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= 0.264 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 80:sc= 0.23 USER MOD Single : A 198 TYR OH : rot 140:sc= -0.349 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 X(o=0,f=-0.053) USER MOD Single : A 214 LYS NZ :NH3+ -121:sc= -1.21! (180deg=-2.12!) USER MOD Single : A 215 ASN :FLIP amide:sc=-0.00473 F(o=-1.4,f=-0.0047) USER MOD Single : A 217 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0006) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.246 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+ -101:sc= 1.12 (180deg=-0.324) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.422 -12.554 -2.544 1.00 1.00 N ATOM 66 CA THR A 174 51.824 -11.604 -1.610 1.00 1.00 C ATOM 67 C THR A 174 50.764 -10.779 -2.312 1.00 1.00 C ATOM 68 O THR A 174 50.373 -11.084 -3.432 1.00 1.00 O ATOM 69 CB THR A 174 52.911 -10.689 -1.041 1.00 1.00 C ATOM 70 OG1 THR A 174 52.430 -10.061 0.138 1.00 1.00 O ATOM 71 CG2 THR A 174 53.303 -9.626 -2.071 1.00 1.00 C ATOM 0 HA THR A 174 51.355 -12.153 -0.794 1.00 1.00 H new ATOM 0 HB THR A 174 53.791 -11.287 -0.803 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.126 -9.476 0.504 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.077 -8.982 -1.653 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.682 -10.113 -2.970 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.429 -9.025 -2.325 1.00 1.00 H new ATOM 79 N LEU A 175 50.314 -9.725 -1.644 1.00 1.00 N ATOM 80 CA LEU A 175 49.298 -8.838 -2.205 1.00 1.00 C ATOM 81 C LEU A 175 49.888 -7.446 -2.377 1.00 1.00 C ATOM 82 O LEU A 175 50.821 -7.068 -1.670 1.00 1.00 O ATOM 83 CB LEU A 175 48.066 -8.773 -1.287 1.00 1.00 C ATOM 84 CG LEU A 175 47.789 -10.144 -0.674 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.670 -10.032 0.368 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.378 -11.118 -1.779 1.00 1.00 C ATOM 0 H LEU A 175 50.635 -9.462 -0.712 1.00 1.00 H new ATOM 0 HA LEU A 175 48.983 -9.228 -3.173 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.231 -8.040 -0.497 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.198 -8.439 -1.855 1.00 1.00 H new ATOM 0 HG LEU A 175 48.690 -10.512 -0.184 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.477 -11.013 0.802 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.973 -9.341 1.155 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.763 -9.662 -0.110 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.179 -12.098 -1.345 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.478 -10.750 -2.272 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.183 -11.201 -2.509 1.00 1.00 H new ATOM 98 N VAL A 176 49.343 -6.686 -3.319 1.00 1.00 N ATOM 99 CA VAL A 176 49.826 -5.329 -3.586 1.00 1.00 C ATOM 100 C VAL A 176 48.656 -4.369 -3.598 1.00 1.00 C ATOM 101 O VAL A 176 47.515 -4.798 -3.696 1.00 1.00 O ATOM 102 CB VAL A 176 50.531 -5.281 -4.938 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.773 -6.164 -4.882 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.593 -5.794 -6.033 1.00 1.00 C ATOM 0 H VAL A 176 48.568 -6.982 -3.912 1.00 1.00 H new ATOM 0 HA VAL A 176 50.530 -5.043 -2.804 1.00 1.00 H new ATOM 0 HB VAL A 176 50.814 -4.253 -5.164 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.283 -6.136 -5.845 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.444 -5.799 -4.105 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.480 -7.190 -4.657 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.103 -5.757 -6.996 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.306 -6.822 -5.814 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.701 -5.169 -6.071 1.00 1.00 H new ATOM 114 N ILE A 177 48.946 -3.071 -3.495 1.00 1.00 N ATOM 115 CA ILE A 177 47.896 -2.050 -3.492 1.00 1.00 C ATOM 116 C ILE A 177 48.141 -1.048 -4.616 1.00 1.00 C ATOM 117 O ILE A 177 49.233 -0.503 -4.741 1.00 1.00 O ATOM 118 CB ILE A 177 47.897 -1.313 -2.148 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.821 -2.345 -1.016 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.680 -0.376 -2.066 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.570 -1.642 0.320 1.00 1.00 C ATOM 0 H ILE A 177 49.894 -2.703 -3.413 1.00 1.00 H new ATOM 0 HA ILE A 177 46.931 -2.534 -3.644 1.00 1.00 H new ATOM 0 HB ILE A 177 48.809 -0.723 -2.055 1.00 1.00 H new ATOM 0 HG12 ILE A 177 47.021 -3.058 -1.217 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.750 -2.913 -0.968 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.686 0.145 -1.109 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.726 0.352 -2.876 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.764 -0.960 -2.155 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.518 -2.384 1.117 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.384 -0.947 0.524 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.629 -1.094 0.272 1.00 1.00 H new ATOM 133 N ALA A 178 47.111 -0.807 -5.418 1.00 1.00 N ATOM 134 CA ALA A 178 47.210 0.138 -6.530 1.00 1.00 C ATOM 135 C ALA A 178 46.986 1.570 -6.047 1.00 1.00 C ATOM 136 O ALA A 178 45.888 1.931 -5.631 1.00 1.00 O ATOM 137 CB ALA A 178 46.178 -0.223 -7.607 1.00 1.00 C ATOM 0 H ALA A 178 46.198 -1.251 -5.322 1.00 1.00 H new ATOM 0 HA ALA A 178 48.212 0.075 -6.953 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.254 0.482 -8.434 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.370 -1.232 -7.972 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.176 -0.176 -7.181 1.00 1.00 H new ATOM 143 N LEU A 179 48.039 2.376 -6.111 1.00 1.00 N ATOM 144 CA LEU A 179 47.951 3.763 -5.680 1.00 1.00 C ATOM 145 C LEU A 179 46.966 4.524 -6.553 1.00 1.00 C ATOM 146 O LEU A 179 46.181 5.333 -6.060 1.00 1.00 O ATOM 147 CB LEU A 179 49.328 4.424 -5.760 1.00 1.00 C ATOM 148 CG LEU A 179 50.265 3.787 -4.721 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.689 