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= 0.0282 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 180:sc= -0.0262 USER MOD Single : A 198 TYR OH : rot 133:sc= -0.863 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 66:sc= 1.05 USER MOD Single : A 212 GLN : amide:sc= -0.238 K(o=-0.24,f=-3.5!) USER MOD Single : A 214 LYS NZ :NH3+ -128:sc= -1.64! (180deg=-2.64!) USER MOD Single : A 215 ASN : amide:sc= -0.0562 K(o=-0.056,f=-2!) USER MOD Single : A 217 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=-0.26) 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 97:sc= 0.707 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 146:sc= 0.00963 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.249 -12.662 -2.051 1.00 1.00 N ATOM 66 CA THR A 174 51.792 -11.519 -1.264 1.00 1.00 C ATOM 67 C THR A 174 50.729 -10.749 -2.050 1.00 1.00 C ATOM 68 O THR A 174 50.404 -11.095 -3.186 1.00 1.00 O ATOM 69 CB THR A 174 52.970 -10.572 -0.939 1.00 1.00 C ATOM 70 OG1 THR A 174 52.635 -9.763 0.172 1.00 1.00 O ATOM 71 CG2 THR A 174 53.282 -9.673 -2.138 1.00 1.00 C ATOM 0 HA THR A 174 51.370 -11.889 -0.329 1.00 1.00 H new ATOM 0 HB THR A 174 53.848 -11.176 -0.709 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.383 -9.164 0.378 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.114 -9.013 -1.891 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.550 -10.290 -2.995 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.404 -9.075 -2.382 1.00 1.00 H new ATOM 79 N LEU A 175 50.215 -9.679 -1.446 1.00 1.00 N ATOM 80 CA LEU A 175 49.205 -8.837 -2.095 1.00 1.00 C ATOM 81 C LEU A 175 49.782 -7.446 -2.323 1.00 1.00 C ATOM 82 O LEU A 175 50.657 -6.997 -1.581 1.00 1.00 O ATOM 83 CB LEU A 175 47.945 -8.737 -1.226 1.00 1.00 C ATOM 84 CG LEU A 175 47.646 -10.090 -0.590 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.462 -9.956 0.373 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.315 -11.100 -1.687 1.00 1.00 C ATOM 0 H LEU A 175 50.479 -9.373 -0.510 1.00 1.00 H new ATOM 0 HA LEU A 175 48.932 -9.286 -3.050 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.086 -7.984 -0.451 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.099 -8.415 -1.833 1.00 1.00 H new ATOM 0 HG LEU A 175 48.518 -10.435 -0.033 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.250 -10.924 0.826 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.708 -9.236 1.154 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.585 -9.612 -0.175 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.101 -12.069 -1.237 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.443 -10.758 -2.245 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.165 -11.194 -2.363 1.00 1.00 H new ATOM 98 N VAL A 176 49.287 -6.761 -3.349 1.00 1.00 N ATOM 99 CA VAL A 176 49.760 -5.413 -3.674 1.00 1.00 C ATOM 100 C VAL A 176 48.588 -4.456 -3.706 1.00 1.00 C ATOM 101 O VAL A 176 47.450 -4.885 -3.838 1.00 1.00 O ATOM 102 CB VAL A 176 50.450 -5.414 -5.036 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.700 -6.284 -4.960 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.505 -5.982 -6.099 1.00 1.00 C ATOM 0 H VAL A 176 48.559 -7.113 -3.971 1.00 1.00 H new ATOM 0 HA VAL A 176 50.471 -5.095 -2.912 1.00 1.00 H new ATOM 0 HB VAL A 176 50.720 -4.393 -5.305 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.199 -6.290 -5.929 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.377 -5.883 -4.206 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.419 -7.302 -4.690 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.004 -5.980 -7.068 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.231 -7.003 -5.834 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.606 -5.368 -6.152 1.00 1.00 H new ATOM 114 N ILE A 177 48.872 -3.157 -3.581 1.00 1.00 N ATOM 115 CA ILE A 177 47.820 -2.139 -3.593 1.00 1.00 C ATOM 116 C ILE A 177 48.085 -1.122 -4.699 1.00 1.00 C ATOM 117 O ILE A 177 49.178 -0.569 -4.797 1.00 1.00 O ATOM 118 CB ILE A 177 47.784 -1.423 -2.239 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.683 -2.473 -1.123 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.562 -0.493 -2.178 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.406 -1.786 0.217 1.00 1.00 C ATOM 0 H ILE A 177 49.816 -2.787 -3.471 1.00 1.00 H new ATOM 0 HA ILE A 177 46.861 -2.623 -3.777 1.00 1.00 H new ATOM 0 HB ILE A 177 48.691 -0.832 -2.112 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.886 -3.181 -1.350 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.610 -3.044 -1.064 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.539 0.015 -1.214 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.627 0.246 -2.976 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.652 -1.080 -2.301 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.336 -2.537 1.003 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.218 -1.095 0.446 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.467 -1.235 0.156 1.00 1.00 H new ATOM 133 N ALA A 178 47.067 -0.878 -5.517 1.00 1.00 N ATOM 134 CA ALA A 178 47.188 0.080 -6.612 1.00 1.00 C ATOM 135 C ALA A 178 47.108 1.513 -6.082 1.00 1.00 C ATOM 136 O ALA A 178 46.071 1.941 -5.578 1.00 1.00 O ATOM 137 CB ALA A 178 46.075 -0.167 -7.649 1.00 1.00 C ATOM 0 H ALA A 178 46.154 -1.327 -5.444 1.00 1.00 H new ATOM 0 HA ALA A 178 48.158 -0.056 -7.091 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.171 0.551 -8.463 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.164 -1.179 -8.045 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.102 -0.048 -7.173 1.00 1.00 H new ATOM 143 N LEU A 179 48.205 2.248 -6.204 1.00 1.00 N ATOM 144 CA LEU A 179 48.241 3.627 -5.737 1.00 1.00 C ATOM 145 C LEU A 179 47.246 4.476 -6.511 1.00 1.00 C ATOM 146 O LEU A 179 46.550 5.311 -5.935 1.00 1.00 O ATOM 147 CB LEU A 179 49.648 4.198 -5.912 1.00 1.00 C ATOM 148 