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= 0.0826 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 2:sc= 0.567 USER MOD Single : A 198 TYR OH : rot 116:sc= 0.358 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= -0.208 K(o=-0.21,f=-3.5!) USER MOD Single : A 214 LYS NZ :NH3+ -164:sc= -0.03 (180deg=-0.299) USER MOD Single : A 215 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.9!) USER MOD Single : A 217 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.13) USER MOD Single : A 220 TYR OH : rot 180:sc= -2.68! USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 102:sc= 0.678 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ -177:sc= -1.8! (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.390 -12.589 -2.393 1.00 1.00 N ATOM 66 CA THR A 174 51.832 -11.570 -1.508 1.00 1.00 C ATOM 67 C THR A 174 50.778 -10.765 -2.245 1.00 1.00 C ATOM 68 O THR A 174 50.408 -11.096 -3.367 1.00 1.00 O ATOM 69 CB THR A 174 52.947 -10.639 -1.007 1.00 1.00 C ATOM 70 OG1 THR A 174 52.557 -10.078 0.234 1.00 1.00 O ATOM 71 CG2 THR A 174 53.217 -9.512 -2.013 1.00 1.00 C ATOM 0 HA THR A 174 51.370 -12.061 -0.651 1.00 1.00 H new ATOM 0 HB THR A 174 53.862 -11.220 -0.890 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.264 -9.484 0.561 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.010 -8.868 -1.634 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.523 -9.941 -2.967 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.309 -8.925 -2.154 1.00 1.00 H new ATOM 79 N LEU A 175 50.312 -9.696 -1.607 1.00 1.00 N ATOM 80 CA LEU A 175 49.305 -8.823 -2.204 1.00 1.00 C ATOM 81 C LEU A 175 49.880 -7.422 -2.376 1.00 1.00 C ATOM 82 O LEU A 175 50.816 -7.036 -1.678 1.00 1.00 O ATOM 83 CB LEU A 175 48.047 -8.764 -1.323 1.00 1.00 C ATOM 84 CG LEU A 175 47.777 -10.134 -0.704 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.641 -10.022 0.314 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.398 -11.127 -1.809 1.00 1.00 C ATOM 0 H LEU A 175 50.616 -9.412 -0.675 1.00 1.00 H new ATOM 0 HA LEU A 175 49.027 -9.226 -3.178 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.178 -8.020 -0.537 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.190 -8.450 -1.919 1.00 1.00 H new ATOM 0 HG LEU A 175 48.674 -10.490 -0.196 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.450 -11.000 0.755 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.923 -9.320 1.098 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.739 -9.666 -0.185 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.205 -12.105 -1.369 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.502 -10.777 -2.321 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.217 -11.206 -2.524 1.00 1.00 H new ATOM 98 N VAL A 176 49.317 -6.668 -3.312 1.00 1.00 N ATOM 99 CA VAL A 176 49.776 -5.305 -3.581 1.00 1.00 C ATOM 100 C VAL A 176 48.597 -4.355 -3.591 1.00 1.00 C ATOM 101 O VAL A 176 47.454 -4.791 -3.619 1.00 1.00 O ATOM 102 CB VAL A 176 50.476 -5.245 -4.933 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.753 -6.078 -4.877 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.556 -5.806 -6.020 1.00 1.00 C ATOM 0 H VAL A 176 48.541 -6.975 -3.899 1.00 1.00 H new ATOM 0 HA VAL A 176 50.475 -5.013 -2.797 1.00 1.00 H new ATOM 0 HB VAL A 176 50.719 -4.208 -5.166 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.257 -6.037 -5.843 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.413 -5.680 -4.106 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.503 -7.112 -4.642 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.062 -5.760 -6.984 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.309 -6.842 -5.789 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.641 -5.216 -6.062 1.00 1.00 H new ATOM 114 N ILE A 177 48.884 -3.055 -3.555 1.00 1.00 N ATOM 115 CA ILE A 177 47.833 -2.037 -3.557 1.00 1.00 C ATOM 116 C ILE A 177 48.069 -1.036 -4.682 1.00 1.00 C ATOM 117 O ILE A 177 49.171 -0.509 -4.829 1.00 1.00 O ATOM 118 CB ILE A 177 47.824 -1.300 -2.216 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.465 -2.284 -1.103 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.788 -0.174 -2.251 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.733 -1.654 0.263 1.00 1.00 C ATOM 0 H ILE A 177 49.833 -2.682 -3.524 1.00 1.00 H new ATOM 0 HA ILE A 177 46.872 -2.527 -3.712 1.00 1.00 H new ATOM 0 HB ILE A 177 48.811 -0.876 -2.030 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.415 -2.567 -1.182 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.050 -3.197 -1.212 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.785 0.348 -1.294 1.00 1.00 H new ATOM 0 HG22 ILE A 177 47.040 0.528 -3.046 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.800 -0.594 -2.438 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.474 -2.364 1.048 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.789 -1.394 0.343 1.00 1.00 H new ATOM 0 HD13 ILE A 177 47.128 -0.754 0.373 1.00 1.00 H new ATOM 133 N ALA A 178 47.025 -0.771 -5.460 1.00 1.00 N ATOM 134 CA ALA A 178 47.122 0.176 -6.567 1.00 1.00 C ATOM 135 C ALA A 178 46.974 1.610 -6.058 1.00 1.00 C ATOM 136 O ALA A 178 45.907 2.003 -5.585 1.00 1.00 O ATOM 137 CB ALA A 178 46.035 -0.126 -7.610 1.00 1.00 C ATOM 0 H ALA A 178 46.105 -1.196 -5.346 1.00 1.00 H new ATOM 0 HA ALA A 178 48.103 0.072 -7.031 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.113 0.584 -8.433 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.167 -1.139 -7.991 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.052 -0.038 -7.147 1.00 1.00 H new ATOM 143 N LEU A 179 48.047 2.383 -6.162 1.00 1.00 N ATOM 144 CA LEU A 179 48.023 3.768 -5.707 1.00 1.00 C ATOM 145 C LEU A 179 47.010 4.574 -6.507 1.00 1.00 C ATOM 146 O LEU A 179 46.278 5.391 -5.952 1.00 1.00 O ATOM 147 CB LEU A 179 49.411 4.388 -5.862 1.00 1.00 C ATOM 148 CG LEU A 179 50.386 3.713 -4.886 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.815 4.169 -5.203 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.031 4.069 -3.424 1.00 1.00 C ATOM 0 H LEU A 179 48.938 2.079 -6.554 1.00 1.00 H new ATOM 0 HA LEU A 179 47.733 3.784 -4.656 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.763 4.266 -6.886 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.366 5.459 -5.665 1.00 1.00 H new ATOM 0 HG LEU A 179 50.310 2.632 -5.002 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.511 3.692 -4.512 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.068 3.888 -6.225 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.883 5.252 -5.097 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.734 3.580 -2.750 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.089 5.149 -3.288 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.019 3.729 -3.202 1.00 1.00 H new ATOM 162 N TYR A 180 46.973 4.340 -7.817 1.00 1.00 N ATOM 163 CA TYR A 180 46.044 5.050 -8.698 1.00 1.00 C ATOM 164 C TYR A 180 45.266 4.061 -9.558 1.00 1.00 C ATOM 165 O TYR A 180 45.742 2.962 -9.841 1.00 1.00 O ATOM 166 CB TYR A 180 46.816 6.017 -9.597 1.00 1.00 C ATOM 167 CG TYR A 180 47.596 6.985 -8.738 1.00 1.00 C ATOM 168 CD1 TYR A 180 46.942 8.058 -8.119 1.00 1.00 C ATOM 169 CD2 TYR A 180 48.975 6.811 -8.560 1.00 1.00 C ATOM 170 CE1 TYR A 180 47.666 8.955 -7.324 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.698 7.709 -7.765 1.00 1.00 C ATOM 172 CZ TYR A 180 49.044 8.781 -7.147 1.00 1.00 C ATOM 173 OH TYR A 180 49.757 9.666 -6.365 1.00 1.00 O ATOM 0 H TYR A 180 47.573 3.666 -8.292 1.00 1.00 H new ATOM 0 HA TYR A 180 45.341 5.611 -8.083 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.493 5.464 -10.248 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.126 6.561 -10.243 1.00 1.00 H new ATOM 0 HD1 TYR A 180 45.879 8.193 -8.255 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.481 5.984 -9.036 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.161 9.782 -6.847 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.761 7.574 -7.629 1.00 1.00 H new ATOM 0 HH TYR A 180 50.700 9.400 -6.347 1.00 1.00 H new ATOM 183 N ASP A 181 44.067 4.459 -9.967 1.00 1.00 N ATOM 184 CA ASP A 181 43.232 3.599 -10.793 1.00 1.00 C ATOM 185 C ASP A 181 43.809 3.500 -12.199 1.00 1.00 C ATOM 186 O ASP A 181 43.548 4.350 -13.050 1.00 1.00 O ATOM 187 CB ASP A 181 41.812 4.166 -10.864 1.00 1.00 C ATOM 188 CG ASP A 181 41.842 5.577 -11.444 1.00 1.00 C ATOM 189 OD1 ASP A 181 42.929 6.108 -11.609 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.777 6.106 -11.718 1.00 1.00 O ATOM 0 H ASP A 181 43.655 5.364 -9.742 1.00 1.00 H new ATOM 0 HA ASP A 181 43.205 2.605 -10.347 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.185 3.523 -11.482 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.368 4.182 -9.869 1.00 1.00 H new ATOM 195 N TYR A 182 44.594 2.453 -12.441 1.00 1.00 N ATOM 196 CA TYR A 182 45.206 2.246 -13.752 1.00 1.00 C ATOM 197 C TYR A 182 44.391 1.251 -14.566 1.00 1.00 C ATOM 198 O TYR A 182 44.515 0.040 -14.385 1.00 1.00 O ATOM 199 CB TYR A 182 46.630 1.714 -13.583 1.00 1.00 C ATOM 200 CG TYR A 182 47.258 1.526 -14.943 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.642 2.645 -15.693 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.461 0.239 -15.452 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.228 2.476 -16.953 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.049 0.071 -16.711 1.00 1.00 C ATOM 205 CZ TYR A 182 48.431 1.189 -17.462 1.00 1.00 C ATOM 206 OH TYR A 182 49.008 1.020 -18.704 1.00 1.00 O ATOM 0 H TYR A 182 44.821 1.737 -11.750 1.00 1.00 H new ATOM 0 HA TYR A 182 45.232 3.201 -14.277 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.222 2.410 -12.989 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.615 0.767 -13.043 1.00 1.00 H new ATOM 0 HD1 TYR A 182 47.486 3.638 -15.299 1.00 1.00 H new ATOM 0 HD2 TYR A 182 47.164 -0.624 -14.874 1.00 1.00 H new ATOM 0 HE1 TYR A 182 48.523 3.339 -17.532 1.00 1.00 H new ATOM 0 HE2 TYR A 182 48.208 -0.922 -17.104 1.00 1.00 H new ATOM 0 HH TYR A 182 49.077 0.063 -18.905 1.00 1.00 H new ATOM 319 N LEU A 190 45.996 -6.177 -16.357 1.00 1.00 N ATOM 320 CA LEU A 190 44.909 -6.316 -15.394 1.00 1.00 C ATOM 321 C LEU A 190 44.488 -4.947 -14.868 1.00 1.00 C ATOM 322 O LEU A 190 45.324 -4.159 -14.422 1.00 1.00 O ATOM 323 CB LEU A 190 45.353 -7.193 -14.218 1.00 1.00 C ATOM 324 CG LEU A 190 44.150 -7.499 -13.313 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.165 -8.443 -14.025 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.643 -8.155 -12.024 1.00 1.00 C ATOM 0 HA LEU A 190 44.063 -6.784 -15.898 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.786 -8.122 -14.589 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.130 -6.685 -13.646 1.00 1.00 H new ATOM 0 HG LEU A 190 43.635 -6.566 -13.083 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.319 -8.649 -13.369 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.808 -7.972 -14.941 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.670 -9.378 -14.270 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.792 -8.374 -11.379 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.164 -9.082 -12.264 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.324 -7.478 -11.509 1.00 1.00 H new ATOM 338 N ALA A 191 43.189 -4.674 -14.915 1.00 1.00 N ATOM 339 CA ALA A 191 42.671 -3.400 -14.431 1.00 1.00 C ATOM 340 C ALA A 191 42.941 -3.259 -12.939 1.00 1.00 C ATOM 341 O ALA A 191 42.744 -4.202 -12.174 1.00 1.00 O ATOM 342 CB ALA A 191 41.167 -3.318 -14.683 1.00 1.00 C ATOM 0 H ALA A 191 42.481 -5.311 -15.280 1.00 1.00 H new ATOM 0 HA ALA A 191 43.172 -2.594 -14.966 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.789 -2.363 -14.318 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.972 -3.401 -15.752 