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 -121:sc= 0.307 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 71:sc= 0.997 USER MOD Single : A 198 TYR OH : rot 160:sc= 0.154 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= -0.0539 K(o=-0.054,f=-2.2!) USER MOD Single : A 214 LYS NZ :NH3+ -132:sc= -1.87! (180deg=-4.71!) USER MOD Single : A 215 ASN :FLIP amide:sc= -1.03 F(o=-2.7!,f=-1) USER MOD Single : A 217 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0074) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.444 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+ 136:sc= 0.538 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.355 -12.694 -1.969 1.00 1.00 N ATOM 66 CA THR A 174 51.699 -11.665 -1.162 1.00 1.00 C ATOM 67 C THR A 174 50.676 -10.911 -1.999 1.00 1.00 C ATOM 68 O THR A 174 50.299 -11.351 -3.083 1.00 1.00 O ATOM 69 CB THR A 174 52.752 -10.682 -0.632 1.00 1.00 C ATOM 70 OG1 THR A 174 52.180 -9.890 0.397 1.00 1.00 O ATOM 71 CG2 THR A 174 53.251 -9.771 -1.762 1.00 1.00 C ATOM 0 HA THR A 174 51.188 -12.143 -0.326 1.00 1.00 H new ATOM 0 HB THR A 174 53.597 -11.247 -0.238 1.00 1.00 H new ATOM 0 HG1 THR A 174 52.235 -8.943 0.150 1.00 1.00 H new ATOM 0 HG21 THR A 174 53.997 -9.080 -1.370 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.698 -10.379 -2.549 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.413 -9.206 -2.171 1.00 1.00 H new ATOM 79 N LEU A 175 50.221 -9.774 -1.482 1.00 1.00 N ATOM 80 CA LEU A 175 49.249 -8.950 -2.189 1.00 1.00 C ATOM 81 C LEU A 175 49.808 -7.545 -2.362 1.00 1.00 C ATOM 82 O LEU A 175 50.715 -7.132 -1.640 1.00 1.00 O ATOM 83 CB LEU A 175 47.922 -8.891 -1.424 1.00 1.00 C ATOM 84 CG LEU A 175 47.361 -10.318 -1.204 1.00 1.00 C ATOM 85 CD1 LEU A 175 47.800 -10.851 0.169 1.00 1.00 C ATOM 86 CD2 LEU A 175 45.821 -10.292 -1.282 1.00 1.00 C ATOM 0 H LEU A 175 50.510 -9.403 -0.577 1.00 1.00 H new ATOM 0 HA LEU A 175 49.060 -9.395 -3.166 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.071 -8.400 -0.462 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.201 -8.292 -1.980 1.00 1.00 H new ATOM 0 HG LEU A 175 47.750 -10.975 -1.982 1.00 1.00 H new ATOM 0 HD11 LEU A 175 47.401 -11.855 0.314 1.00 1.00 H new ATOM 0 HD12 LEU A 175 48.889 -10.883 0.216 1.00 1.00 H new ATOM 0 HD13 LEU A 175 47.423 -10.193 0.952 1.00 1.00 H new ATOM 0 HD21 LEU A 175 45.432 -11.298 -1.127 1.00 1.00 H new ATOM 0 HD22 LEU A 175 45.429 -9.628 -0.512 1.00 1.00 H new ATOM 0 HD23 LEU A 175 45.512 -9.931 -2.263 1.00 1.00 H new ATOM 98 N VAL A 176 49.262 -6.817 -3.329 1.00 1.00 N ATOM 99 CA VAL A 176 49.710 -5.453 -3.610 1.00 1.00 C ATOM 100 C VAL A 176 48.518 -4.520 -3.677 1.00 1.00 C ATOM 101 O VAL A 176 47.386 -4.969 -3.817 1.00 1.00 O ATOM 102 CB VAL A 176 50.454 -5.415 -4.943 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.690 -6.309 -4.861 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.535 -5.911 -6.065 1.00 1.00 C ATOM 0 H VAL A 176 48.509 -7.146 -3.933 1.00 1.00 H new ATOM 0 HA VAL A 176 50.378 -5.131 -2.811 1.00 1.00 H new ATOM 0 HB VAL A 176 50.759 -4.390 -5.157 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.222 -6.283 -5.812 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.346 -5.950 -4.068 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.385 -7.333 -4.644 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.071 -5.882 -7.014 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.224 -6.934 -5.855 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.656 -5.270 -6.125 1.00 1.00 H new ATOM 114 N ILE A 177 48.782 -3.217 -3.573 1.00 1.00 N ATOM 115 CA ILE A 177 47.723 -2.209 -3.617 1.00 1.00 C ATOM 116 C ILE A 177 48.006 -1.196 -4.716 1.00 1.00 C ATOM 117 O ILE A 177 49.116 -0.674 -4.820 1.00 1.00 O ATOM 118 CB ILE A 177 47.623 -1.501 -2.263 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.384 -2.552 -1.175 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.449 -0.509 -2.273 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.252 -1.869 0.188 1.00 1.00 C ATOM 0 H ILE A 177 49.721 -2.835 -3.458 1.00 1.00 H new ATOM 0 HA ILE A 177 46.775 -2.702 -3.832 1.00 1.00 H new ATOM 0 HB ILE A 177 48.547 -0.957 -2.068 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.480 -3.119 -1.397 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.210 -3.264 -1.157 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.386 -0.010 -1.306 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.607 0.234 -3.055 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.520 -1.046 -2.466 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.082 -2.622 0.957 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.168 -1.322 0.411 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.411 -1.175 0.167 1.00 1.00 H new ATOM 133 N ALA A 178 46.984 -0.923 -5.525 1.00 1.00 N ATOM 134 CA ALA A 178 47.113 0.033 -6.621 1.00 1.00 C ATOM 135 C ALA A 178 46.939 1.465 -6.109 1.00 1.00 C ATOM 136 O ALA A 178 45.842 1.866 -5.713 1.00 1.00 O ATOM 137 CB ALA A 178 46.069 -0.270 -7.712 1.00 1.00 C ATOM 0 H ALA A 178 46.061 -1.349 -5.442 1.00 1.00 H new ATOM 0 HA ALA A 178 48.111 -0.062 -7.048 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.173 0.448 -8.525 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.226 -1.278 -8.096 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.068 -0.195 -7.288 1.00 1.00 H new ATOM 143 N LEU A 179 48.026 2.229 -6.118 1.00 1.00 N ATOM 144 CA LEU A 179 47.979 3.611 -5.654 1.00 1.00 C ATOM 145 C LEU A 179 47.059 4.442 -6.541 1.00 1.00 C ATOM 146 O LEU A 179 46.271 5.252 -6.051 1.00 1.00 O ATOM 147 CB LEU A 179 49.385 4.211 -5.668 1.00 1.00 C ATOM 148 CG LEU A 179 50.244 3.544 -4.581 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.708 3.950 -4.779 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.770 3.963 -3.170 1.00 1.00 C ATOM 0 H LEU A 179 48.943 1.918 -6.439 1.00 1.00 H new ATOM 0 HA LEU A 179 47.589 3.622 -4.636 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.843 4.066 -6.647 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.334 5.286 -5.496 1.00 1.00 H new ATOM 0 HG LEU A 179 50.143 2.462 -4.666 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.323 3.480 -4.011 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.046 3.625 -5.763 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.798 5.034 -4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.393 3.478 -2.418 1.00 1.00 H new ATOM 0 HD22 LEU A 179 49.851 5.045 -3.065 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.732 3.661 -3.030 1.00 1.00 H new ATOM 162 N TYR A 180 47.163 4.232 -7.853 1.00 1.00 N ATOM 163 CA TYR A 180 46.339 4.959 -8.820 1.00 1.00 C ATOM 164 C TYR A 180 45.456 3.991 -9.596 1.00 1.00 C ATOM 165 O TYR A 180 45.806 2.825 -9.779 1.00 1.00 O ATOM 166 CB TYR A 180 47.233 5.729 -9.792 1.00 1.00 C ATOM 167 CG TYR A 180 48.065 6.730 -9.022 