CG LEU A 179 50.606 3.509 -4.927 1.00 1.00 C ATOM 149 CD1 LEU A 179 52.051 3.866 -5.294 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.313 3.954 -3.475 1.00 1.00 C ATOM 0 H LEU A 179 49.075 1.916 -6.619 1.00 1.00 H new ATOM 0 HA LEU A 179 47.971 3.643 -4.681 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.990 4.045 -6.936 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.640 5.274 -5.736 1.00 1.00 H new ATOM 0 HG LEU A 179 50.461 2.431 -4.992 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.734 3.379 -4.598 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.263 3.527 -6.308 1.00 1.00 H new ATOM 0 HD13 LEU A 179 52.184 4.946 -5.238 1.00 1.00 H new ATOM 0 HD21 LEU A 179 51.003 3.454 -2.795 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.441 5.033 -3.392 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.289 3.689 -3.213 1.00 1.00 H new ATOM 162 N TYR A 180 47.180 4.259 -7.822 1.00 1.00 N ATOM 163 CA TYR A 180 46.262 5.013 -8.680 1.00 1.00 C ATOM 164 C TYR A 180 45.444 4.062 -9.543 1.00 1.00 C ATOM 165 O TYR A 180 45.862 2.935 -9.811 1.00 1.00 O ATOM 166 CB TYR A 180 47.051 5.970 -9.574 1.00 1.00 C ATOM 167 CG TYR A 180 47.874 6.898 -8.710 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.262 7.978 -8.062 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.248 6.680 -8.556 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.024 8.839 -7.261 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.010 7.540 -7.758 1.00 1.00 C ATOM 172 CZ TYR A 180 49.399 8.620 -7.110 1.00 1.00 C ATOM 173 OH TYR A 180 50.151 9.468 -6.323 1.00 1.00 O ATOM 0 H TYR A 180 47.748 3.570 -8.315 1.00 1.00 H new ATOM 0 HA TYR A 180 45.585 5.587 -8.047 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.701 5.407 -10.244 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.370 6.546 -10.200 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.202 8.147 -8.180 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.721 5.846 -9.054 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.551 9.671 -6.760 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.070 7.371 -7.642 1.00 1.00 H new ATOM 0 HH TYR A 180 51.086 9.173 -6.325 1.00 1.00 H new ATOM 183 N ASP A 181 44.275 4.522 -9.975 1.00 1.00 N ATOM 184 CA ASP A 181 43.407 3.699 -10.803 1.00 1.00 C ATOM 185 C ASP A 181 44.009 3.534 -12.191 1.00 1.00 C ATOM 186 O ASP A 181 43.823 4.381 -13.064 1.00 1.00 O ATOM 187 CB ASP A 181 42.029 4.355 -10.922 1.00 1.00 C ATOM 188 CG ASP A 181 42.166 5.753 -11.521 1.00 1.00 C ATOM 189 OD1 ASP A 181 43.290 6.204 -11.675 1.00 1.00 O ATOM 190 OD2 ASP A 181 41.145 6.352 -11.817 1.00 1.00 O ATOM 0 H ASP A 181 43.911 5.452 -9.767 1.00 1.00 H new ATOM 0 HA ASP A 181 43.305 2.719 -10.338 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.379 3.744 -11.549 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.560 4.416 -9.940 1.00 1.00 H new ATOM 195 N TYR A 182 44.731 2.434 -12.393 1.00 1.00 N ATOM 196 CA TYR A 182 45.358 2.167 -13.686 1.00 1.00 C ATOM 197 C TYR A 182 44.517 1.178 -14.483 1.00 1.00 C ATOM 198 O TYR A 182 44.604 -0.033 -14.274 1.00 1.00 O ATOM 199 CB TYR A 182 46.756 1.577 -13.473 1.00 1.00 C ATOM 200 CG TYR A 182 47.513 1.595 -14.776 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.361 0.547 -15.688 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.363 2.665 -15.071 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.065 0.570 -16.896 1.00 1.00 C ATOM 204 CE2 TYR A 182 49.066 2.688 -16.280 1.00 1.00 C ATOM 205 CZ TYR A 182 48.918 1.639 -17.193 1.00 1.00 C ATOM 206 OH TYR A 182 49.609 1.661 -18.387 1.00 1.00 O ATOM 0 H TYR A 182 44.896 1.719 -11.685 1.00 1.00 H new ATOM 0 HA TYR A 182 45.434 3.104 -14.237 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.294 2.152 -12.720 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.678 0.556 -13.099 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.702 -0.278 -15.461 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.477 3.474 -14.365 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.950 -0.239 -17.602 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.722 3.515 -16.508 1.00 1.00 H new ATOM 0 HH TYR A 182 50.155 2.474 -18.434 1.00 1.00 H new ATOM 319 N LEU A 190 46.087 -6.394 -16.203 1.00 1.00 N ATOM 320 CA LEU A 190 44.994 -6.547 -15.243 1.00 1.00 C ATOM 321 C LEU A 190 44.535 -5.182 -14.741 1.00 1.00 C ATOM 322 O LEU A 190 45.339 -4.383 -14.262 1.00 1.00 O ATOM 323 CB LEU A 190 45.454 -7.402 -14.054 1.00 1.00 C ATOM 324 CG LEU A 190 44.249 -7.754 -13.171 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.269 -8.673 -13.936 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.739 -8.471 -11.911 1.00 1.00 C ATOM 0 HA LEU A 190 44.161 -7.041 -15.743 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.932 -8.313 -14.413 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.198 -6.860 -13.471 1.00 1.00 H new ATOM 0 HG LEU A 190 43.729 -6.835 -12.899 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.420 -8.913 -13.296 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.915 -8.162 -14.831 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.780 -9.593 -14.221 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.886 -8.723 -11.281 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.264 -9.384 -12.193 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.416 -7.818 -11.361 1.00 1.00 H new ATOM 338 N ALA A 191 43.234 -4.923 -14.855 1.00 1.00 N ATOM 339 CA ALA A 191 42.678 -3.648 -14.411 1.00 1.00 C ATOM 340 C ALA A 191 42.940 -3.456 -12.926 1.00 1.00 C ATOM 341 O ALA A 191 42.729 -4.370 -12.127 1.00 1.00 O ATOM 342 CB ALA A 191 41.173 -3.622 -14.666 1.00 1.00 C ATOM 0 H ALA A 191 42.552 -5.572 -15.247 1.00 1.00 H new ATOM 0 HA ALA A 191 43.155 -2.843 -14.969 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.764 -2.668 -14.333 