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.665 -4.131 -14.159 1.00 1.00 H new ATOM 348 N LEU A 192 43.400 -2.076 -12.530 1.00 1.00 N ATOM 349 CA LEU A 192 43.710 -1.816 -11.122 1.00 1.00 C ATOM 350 C LEU A 192 42.854 -0.673 -10.593 1.00 1.00 C ATOM 351 O LEU A 192 42.763 0.388 -11.211 1.00 1.00 O ATOM 352 CB LEU A 192 45.181 -1.444 -10.984 1.00 1.00 C ATOM 353 CG LEU A 192 46.047 -2.475 -11.719 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.517 -2.044 -11.659 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.887 -3.861 -11.062 1.00 1.00 C ATOM 0 H LEU A 192 43.565 -1.284 -13.151 1.00 1.00 H new ATOM 0 HA LEU A 192 43.499 -2.717 -10.545 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.355 -0.450 -11.395 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.459 -1.406 -9.931 1.00 1.00 H new ATOM 0 HG LEU A 192 45.727 -2.535 -12.759 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.133 -2.776 -12.181 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.630 -1.070 -12.135 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.835 -1.979 -10.618 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.505 -4.587 -11.590 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.200 -3.808 -10.019 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.843 -4.169 -11.112 1.00 1.00 H new ATOM 367 N ARG A 193 42.225 -0.901 -9.446 1.00 1.00 N ATOM 368 CA ARG A 193 41.358 0.106 -8.824 1.00 1.00 C ATOM 369 C ARG A 193 42.100 0.784 -7.680 1.00 1.00 C ATOM 370 O ARG A 193 42.888 0.156 -6.979 1.00 1.00 O ATOM 371 CB ARG A 193 40.054 -0.554 -8.300 1.00 1.00 C ATOM 372 CG ARG A 193 39.986 -1.999 -8.769 1.00 1.00 C ATOM 373 CD ARG A 193 38.668 -2.622 -8.317 1.00 1.00 C ATOM 374 NE ARG A 193 38.633 -4.036 -8.665 1.00 1.00 N ATOM 375 CZ ARG A 193 37.488 -4.708 -8.682 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.372 -4.098 -8.392 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.480 -5.975 -8.990 1.00 1.00 N ATOM 0 H ARG A 193 42.296 -1.774 -8.923 1.00 1.00 H new ATOM 0 HA ARG A 193 41.090 0.854 -9.570 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.027 -0.513 -7.211 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.186 -0.003 -8.661 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.068 -2.044 -9.855 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.825 -2.564 -8.363 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.552 -2.502 -7.240 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.832 -2.104 -8.787 1.00 1.00 H new ATOM 0 HE ARG A 193 39.501 -4.517 -8.899 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.380 -3.106 -8.153 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.491 -4.613 -8.405 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.353 -6.450 -9.218 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.600 -6.491 -9.003 1.00 1.00 H new ATOM 391 N CYS A 194 41.841 2.065 -7.501 1.00 1.00 N ATOM 392 CA CYS A 194 42.489 2.818 -6.444 1.00 1.00 C ATOM 393 C CYS A 194 42.111 2.272 -5.076 1.00 1.00 C ATOM 394 O CYS A 194 40.936 2.055 -4.799 1.00 1.00 O ATOM 395 CB CYS A 194 42.066 4.285 -6.525 1.00 1.00 C ATOM 396 SG CYS A 194 40.400 4.492 -5.828 1.00 1.00 S ATOM 0 H CYS A 194 41.189 2.604 -8.071 1.00 1.00 H new ATOM 0 HA CYS A 194 43.567 2.728 -6.575 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.777 4.907 -5.981 1.00 1.00 H new ATOM 0 HB3 CYS A 194 42.079 4.619 -7.563 1.00 1.00 H new ATOM 0 HG CYS A 194 39.971 3.349 -5.383 1.00 1.00 H new ATOM 402 N ASP A 195 43.119 2.059 -4.236 1.00 1.00 N ATOM 403 CA ASP A 195 42.899 1.542 -2.883 1.00 1.00 C ATOM 404 C ASP A 195 42.724 0.030 -2.904 1.00 1.00 C ATOM 405 O ASP A 195 42.939 -0.638 -1.893 1.00 1.00 O ATOM 406 CB ASP A 195 41.654 2.197 -2.250 1.00 1.00 C ATOM 407 CG ASP A 195 41.575 3.663 -2.668 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.623 4.265 -2.838 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.470 4.159 -2.821 1.00 1.00 O ATOM 0 H ASP A 195 44.097 2.235 -4.465 1.00 1.00 H new ATOM 0 HA ASP A 195 43.776 1.787 -2.284 1.00 1.00 H new ATOM 0 HB2 ASP A 195 40.754 1.670 -2.566 1.00 1.00 H new ATOM 0 HB3 ASP A 195 41.704 2.121 -1.164 1.00 1.00 H new ATOM 414 N GLU A 196 42.336 -0.514 -4.056 1.00 1.00 N ATOM 415 CA GLU A 196 42.140 -1.944 -4.175 1.00 1.00 C ATOM 416 C GLU A 196 43.483 -2.660 -4.213 1.00 1.00 C ATOM 417 O GLU A 196 44.523 -2.040 -4.443 1.00 1.00 O ATOM 418 CB GLU A 196 41.333 -2.246 -5.450 1.00 1.00 C ATOM 419 CG GLU A 196 41.231 -3.753 -5.679 1.00 1.00 C ATOM 420 CD GLU A 196 40.643 -4.426 -4.441 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.838 -3.792 -3.778 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.998 -5.562 -4.177 1.00 1.00 O ATOM 0 H GLU A 196 42.154 0.015 -4.909 1.00 1.00 H new ATOM 0 HA GLU A 196 41.586 -2.305 -3.308 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.334 -1.818 -5.365 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.810 -1.774 -6.309 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.604 -3.956 -6.547 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.217 -4.165 -5.894 1.00 1.00 H new ATOM 429 N GLU A 197 43.449 -3.973 -4.009 1.00 1.00 N ATOM 430 CA GLU A 197 44.655 -4.788 -4.045 1.00 1.00 C ATOM 431 C GLU A 197 44.423 -6.037 -4.888 1.00 1.00 C ATOM 432 O GLU A 197 43.297 -6.346 -5.281 1.00 1.00 O ATOM 433 CB GLU A 197 45.059 -5.189 -2.626 1.00 1.00 C ATOM 434 CG GLU A 197 43.804 -5.486 -1.820 1.00 1.00 C ATOM 435 CD GLU A 197 44.173 -6.195 -0.523 1.00 1.00 C ATOM 436 OE1 GLU A 197 45.134 -6.946 -0.535 1.00 1.00 O ATOM 437 OE2 GLU A 197 43.496 -5.969 0.466 1.00 1.00 O ATOM 0 H GLU A 197 42.595 -4.496 -3.816 1.00 1.00 H new ATOM 0 HA GLU A 197 45.458 -4.203 -4.493 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.706 -6.066 -2.652 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.628 -4.387 -2.155 1.00 1.00 H new ATOM 