4.312 -4.934 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.791 4.110 -3.281 1.00 1.00 C ATOM 0 H LEU A 179 48.957 2.094 -6.455 1.00 1.00 H new ATOM 0 HA LEU A 179 47.601 3.786 -4.648 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.743 4.304 -6.761 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.240 5.495 -5.577 1.00 1.00 H new ATOM 0 HG LEU A 179 50.249 2.705 -4.849 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.356 3.862 -4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.026 4.052 -5.937 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.698 5.396 -4.818 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.469 3.649 -2.563 1.00 1.00 H new ATOM 0 HD22 LEU A 179 49.786 5.190 -3.133 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.785 3.718 -3.133 1.00 1.00 H new ATOM 162 N TYR A 180 47.012 4.261 -7.859 1.00 1.00 N ATOM 163 CA TYR A 180 46.119 4.926 -8.814 1.00 1.00 C ATOM 164 C TYR A 180 45.314 3.896 -9.595 1.00 1.00 C ATOM 165 O TYR A 180 45.737 2.750 -9.751 1.00 1.00 O ATOM 166 CB TYR A 180 46.938 5.779 -9.784 1.00 1.00 C ATOM 167 CG TYR A 180 47.697 6.829 -9.006 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.059 8.016 -8.624 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.040 6.617 -8.670 1.00 1.00 C ATOM 170 CE1 TYR A 180 47.763 8.989 -7.905 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.744 7.591 -7.952 1.00 1.00 C ATOM 172 CZ TYR A 180 49.106 8.777 -7.571 1.00 1.00 C ATOM 173 OH TYR A 180 49.802 9.738 -6.864 1.00 1.00 O ATOM 0 H TYR A 180 47.657 3.593 -8.282 1.00 1.00 H new ATOM 0 HA TYR A 180 45.431 5.565 -8.260 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.632 5.151 -10.342 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.281 6.254 -10.513 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.024 8.181 -8.884 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.533 5.702 -8.965 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.270 9.903 -7.608 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.779 7.427 -7.692 1.00 1.00 H new ATOM 0 HH TYR A 180 50.721 9.432 -6.714 1.00 1.00 H new ATOM 183 N ASP A 181 44.149 4.310 -10.078 1.00 1.00 N ATOM 184 CA ASP A 181 43.291 3.411 -10.836 1.00 1.00 C ATOM 185 C ASP A 181 43.867 3.179 -12.227 1.00 1.00 C ATOM 186 O ASP A 181 43.634 3.965 -13.145 1.00 1.00 O ATOM 187 CB ASP A 181 41.889 4.013 -10.960 1.00 1.00 C ATOM 188 CG ASP A 181 40.958 3.030 -11.662 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.444 2.014 -12.129 1.00 1.00 O ATOM 190 OD2 ASP A 181 39.771 3.310 -11.722 1.00 1.00 O ATOM 0 H ASP A 181 43.780 5.254 -9.959 1.00 1.00 H new ATOM 0 HA ASP A 181 43.234 2.458 -10.310 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.499 4.253 -9.971 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.934 4.947 -11.520 1.00 1.00 H new ATOM 195 N TYR A 182 44.617 2.089 -12.378 1.00 1.00 N ATOM 196 CA TYR A 182 45.222 1.752 -13.665 1.00 1.00 C ATOM 197 C TYR A 182 44.279 0.874 -14.477 1.00 1.00 C ATOM 198 O TYR A 182 43.769 -0.130 -13.980 1.00 1.00 O ATOM 199 CB TYR A 182 46.540 1.010 -13.447 1.00 1.00 C ATOM 200 CG TYR A 182 47.266 0.877 -14.763 1.00 1.00 C ATOM 201 CD1 TYR A 182 46.995 -0.210 -15.603 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.208 1.840 -15.143 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.669 -0.335 -16.823 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.881 1.715 -16.364 1.00 1.00 C ATOM 205 CZ TYR A 182 48.612 0.627 -17.204 1.00 1.00 C ATOM 206 OH TYR A 182 49.275 0.504 -18.407 1.00 1.00 O ATOM 0 H TYR A 182 44.820 1.427 -11.629 1.00 1.00 H new ATOM 0 HA TYR A 182 45.412 2.677 -14.210 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.159 1.550 -12.731 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.349 0.024 -13.024 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.266 -0.951 -15.310 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.415 2.679 -14.495 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.462 -1.174 -17.471 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.608 2.458 -16.658 1.00 1.00 H new ATOM 0 HH TYR A 182 49.894 1.256 -18.518 1.00 1.00 H new ATOM 319 N LEU A 190 45.981 -5.986 -16.170 1.00 1.00 N ATOM 320 CA LEU A 190 44.875 -6.224 -15.245 1.00 1.00 C ATOM 321 C LEU A 190 44.311 -4.897 -14.742 1.00 1.00 C ATOM 322 O LEU A 190 45.047 -4.058 -14.226 1.00 1.00 O ATOM 323 CB LEU A 190 45.356 -7.058 -14.053 1.00 1.00 C ATOM 324 CG LEU A 190 44.150 -7.501 -13.216 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.276 -8.502 -14.006 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.646 -8.166 -11.933 1.00 1.00 C ATOM 0 HA LEU A 190 44.093 -6.768 -15.774 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.907 -7.930 -14.405 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.042 -6.473 -13.440 1.00 1.00 H new ATOM 0 HG LEU A 190 43.548 -6.625 -12.976 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.426 -8.804 -13.395 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.916 -8.029 -14.920 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.869 -9.380 -14.262 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.792 -8.483 -11.334 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.255 -9.034 -12.185 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.245 -7.456 -11.363 1.00 1.00 H new ATOM 338 N ALA A 191 43.001 -4.720 -14.894 1.00 1.00 N ATOM 339 CA ALA A 191 42.345 -3.496 -14.447 1.00 1.00 C ATOM 340 C ALA A 191 42.496 -3.341 -12.940 1.00 1.00 C ATOM 341 O ALA A 191 41.938 -4.122 -12.167 1.00 1.00 O ATOM 342 CB ALA A 191 40.860 -3.535 -14.807 1.00 1.00 C ATOM 0 H ALA A 191 42.377 -5.405 -15.321 1.00 1.00 H new ATOM 0 HA ALA A 191 42.815 -2.648 -14.945 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.379 -2.617 -14.469 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.750 -3.626 -15.888 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.390 -4.390 -14.321 1.00 1.00 H new ATOM 348 N LEU A 192 43.259 -2.330 -12.527 1.00 1.00 N ATOM 349 CA LEU A 192 43.492 -2.072 -11.104 1.00 1.00 C ATOM 350 C LEU A 192 42.585 -0.953 -10.609 1.00 1.00 C ATOM 351 O LEU A 192 42.014 -0.207 -11.404 1.00 1.00 O ATOM 352 CB LEU A 192 44.951 -1.679 -10.874 1.00 1.00 C ATOM 353 CG LEU A 192 45.857 -2.515 -11.778 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.326 -2.160 -11.506 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.627 -4.010 -11.492 1.00 1.00 C ATOM 0 H LEU A 192 43.726 -1.676 -13.155 1.00 1.00 H new ATOM 0 HA LEU A 192 43.268 -2.984 -10.550 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.090 -0.618 -11.084 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.220 -1.835 -9.829 1.00 1.00 H new ATOM 0 HG LEU A 192 45.622 -2.304 -12.821 1.00 1.00 H new ATOM 0 HD11 LEU A 192 47.970 -2.757 -12.151 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.488 -1.102 -11.710 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.564 -2.369 -10.463 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.273 -4.607 -12.136 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.860 -4.221 -10.448 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.585 -4.262 -11.689 1.00 1.00 H new ATOM 367 N ARG A 193 42.455 -0.841 -9.288 1.00 1.00 N ATOM 368 CA ARG A 193 41.602 0.191 -8.686 1.00 1.00 C ATOM 369 C ARG A 193 42.349 0.867 -7.542 1.00 1.00 C ATOM 370 O ARG A 193 43.117 0.230 -6.824 1.00 1.00 O ATOM 371 CB ARG A 193 40.270 -0.435 -8.175 1.00 1.00 C ATOM 372 CG ARG A 193 40.198 -1.895 -8.594 1.00 1.00 C ATOM 373 CD ARG A 193 38.880 -2.494 -8.119 1.00 1.00 C ATOM 374 NE ARG A 193 37.770 -1.796 -8.749 1.00 1.00 N ATOM 375 CZ ARG A 193 36.516 -2.054 -8.408 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.264 -2.946 -7.491 1.00 1.00 N ATOM 377 NH2 ARG A 193 35.538 -1.414 -8.985 1.00 1.00 N ATOM 0 H ARG A 193 42.925 -1.446 -8.615 1.00 1.00 H new ATOM 0 HA ARG A 193 41.358 0.938 -9.441 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.212 -0.355 -7.090 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.420 0.113 -8.581 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.278 -1.978 -9.678 1.00 1.00 H new ATOM 0 HG3 ARG A 193 41.036 -2.448 -8.169 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.842 -3.555 -8.365 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.803 -2.415 -7.035 1.00 1.00 H new ATOM 0 HE ARG A 193 37.960 -1.096 -9.466 1.00 1.00 H new ATOM 0 HH11 ARG A 193 37.031 -3.443 -7.038 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.300 -3.147 -7.226 1.00 1.00 H new ATOM 0 HH21 ARG A 193 35.738 -0.714 -9.700 1.00 1.00 H new ATOM 0 HH22 ARG A 193 34.573 -1.613 -8.722 1.00 1.00 H new ATOM 391 N CYS A 194 42.120 2.159 -7.383 1.00 1.00 N ATOM 392 CA CYS A 194 42.779 2.912 -6.329 1.00 1.00 C ATOM 393 C CYS A 194 42.314 2.435 -4.961 1.00 1.00 C ATOM 394 O CYS A 194 41.115 2.318 -4.713 1.00 1.00 O ATOM 395 CB CYS A 194 42.447 4.397 -6.468 1.00 1.00 C ATOM 396 SG CYS A 194 43.010 5.288 -4.993 1.00 1.00 S ATOM 0 H CYS A 194 41.487 2.706 -7.966 1.00 1.00 H new ATOM 0 HA CYS A 194 43.854 2.758 -6.420 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.927 4.805 -7.357 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.373 4.529 -6.597 1.00 1.00 H new ATOM 0 HG CYS A 194 44.288 5.510 -5.081 1.00 1.00 H new ATOM 402 N ASP A 195 43.280 2.159 -4.090 1.00 1.00 N ATOM 403 CA ASP A 195 42.988 1.689 -2.733 1.00 1.00 C ATOM 404 C ASP A 195 42.755 0.182 -2.724 1.00 1.00 C ATOM 405 O ASP A 195 42.906 -0.468 -1.690 1.00 1.00 O ATOM 406 CB ASP A 195 41.741 2.412 -2.172 1.00 1.00 C ATOM 407 CG ASP A 195 41.815 2.535 -0.653 1.00 1.00 C ATOM 408 OD1 ASP A 195 41.439 1.587 0.018 1.00 1.00 O ATOM 409 OD2 ASP A 195 42.237 3.579 -0.184 1.00 1.00 O ATOM 0 H ASP A 195 44.274 2.252 -4.297 1.00 1.00 H new ATOM 0 HA ASP A 195 43.848 1.915 -2.102 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.661 3.404 -2.617 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.842 1.863 -2.452 1.00 1.00 H new ATOM 414 N GLU A 196 42.384 -0.376 -3.874 1.00 1.00 N ATOM 415 CA GLU A 196 42.134 -1.797 -3.960 1.00 1.00 C ATOM 416 C GLU A 196 43.448 -2.564 -3.942 1.00 1.00 C ATOM 417 O GLU A 196 44.518 -1.991 -4.148 1.00 1.00 O ATOM 418 CB GLU A 196 41.358 -2.095 -5.253 1.00 1.00 C ATOM 419 CG GLU A 196 41.210 -3.603 -5.467 1.00 1.00 C ATOM 420 CD GLU A 196 40.574 -4.243 -4.232 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.774 -3.577 -3.596 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.913 -5.376 -3.928 1.00 1.00 O ATOM 0 H GLU A 196 42.253 0.135 -4.747 1.00 1.00 H new ATOM 0 HA GLU A 196 41.541 -2.115 -3.102 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.372 -1.632 -5.205 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.877 -1.652 -6.103 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.594 -3.796 -6.345 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.186 -4.050 -5.657 1.00 1.00 H new ATOM 429 N GLU A 197 43.354 -3.872 -3.714 1.00 1.00 N ATOM 430 CA GLU A 197 44.523 -4.739 -3.697 1.00 1.00 C ATOM 431 C GLU A 197 44.306 -5.935 -4.623 1.00 1.00 C ATOM 432 O GLU A 197 43.181 -6.235 -5.029 1.00 1.00 O ATOM 433 CB GLU A 197 44.795 -5.221 -2.273 1.00 1.00 C ATOM 434 CG GLU A 197 43.475 -5.569 -1.603 1.00 1.00 C ATOM 435 CD GLU A 197 43.731 -6.362 -0.327 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.871 -6.737 -0.104 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.785 -6.585 0.408 1.00 1.00 O ATOM 0 H GLU A 197 42.473 -4.354 -3.538 1.00 1.00 H new ATOM 0 HA GLU A 197 45.386 -4.174 -4.050 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.449 -6.093 -2.290 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.311 -4.446 -1.706 