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.982 -3.746 -15.732 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.697 -4.433 -14.116 1.00 1.00 H new ATOM 348 N LEU A 192 43.409 -2.263 -12.561 1.00 1.00 N ATOM 349 CA LEU A 192 43.719 -1.950 -11.164 1.00 1.00 C ATOM 350 C LEU A 192 42.849 -0.803 -10.674 1.00 1.00 C ATOM 351 O LEU A 192 42.473 0.078 -11.449 1.00 1.00 O ATOM 352 CB LEU A 192 45.182 -1.543 -11.041 1.00 1.00 C ATOM 353 CG LEU A 192 46.063 -2.537 -11.811 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.535 -2.096 -11.737 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.904 -3.949 -11.213 1.00 1.00 C ATOM 0 H LEU A 192 43.583 -1.497 -13.212 1.00 1.00 H new ATOM 0 HA LEU A 192 43.525 -2.836 -10.560 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.324 -0.536 -11.434 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.476 -1.519 -9.992 1.00 1.00 H new ATOM 0 HG LEU A 192 45.751 -2.557 -12.855 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.155 -2.805 -12.285 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.641 -1.105 -12.178 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.854 -2.065 -10.695 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.531 -4.650 -11.763 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.206 -3.937 -10.166 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.862 -4.260 -11.286 1.00 1.00 H new ATOM 367 N ARG A 193 42.533 -0.817 -9.381 1.00 1.00 N ATOM 368 CA ARG A 193 41.692 0.225 -8.778 1.00 1.00 C ATOM 369 C ARG A 193 42.401 0.823 -7.572 1.00 1.00 C ATOM 370 O ARG A 193 43.062 0.117 -6.814 1.00 1.00 O ATOM 371 CB ARG A 193 40.314 -0.360 -8.363 1.00 1.00 C ATOM 372 CG ARG A 193 40.132 -1.731 -8.991 1.00 1.00 C ATOM 373 CD ARG A 193 38.680 -2.177 -8.839 1.00 1.00 C ATOM 374 NE ARG A 193 38.525 -3.554 -9.288 1.00 1.00 N ATOM 375 CZ ARG A 193 37.323 -4.057 -9.544 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.263 -3.312 -9.400 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.204 -5.295 -9.939 1.00 1.00 N ATOM 0 H ARG A 193 42.844 -1.536 -8.728 1.00 1.00 H new ATOM 0 HA ARG A 193 41.520 1.011 -9.514 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.252 -0.435 -7.277 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.513 0.307 -8.683 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.404 -1.698 -10.046 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.796 -2.452 -8.513 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.373 -2.090 -7.797 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.029 -1.523 -9.419 1.00 1.00 H new ATOM 0 HE ARG A 193 39.351 -4.140 -9.407 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.358 -2.344 -9.091 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.339 -3.697 -9.596 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.034 -5.877 -10.051 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.281 -5.681 -10.136 1.00 1.00 H new ATOM 391 N CYS A 194 42.256 2.127 -7.405 1.00 1.00 N ATOM 392 CA CYS A 194 42.892 2.812 -6.292 1.00 1.00 C ATOM 393 C CYS A 194 42.321 2.332 -4.970 1.00 1.00 C ATOM 394 O CYS A 194 41.105 2.248 -4.813 1.00 1.00 O ATOM 395 CB CYS A 194 42.653 4.322 -6.406 1.00 1.00 C ATOM 396 SG CYS A 194 43.118 5.139 -4.853 1.00 1.00 S ATOM 0 H CYS A 194 41.708 2.728 -8.020 1.00 1.00 H new ATOM 0 HA CYS A 194 43.960 2.595 -6.326 1.00 1.00 H new ATOM 0 HB2 CYS A 194 43.237 4.730 -7.231 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.604 4.517 -6.630 1.00 1.00 H new ATOM 0 HG CYS A 194 42.915 6.419 -4.958 1.00 1.00 H new ATOM 402 N ASP A 195 43.216 2.014 -4.036 1.00 1.00 N ATOM 403 CA ASP A 195 42.818 1.534 -2.708 1.00 1.00 C ATOM 404 C ASP A 195 42.597 0.028 -2.721 1.00 1.00 C ATOM 405 O ASP A 195 42.721 -0.633 -1.690 1.00 1.00 O ATOM 406 CB ASP A 195 41.522 2.245 -2.250 1.00 1.00 C ATOM 407 CG ASP A 195 41.460 2.339 -0.731 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.004 3.291 -0.195 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.861 1.466 -0.127 1.00 1.00 O ATOM 0 H ASP A 195 44.225 2.079 -4.172 1.00 1.00 H new ATOM 0 HA ASP A 195 43.623 1.763 -2.009 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.479 3.245 -2.682 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.654 1.700 -2.620 1.00 1.00 H new ATOM 414 N GLU A 196 42.266 -0.521 -3.890 1.00 1.00 N ATOM 415 CA GLU A 196 42.029 -1.942 -4.011 1.00 1.00 C ATOM 416 C GLU A 196 43.346 -2.706 -3.961 1.00 1.00 C ATOM 417 O GLU A 196 44.420 -2.129 -4.126 1.00 1.00 O ATOM 418 CB GLU A 196 41.295 -2.232 -5.335 1.00 1.00 C ATOM 419 CG GLU A 196 41.229 -3.740 -5.563 1.00 1.00 C ATOM 420 CD GLU A 196 40.179 -4.079 -6.611 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.019 -3.805 -6.361 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.549 -4.613 -7.643 1.00 1.00 O ATOM 0 H GLU A 196 42.159 0.003 -4.759 1.00 1.00 H new ATOM 0 HA GLU A 196 41.409 -2.271 -3.177 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.289 -1.814 -5.304 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.815 -1.751 -6.164 1.00 1.00 H new ATOM 0 HG2 GLU A 196 42.203 -4.107 -5.885 1.00 1.00 H new ATOM 0 HG3 GLU A 196 40.992 -4.245 -4.626 1.00 1.00 H new ATOM 429 N GLU A 197 43.252 -4.020 -3.745 1.00 1.00 N ATOM 430 CA GLU A 197 44.428 -4.878 -3.693 1.00 1.00 C ATOM 431 C GLU A 197 44.259 -6.058 -4.641 1.00 1.00 C ATOM 432 O GLU A 197 43.153 -6.362 -5.091 1.00 1.00 O ATOM 433 CB GLU A 197 44.653 -5.382 -2.265 1.00 1.00 C ATOM 434 CG GLU A 197 43.313 -5.741 -1.643 1.00 1.00 C ATOM 435 CD GLU A 197 43.528 -6.565 -0.380 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.494 -7.310 -0.340 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.727 -6.439 0.529 1.00 1.00 O ATOM 0 H GLU A 197 42.369 -4.510 -3.603 1.00 1.00 H new ATOM 0 HA GLU A 197 45.297 -4.298 -4.002 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.308 -6.253 -2.273 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.149 -4.615 -1.670 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.759 -4.833 -1.405 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.711 -6.304 -2.356 1.00 1.00 H new ATOM 444 N TYR A 198 45.373 -6.708 -4.950 1.00 1.00 N ATOM 445 CA TYR A 198 45.373 -7.858 -5.857 1.00 1.00 C ATOM 446 C TYR A 198 46.299 -8.951 -5.335 1.00 1.00 C ATOM 447 O TYR A 198 47.056 -8.740 -4.388 1.00 1.00 O ATOM 448 CB TYR A 198 45.838 -7.426 -7.244 1.00 1.00 C ATOM 449 CG TYR A 198 44.781 -6.554 -7.880 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.622 -5.227 -7.463 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.964 -7.071 -8.890 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.643 -4.419 -8.055 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.986 -6.261 -9.482 1.00 1.00 C ATOM 454 CZ TYR A 198 42.826 -4.939 -9.066 1.00 1.00 C ATOM 455 OH TYR A 198 41.856 -4.150 -9.648 1.00 1.00 O ATOM 0 H TYR A 198 46.293 -6.461 -4.587 1.00 1.00 H new ATOM 0 HA TYR A 198 44.357 -8.249 -5.915 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.779 -6.881 -7.170 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.025 -8.302 -7.866 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.254 -4.826 -6.685 1.00 1.00 H new ATOM 0 HD2 TYR A 198 44.087 -8.094 -9.214 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.519 -3.396 -7.732 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.355 -6.661 -10.262 1.00 1.00 H new ATOM 0 HH TYR A 198 41.901 -4.242 -10.623 1.00 1.00 H new ATOM 465 N TYR A 199 46.225 -10.118 -5.961 1.00 1.00 N ATOM 466 CA TYR A 199 47.052 -11.265 -5.569 1.00 1.00 C ATOM 467 C TYR A 199 48.326 -11.303 -6.385 1.00 1.00 C ATOM 468 O TYR A 199 48.283 -11.395 -7.605 1.00 1.00 O ATOM 469 CB TYR A 199 46.263 -12.584 -5.780 1.00 1.00 C ATOM 470 CG TYR A 199 45.903 -13.184 -4.447 1.00 1.00 C ATOM 471 CD1 TYR A 199 46.912 -13.712 -3.638 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.575 -13.198 -4.021 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.597 -14.260 -2.394 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.249 -13.744 -2.780 1.00 1.00 C ATOM 475 CZ TYR A 199 45.261 -14.276 -1.960 1.00 1.00 C ATOM 476 OH TYR A 199 44.944 -14.810 -0.727 1.00 1.00 O ATOM 0 H TYR A 199 45.600 -10.301 -6.746 1.00 1.00 H new ATOM 0 HA TYR A 199 47.310 -11.160 -4.515 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.359 -12.389 -6.357 1.00 1.00 H new ATOM 0 HB3 TYR A 199 46.863 -13.289 -6.356 1.00 1.00 H new ATOM 0 HD1 TYR A 199 47.938 -13.696 -3.976 1.00 1.00 H new ATOM 0 HD2 TYR A 199 43.800 -12.787 -4.651 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.376 -14.670 -1.768 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.221 -13.758 -2.449 1.00 1.00 H new ATOM 0 HH TYR A 199 43.978 -14.742 -0.580 1.00 1.00 H new ATOM 486 N LEU A 200 49.461 -11.239 -5.698 1.00 1.00 N ATOM 487 CA LEU A 200 50.742 -11.267 -6.385 1.00 1.00 C ATOM 488 C LEU A 200 51.148 -12.701 -6.687 1.00 1.00 C ATOM 489 O LEU A 200 51.196 -13.547 -5.789 1.00 1.00 O ATOM 490 CB LEU A 200 51.823 -10.608 -5.513 1.00 1.00 C ATOM 491 CG LEU A 200 53.026 -10.165 -6.376 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.592 -9.089 -7.384 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.113 -9.591 -5.463 1.00 1.00 C ATOM 0 H LEU A 200 49.519 -11.169 -4.682 1.00 1.00 H new ATOM 0 HA LEU A 200 50.643 -10.716 -7.320 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.404 -9.746 -4.995 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.157 -11.308 -4.747 1.00 1.00 H new ATOM 0 HG LEU A 200 53.410 -11.027 -6.922 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.450 -8.786 -7.985 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.817 -9.492 -8.035 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.202 -8.224 -6.848 1.00 1.00 H new ATOM 0 HD21 LEU A 200 54.965 -9.276 -6.065 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.716 -8.733 -4.920 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.432 -10.354 -4.753 1.00 1.00 H new ATOM 505 N LEU A 201 51.447 -12.968 -7.952 1.00 1.00 N ATOM 506 CA LEU A 201 51.863 -14.307 -8.372 1.00 1.00 C ATOM 507 C LEU A 201 53.357 -14.349 -8.643 1.00 1.00 C ATOM 508 O LEU A 201 54.104 -15.044 -7.954 1.00 1.00 O ATOM 509 CB LEU A 201 51.104 -14.728 -9.629 1.00 1.00 C ATOM 510 CG LEU A 201 49.579 -14.729 -9.340 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.961 -13.369 -9.716 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.904 -15.844 -10.143 1.00 1.00 C ATOM 0 H LEU A 201 51.411 -12.281 -8.705 1.00 1.00 H new ATOM 0 HA LEU A 201 51.634 -15.000 -7.563 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.329 -14.045 -10.448 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.425 -15.721 -9.945 1.00 1.00 H new ATOM 0 HG LEU A 201 49.422 -14.902 -8.275 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.891 -13.385 -9.508 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.433 -12.580 -9.130 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.121 -13.178 -10.777 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.833 -15.843 -9.938 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.070 -15.678 -11.207 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.327 -16.807 -9.856 1.00 1.00 H new ATOM 524 N ASP A 202 53.796 -13.603 -9.656 1.00 1.00 N ATOM 525 CA ASP A 202 55.212 -13.563 -10.018 1.00 1.00 C ATOM 526 C ASP A 202 55.815 -12.224 -9.620 1.00 1.00 C ATOM 527 O ASP A 202 55.720 -11.245 -10.360 1.00 1.00 O ATOM 528 CB ASP A 202 55.367 -13.765 -11.526 1.00 1.00 C ATOM 529 CG ASP A 202 55.020 -15.204 -11.898 1.00 1.00 C ATOM 530 OD1 ASP A 202 54.886 -16.011 -10.992 1.00 1.00 O ATOM 531 OD2 ASP A 202 54.895 -15.477 -13.079 1.00 1.00 O ATOM 0 H ASP A 202 53.194 -13.020 -10.238 1.00 1.00 