0 HG2 GLU A 197 43.276 -4.558 -1.599 1.00 1.00 H new ATOM 0 HG3 GLU A 197 43.126 -6.108 -2.404 1.00 1.00 H new ATOM 444 N TYR A 198 45.509 -6.745 -5.160 1.00 1.00 N ATOM 445 CA TYR A 198 45.451 -7.971 -5.960 1.00 1.00 C ATOM 446 C TYR A 198 46.440 -9.002 -5.430 1.00 1.00 C ATOM 447 O TYR A 198 47.217 -8.719 -4.525 1.00 1.00 O ATOM 448 CB TYR A 198 45.792 -7.657 -7.413 1.00 1.00 C ATOM 449 CG TYR A 198 44.736 -6.749 -7.993 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.735 -5.388 -7.673 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.763 -7.267 -8.855 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.759 -4.542 -8.211 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.786 -6.419 -9.395 1.00 1.00 C ATOM 454 CZ TYR A 198 42.784 -5.058 -9.072 1.00 1.00 C ATOM 455 OH TYR A 198 41.820 -4.226 -9.604 1.00 1.00 O ATOM 0 H TYR A 198 46.445 -6.496 -4.840 1.00 1.00 H new ATOM 0 HA TYR A 198 44.441 -8.376 -5.895 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.770 -7.180 -7.473 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.851 -8.579 -7.991 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.488 -4.989 -7.010 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.765 -8.318 -9.104 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.758 -3.491 -7.962 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.034 -6.817 -10.061 1.00 1.00 H new ATOM 0 HH TYR A 198 41.926 -4.183 -10.577 1.00 1.00 H new ATOM 465 N TYR A 199 46.398 -10.197 -6.005 1.00 1.00 N ATOM 466 CA TYR A 199 47.295 -11.287 -5.602 1.00 1.00 C ATOM 467 C TYR A 199 48.556 -11.266 -6.436 1.00 1.00 C ATOM 468 O TYR A 199 48.497 -11.364 -7.654 1.00 1.00 O ATOM 469 CB TYR A 199 46.585 -12.655 -5.777 1.00 1.00 C ATOM 470 CG TYR A 199 46.199 -13.207 -4.434 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.167 -13.845 -3.655 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.893 -13.068 -3.971 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.830 -14.354 -2.402 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.545 -13.570 -2.717 1.00 1.00 C ATOM 475 CZ TYR A 199 45.515 -14.215 -1.926 1.00 1.00 C ATOM 476 OH TYR A 199 45.176 -14.707 -0.683 1.00 1.00 O ATOM 0 H TYR A 199 45.752 -10.442 -6.755 1.00 1.00 H new ATOM 0 HA TYR A 199 47.557 -11.147 -4.553 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.698 -12.537 -6.400 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.245 -13.354 -6.291 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.177 -13.944 -4.024 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.152 -12.573 -4.581 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.575 -14.853 -1.800 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.534 -13.464 -2.353 1.00 1.00 H new ATOM 0 HH TYR A 199 44.229 -14.527 -0.507 1.00 1.00 H new ATOM 486 N LEU A 200 49.698 -11.136 -5.773 1.00 1.00 N ATOM 487 CA LEU A 200 50.967 -11.095 -6.478 1.00 1.00 C ATOM 488 C LEU A 200 51.444 -12.505 -6.800 1.00 1.00 C ATOM 489 O LEU A 200 51.545 -13.356 -5.916 1.00 1.00 O ATOM 490 CB LEU A 200 52.025 -10.402 -5.612 1.00 1.00 C ATOM 491 CG LEU A 200 53.274 -10.061 -6.451 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.914 -9.079 -7.573 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.332 -9.425 -5.540 1.00 1.00 C ATOM 0 H LEU A 200 49.769 -11.058 -4.758 1.00 1.00 H new ATOM 0 HA LEU A 200 50.824 -10.540 -7.405 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.610 -9.491 -5.181 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.304 -11.050 -4.781 1.00 1.00 H new ATOM 0 HG LEU A 200 53.663 -10.976 -6.897 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.806 -8.849 -8.155 1.00 1.00 H new ATOM 0 HD12 LEU A 200 52.163 -9.528 -8.222 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.517 -8.161 -7.140 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.218 -9.181 -6.126 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.930 -8.515 -5.095 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.601 -10.126 -4.750 1.00 1.00 H new ATOM 505 N LEU A 201 51.740 -12.741 -8.072 1.00 1.00 N ATOM 506 CA LEU A 201 52.215 -14.053 -8.521 1.00 1.00 C ATOM 507 C LEU A 201 53.702 -14.016 -8.841 1.00 1.00 C ATOM 508 O LEU A 201 54.505 -14.680 -8.186 1.00 1.00 O ATOM 509 CB LEU A 201 51.440 -14.495 -9.765 1.00 1.00 C ATOM 510 CG LEU A 201 49.936 -14.653 -9.419 1.00 1.00 C ATOM 511 CD1 LEU A 201 49.186 -13.331 -9.677 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.325 -15.770 -10.274 1.00 1.00 C ATOM 0 H LEU A 201 51.661 -12.045 -8.814 1.00 1.00 H new ATOM 0 HA LEU A 201 52.049 -14.765 -7.712 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.564 -13.761 -10.562 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.838 -15.439 -10.136 1.00 1.00 H new ATOM 0 HG LEU A 201 49.842 -14.910 -8.364 1.00 1.00 H new ATOM 0 HD11 LEU A 201 48.132 -13.457 -9.430 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.613 -12.543 -9.056 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.282 -13.057 -10.728 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.268 -15.879 -10.029 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.429 -15.518 -11.329 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.843 -16.708 -10.072 1.00 1.00 H new ATOM 524 N ASP A 202 54.064 -13.235 -9.853 1.00 1.00 N ATOM 525 CA ASP A 202 55.463 -13.118 -10.254 1.00 1.00 C ATOM 526 C ASP A 202 56.112 -11.942 -9.543 1.00 1.00 C ATOM 527 O ASP A 202 56.128 -10.826 -10.060 1.00 1.00 O ATOM 528 CB ASP A 202 55.560 -12.915 -11.765 1.00 1.00 C ATOM 529 CG ASP A 202 57.013 -13.023 -12.214 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.882 -12.964 -11.360 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.234 -13.165 -13.405 1.00 1.00 O ATOM 0 H ASP A 202 53.415 -12.677 -10.407 1.00 1.00 H new ATOM 0 HA ASP A 202 55.983 -14.036 -9.980 