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.925 -4.657 -1.370 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.854 -6.151 -2.284 1.00 1.00 H new ATOM 444 N TYR A 198 45.401 -6.603 -4.951 1.00 1.00 N ATOM 445 CA TYR A 198 45.364 -7.772 -5.838 1.00 1.00 C ATOM 446 C TYR A 198 46.325 -8.845 -5.342 1.00 1.00 C ATOM 447 O TYR A 198 47.106 -8.616 -4.423 1.00 1.00 O ATOM 448 CB TYR A 198 45.749 -7.366 -7.254 1.00 1.00 C ATOM 449 CG TYR A 198 44.644 -6.526 -7.848 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.505 -5.184 -7.476 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.763 -7.088 -8.776 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.484 -4.404 -8.035 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.741 -6.308 -9.334 1.00 1.00 C ATOM 454 CZ TYR A 198 42.603 -4.969 -8.965 1.00 1.00 C ATOM 455 OH TYR A 198 41.591 -4.209 -9.516 1.00 1.00 O ATOM 0 H TYR A 198 46.334 -6.360 -4.618 1.00 1.00 H new ATOM 0 HA TYR A 198 44.350 -8.172 -5.838 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.683 -6.804 -7.243 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.917 -8.252 -7.866 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.185 -4.750 -6.758 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.870 -8.124 -9.063 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.377 -3.368 -7.749 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.060 -6.743 -10.050 1.00 1.00 H new ATOM 0 HH TYR A 198 41.496 -4.430 -10.466 1.00 1.00 H new ATOM 465 N TYR A 199 46.249 -10.018 -5.957 1.00 1.00 N ATOM 466 CA TYR A 199 47.101 -11.152 -5.581 1.00 1.00 C ATOM 467 C TYR A 199 48.370 -11.165 -6.409 1.00 1.00 C ATOM 468 O TYR A 199 48.316 -11.224 -7.630 1.00 1.00 O ATOM 469 CB TYR A 199 46.334 -12.485 -5.795 1.00 1.00 C ATOM 470 CG TYR A 199 46.078 -13.149 -4.469 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.149 -13.697 -3.758 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.783 -13.207 -3.956 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.929 -14.305 -2.523 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.551 -13.808 -2.721 1.00 1.00 C ATOM 475 CZ TYR A 199 45.626 -14.364 -1.998 1.00 1.00 C ATOM 476 OH TYR A 199 45.403 -14.953 -0.770 1.00 1.00 O ATOM 0 H TYR A 199 45.605 -10.215 -6.723 1.00 1.00 H new ATOM 0 HA TYR A 199 47.366 -11.047 -4.529 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.389 -12.293 -6.304 1.00 1.00 H new ATOM 0 HB3 TYR A 199 46.913 -13.148 -6.438 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.148 -13.649 -4.166 1.00 1.00 H new ATOM 0 HD2 TYR A 199 43.961 -12.786 -4.516 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.756 -14.729 -1.972 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.550 -13.848 -2.318 1.00 1.00 H new ATOM 0 HH TYR A 199 44.448 -14.909 -0.555 1.00 1.00 H new ATOM 486 N LEU A 200 49.510 -11.117 -5.733 1.00 1.00 N ATOM 487 CA LEU A 200 50.788 -11.124 -6.424 1.00 1.00 C ATOM 488 C LEU A 200 51.203 -12.554 -6.726 1.00 1.00 C ATOM 489 O LEU A 200 51.248 -13.402 -5.831 1.00 1.00 O ATOM 490 CB LEU A 200 51.871 -10.449 -5.558 1.00 1.00 C ATOM 491 CG LEU A 200 53.031 -9.947 -6.440 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.540 -8.836 -7.394 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.136 -9.393 -5.538 1.00 1.00 C ATOM 0 H LEU A 200 49.574 -11.073 -4.716 1.00 1.00 H new ATOM 0 HA LEU A 200 50.682 -10.569 -7.356 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.437 -9.614 -5.008 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.248 -11.156 -4.819 1.00 1.00 H new ATOM 0 HG LEU A 200 53.413 -10.775 -7.036 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.371 -8.492 -8.010 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.751 -9.229 -8.035 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.151 -8.001 -6.811 1.00 1.00 H new ATOM 0 HD21 LEU A 200 54.962 -9.035 -6.153 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.742 -8.568 -4.944 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.493 -10.180 -4.874 1.00 1.00 H new ATOM 505 N LEU A 201 51.502 -12.817 -7.991 1.00 1.00 N ATOM 506 CA LEU A 201 51.921 -14.158 -8.415 1.00 1.00 C ATOM 507 C LEU A 201 53.414 -14.206 -8.701 1.00 1.00 C ATOM 508 O LEU A 201 54.173 -14.861 -7.988 1.00 1.00 O ATOM 509 CB LEU A 201 51.155 -14.577 -9.667 1.00 1.00 C ATOM 510 CG LEU A 201 49.625 -14.478 -9.400 1.00 1.00 C ATOM 511 CD1 LEU A 201 49.092 -13.108 -9.865 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.892 -15.599 -10.146 1.00 1.00 C ATOM 0 H LEU A 201 51.464 -12.128 -8.742 1.00 1.00 H new ATOM 0 HA LEU A 201 51.701 -14.847 -7.600 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.430 -13.937 -10.505 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.421 -15.597 -9.944 1.00 1.00 H new ATOM 0 HG LEU A 201 49.447 -14.583 -8.330 1.00 1.00 H new ATOM 0 HD11 LEU A 201 48.021 -13.050 -9.673 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.602 -12.315 -9.318 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.276 -12.989 -10.933 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.822 -15.524 -9.955 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.077 -15.505 -11.216 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.256 -16.566 -9.798 1.00 1.00 H new ATOM 524 N ASP A 202 53.826 -13.511 -9.755 1.00 1.00 N ATOM 525 CA ASP A 202 55.237 -13.480 -10.144 1.00 1.00 C ATOM 526 C ASP A 202 55.868 -12.155 -9.747 1.00 1.00 C ATOM 527 O ASP A 202 55.899 -11.211 -10.534 1.00 1.00 O ATOM 528 CB ASP A 202 55.366 -13.684 -11.656 1.00 1.00 C ATOM 529 CG ASP A 202 56.799 -14.065 -12.010 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.667 -13.858 -11.178 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.006 -14.560 -13.105 1.00 1.00 O ATOM 0 H ASP A 202 53.209 -12.963 -10.355 1.00 1.00 H new ATOM 0 HA ASP A 202 55.759 -14.285 -9.627 