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.527 7.980 -8.692 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.372 6.406 -8.636 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.297 8.907 -7.979 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.141 7.334 -7.922 1.00 1.00 C ATOM 172 CZ TYR A 180 49.603 8.584 -7.594 1.00 1.00 C ATOM 173 OH TYR A 180 50.362 9.499 -6.891 1.00 1.00 O ATOM 0 H TYR A 180 47.810 3.564 -8.272 1.00 1.00 H new ATOM 0 HA TYR A 180 45.705 5.661 -8.279 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.881 5.039 -10.332 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.623 6.242 -10.536 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.518 8.229 -8.987 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.787 5.441 -8.889 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.883 9.872 -7.726 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.149 7.085 -7.625 1.00 1.00 H new ATOM 0 HH TYR A 180 51.244 9.116 -6.702 1.00 1.00 H new ATOM 183 N ASP A 181 44.310 4.482 -10.049 1.00 1.00 N ATOM 184 CA ASP A 181 43.385 3.651 -10.803 1.00 1.00 C ATOM 185 C ASP A 181 43.901 3.436 -12.220 1.00 1.00 C ATOM 186 O ASP A 181 43.675 4.264 -13.104 1.00 1.00 O ATOM 187 CB ASP A 181 42.012 4.325 -10.859 1.00 1.00 C ATOM 188 CG ASP A 181 40.984 3.367 -11.452 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.383 2.311 -11.914 1.00 1.00 O ATOM 190 OD2 ASP A 181 39.811 3.705 -11.435 1.00 1.00 O ATOM 0 H ASP A 181 44.002 5.444 -9.908 1.00 1.00 H new ATOM 0 HA ASP A 181 43.299 2.685 -10.306 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.705 4.627 -9.858 1.00 1.00 H new ATOM 0 HB3 ASP A 181 42.067 5.231 -11.462 1.00 1.00 H new ATOM 195 N TYR A 182 44.590 2.317 -12.434 1.00 1.00 N ATOM 196 CA TYR A 182 45.132 1.992 -13.752 1.00 1.00 C ATOM 197 C TYR A 182 44.192 1.041 -14.483 1.00 1.00 C ATOM 198 O TYR A 182 43.798 0.006 -13.942 1.00 1.00 O ATOM 199 CB TYR A 182 46.506 1.335 -13.609 1.00 1.00 C ATOM 200 CG TYR A 182 47.084 1.081 -14.976 1.00 1.00 C ATOM 201 CD1 TYR A 182 46.766 -0.098 -15.664 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.948 2.018 -15.552 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.312 -0.335 -16.929 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.492 1.782 -16.818 1.00 1.00 C ATOM 205 CZ TYR A 182 48.175 0.605 -17.507 1.00 1.00 C ATOM 206 OH TYR A 182 48.714 0.372 -18.755 1.00 1.00 O ATOM 0 H TYR A 182 44.786 1.622 -11.714 1.00 1.00 H new ATOM 0 HA TYR A 182 45.231 2.914 -14.324 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.171 1.980 -13.035 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.418 0.398 -13.060 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.100 -0.822 -15.218 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.195 2.924 -15.019 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.068 -1.243 -17.461 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.156 2.507 -17.264 1.00 1.00 H new ATOM 0 HH TYR A 182 49.290 1.124 -19.008 1.00 1.00 H new ATOM 319 N LEU A 190 45.971 -5.906 -16.287 1.00 1.00 N ATOM 320 CA LEU A 190 44.900 -6.155 -15.322 1.00 1.00 C ATOM 321 C LEU A 190 44.342 -4.834 -14.797 1.00 1.00 C ATOM 322 O LEU A 190 45.086 -3.983 -14.308 1.00 1.00 O ATOM 323 CB LEU A 190 45.433 -6.990 -14.152 1.00 1.00 C ATOM 324 CG LEU A 190 44.274 -7.409 -13.236 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.316 -8.367 -13.971 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.843 -8.107 -12.001 1.00 1.00 C ATOM 0 HA LEU A 190 44.102 -6.703 -15.822 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.947 -7.874 -14.530 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.165 -6.413 -13.586 1.00 1.00 H new ATOM 0 HG LEU A 190 43.716 -6.520 -12.943 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.502 -8.651 -13.303 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.907 -7.869 -14.850 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.860 -9.259 -14.280 1.00 1.00 H new ATOM 0 HD21 LEU A 190 44.026 -8.408 -11.345 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.406 -8.989 -12.308 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.503 -7.423 -11.468 1.00 1.00 H new ATOM 338 N ALA A 191 43.027 -4.674 -14.898 1.00 1.00 N ATOM 339 CA ALA A 191 42.375 -3.459 -14.426 1.00 1.00 C ATOM 340 C ALA A 191 42.604 -3.283 -12.928 1.00 1.00 C ATOM 341 O ALA A 191 42.145 -4.095 -12.123 1.00 1.00 O ATOM 342 CB ALA A 191 40.872 -3.528 -14.707 1.00 1.00 C ATOM 0 H ALA A 191 42.395 -5.366 -15.300 1.00 1.00 H new ATOM 0 HA ALA A 191 42.804 -2.608 -14.955 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.393 -2.616 -14.351 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.707 -3.630 -15.780 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.444 -4.388 -14.191 1.00 1.00 H new ATOM 348 N LEU A 192 43.320 -2.219 -12.562 1.00 1.00 N ATOM 349 CA LEU A 192 43.612 -1.938 -11.156 1.00 1.00 C ATOM 350 C LEU A 192 42.679 -0.854 -10.635 1.00 1.00 C ATOM 351 O LEU A 192 42.200 -0.016 -11.400 1.00 1.00 O ATOM 352 CB LEU A 192 45.058 -1.477 -11.005 1.00 1.00 C ATOM 353 CG LEU A 192 45.965 -2.360 -11.862 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.431 -1.963 -11.634 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.752 -3.838 -11.485 1.00 1.00 C ATOM 0 H LEU A 192 43.707 -1.540 -13.217 1.00 1.00 H new ATOM 0 HA LEU A 192 43.462 -2.851 -10.579 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.153 -0.435 -11.310 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.361 -1.532 -9.959 1.00 1.00 H new ATOM 0 HG LEU A 192 45.719 -2.224 -12.915 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.078 -2.593 -12.245 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.573 -0.919 -11.913 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.684 -2.095 -10.582 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.399 -4.466 -12.097 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.994 -3.984 -10.432 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.711 -4.111 -11.659 1.00 1.00 H new ATOM 367 N ARG A 193 42.421 -0.877 -9.329 1.00 1.00 N ATOM 368 CA ARG A 193 41.531 0.107 -8.704 1.00 1.00 C ATOM 369 C ARG A 193 42.240 0.760 -7.520 1.00 1.00 C ATOM 370 O ARG A 193 43.003 0.109 -6.805 1.00 1.00 O ATOM 371 CB ARG A 193 40.219 -0.578 -8.234 1.00 1.00 C ATOM 372 CG ARG A 193 40.192 -2.027 -8.709 1.00 1.00 C ATOM 373 CD ARG A 193 38.897 -2.694 -8.252 1.00 1.00 C ATOM 374 NE ARG A 193 37.755 -2.031 -8.872 1.00 1.00 N ATOM 375 CZ ARG A 193 37.325 -2.384 -10.080 1.00 1.00 C ATOM 376 NH1 ARG A 193 37.931 -3.336 -10.738 1.00 1.00 N ATOM 377 NH2 ARG A 193 36.304 -1.772 -10.613 1.00 1.00 N ATOM 0 H ARG A 193 42.812 -1.562 -8.683 1.00 1.00 H new ATOM 0 HA ARG A 193 41.277 0.874 -9.435 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.148 -0.541 -7.147 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.356 -0.041 -8.628 