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.955 -13.662 -12.280 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.159 -11.938 -12.035 1.00 1.00 H new ATOM 536 N SER A 203 56.642 -12.197 -8.351 1.00 1.00 N ATOM 537 CA SER A 203 57.291 -11.149 -7.567 1.00 1.00 C ATOM 538 C SER A 203 58.808 -11.237 -7.699 1.00 1.00 C ATOM 539 O SER A 203 59.542 -10.466 -7.080 1.00 1.00 O ATOM 540 CB SER A 203 56.898 -11.294 -6.107 1.00 1.00 C ATOM 541 OG SER A 203 57.626 -12.365 -5.516 1.00 1.00 O ATOM 0 H SER A 203 56.636 -13.115 -7.907 1.00 1.00 H new ATOM 0 HA SER A 203 56.966 -10.179 -7.944 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.100 -10.366 -5.572 1.00 1.00 H new ATOM 0 HB3 SER A 203 55.827 -11.481 -6.026 1.00 1.00 H new ATOM 0 HG SER A 203 57.371 -12.454 -4.574 1.00 1.00 H new ATOM 609 N TRP A 208 57.904 -7.746 -15.418 1.00 1.00 N ATOM 610 CA TRP A 208 56.615 -7.204 -14.997 1.00 1.00 C ATOM 611 C TRP A 208 56.037 -8.010 -13.839 1.00 1.00 C ATOM 612 O TRP A 208 56.291 -9.207 -13.714 1.00 1.00 O ATOM 613 CB TRP A 208 55.646 -7.252 -16.175 1.00 1.00 C ATOM 614 CG TRP A 208 55.981 -6.176 -17.151 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.806 -6.324 -18.208 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.512 -4.798 -17.181 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.885 -5.124 -18.884 1.00 1.00 N ATOM 618 CE2 TRP A 208 56.102 -4.149 -18.291 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.645 -4.056 -16.360 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.837 -2.807 -18.575 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.376 -2.710 -16.642 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.971 -2.085 -17.746 1.00 1.00 C ATOM 0 HA TRP A 208 56.760 -6.176 -14.665 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.699 -8.226 -16.662 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.623 -7.128 -15.821 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.321 -7.234 -18.481 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.451 -4.974 -19.719 1.00 1.00 H new ATOM 0 HE3 TRP A 208 54.183 -4.527 -15.505 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 56.297 -2.330 -19.428 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.706 -2.151 -16.005 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.761 -1.047 -17.957 1.00 1.00 H new ATOM 633 N TRP A 209 55.251 -7.344 -13.001 1.00 1.00 N ATOM 634 CA TRP A 209 54.630 -8.002 -11.850 1.00 1.00 C ATOM 635 C TRP A 209 53.262 -8.539 -12.227 1.00 1.00 C ATOM 636 O TRP A 209 52.335 -7.786 -12.529 1.00 1.00 O ATOM 637 CB TRP A 209 54.515 -6.999 -10.675 1.00 1.00 C ATOM 638 CG TRP A 209 55.655 -7.160 -9.708 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.871 -7.702 -9.985 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.702 -6.771 -8.309 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.630 -7.699 -8.839 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.964 -7.125 -7.787 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.777 -6.157 -7.447 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.302 -6.883 -6.464 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.114 -5.907 -6.110 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.376 -6.268 -5.622 1.00 1.00 C ATOM 0 H TRP A 209 55.027 -6.353 -13.093 1.00 1.00 H new ATOM 0 HA TRP A 209 55.253 -8.841 -11.538 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.505 -5.980 -11.063 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.569 -7.151 -10.155 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.188 -8.074 -10.948 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.575 -8.078 -8.779 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.802 -5.877 -7.817 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.274 -7.168 -6.089 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.398 -5.434 -5.454 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.633 -6.070 -4.592 1.00 1.00 H new ATOM 657 N ARG A 210 53.150 -9.860 -12.179 1.00 1.00 N ATOM 658 CA ARG A 210 51.898 -10.520 -12.490 1.00 1.00 C ATOM 659 C ARG A 210 50.984 -10.481 -11.284 1.00 1.00 C ATOM 660 O ARG A 210 51.389 -10.841 -10.178 1.00 1.00 O ATOM 661 CB ARG A 210 52.145 -11.981 -12.895 1.00 1.00 C ATOM 662 CG ARG A 210 52.621 -12.040 -14.344 1.00 1.00 C ATOM 663 CD ARG A 210 52.860 -13.496 -14.739 1.00 1.00 C ATOM 664 NE ARG A 210 53.239 -13.576 -16.146 1.00 1.00 N ATOM 665 CZ ARG A 210 52.325 -13.735 -17.103 1.00 1.00 C ATOM 666 NH1 ARG A 210 51.059 -13.819 -16.794 1.00 1.00 N ATOM 667 NH2 ARG A 210 52.695 -13.802 -18.351 1.00 1.00 N ATOM 0 H ARG A 210 53.911 -10.491 -11.928 1.00 1.00 H new ATOM 0 HA ARG A 210 51.429 -9.996 -13.323 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.891 -12.429 -12.239 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.229 -12.560 -12.779 1.00 1.00 H new ATOM 0 HG2 ARG A 210 51.877 -11.590 -15.002 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.539 -11.464 -14.461 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.645 -13.926 -14.117 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.958 -14.082 -14.563 1.00 1.00 H new ATOM 0 HE ARG A 210 54.224 -13.509 -16.402 1.00 1.00 H new ATOM 0 HH11 ARG A 210 50.767 -13.763 -15.818 1.00 1.00 H new ATOM 0 HH12 ARG A 210 50.362 -13.941 -17.528 1.00 1.00 H new ATOM 0 HH21 ARG A 210 53.683 -13.733 -18.594 1.00 1.00 H new ATOM 0 HH22 ARG A 210 51.996 -13.924 -19.084 1.00 1.00 H new ATOM 681 N VAL A 211 49.749 -10.034 -11.496 1.00 1.00 N ATOM 682 CA VAL A 211 48.773 -9.945 -10.415 1.00 1.00 C ATOM 683 C VAL A 211 47.520 -10.742 -10.771 1.00 1.00 C ATOM 684 O VAL A 211 47.280 -11.034 -11.944 1.00 1.00 O ATOM 685 CB VAL A 211 48.391 -8.488 -10.181 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.563 -7.760 -9.527 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.055 -7.823 -11.519 1.00 1.00 C ATOM 0 H VAL A 211 