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.681 -14.465 -11.986 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.084 -12.771 -12.180 1.00 1.00 H new ATOM 536 N SER A 203 56.374 -12.093 -8.522 1.00 1.00 N ATOM 537 CA SER A 203 57.010 -10.878 -8.030 1.00 1.00 C ATOM 538 C SER A 203 58.437 -10.772 -8.556 1.00 1.00 C ATOM 539 O SER A 203 58.957 -9.671 -8.748 1.00 1.00 O ATOM 540 CB SER A 203 57.017 -10.889 -6.505 1.00 1.00 C ATOM 541 OG SER A 203 58.240 -11.443 -6.034 1.00 1.00 O ATOM 0 H SER A 203 56.357 -12.864 -7.855 1.00 1.00 H new ATOM 0 HA SER A 203 56.446 -10.015 -8.385 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.896 -9.875 -6.124 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.175 -11.472 -6.132 1.00 1.00 H new ATOM 0 HG SER A 203 58.241 -11.447 -5.054 1.00 1.00 H new ATOM 609 N TRP A 208 57.931 -7.182 -15.440 1.00 1.00 N ATOM 610 CA TRP A 208 56.532 -6.860 -15.168 1.00 1.00 C ATOM 611 C TRP A 208 55.981 -7.716 -14.032 1.00 1.00 C ATOM 612 O TRP A 208 56.237 -8.916 -13.966 1.00 1.00 O ATOM 613 CB TRP A 208 55.701 -7.102 -16.427 1.00 1.00 C ATOM 614 CG TRP A 208 55.926 -6.002 -17.406 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.730 -6.083 -18.485 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.348 -4.667 -17.418 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.696 -4.879 -19.157 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.853 -3.970 -18.540 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.446 -3.998 -16.571 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.475 -2.652 -18.811 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.063 -2.676 -16.840 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.575 -2.003 -17.955 1.00 1.00 C ATOM 0 HA TRP A 208 56.474 -5.813 -14.872 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.973 -8.058 -16.874 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.644 -7.160 -16.169 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.306 -6.949 -18.776 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.227 -4.682 -20.005 1.00 1.00 H new ATOM 0 HE3 TRP A 208 54.045 -4.506 -15.707 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.873 -2.138 -19.673 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.369 -2.174 -16.183 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.277 -0.985 -18.156 1.00 1.00 H new ATOM 633 N TRP A 209 55.213 -7.088 -13.151 1.00 1.00 N ATOM 634 CA TRP A 209 54.620 -7.796 -12.014 1.00 1.00 C ATOM 635 C TRP A 209 53.257 -8.345 -12.389 1.00 1.00 C ATOM 636 O TRP A 209 52.363 -7.621 -12.834 1.00 1.00 O ATOM 637 CB TRP A 209 54.503 -6.838 -10.799 1.00 1.00 C ATOM 638 CG TRP A 209 55.661 -6.996 -9.851 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.881 -7.509 -10.149 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.718 -6.633 -8.448 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.651 -7.521 -9.014 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.989 -6.981 -7.945 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.794 -6.057 -7.563 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.341 -6.757 -6.625 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.143 -5.826 -6.224 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.416 -6.180 -5.757 1.00 1.00 C ATOM 0 H TRP A 209 54.984 -6.095 -13.197 1.00 1.00 H new ATOM 0 HA TRP A 209 55.264 -8.632 -11.742 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.459 -5.807 -11.151 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.570 -7.034 -10.270 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.195 -7.853 -11.123 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.602 -7.888 -8.972 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.808 -5.790 -7.915 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.325 -7.027 -6.271 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.429 -5.374 -5.551 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.680 -6.006 -4.724 1.00 1.00 H new ATOM 657 N ARG A 210 53.118 -9.650 -12.183 1.00 1.00 N ATOM 658 CA ARG A 210 51.874 -10.335 -12.476 1.00 1.00 C ATOM 659 C ARG A 210 50.961 -10.288 -11.270 1.00 1.00 C ATOM 660 O ARG A 210 51.377 -10.601 -10.154 1.00 1.00 O ATOM 661 CB ARG A 210 52.137 -11.797 -12.850 1.00 1.00 C ATOM 662 CG ARG A 210 52.733 -11.867 -14.253 1.00 1.00 C ATOM 663 CD ARG A 210 53.009 -13.327 -14.614 1.00 1.00 C ATOM 664 NE ARG A 210 53.502 -13.423 -15.983 1.00 1.00 N ATOM 665 CZ ARG A 210 54.127 -14.510 -16.417 1.00 1.00 C ATOM 666 NH1 ARG A 210 54.312 -15.519 -15.612 1.00 1.00 N ATOM 667 NH2 ARG A 210 54.557 -14.568 -17.648 1.00 1.00 N ATOM 0 H ARG A 210 53.855 -10.251 -11.814 1.00 1.00 H new ATOM 0 HA ARG A 210 51.398 -9.832 -13.318 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.820 -12.250 -12.131 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.208 -12.366 -12.810 1.00 1.00 H new ATOM 0 HG2 ARG A 210 52.046 -11.426 -14.975 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.656 -11.289 -14.297 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.742 -13.747 -13.925 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.097 -13.914 -14.506 1.00 1.00 H new ATOM 0 HE ARG A 210 53.364 -12.638 -16.620 1.00 1.00 H new ATOM 0 HH11 ARG A 210 53.976 -15.472 -14.650 1.00 1.00 H new ATOM 0 HH12 ARG A 210 54.792 -16.355 -15.944 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.413 -13.778 -18.276 1.00 1.00 H new ATOM 0 HH22 ARG A 210 55.037 -15.404 -17.982 1.00 1.00 H new ATOM 681 N VAL A 211 49.711 -9.885 -11.490 1.00 1.00 N ATOM 682 CA VAL A 211 48.736 -9.793 -10.410 1.00 1.00 C ATOM 683 C VAL A 211 47.474 -10.558 -10.782 1.00 1.00 C ATOM 684 O VAL A 211 47.233 -10.836 -11.957 1.00 1.00 O ATOM 685 CB VAL A 211 48.381 -8.332 -10.156 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.576 -7.626 -9.521 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.030 -7.648 -11.481 1.00 1.00 C ATOM 0 H VAL A 211 49.352 -9.618 -12.406 1.00 1.00 H new ATOM 0 HA VAL A 211 49.169 -10.225 -9.508 1.00 1.00 H new ATOM 0 HB VAL A 211 47.524 -8.278 -9.485 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.326 -6.581 -9.338 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.825 -8.110 -8.577 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.431 -7.682 -10.194 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.777 -6.604 -11.296 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.885 -7.700 -12.155 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.178 -8.153 -11.936 1.00 1.00 H new ATOM 697 N GLN A 212 46.659 -10.901 -9.778 1.00 1.00 N ATOM 698 CA GLN A 212 45.420 -11.634 -10.014 1.00 1.00 C ATOM 699 C GLN A 212 44.310 -11.076 -9.135 1.00 1.00 C ATOM 700 O GLN A 212 44.512 -10.834 -7.944 1.00 1.00 O ATOM 701 CB GLN A 212 45.623 -13.123 -9.715 1.00 1.00 C ATOM 702 CG GLN A 212 44.293 -13.866 -9.840 1.00 1.00 C ATOM 703 CD GLN A 212 44.529 -15.369 -9.768 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.224 -15.848 -8.872 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.993 -16.143 -10.669 1.00 1.00 N ATOM 0 H GLN A 212 46.839 -10.681 -8.798 1.00 1.00 H new ATOM 0 HA GLN A 212 45.137 -11.519 -11.060 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.352 -13.545 -10.407 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.027 -13.249 -8.710 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.618 -13.557 -9.042 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.811 -13.610 -10.783 1.00 1.00 H new ATOM 0 HE21 GLN A 212 43.418 -15.741 -11.409 1.00 1.00 H new ATOM 0 HE22 GLN A 212 44.149 -17.150 -10.634 1.00 1.00 H new ATOM 714 N ASP A 213 43.132 -10.887 -9.723 1.00 1.00 N ATOM 715 CA ASP A 213 41.988 -10.368 -8.982 1.00 1.00 C ATOM 716 C ASP A 213 41.213 -11.517 -8.353 1.00 1.00 C ATOM 717 O ASP A 213 41.349 -12.672 -8.760 1.00 1.00 O ATOM 718 CB ASP A 213 41.064 -9.594 -9.919 1.00 1.00 C ATOM 719 CG ASP A 213 40.069 -8.767 -9.112 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.454 -8.266 -8.067 1.00 1.00 O ATOM 721 OD2 ASP A 213 38.937 -8.648 -9.549 1.00 1.00 O ATOM 0 H ASP A 213 42.946 -11.085 -10.706 1.00 1.00 H new ATOM 0 HA ASP A 213 42.352 -9.702 -8.200 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.652 -8.941 -10.564 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.530 -10.287 -10.569 1.00 1.00 H new ATOM 726 N LYS A 214 40.405 -11.181 -7.364 1.00 1.00 N ATOM 727 CA LYS A 214 39.596 -12.177 -6.665 1.00 1.00 C ATOM 728 C LYS A 214 38.545 -12.759 -7.605 1.00 1.00 C ATOM 729 O LYS A 214 37.855 -13.722 -7.262 1.00 1.00 O ATOM 730 CB LYS A 214 38.902 -11.545 -5.457 1.00 1.00 C ATOM 731 CG LYS A 214 39.873 -10.618 -4.715 1.00 1.00 C ATOM 732 CD LYS A 214 41.094 -11.409 -4.246 1.00 1.00 C ATOM 733 CE LYS A 214 41.976 -10.514 -3.383 1.00 1.00 C ATOM 734 NZ LYS A 214 43.075 -11.331 -2.801 1.00 1.00 N ATOM 0 H LYS A 214 40.288 -10.227 -7.023 1.00 1.00 H new ATOM 0 HA LYS A 214 40.255 -12.975 -6.324 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.028 -10.982 -5.784 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.546 -12.325 -4.784 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.186 -9.805 -5.371 1.00 1.00 H new ATOM 0 HG3 LYS A 214 39.373 -10.163 -3.860 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.778 -12.284 -3.678 1.00 1.00 H new ATOM 0 HD3 LYS A 214 41.657 -11.773 -5.105 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.388 -9.702 -3.982 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.386 -10.057 -2.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 43.031 -11.283 -1.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 42.972 -12.320 -3.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 43.991 -10.962 -3.126 1.00 1.00 H new ATOM 748 N ASN A 215 38.414 -12.160 -8.787 1.00 1.00 N ATOM 749 CA ASN A 215 37.432 -12.617 -9.770 1.00 1.00 C ATOM 750 C ASN A 215 38.055 -13.628 -10.726 1.00 1.00 C ATOM 751 O ASN A 215 37.368 -14.192 -11.577 1.00 1.00 O ATOM 752 CB ASN A 215 36.900 -11.423 -10.563 1.00 1.00 C ATOM 753 CG ASN A 215 36.164 -10.468 -9.627 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.687 -10.912 -8.494 1.00 1.00 O flip ATOM 755 ND2 ASN A 215 36.022 -9.285 -9.934 1.00 1.00 N flip ATOM 0 H ASN A 215 38.972 -11.361 -9.087 1.00 1.00 H new ATOM 0 HA ASN A 215 36.611 -13.099 -9.239 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.724 -10.904 -11.053 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.228 -11.767 -11.349 1.00 1.00 H new ATOM 0 HD21 ASN A 215 36.395 -8.939 -10.818 1.00 1.00 H new ATOM 0 HD22 ASN A 215 35.532 -8.650 -9.304 1.00 1.00 H new ATOM 762 N GLY A 216 39.358 -13.856 -10.581 1.00 1.00 N ATOM 763 CA GLY A 216 40.064 -14.804 -11.440 1.00 1.00 C ATOM 764 C GLY A 216 40.663 -14.106 -12.656 1.00 1.00 C ATOM 765 O GLY A 216 40.966 -14.750 -13.660 1.00 1.00 O ATOM 0 H GLY A 216 39.944 -13.401 -9.881 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.855 -15.294 -10.872 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.377 -15.584 -11.767 1.00 1.00 H new ATOM 769 N HIS A 217 40.829 -12.786 -12.567 1.00 1.00 N ATOM 770 CA HIS A 217 41.396 -12.014 -13.671 1.00 1.00 C ATOM 771 C HIS A 217 42.867 -11.734 -13.406 1.00 1.00 C ATOM 772 O HIS A 217 43.230 -11.262 -12.332 1.00 1.00 O ATOM 773 CB HIS A 217 40.645 -10.690 -13.815 1.00 1.00 C ATOM 774 CG HIS A 217 39.209 -10.965 -14.144 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.247 -9.971 -14.133 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.555 -12.119 -14.496 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.075 -10.538 -14.469 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.205 -11.847 -14.701 1.00 1.00 N ATOM 0 H HIS A 217 40.580 -12.233 -11.747 1.00 1.00 H new ATOM 0 HA HIS A 217 