H new ATOM 0 HA ASP A 202 55.733 -14.361 -9.490 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.716 -13.075 -12.063 1.00 1.00 H new ATOM 0 HB3 ASP A 202 56.390 -13.539 -11.828 1.00 1.00 H new ATOM 536 N SER A 203 56.437 -12.188 -8.447 1.00 1.00 N ATOM 537 CA SER A 203 57.055 -10.963 -7.954 1.00 1.00 C ATOM 538 C SER A 203 58.487 -10.852 -8.471 1.00 1.00 C ATOM 539 O SER A 203 59.395 -10.455 -7.740 1.00 1.00 O ATOM 540 CB SER A 203 57.059 -10.969 -6.423 1.00 1.00 C ATOM 541 OG SER A 203 58.282 -11.520 -5.949 1.00 1.00 O ATOM 0 H SER A 203 56.527 -12.989 -7.822 1.00 1.00 H new ATOM 0 HA SER A 203 56.482 -10.108 -8.312 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.936 -9.954 -6.045 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.217 -11.552 -6.050 1.00 1.00 H new ATOM 0 HG SER A 203 59.024 -10.928 -6.193 1.00 1.00 H new ATOM 609 N TRP A 208 57.946 -7.761 -15.430 1.00 1.00 N ATOM 610 CA TRP A 208 56.626 -7.269 -15.045 1.00 1.00 C ATOM 611 C TRP A 208 56.049 -8.094 -13.900 1.00 1.00 C ATOM 612 O TRP A 208 56.292 -9.296 -13.799 1.00 1.00 O ATOM 613 CB TRP A 208 55.682 -7.357 -16.248 1.00 1.00 C ATOM 614 CG TRP A 208 55.990 -6.263 -17.213 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.928 -6.325 -18.181 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.370 -4.951 -17.322 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.935 -5.134 -18.874 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.987 -4.249 -18.384 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.343 -4.307 -16.608 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.597 -2.950 -18.724 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.949 -3.004 -16.946 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.572 -2.328 -18.001 1.00 1.00 C ATOM 0 HA TRP A 208 56.726 -6.235 -14.716 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.789 -8.326 -16.736 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.647 -7.281 -15.916 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.569 -7.171 -18.380 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.561 -4.929 -19.652 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.854 -4.820 -15.793 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 56.082 -2.431 -19.537 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.161 -2.520 -16.389 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.262 -1.326 -18.258 1.00 1.00 H new ATOM 633 N TRP A 209 55.275 -7.437 -13.047 1.00 1.00 N ATOM 634 CA TRP A 209 54.656 -8.106 -11.902 1.00 1.00 C ATOM 635 C TRP A 209 53.300 -8.656 -12.290 1.00 1.00 C ATOM 636 O TRP A 209 52.424 -7.940 -12.779 1.00 1.00 O ATOM 637 CB TRP A 209 54.516 -7.107 -10.725 1.00 1.00 C ATOM 638 CG TRP A 209 55.660 -7.237 -9.763 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.890 -7.732 -10.047 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.693 -6.858 -8.362 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.646 -7.725 -8.902 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.963 -7.180 -7.842 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.749 -6.284 -7.496 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.293 -6.935 -6.515 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.076 -6.032 -6.156 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.347 -6.357 -5.668 1.00 1.00 C ATOM 0 H TRP A 209 55.059 -6.443 -13.123 1.00 1.00 H new ATOM 0 HA TRP A 209 55.289 -8.936 -11.588 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.477 -6.089 -11.112 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.576 -7.286 -10.203 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.221 -8.076 -11.016 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.600 -8.081 -8.845 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.765 -6.035 -7.864 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.274 -7.190 -6.142 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.345 -5.586 -5.498 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.595 -6.160 -4.636 1.00 1.00 H new ATOM 657 N ARG A 210 53.143 -9.951 -12.055 1.00 1.00 N ATOM 658 CA ARG A 210 51.902 -10.626 -12.369 1.00 1.00 C ATOM 659 C ARG A 210 50.957 -10.534 -11.189 1.00 1.00 C ATOM 660 O ARG A 210 51.326 -10.866 -10.061 1.00 1.00 O ATOM 661 CB ARG A 210 52.162 -12.097 -12.669 1.00 1.00 C ATOM 662 CG ARG A 210 50.918 -12.713 -13.310 1.00 1.00 C ATOM 663 CD ARG A 210 51.213 -14.158 -13.710 1.00 1.00 C ATOM 664 NE ARG A 210 50.095 -14.705 -14.477 1.00 1.00 N ATOM 665 CZ ARG A 210 50.127 -15.943 -14.961 1.00 1.00 C ATOM 666 NH1 ARG A 210 51.171 -16.696 -14.757 1.00 1.00 N ATOM 667 NH2 ARG A 210 49.112 -16.406 -15.642 1.00 1.00 N ATOM 0 H ARG A 210 53.861 -10.550 -11.648 1.00 1.00 H new ATOM 0 HA ARG A 210 51.460 -10.147 -13.243 1.00 1.00 H new ATOM 0 HB2 ARG A 210 53.017 -12.197 -13.338 1.00 1.00 H new ATOM 0 HB3 ARG A 210 52.412 -12.628 -11.751 1.00 1.00 H new ATOM 0 HG2 ARG A 210 50.082 -12.681 -12.611 1.00 1.00 H new ATOM 0 HG3 ARG A 210 50.623 -12.135 -14.186 1.00 1.00 H new ATOM 0 HD2 ARG A 210 52.126 -14.200 -14.303 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.383 -14.763 -12.819 1.00 1.00 H new ATOM 0 HE ARG A 210 49.273 -14.125 -14.644 1.00 1.00 H new ATOM 0 HH11 ARG A 210 51.964 -16.336 -14.226 1.00 1.00 H new ATOM 0 HH12 ARG A 210 51.195 -17.646 -15.128 1.00 1.00 H new ATOM 0 HH21 ARG A 210 48.295 -15.817 -15.803 1.00 1.00 H new ATOM 0 HH22 ARG A 210 49.137 -17.356 -16.013 1.00 1.00 H new ATOM 681 N VAL A 211 49.738 -10.078 -11.443 1.00 1.00 N ATOM 682 CA VAL A 211 48.744 -9.940 -10.389 1.00 1.00 C ATOM 683 C VAL A 211 47.454 -10.646 -10.787 1.00 1.00 C ATOM 684 O VAL A 211 47.225 -10.916 -11.968 1.00 1.00 O ATOM 685 CB VAL A 211 48.456 -8.467 -10.141 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.642 -7.827 -9.429 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.219 -7.754 -11.476 1.00 1.00 C ATOM 0 H VAL A 211 49.414 -9.798 -12.369 1.00 1.00 H new ATOM 0 HA VAL A 211 49.135 -10.394 -9.478 1.00 1.00 H new ATOM 0 HB VAL A 211 47.565 -8.376 -9.519 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.434 -6.772 -9.252 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.808 -8.329 -8.476 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.533 -7.922 -10.049 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.013 -6.699 -11.294 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.107 -7.848 -12.101 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.368 -8.207 -11.984 1.00 1.00 H new ATOM 697 N GLN A 212 46.598 -10.950 -9.802 1.00 1.00 N ATOM 698 CA GLN A 212 45.334 -11.625 -10.071 1.00 1.00 C ATOM 699 C GLN A 212 44.225 -11.028 -9.214 1.00 1.00 C ATOM 700 O GLN A 212 44.400 -10.817 -8.014 1.00 1.00 O ATOM 701 CB GLN A 212 45.470 -13.119 -9.774 1.00 1.00 C ATOM 702 CG GLN A 212 44.121 -13.809 -9.967 1.00 1.00 C ATOM 703 CD GLN A 212 44.301 -15.324 -9.932 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.419 -15.820 -10.079 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.263 -16.090 -9.743 1.00 1.00 N ATOM 0 H GLN A 212 46.762 -10.738 -8.818 1.00 1.00 H new ATOM 0 HA GLN A 212 45.080 -11.489 -11.122 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.214 -13.564 -10.434 1.00 1.00 H new ATOM 0 HB3 GLN A 212 45.821 -13.266 -8.753 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.429 -13.498 -9.184 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.682 -13.508 -10.918 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.339 -15.676 -9.622 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.375 -17.103 -9.716 1.00 1.00 H new ATOM 714 N ASP A 213 43.075 -10.769 -9.835 1.00 1.00 N ATOM 715 CA ASP A 213 41.937 -10.203 -9.117 1.00 1.00 C ATOM 716 C ASP A 213 41.110 -11.316 -8.494 1.00 1.00 C ATOM 717 O ASP A 213 41.206 -12.478 -8.893 1.00 1.00 O ATOM 718 CB ASP A 213 41.055 -9.403 -10.079 1.00 1.00 C ATOM 719 CG ASP A 213 40.101 -8.507 -9.296 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.132 -8.562 -8.077 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.351 -7.781 -9.926 1.00 1.00 O ATOM 0 H ASP A 213 42.908 -10.941 -10.826 1.00 1.00 H new ATOM 0 HA ASP A 213 42.313 -9.545 -8.334 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.678 -8.797 -10.736 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.488 -10.083 -10.715 1.00 1.00 H new ATOM 726 N LYS A 214 40.301 -10.947 -7.517 1.00 1.00 N ATOM 727 CA LYS A 214 39.444 -11.909 -6.829 1.00 1.00 C ATOM 728 C LYS A 214 38.375 -12.443 -7.775 1.00 1.00 C ATOM 729 O LYS A 214 37.646 -13.380 -7.442 1.00 1.00 O ATOM 730 CB LYS A 214 38.771 -11.250 -5.623 1.00 1.00 C ATOM 731 CG LYS A 214 39.778 -10.370 -4.874 1.00 1.00 C ATOM 732 CD LYS A 214 40.968 -11.213 -4.414 1.00 1.00 C ATOM 733 CE LYS A 214 41.883 -10.363 -3.540 1.00 1.00 C ATOM 734 NZ LYS A 214 42.992 -11.213 -3.025 1.00 1.00 N ATOM 0 H LYS A 214 40.216 -9.989 -7.179 1.00 1.00 H new ATOM 0 HA LYS A 214 40.065 -12.737 -6.489 1.00 1.00 H new ATOM 0 HB2 LYS A 214 37.925 -10.648 -5.953 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.376 -12.015 -4.954 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.122 -9.564 -5.522 1.00 1.00 H new ATOM 0 HG3 LYS A 214 39.297 -9.904 -4.014 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.618 -12.082 -3.856 1.00 1.00 H new ATOM 0 HD3 LYS A 214 41.517 -11.588 -5.277 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.285 -9.529 -4.116 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.320 -9.936 -2.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 43.053 -11.115 -1.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 42.809 -12.207 -3.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 43.889 -10.911 -3.455 1.00 1.00 H new ATOM 748 N ASN A 215 38.272 -11.830 -8.952 1.00 1.00 N ATOM 749 CA ASN A 215 37.276 -12.242 -9.941 1.00 1.00 C ATOM 750 C ASN A 215 37.838 -13.317 -10.863 1.00 1.00 C ATOM 751 O ASN A 215 37.145 -13.806 -11.755 1.00 1.00 O ATOM 752 CB ASN A 215 36.835 -11.034 -10.766 1.00 1.00 C ATOM 753 CG ASN A 215 35.980 -10.106 -9.910 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.477 -10.514 -8.863 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.783 -8.875 -10.295 1.00 1.00 N ATOM 0 H ASN A 215 38.862 -11.051 -9.244 1.00 1.00 H new ATOM 0 HA ASN A 215 36.417 -12.656 -9.412 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.708 -10.498 -11.138 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.269 -11.364 -11.637 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.211 -8.249 -9.728 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.201 -8.539 -11.163 1.00 1.00 H new ATOM 762 N GLY A 216 39.100 -13.683 -10.646 1.00 1.00 N ATOM 763 CA GLY A 216 39.742 -14.705 -11.463 1.00 1.00 C ATOM 764 C GLY A 216 40.409 -14.092 -12.686 1.00 1.00 C ATOM 765 O GLY A 216 40.691 -14.789 -13.661 1.00 1.00 O ATOM 0 H GLY A 216 39.693 -13.289 -9.916 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.485 -15.236 -10.868 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.002 -15.440 -11.779 1.00 1.00 H new ATOM 769 N HIS A 217 40.657 -12.784 -12.639 1.00 1.00 N ATOM 770 CA HIS A 217 41.296 -12.090 -13.756 1.00 1.00 C ATOM 771 C HIS A 217 42.774 -11.889 -13.462 1.00 1.00 C ATOM 772 O HIS A 217 43.143 -11.500 -12.359 1.00 1.00 O ATOM 773 CB HIS A 217 40.627 -10.732 -13.978 1.00 1.00 C ATOM 774 CG HIS A 217 39.221 -10.942 -14.458 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.921 -11.815 -15.491 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.027 -10.396 -14.067 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.591 -11.770 -15.684 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.997 -10.921 -14.842 1.00 1.00 N ATOM 0 H HIS A 217 40.427 -12.187 -11.845 1.00 1.00 H new ATOM 0 HA HIS A 217 41.187 -12.694 -14.657 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.625 -10.159 -13.051 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.190 -10.152 -14.709 1.00 1.00 H new ATOM 0 HD2 HIS A 217 37.904 -9.669 -13.278 1.00 1.00 H new ATOM 0 HE1 HIS A 217 37.067 -12.350 -16.429 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.002 -10.704 -14.780 1.00 1.00 H new ATOM 786 N GLU A 218 43.608 -12.170 -14.457 1.00 1.00 N ATOM 787 CA GLU A 218 45.062 -12.038 -14.311 1.00 1.00 C ATOM 788 C GLU A 218 45.653 -11.178 -15.421 1.00 1.00 C ATOM 789 O GLU A 218 45.151 -11.164 -16.545 1.00 1.00 O ATOM 790 CB GLU A 218 45.705 -13.423 -14.333 1.00 1.00 C ATOM 791 CG GLU A 218 45.106 -14.247 -15.475 1.00 1.00 C ATOM 792 CD GLU A 218 45.782 -15.613 -15.547 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.756 -15.809 -14.840 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.311 -16.447 -16.303 1.00 1.00 O ATOM 0 H GLU A 218 43.306 -12.492 -15.377 1.00 1.00 H new ATOM 0 HA GLU A 218 45.268 -11.549 -13.359 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.783 -13.333 -14.463 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.540 -13.927 -13.381 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.034 -14.371 -15.321 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.233 -13.719 -16.420 1.00 1.00 H new ATOM 801 N GLY A 219 46.738 -10.474 -15.102 1.00 1.00 N ATOM 802 CA GLY A 219 47.401 -9.632 -16.082 1.00 1.00 C ATOM 803 C GLY A 219 48.558 -8.877 -15.444 1.00 1.00 C ATOM 804 O GLY A 219 48.601 -8.698 -14.224 1.00 1.00 O ATOM 0 H GLY A 219 47.170 -10.473 -14.178 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.769 -10.244 -16.906 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.687 -8.925 -16.504 1.00 1.00 H new ATOM 808 N TYR A 220 49.507 -8.436 -16.267 1.00 1.00 N ATOM 809 CA TYR A 220 50.662 -7.709 -15.767 1.00 1.00 C ATOM 810 C TYR A 220 50.254 -6.337 -15.284 1.00 1.00 C ATOM 811 O TYR A 220 49.402 -5.695 -15.886 1.00 1.00 O ATOM 812 CB TYR A 220 51.704 -7.566 -16.878 1.00 1.00 C ATOM 813 CG TYR A 220 52.336 -8.913 -17.147 1.00 1.00 C ATOM 814 CD1 TYR A 220 53.129 -9.520 -16.164 1.00 1.00 C ATOM 815 CD2 TYR A 220 52.131 -9.557 -18.374 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.713 -10.768 -16.408 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.717 -10.805 -18.617 1.00 1.00 C ATOM 818 CZ TYR A 220 53.506 -11.410 -17.634 1.00 1.00 C ATOM 819 OH TYR A 220 54.083 -12.640 -17.874 1.00 1.00 O ATOM 0 H TYR A 220 49.496 -8.571 -17.278 1.00 1.00 H new ATOM 0 HA TYR A 220 51.088 -8.266 -14.933 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.235 -7.184 -17.785 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.468 -6.845 -16.586 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.289 -9.025 -15.218 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.521 -9.090 -19.133 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.324 -11.236 -15.650 1.00 1.00 H new ATOM 0 HE2 TYR A 220 52.560 -11.300 -19.564 1.00 1.00 H new ATOM 0 HH TYR A 220 53.838 -12.946 -18.772 1.00 1.00 H new ATOM 829 N ALA A 221 50.864 -5.886 -14.192 1.00 1.00 N ATOM 830 CA ALA A 221 50.546 -4.572 -13.646 1.00 1.00 C ATOM 831 C ALA A 221 51.824 -3.842 -13.201 1.00 1.00 C ATOM 832 O ALA A 221 52.653 -4.418 -12.495 1.00 1.00 O ATOM 833 CB ALA A 221 49.603 -4.716 -12.454 1.00 1.00 C ATOM 0 H ALA A 221 51.573 -6.404 -13.673 1.00 1.00 H new ATOM 0 HA ALA A 221 50.061 -3.987 -14.428 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.371 -3.730 -12.052 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.682 -5.203 -12.775 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.082 -5.318 -11.682 1.00 1.00 H new ATOM 839 N PRO A 222 51.992 -2.595 -13.574 1.00 1.00 N ATOM 840 CA PRO A 222 53.187 -1.803 -13.168 1.00 1.00 C ATOM 841 C PRO A 222 53.481 -1.931 -11.665 1.00 1.00 C ATOM 842 O PRO A 222 52.681 -1.518 -10.830 1.00 1.00 O ATOM 843 CB PRO A 222 52.789 -0.360 -13.522 1.00 1.00 C ATOM 844 CG PRO A 222 51.778 -0.470 -14.617 1.00 1.00 C ATOM 845 CD PRO A 222 51.075 -1.806 -14.419 1.00 1.00 C ATOM 0 HA PRO A 222 54.096 -2.141 -13.665 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.372 0.154 -12.656 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.656 0.215 -13.847 1.00 1.00 H new ATOM 0 HG2 PRO A 222 51.066 0.354 -14.573 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.258 -0.424 -15.595 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.107 -1.675 -13.936 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.892 -2.301 -15.373 1.00 1.00 H new ATOM 853 N SER A 223 54.643 -2.483 -11.348 1.00 1.00 N ATOM 854 CA SER A 223 55.069 -2.656 -9.957 1.00 1.00 C ATOM 855 C SER A 223 55.399 -1.308 -9.324 1.00 1.00 C ATOM 856 O SER A 223 55.580 -1.205 -8.115 1.00 1.00 O ATOM 857 CB SER A 223 56.296 -3.556 -9.890 1.00 1.00 C ATOM 858 OG SER A 223 57.372 -2.936 -10.578 1.00 1.00 O ATOM 0 H SER A 223 55.315 -2.822 -12.036 1.00 1.00 H new ATOM 0 HA SER A 223 54.249 -3.117 -9.407 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.571 -3.739 -8.851 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.075 -4.526 -10.336 1.00 1.00 H new ATOM 0 HG SER A 223 58.163 -3.512 -10.535 1.00 1.00 H new ATOM 864 N SER A 224 55.473 -0.278 -10.155 1.00 1.00 N ATOM 865 CA SER A 224 55.775 1.069 -9.670 1.00 1.00 C ATOM 866 C SER A 224 54.520 1.788 -9.173 1.00 1.00 C ATOM 867 O SER A 224 54.576 2.554 -8.211 1.00 1.00 O ATOM 868 CB SER A 224 56.414 1.891 -10.784 1.00 1.00 C ATOM 869 OG SER A 224 55.651 1.739 -11.971 1.00 1.00 O ATOM 0 H SER A 224 55.330 -0.344 -11.163 1.00 1.00 H new ATOM 0 HA SER A 224 56.466 0.968 -8.833 1.00 1.00 H new ATOM 0 HB2 SER A 224 56.458 2.942 -10.498 1.00 1.00 H new ATOM 0 HB3 SER A 224 57.440 1.563 -10.952 1.00 1.00 H new ATOM 0 HG SER A 224 55.034 