49.401 -9.728 -12.405 1.00 1.00 H new ATOM 0 HA VAL A 211 49.217 -10.357 -9.509 1.00 1.00 H new ATOM 0 HB VAL A 211 47.520 -8.439 -9.528 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.295 -6.717 -9.358 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.799 -8.233 -8.574 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.433 -7.809 -10.182 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.782 -6.781 -11.349 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.924 -7.868 -12.176 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.220 -8.345 -11.985 1.00 1.00 H new ATOM 697 N GLN A 212 46.717 -11.092 -9.762 1.00 1.00 N ATOM 698 CA GLN A 212 45.489 -11.854 -9.985 1.00 1.00 C ATOM 699 C GLN A 212 44.373 -11.317 -9.100 1.00 1.00 C ATOM 700 O GLN A 212 44.559 -11.133 -7.898 1.00 1.00 O ATOM 701 CB GLN A 212 45.730 -13.330 -9.670 1.00 1.00 C ATOM 702 CG GLN A 212 44.432 -14.114 -9.851 1.00 1.00 C ATOM 703 CD GLN A 212 44.707 -15.608 -9.742 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.860 -16.036 -9.800 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.709 -16.433 -9.593 1.00 1.00 N ATOM 0 H GLN A 212 46.896 -10.859 -8.785 1.00 1.00 H new ATOM 0 HA GLN A 212 45.195 -11.752 -11.030 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.502 -13.730 -10.327 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.092 -13.439 -8.648 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.707 -13.813 -9.095 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.992 -13.887 -10.822 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.755 -16.076 -9.545 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.882 -17.436 -9.524 1.00 1.00 H new ATOM 714 N ASP A 213 43.210 -11.082 -9.698 1.00 1.00 N ATOM 715 CA ASP A 213 42.063 -10.578 -8.950 1.00 1.00 C ATOM 716 C ASP A 213 41.256 -11.738 -8.387 1.00 1.00 C ATOM 717 O ASP A 213 41.328 -12.860 -8.888 1.00 1.00 O ATOM 718 CB ASP A 213 41.169 -9.744 -9.863 1.00 1.00 C ATOM 719 CG ASP A 213 40.158 -8.956 -9.037 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.391 -8.786 -7.853 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.164 -8.532 -9.604 1.00 1.00 O ATOM 0 H ASP A 213 43.037 -11.231 -10.692 1.00 1.00 H new ATOM 0 HA ASP A 213 42.428 -9.958 -8.131 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.778 -9.060 -10.454 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.647 -10.394 -10.565 1.00 1.00 H new ATOM 726 N LYS A 214 40.490 -11.455 -7.347 1.00 1.00 N ATOM 727 CA LYS A 214 39.663 -12.479 -6.716 1.00 1.00 C ATOM 728 C LYS A 214 38.581 -12.961 -7.674 1.00 1.00 C ATOM 729 O LYS A 214 37.892 -13.946 -7.405 1.00 1.00 O ATOM 730 CB LYS A 214 39.010 -11.924 -5.451 1.00 1.00 C ATOM 731 CG LYS A 214 40.098 -11.548 -4.409 1.00 1.00 C ATOM 732 CD LYS A 214 40.303 -10.032 -4.393 1.00 1.00 C ATOM 733 CE LYS A 214 41.455 -9.688 -3.456 1.00 1.00 C ATOM 734 NZ LYS A 214 41.062 -10.013 -2.057 1.00 1.00 N ATOM 0 H LYS A 214 40.421 -10.531 -6.921 1.00 1.00 H new ATOM 0 HA LYS A 214 40.305 -13.320 -6.454 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.412 -11.046 -5.696 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.331 -12.664 -5.028 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.801 -11.894 -3.419 1.00 1.00 H new ATOM 0 HG3 LYS A 214 41.035 -12.048 -4.653 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.518 -9.672 -5.399 1.00 1.00 H new ATOM 0 HD3 LYS A 214 39.391 -9.534 -4.064 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.347 -10.249 -3.736 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.704 -8.630 -3.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 41.712 -9.542 -1.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.092 -9.682 -1.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 41.108 -11.042 -1.914 1.00 1.00 H new ATOM 748 N ASN A 215 38.427 -12.252 -8.789 1.00 1.00 N ATOM 749 CA ASN A 215 37.416 -12.610 -9.781 1.00 1.00 C ATOM 750 C ASN A 215 37.989 -13.587 -10.799 1.00 1.00 C ATOM 751 O ASN A 215 37.271 -14.089 -11.662 1.00 1.00 O ATOM 752 CB ASN A 215 36.924 -11.352 -10.495 1.00 1.00 C ATOM 753 CG ASN A 215 36.086 -10.508 -9.541 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.612 -11.008 -8.521 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.875 -9.249 -9.814 1.00 1.00 N ATOM 0 H ASN A 215 38.985 -11.432 -9.028 1.00 1.00 H new ATOM 0 HA ASN A 215 36.580 -13.088 -9.270 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.774 -10.773 -10.856 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.331 -11.627 -11.368 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.316 -8.677 -9.181 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.269 -8.838 -10.660 1.00 1.00 H new ATOM 762 N GLY A 216 39.292 -13.849 -10.700 1.00 1.00 N ATOM 763 CA GLY A 216 39.955 -14.770 -11.620 1.00 1.00 C ATOM 764 C GLY A 216 40.573 -14.023 -12.795 1.00 1.00 C ATOM 765 O GLY A 216 40.880 -14.619 -13.826 1.00 1.00 O ATOM 0 H GLY A 216 39.906 -13.439 -9.996 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.730 -15.324 -11.089 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.236 -15.501 -11.988 1.00 1.00 H new ATOM 769 N HIS A 217 40.748 -12.710 -12.641 1.00 1.00 N ATOM 770 CA HIS A 217 41.329 -11.890 -13.703 1.00 1.00 C ATOM 771 C HIS A 217 42.785 -11.574 -13.382 1.00 1.00 C ATOM 772 O HIS A 217 43.097 -11.038 -12.320 1.00 1.00 O ATOM 773 CB HIS A 217 40.542 -10.586 -13.846 1.00 1.00 C ATOM 774 CG HIS A 217 39.124 -10.900 -14.226 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.815 -11.775 -15.253 1.00 1.00 N ATOM 776 CD2 HIS A 217 37.924 -10.454 -13.737 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.475 -11.831 -15.348 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.882 -11.044 -14.446 1.00 1.00 N ATOM 0 H HIS A 217 40.498 -12.195 -11.797 1.00 1.00 H new ATOM 0 HA HIS A 217 41.281 -12.444 -14.640 