41.299 -12.589 -14.592 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.714 -10.118 -12.890 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.100 -10.085 -14.599 1.00 1.00 H new ATOM 0 HD2 HIS A 217 39.017 -13.090 -14.598 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.141 -10.000 -14.542 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.474 -12.505 -14.970 1.00 1.00 H new ATOM 786 N GLU A 218 43.703 -12.047 -14.390 1.00 1.00 N ATOM 787 CA GLU A 218 45.151 -11.850 -14.276 1.00 1.00 C ATOM 788 C GLU A 218 45.673 -10.929 -15.374 1.00 1.00 C ATOM 789 O GLU A 218 45.118 -10.871 -16.472 1.00 1.00 O ATOM 790 CB GLU A 218 45.857 -13.203 -14.362 1.00 1.00 C ATOM 791 CG GLU A 218 45.335 -14.003 -15.567 1.00 1.00 C ATOM 792 CD GLU A 218 45.834 -13.377 -16.862 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.966 -12.921 -16.875 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.075 -13.347 -17.816 1.00 1.00 O ATOM 0 H GLU A 218 43.404 -12.441 -15.282 1.00 1.00 H new ATOM 0 HA GLU A 218 45.358 -11.382 -13.314 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.933 -13.054 -14.455 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.691 -13.766 -13.444 1.00 1.00 H new ATOM 0 HG2 GLU A 218 45.671 -15.038 -15.500 1.00 1.00 H new ATOM 0 HG3 GLU A 218 44.245 -14.021 -15.558 1.00 1.00 H new ATOM 801 N GLY A 219 46.759 -10.222 -15.075 1.00 1.00 N ATOM 802 CA GLY A 219 47.366 -9.323 -16.044 1.00 1.00 C ATOM 803 C GLY A 219 48.521 -8.556 -15.414 1.00 1.00 C ATOM 804 O GLY A 219 48.583 -8.396 -14.194 1.00 1.00 O ATOM 0 H GLY A 219 47.233 -10.256 -14.173 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.725 -9.893 -16.901 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.618 -8.623 -16.417 1.00 1.00 H new ATOM 808 N TYR A 220 49.446 -8.090 -16.250 1.00 1.00 N ATOM 809 CA TYR A 220 50.600 -7.357 -15.758 1.00 1.00 C ATOM 810 C TYR A 220 50.167 -6.043 -15.151 1.00 1.00 C ATOM 811 O TYR A 220 49.291 -5.363 -15.688 1.00 1.00 O ATOM 812 CB TYR A 220 51.565 -7.078 -16.912 1.00 1.00 C ATOM 813 CG TYR A 220 52.069 -8.389 -17.471 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.910 -9.196 -16.698 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.691 -8.800 -18.758 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.377 -10.412 -17.210 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.158 -10.016 -19.268 1.00 1.00 C ATOM 818 CZ TYR A 220 53.002 -10.821 -18.496 1.00 1.00 C ATOM 819 OH TYR A 220 53.463 -12.021 -19.000 1.00 1.00 O ATOM 0 H TYR A 220 49.416 -8.208 -17.263 1.00 1.00 H new ATOM 0 HA TYR A 220 51.096 -7.960 -14.997 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.062 -6.507 -17.692 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.402 -6.473 -16.563 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.199 -8.881 -15.706 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.040 -8.178 -19.355 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.027 -11.035 -16.613 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.867 -10.333 -20.258 1.00 1.00 H new ATOM 0 HH TYR A 220 53.108 -12.154 -19.904 1.00 1.00 H new ATOM 829 N ALA A 221 50.776 -5.688 -14.020 1.00 1.00 N ATOM 830 CA ALA A 221 50.438 -4.439 -13.344 1.00 1.00 C ATOM 831 C ALA A 221 51.712 -3.670 -12.952 1.00 1.00 C ATOM 832 O ALA A 221 52.567 -4.209 -12.245 1.00 1.00 O ATOM 833 CB ALA A 221 49.622 -4.729 -12.092 1.00 1.00 C ATOM 0 H ALA A 221 51.498 -6.241 -13.558 1.00 1.00 H new ATOM 0 HA ALA A 221 49.853 -3.828 -14.031 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.374 -3.792 -11.594 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.704 -5.247 -12.368 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.203 -5.356 -11.416 1.00 1.00 H new ATOM 839 N PRO A 222 51.858 -2.431 -13.371 1.00 1.00 N ATOM 840 CA PRO A 222 53.057 -1.616 -13.021 1.00 1.00 C ATOM 841 C PRO A 222 53.380 -1.679 -11.523 1.00 1.00 C ATOM 842 O PRO A 222 52.610 -1.202 -10.695 1.00 1.00 O ATOM 843 CB PRO A 222 52.650 -0.187 -13.432 1.00 1.00 C ATOM 844 CG PRO A 222 51.601 -0.344 -14.486 1.00 1.00 C ATOM 845 CD PRO A 222 50.913 -1.680 -14.217 1.00 1.00 C ATOM 0 HA PRO A 222 53.958 -1.973 -13.521 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.265 0.370 -12.578 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.507 0.368 -13.814 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.885 0.476 -14.445 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.046 -0.330 -15.481 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.958 -1.538 -13.712 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.706 -2.212 -15.146 1.00 1.00 H new ATOM 853 N SER A 223 54.531 -2.256 -11.201 1.00 1.00 N ATOM 854 CA SER A 223 54.978 -2.377 -9.812 1.00 1.00 C ATOM 855 C SER A 223 55.295 -1.004 -9.223 1.00 1.00 C ATOM 856 O SER A 223 55.468 -0.857 -8.015 1.00 1.00 O ATOM 857 CB SER A 223 56.227 -3.249 -9.736 1.00 1.00 C ATOM 858 OG SER A 223 57.282 -2.618 -10.450 1.00 1.00 O ATOM 0 H SER A 223 55.177 -2.651 -11.884 1.00 1.00 H new ATOM 0 HA SER A 223 54.172 -2.835 -9.239 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.516 -3.401 -8.696 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.024 -4.233 -10.158 1.00 1.00 H new ATOM 0 HG SER A 223 58.088 -3.174 -10.402 1.00 1.00 H new ATOM 864 N SER A 224 55.354 -0.007 -10.090 1.00 1.00 N ATOM 865 CA SER A 224 55.635 1.364 -9.657 1.00 1.00 C ATOM 866 C SER A 224 54.378 2.064 -9.139 1.00 1.00 C ATOM 867 O SER A 224 54.441 2.839 -8.186 1.00 1.00 O ATOM 868 CB SER A 224 56.210 2.173 -10.810 1.00 1.00 C ATOM 869 OG SER A 224 56.539 3.475 -10.343 1.00 1.00 O ATOM 0 H SER A 224 55.213 -0.114 -11.095 1.00 1.00 H new ATOM 0 HA SER A 224 56.358 1.303 -8.844 1.00 1.00 H new ATOM 0 HB2 SER A 224 57.097 1.681 -11.210 1.00 1.00 H new ATOM 0 HB3 SER A 224 55.487 2.236 -11.623 1.00 1.00 H new ATOM 0 HG SER A 224 