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.268 -2.065 -9.796 1.00 1.00 H new ATOM 0 HG3 ARG A 193 41.051 -2.567 -8.310 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.906 -3.750 -8.521 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.814 -2.642 -7.166 1.00 1.00 H new ATOM 0 HE ARG A 193 37.277 -1.283 -8.370 1.00 1.00 H new ATOM 0 HH11 ARG A 193 38.735 -3.809 -10.325 1.00 1.00 H new ATOM 0 HH12 ARG A 193 37.600 -3.606 -11.664 1.00 1.00 H new ATOM 0 HH21 ARG A 193 35.836 -1.023 -10.103 1.00 1.00 H new ATOM 0 HH22 ARG A 193 35.974 -2.043 -11.539 1.00 1.00 H new ATOM 391 N CYS A 194 41.979 2.043 -7.323 1.00 1.00 N ATOM 392 CA CYS A 194 42.596 2.778 -6.232 1.00 1.00 C ATOM 393 C CYS A 194 42.106 2.266 -4.885 1.00 1.00 C ATOM 394 O CYS A 194 40.903 2.164 -4.649 1.00 1.00 O ATOM 395 CB CYS A 194 42.246 4.256 -6.340 1.00 1.00 C ATOM 396 SG CYS A 194 43.252 5.198 -5.166 1.00 1.00 S ATOM 0 H CYS A 194 41.346 2.595 -7.903 1.00 1.00 H new ATOM 0 HA CYS A 194 43.674 2.636 -6.302 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.424 4.610 -7.355 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.187 4.407 -6.131 1.00 1.00 H new ATOM 0 HG CYS A 194 44.487 5.216 -5.570 1.00 1.00 H new ATOM 402 N ASP A 195 43.056 1.946 -4.010 1.00 1.00 N ATOM 403 CA ASP A 195 42.741 1.441 -2.668 1.00 1.00 C ATOM 404 C ASP A 195 42.526 -0.069 -2.695 1.00 1.00 C ATOM 405 O ASP A 195 42.657 -0.741 -1.672 1.00 1.00 O ATOM 406 CB ASP A 195 41.480 2.139 -2.114 1.00 1.00 C ATOM 407 CG ASP A 195 41.509 2.198 -0.585 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.268 1.449 0.009 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.762 2.990 -0.030 1.00 1.00 O ATOM 0 H ASP A 195 44.054 2.026 -4.203 1.00 1.00 H new ATOM 0 HA ASP A 195 43.586 1.661 -2.016 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.412 3.149 -2.519 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.590 1.603 -2.443 1.00 1.00 H new ATOM 414 N GLU A 196 42.199 -0.602 -3.866 1.00 1.00 N ATOM 415 CA GLU A 196 41.973 -2.029 -3.996 1.00 1.00 C ATOM 416 C GLU A 196 43.286 -2.787 -3.856 1.00 1.00 C ATOM 417 O GLU A 196 44.366 -2.224 -4.057 1.00 1.00 O ATOM 418 CB GLU A 196 41.310 -2.323 -5.350 1.00 1.00 C ATOM 419 CG GLU A 196 41.248 -3.827 -5.600 1.00 1.00 C ATOM 420 CD GLU A 196 40.523 -4.511 -4.448 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.647 -3.886 -3.875 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.860 -5.644 -4.151 1.00 1.00 O ATOM 0 H GLU A 196 42.086 -0.071 -4.729 1.00 1.00 H new ATOM 0 HA GLU A 196 41.307 -2.364 -3.201 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.304 -1.904 -5.367 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.871 -1.838 -6.149 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.731 -4.028 -6.538 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.256 -4.231 -5.699 1.00 1.00 H new ATOM 429 N GLU A 197 43.178 -4.073 -3.534 1.00 1.00 N ATOM 430 CA GLU A 197 44.347 -4.934 -3.389 1.00 1.00 C ATOM 431 C GLU A 197 44.276 -6.075 -4.403 1.00 1.00 C ATOM 432 O GLU A 197 43.193 -6.485 -4.825 1.00 1.00 O ATOM 433 CB GLU A 197 44.422 -5.498 -1.966 1.00 1.00 C ATOM 434 CG GLU A 197 43.013 -5.798 -1.482 1.00 1.00 C ATOM 435 CD GLU A 197 43.069 -6.658 -0.226 1.00 1.00 C ATOM 436 OE1 GLU A 197 43.985 -7.458 -0.118 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.195 -6.506 0.610 1.00 1.00 O ATOM 0 H GLU A 197 42.288 -4.543 -3.368 1.00 1.00 H new ATOM 0 HA GLU