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.565 -10.030 -12.909 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.002 -9.952 -14.604 1.00 1.00 H new ATOM 0 HD2 HIS A 217 37.805 -9.752 -12.925 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.943 -12.438 -16.066 1.00 1.00 H new ATOM 0 HE2 HIS A 217 35.881 -10.905 -14.307 1.00 1.00 H new ATOM 786 N GLU A 218 43.673 -11.929 -14.307 1.00 1.00 N ATOM 787 CA GLU A 218 45.110 -11.703 -14.126 1.00 1.00 C ATOM 788 C GLU A 218 45.687 -10.894 -15.280 1.00 1.00 C ATOM 789 O GLU A 218 45.123 -10.862 -16.373 1.00 1.00 O ATOM 790 CB GLU A 218 45.828 -13.046 -14.024 1.00 1.00 C ATOM 791 CG GLU A 218 45.456 -13.921 -15.223 1.00 1.00 C ATOM 792 CD GLU A 218 46.113 -15.291 -15.095 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.925 -15.458 -14.200 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.789 -16.158 -15.891 1.00 1.00 O ATOM 0 H GLU A 218 43.426 -12.375 -15.191 1.00 1.00 H new ATOM 0 HA GLU A 218 45.258 -11.136 -13.207 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.907 -12.892 -13.995 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.553 -13.547 -13.096 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.373 -14.032 -15.280 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.776 -13.440 -16.147 1.00 1.00 H new ATOM 801 N GLY A 219 46.827 -10.252 -15.035 1.00 1.00 N ATOM 802 CA GLY A 219 47.483 -9.459 -16.066 1.00 1.00 C ATOM 803 C GLY A 219 48.637 -8.662 -15.470 1.00 1.00 C ATOM 804 O GLY A 219 48.743 -8.524 -14.250 1.00 1.00 O ATOM 0 H GLY A 219 47.311 -10.266 -14.137 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.854 -10.113 -16.856 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.763 -8.781 -16.525 1.00 1.00 H new ATOM 808 N TYR A 220 49.508 -8.147 -16.332 1.00 1.00 N ATOM 809 CA TYR A 220 50.653 -7.383 -15.870 1.00 1.00 C ATOM 810 C TYR A 220 50.198 -6.107 -15.197 1.00 1.00 C ATOM 811 O TYR A 220 49.284 -5.438 -15.677 1.00 1.00 O ATOM 812 CB TYR A 220 51.550 -7.032 -17.062 1.00 1.00 C ATOM 813 CG TYR A 220 52.078 -8.303 -17.691 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.906 -9.160 -16.953 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.735 -8.632 -19.010 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.390 -10.335 -17.531 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.221 -9.810 -19.588 1.00 1.00 C ATOM 818 CZ TYR A 220 53.048 -10.661 -18.848 1.00 1.00 C ATOM 819 OH TYR A 220 53.528 -11.820 -19.419 1.00 1.00 O ATOM 0 H TYR A 220 49.441 -8.245 -17.345 1.00 1.00 H new ATOM 0 HA TYR A 220 51.209 -7.986 -15.152 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.987 -6.457 -17.797 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.379 -6.405 -16.734 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.170 -8.911 -15.936 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.095 -7.975 -19.581 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.029 -10.993 -16.961 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.958 -10.062 -20.605 1.00 1.00 H new ATOM 0 HH TYR A 220 53.194 -11.895 -20.337 1.00 1.00 H new ATOM 829 N ALA A 221 50.831 -5.773 -14.075 1.00 1.00 N ATOM 830 CA ALA A 221 50.476 -4.564 -13.340 1.00 1.00 C ATOM 831 C ALA A 221 51.739 -3.788 -12.933 1.00 1.00 C ATOM 832 O ALA A 221 52.577 -4.312 -12.196 1.00 1.00 O ATOM 833 CB ALA A 221 49.683 -4.921 -12.092 1.00 1.00 C ATOM 0 H ALA A 221 51.586 -6.318 -13.658 1.00 1.00 H new ATOM 0 HA ALA A 221 49.867 -3.938 -13.992 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.424 -4.010 -11.552 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.771 -5.445 -12.378 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.285 -5.564 -11.450 1.00 1.00 H new ATOM 839 N PRO A 222 51.900 -2.564 -13.385 1.00 1.00 N ATOM 840 CA PRO A 222 53.093 -1.741 -13.036 1.00 1.00 C ATOM 841 C PRO A 222 53.416 -1.798 -11.540 1.00 1.00 C ATOM 842 O PRO A 222 52.642 -1.322 -10.714 1.00 1.00 O ATOM 843 CB PRO A 222 52.674 -0.320 -13.449 1.00 1.00 C ATOM 844 CG PRO A 222 51.658 -0.494 -14.531 1.00 1.00 C ATOM 845 CD PRO A 222 50.973 -1.831 -14.270 1.00 1.00 C ATOM 0 HA PRO A 222 53.997 -2.092 -13.533 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.255 0.226 -12.603 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.531 0.252 -13.805 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.935 0.321 -14.519 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.131 -0.486 -15.513 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.001 -1.692 -13.796 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.800 -2.375 -15.199 1.00 1.00 H new ATOM 853 N SER A 223 54.571 -2.366 -11.215 1.00 1.00 N ATOM 854 CA SER A 223 55.020 -2.480 -9.824 1.00 1.00 C ATOM 855 C SER A 223 55.335 -1.103 -9.246 1.00 1.00 C ATOM 856 O SER A 223 55.525 -0.949 -8.041 1.00 1.00 O ATOM 857 CB SER A 223 56.263 -3.358 -9.743 1.00 1.00 C ATOM 858 OG SER A 223 57.331 -2.726 -10.435 1.00 1.00 O ATOM 0 H SER A 223 55.220 -2.758 -11.897 1.00 1.00 H new ATOM 0 HA SER A 223 54.216 -2.933 -9.244 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.537 -3.524 -8.701 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.060 -4.336 -10.179 1.00 1.00 H new ATOM 0 HG SER A 223 58.132 -3.288 -10.383 1.00 1.00 H new ATOM 864 N SER A 224 55.387 -0.107 -10.119 1.00 1.00 N ATOM 865 CA SER A 224 55.672 1.264 -9.692 1.00 1.00 C ATOM 866 C SER A 224 54.417 1.972 -9.180 1.00 1.00 C ATOM 867 O SER A 224 54.476 2.731 -8.213 1.00 1.00 O ATOM 868 CB SER A 224 56.260 2.060 -10.851 1.00 1.00 C ATOM 869 OG SER A 224 55.444 1.883 -12.000 1.00 1.00 O ATOM 0 H SER A 224 55.237 -0.217 -11.122 1.00 1.00 H new ATOM 0 HA SER A 224 56.390 1.208 -8.874 1.00 1.00 H new ATOM 0 HB2 SER A 224 56.317 3.117 -10.590 1.00 1.00 H new ATOM 0 HB3 SER A 224 57.277 1.727 -11.058 1.00 1.00 H new ATOM 0 HG SER A 224 54.874 2.671 -12.121 