56.912 4.002 -11.080 1.00 1.00 H new ATOM 875 N TYR A 225 53.242 1.799 -9.776 1.00 1.00 N ATOM 876 CA TYR A 225 51.982 2.430 -9.376 1.00 1.00 C ATOM 877 C TYR A 225 51.328 1.659 -8.241 1.00 1.00 C ATOM 878 O TYR A 225 50.136 1.814 -7.979 1.00 1.00 O ATOM 879 CB TYR A 225 51.027 2.482 -10.570 1.00 1.00 C ATOM 880 CG TYR A 225 51.508 3.527 -11.555 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.668 3.303 -12.305 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.791 4.719 -11.714 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.113 4.274 -13.215 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.234 5.688 -12.623 1.00 1.00 C ATOM 885 CZ TYR A 225 52.395 5.466 -13.373 1.00 1.00 C ATOM 886 OH TYR A 225 52.832 6.423 -14.267 1.00 1.00 O ATOM 0 H TYR A 225 53.164 1.158 -10.565 1.00 1.00 H new ATOM 0 HA TYR A 225 52.199 3.441 -9.033 1.00 1.00 H new ATOM 0 HB2 TYR A 225 50.978 1.506 -11.053 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.019 2.721 -10.233 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.221 2.383 -12.183 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.896 4.891 -11.135 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.009 4.102 -13.793 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.680 6.607 -12.745 1.00 1.00 H new ATOM 0 HH TYR A 225 52.219 7.187 -14.254 1.00 1.00 H new ATOM 896 N LEU A 226 52.117 0.839 -7.562 1.00 1.00 N ATOM 897 CA LEU A 226 51.610 0.060 -6.443 1.00 1.00 C ATOM 898 C LEU A 226 52.722 -0.226 -5.442 1.00 1.00 C ATOM 899 O LEU A 226 53.890 0.062 -5.703 1.00 1.00 O ATOM 900 CB LEU A 226 51.010 -1.249 -6.942 1.00 1.00 C ATOM 901 CG LEU A 226 52.066 -2.043 -7.736 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.097 -2.726 -6.796 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.347 -3.084 -8.607 1.00 1.00 C ATOM 0 H LEU A 226 53.106 0.696 -7.765 1.00 1.00 H new ATOM 0 HA LEU A 226 50.833 0.640 -5.944 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.656 -1.841 -6.098 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.145 -1.045 -7.574 1.00 1.00 H new ATOM 0 HG LEU A 226 52.626 -1.354 -8.369 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.825 -3.276 -7.393 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.611 -1.967 -6.206 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.580 -3.415 -6.129 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.083 -3.654 -9.175 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.777 -3.760 -7.970 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.670 -2.578 -9.295 1.00 1.00 H new ATOM 915 N VAL A 227 52.358 -0.803 -4.298 1.00 1.00 N ATOM 916 CA VAL A 227 53.343 -1.137 -3.266 1.00 1.00 C ATOM 917 C VAL A 227 53.018 -2.486 -2.634 1.00 1.00 C ATOM 918 O VAL A 227 51.872 -2.931 -2.656 1.00 1.00 O ATOM 919 CB VAL A 227 53.356 -0.057 -2.193 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.452 -0.366 -1.174 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.633 1.301 -2.842 1.00 1.00 C ATOM 0 H VAL A 227 51.397 -1.048 -4.062 1.00 1.00 H new ATOM 0 HA VAL A 227 54.327 -1.196 -3.732 1.00 1.00 H new ATOM 0 HB VAL A 227 52.389 -0.031 -1.691 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.462 0.407 -0.405 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.257 -1.334 -0.713 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.419 -0.391 -1.676 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.643 2.076 -2.075 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.601 1.274 -3.343 1.00 1.00 H new ATOM 0 HG23 VAL A 227 52.853 1.522 -3.571 1.00 1.00 H new ATOM 931 N GLU A 228 54.035 -3.130 -2.070 1.00 1.00 N ATOM 932 CA GLU A 228 53.847 -4.427 -1.431 1.00 1.00 C ATOM 933 C GLU A 228 52.994 -4.286 -0.182 1.00 1.00 C ATOM 934 O GLU A 228 53.013 -3.250 0.481 1.00 1.00 O ATOM 935 CB GLU A 228 55.198 -5.032 -1.051 1.00 1.00 C ATOM 936 CG GLU A 228 55.938 -5.459 -2.313 1.00 1.00 C ATOM 937 CD GLU A 228 57.326 -5.984 -1.953 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.665 -5.956 -0.780 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.033 -6.406 -2.855 1.00 1.00 O ATOM 0 H GLU A 228 54.992 -2.777 -2.042 1.00 1.00 H new ATOM 0 HA GLU A 228 53.342 -5.084 -2.139 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.791 -4.304 -0.498 1.00 1.00 H new ATOM 0 HB3 GLU A 228 55.052 -5.890 -0.394 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.372 -6.232 -2.833 1.00 1.00 H new ATOM 0 HG3 GLU A 228 56.026 -4.614 -2.996 1.00 1.00 H new ATOM 946 N LYS A 229 52.248 -5.341 0.136 1.00 1.00 N ATOM 947 CA LYS A 229 51.384 -5.342 1.319 1.00 1.00 C ATOM 948 C LYS A 229 51.933 -6.289 2.379 1.00 1.00 C ATOM 949 O LYS A 229 51.815 -6.028 3.578 1.00 1.00 O ATOM 950 CB LYS A 229 49.958 -5.763 0.940 1.00 1.00 C ATOM 951 CG LYS A 229 49.039 -5.568 2.142 1.00 1.00 C ATOM 952 CD LYS A 229 47.599 -5.838 1.718 1.00 1.00 C ATOM 953 CE LYS A 229 46.666 -5.635 2.914 1.00 1.00 C ATOM 954 NZ LYS A 229 45.259 -5.905 2.503 1.00 1.00 N ATOM 0 H LYS A 229 52.223 -6.205 -0.406 1.00 1.00 H new ATOM 0 HA LYS A 229 51.361 -4.331 1.725 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.603 -5.170 0.097 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.946 -6.806 0.624 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.326 -6.243 2.948 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.134 -4.553 2.527 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.317 -5.168 0.906 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.505 -6.856 1.339 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.952 -6.301 3.728 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.756 -4.616 3.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.766 -5.004 2.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 45.255 -6.465 1.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.773 -6.434 3.255 1.00 1.00 H new