2.495 -12.063 1.00 1.00 H new ATOM 875 N TYR A 225 53.393 1.548 -9.836 1.00 1.00 N ATOM 876 CA TYR A 225 52.140 2.202 -9.456 1.00 1.00 C ATOM 877 C TYR A 225 51.443 1.430 -8.346 1.00 1.00 C ATOM 878 O TYR A 225 50.243 1.590 -8.125 1.00 1.00 O ATOM 879 CB TYR A 225 51.213 2.295 -10.670 1.00 1.00 C ATOM 880 CG TYR A 225 51.741 3.341 -11.629 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.881 3.082 -12.396 1.00 1.00 C ATOM 882 CD2 TYR A 225 51.085 4.572 -11.747 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.368 4.053 -13.282 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.570 5.544 -12.630 1.00 1.00 C ATOM 885 CZ TYR A 225 52.712 5.285 -13.397 1.00 1.00 C ATOM 886 OH TYR A 225 53.191 6.243 -14.267 1.00 1.00 O ATOM 0 H TYR A 225 53.318 0.913 -10.631 1.00 1.00 H new ATOM 0 HA TYR A 225 52.373 3.203 -9.094 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.151 1.328 -11.168 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.204 2.555 -10.351 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.387 2.132 -12.306 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.203 4.772 -11.156 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.248 3.851 -13.875 1.00 1.00 H new ATOM 0 HE2 TYR A 225 51.063 6.494 -12.719 1.00 1.00 H new ATOM 0 HH TYR A 225 52.619 7.038 -14.226 1.00 1.00 H new ATOM 896 N LEU A 226 52.204 0.604 -7.644 1.00 1.00 N ATOM 897 CA LEU A 226 51.657 -0.178 -6.546 1.00 1.00 C ATOM 898 C LEU A 226 52.731 -0.458 -5.504 1.00 1.00 C ATOM 899 O LEU A 226 53.910 -0.176 -5.724 1.00 1.00 O ATOM 900 CB LEU A 226 51.078 -1.488 -7.070 1.00 1.00 C ATOM 901 CG LEU A 226 52.156 -2.269 -7.842 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.174 -2.929 -6.878 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.469 -3.328 -8.719 1.00 1.00 C ATOM 0 H LEU A 226 53.199 0.458 -7.814 1.00 1.00 H new ATOM 0 HA LEU A 226 50.859 0.397 -6.075 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.707 -2.089 -6.240 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.228 -1.285 -7.721 1.00 1.00 H new ATOM 0 HG LEU A 226 52.715 -1.577 -8.472 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.922 -3.473 -7.455 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.664 -2.158 -6.283 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.653 -3.621 -6.216 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.223 -3.888 -9.271 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.900 -4.010 -8.087 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.795 -2.837 -9.421 1.00 1.00 H new ATOM 915 N VAL A 227 52.323 -1.020 -4.370 1.00 1.00 N ATOM 916 CA VAL A 227 53.265 -1.345 -3.292 1.00 1.00 C ATOM 917 C VAL A 227 52.914 -2.685 -2.660 1.00 1.00 C ATOM 918 O VAL A 227 51.776 -3.142 -2.741 1.00 1.00 O ATOM 919 CB VAL A 227 53.244 -0.252 -2.227 1.00 1.00 C ATOM 920 CG1 VAL A 227 53.890 1.014 -2.790 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.796 0.044 -1.839 1.00 1.00 C ATOM 0 H VAL A 227 51.352 -1.261 -4.170 1.00 1.00 H new ATOM 0 HA VAL A 227 54.266 -1.410 -3.720 1.00 1.00 H new ATOM 0 HB VAL A 227 53.797 -0.583 -1.348 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.877 1.797 -2.032 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.921 0.801 -3.074 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.334 1.348 -3.666 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.775 0.824 -1.078 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.245 0.379 -2.718 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.333 -0.860 -1.444 1.00 1.00 H new ATOM 931 N GLU A 228 53.903 -3.307 -2.029 1.00 1.00 N ATOM 932 CA GLU A 228 53.691 -4.596 -1.379 1.00 1.00 C ATOM 933 C GLU A 228 52.828 -4.431 -0.138 1.00 1.00 C ATOM 934 O GLU A 228 52.785 -3.355 0.460 1.00 1.00 O ATOM 935 CB GLU A 228 55.028 -5.219 -0.980 1.00 1.00 C ATOM 936 CG GLU A 228 55.785 -5.646 -2.233 1.00 1.00 C ATOM 937 CD GLU A 228 57.146 -6.225 -1.847 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.450 -6.237 -0.666 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.861 -6.654 -2.739 1.00 1.00 O ATOM 0 H GLU A 228 54.853 -2.944 -1.953 1.00 1.00 H new ATOM 0 HA GLU A 228 53.183 -5.251 -2.087 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.620 -4.502 -0.411 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.861 -6.080 -0.332 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.207 -6.389 -2.782 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.919 -4.792 -2.897 1.00 1.00 H new ATOM 946 N LYS A 229 52.142 -5.506 0.248 1.00 1.00 N ATOM 947 CA LYS A 229 51.276 -5.482 1.432 1.00 1.00 C ATOM 948 C LYS A 229 51.814 -6.428 2.500 1.00 1.00 C ATOM 949 O LYS A 229 51.725 -6.145 3.696 1.00 1.00 O ATOM 950 CB LYS A 229 49.847 -5.889 1.056 1.00 1.00 C ATOM 951 CG LYS A 229 48.925 -5.649 2.249 1.00 1.00 C ATOM 952 CD LYS A 229 47.483 -5.908 1.827 1.00 1.00 C ATOM 953 CE LYS A 229 46.550 -5.661 3.014 1.00 1.00 C ATOM 954 NZ LYS A 229 45.137 -5.884 2.594 1.00 1.00 N ATOM 0 H LYS A 229 52.167 -6.402 -0.238 1.00 1.00 H new ATOM 0 HA LYS A 229 51.264 -4.467 1.828 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.506 -5.312 0.196 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.820 -6.939 0.766 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.199 -6.307 3.074 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.033 -4.625 2.608 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.213 -5.255 0.997 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.375 -6.933 1.474 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.806 -6.330 3.836 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.674 -4.642 3.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.597 -6.281 3.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.714 -4.979 2.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 45.113 -6.548 1.794 1.00 1.00 H new