 1.907 -2.128 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.959 0.966 -3.264 1.00 1.00 H new ATOM 0 HG23 VAL A 227 53.303 1.440 -3.713 1.00 1.00 H new ATOM 931 N GLU A 228 54.054 -3.252 -2.140 1.00 1.00 N ATOM 932 CA GLU A 228 53.852 -4.540 -1.486 1.00 1.00 C ATOM 933 C GLU A 228 52.988 -4.385 -0.248 1.00 1.00 C ATOM 934 O GLU A 228 53.081 -3.387 0.468 1.00 1.00 O ATOM 935 CB GLU A 228 55.197 -5.145 -1.086 1.00 1.00 C ATOM 936 CG GLU A 228 55.945 -5.577 -2.337 1.00 1.00 C ATOM 937 CD GLU A 228 57.328 -6.105 -1.962 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.615 -6.173 -0.777 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.083 -6.430 -2.865 1.00 1.00 O ATOM 0 H GLU A 228 55.014 -2.909 -2.114 1.00 1.00 H new ATOM 0 HA GLU A 228 53.348 -5.201 -2.191 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.786 -4.416 -0.530 1.00 1.00 H new ATOM 0 HB3 GLU A 228 55.043 -6.000 -0.427 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.381 -6.350 -2.859 1.00 1.00 H new ATOM 0 HG3 GLU A 228 56.042 -4.735 -3.022 1.00 1.00 H new ATOM 946 N LYS A 229 52.149 -5.384 -0.001 1.00 1.00 N ATOM 947 CA LYS A 229 51.263 -5.367 1.167 1.00 1.00 C ATOM 948 C LYS A 229 51.836 -6.235 2.279 1.00 1.00 C ATOM 949 O LYS A 229 51.728 -5.898 3.460 1.00 1.00 O ATOM 950 CB LYS A 229 49.866 -5.869 0.787 1.00 1.00 C ATOM 951 CG LYS A 229 48.908 -5.623 1.951 1.00 1.00 C ATOM 952 CD LYS A 229 47.490 -5.981 1.516 1.00 1.00 C ATOM 953 CE LYS A 229 46.528 -5.795 2.691 1.00 1.00 C ATOM 954 NZ LYS A 229 46.490 -4.355 3.076 1.00 1.00 N ATOM 0 H LYS A 229 52.060 -6.214 -0.588 1.00 1.00 H new ATOM 0 HA LYS A 229 51.185 -4.339 1.522 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.512 -5.353 -0.106 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.901 -6.932 0.548 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.200 -6.224 2.812 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.954 -4.579 2.261 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.185 -5.350 0.681 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.456 -7.013 1.166 1.00 1.00 H new ATOM 0 HE2 LYS A 229 45.530 -6.136 2.416 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.849 -6.401 3.538 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 45.667 -4.181 3.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 47.361 -4.110 3.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 46.415 -3.769 2.220 1.00 1.00 H new