1.00 1.00 H new ATOM 875 N TYR A 225 53.287 1.729 -9.836 1.00 1.00 N ATOM 876 CA TYR A 225 52.033 2.372 -9.443 1.00 1.00 C ATOM 877 C TYR A 225 51.365 1.607 -8.312 1.00 1.00 C ATOM 878 O TYR A 225 50.172 1.770 -8.057 1.00 1.00 O ATOM 879 CB TYR A 225 51.083 2.437 -10.643 1.00 1.00 C ATOM 880 CG TYR A 225 51.571 3.485 -11.617 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.683 3.226 -12.423 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.908 4.714 -11.711 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.137 4.200 -13.325 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.359 5.686 -12.611 1.00 1.00 C ATOM 885 CZ TYR A 225 52.473 5.430 -13.418 1.00 1.00 C ATOM 886 OH TYR A 225 52.919 6.392 -14.304 1.00 1.00 O ATOM 0 H TYR A 225 53.211 1.099 -10.634 1.00 1.00 H new ATOM 0 HA TYR A 225 52.260 3.381 -9.098 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.033 1.465 -11.133 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.074 2.678 -10.309 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.193 2.276 -12.352 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.048 4.912 -11.089 1.00 1.00 H new ATOM 0 HE1 TYR A 225 53.997 4.002 -13.947 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.847 6.634 -12.683 1.00 1.00 H new ATOM 0 HH TYR A 225 52.345 7.184 -14.243 1.00 1.00 H new ATOM 896 N LEU A 226 52.144 0.781 -7.627 1.00 1.00 N ATOM 897 CA LEU A 226 51.626 0.004 -6.508 1.00 1.00 C ATOM 898 C LEU A 226 52.725 -0.264 -5.491 1.00 1.00 C ATOM 899 O LEU A 226 53.899 0.004 -5.746 1.00 1.00 O ATOM 900 CB LEU A 226 51.048 -1.315 -7.006 1.00 1.00 C ATOM 901 CG LEU A 226 52.125 -2.105 -7.773 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.139 -2.767 -6.807 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.435 -3.167 -8.645 1.00 1.00 C ATOM 0 H LEU A 226 53.133 0.632 -7.825 1.00 1.00 H new ATOM 0 HA LEU A 226 50.836 0.579 -6.026 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.684 -1.903 -6.164 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.193 -1.125 -7.655 1.00 1.00 H new ATOM 0 HG LEU A 226 52.687 -1.416 -8.404 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.884 -3.316 -7.382 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.633 -1.997 -6.214 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.614 -3.454 -6.144 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.188 -3.733 -9.193 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.863 -3.844 -8.010 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.764 -2.678 -9.351 1.00 1.00 H new ATOM 915 N VAL A 227 52.343 -0.805 -4.337 1.00 1.00 N ATOM 916 CA VAL A 227 53.313 -1.122 -3.285 1.00 1.00 C ATOM 917 C VAL A 227 52.971 -2.454 -2.627 1.00 1.00 C ATOM 918 O VAL A 227 51.819 -2.886 -2.642 1.00 1.00 O ATOM 919 CB VAL A 227 53.326 -0.017 -2.236 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.406 -0.313 -1.197 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.625 1.322 -2.913 1.00 1.00 C ATOM 0 H VAL A 227 51.376 -1.033 -4.105 1.00 1.00 H new ATOM 0 HA VAL A 227 54.301 -1.198 -3.738 1.00 1.00 H new ATOM 0 HB VAL A 227 52.354 0.031 -1.746 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.415 0.477 -0.447 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.196 -1.268 -0.715 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.379 -0.360 -1.687 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.635 2.114 -2.164 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.598 1.273 -3.402 1.00 1.00 H new ATOM 0 HG23 VAL A 227 52.856 1.534 -3.656 1.00 1.00 H new ATOM 931 N GLU A 228 53.979 -3.098 -2.047 1.00 1.00 N ATOM 932 CA GLU A 228 53.771 -4.378 -1.381 1.00 1.00 C ATOM 933 C GLU A 228 52.888 -4.204 -0.156 1.00 1.00 C ATOM 934 O GLU A 228 52.935 -3.173 0.513 1.00 1.00 O ATOM 935 CB GLU A 228 55.113 -4.979 -0.960 1.00 1.00 C ATOM 936 CG GLU A 228 55.869 -5.448 -2.198 1.00 1.00 C ATOM 937 CD GLU A 228 57.242 -5.984 -1.800 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.525 -6.013 -0.613 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.991 -6.359 -2.688 1.00 1.00 O ATOM 0 H GLU A 228 54.940 -2.758 -2.025 1.00 1.00 H new ATOM 0 HA GLU A 228 53.278 -5.051 -2.082 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.702 -4.238 -0.420 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.952 -5.816 -0.280 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.300 -6.225 -2.709 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.982 -4.622 -2.900 1.00 1.00 H new ATOM 946 N LYS A 229 52.081 -5.223 0.129 1.00 1.00 N ATOM 947 CA LYS A 229 51.176 -5.189 1.283 1.00 1.00 C ATOM 948 C LYS A 229 51.570 -6.251 2.306 1.00 1.00 C ATOM 949 O LYS A 229 51.219 -6.155 3.482 1.00 1.00 O ATOM 950 CB LYS A 229 49.732 -5.427 0.831 1.00 1.00 C ATOM 951 CG LYS A 229 48.791 -5.213 2.013 1.00 1.00 C ATOM 952 CD LYS A 229 47.349 -5.337 1.534 1.00 1.00 C ATOM 953 CE LYS A 229 46.400 -5.139 2.719 1.00 1.00 C ATOM 954 NZ LYS A 229 44.989 -5.246 2.253 1.00 1.00 N ATOM 0 H LYS A 229 52.033 -6.082 -0.419 1.00 1.00 H new ATOM 0 HA LYS A 229 51.252 -4.205 1.746 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.476 -4.746 0.020 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.623 -6.440 0.443 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.993 -5.949 2.792 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.958 -4.230 2.453 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.145 -4.594 0.763 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.187 -6.316 1.084 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.598 -5.888 3.486 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.570 -4.164 3.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.346 -5.061 3.049 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.818 -4.549 1.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.817 -6.203 1.884 1.00 1.00 H new