A 197 45.245 -4.344 -3.575 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.027 -6.405 -1.951 1.00 1.00 H new ATOM 0 HB3 GLU A 197 44.905 -4.782 -1.301 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.485 -4.868 -1.273 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.453 -6.314 -2.262 1.00 1.00 H new ATOM 444 N TYR A 198 45.445 -6.574 -4.788 1.00 1.00 N ATOM 445 CA TYR A 198 45.547 -7.665 -5.758 1.00 1.00 C ATOM 446 C TYR A 198 46.503 -8.731 -5.245 1.00 1.00 C ATOM 447 O TYR A 198 47.286 -8.485 -4.333 1.00 1.00 O ATOM 448 CB TYR A 198 46.064 -7.131 -7.092 1.00 1.00 C ATOM 449 CG TYR A 198 44.961 -6.390 -7.807 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.547 -5.136 -7.347 1.00 1.00 C ATOM 451 CD2 TYR A 198 44.358 -6.960 -8.934 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.524 -4.450 -8.011 1.00 1.00 C ATOM 453 CE2 TYR A 198 43.336 -6.271 -9.600 1.00 1.00 C ATOM 454 CZ TYR A 198 42.921 -5.017 -9.137 1.00 1.00 C ATOM 455 OH TYR A 198 41.901 -4.348 -9.781 1.00 1.00 O ATOM 0 H TYR A 198 46.344 -6.239 -4.442 1.00 1.00 H new ATOM 0 HA TYR A 198 44.557 -8.100 -5.898 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.912 -6.467 -6.924 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.422 -7.955 -7.710 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.017 -4.697 -6.479 1.00 1.00 H new ATOM 0 HD2 TYR A 198 44.679 -7.928 -9.289 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.201 -3.483 -7.654 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.869 -6.707 -10.470 1.00 1.00 H new ATOM 0 HH TYR A 198 41.808 -4.694 -10.693 1.00 1.00 H new ATOM 465 N TYR A 199 46.427 -9.914 -5.849 1.00 1.00 N ATOM 466 CA TYR A 199 47.286 -11.034 -5.466 1.00 1.00 C ATOM 467 C TYR A 199 48.585 -11.015 -6.261 1.00 1.00 C ATOM 468 O TYR A 199 48.570 -11.047 -7.487 1.00 1.00 O ATOM 469 CB TYR A 199 46.543 -12.372 -5.721 1.00 1.00 C ATOM 470 CG TYR A 199 46.200 -13.031 -4.409 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.230 -13.515 -3.599 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.868 -13.145 -4.002 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.935 -14.116 -2.376 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.563 -13.749 -2.781 1.00 1.00 C ATOM 475 CZ TYR A 199 45.598 -14.234 -1.961 1.00 1.00 C ATOM 476 OH TYR A 199 45.301 -14.822 -0.749 1.00 1.00 O ATOM 0 H TYR A 199 45.778 -10.123 -6.608 1.00 1.00 H new ATOM 0 HA TYR A 199 47.524 -10.940 -4.407 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.634 -12.189 -6.294 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.168 -13.036 -6.318 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.257 -13.423 -3.921 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.076 -12.766 -4.631 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.732 -14.490 -1.750 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.534 -13.844 -2.466 1.00 1.00 H new ATOM 0 HH TYR A 199 44.330 -14.822 -0.615 1.00 1.00 H new ATOM 486 N LEU A 200 49.702 -10.982 -5.553 1.00 1.00 N ATOM 487 CA LEU A 200 50.998 -10.976 -6.206 1.00 1.00 C ATOM 488 C LEU A 200 51.351 -12.383 -6.665 1.00 1.00 C ATOM 489 O LEU A 200 51.476 -13.298 -5.852 1.00 1.00 O ATOM 490 CB LEU A 200 52.056 -10.492 -5.211 1.00 1.00 C ATOM 491 CG LEU A 200 53.441 -10.319 -5.911 1.00 1.00 C ATOM 492 CD1 LEU A 200 54.172 -9.058 -5.392 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.304 -11.583 -5.685 1.00 1.00 C ATOM 0 H LEU A 200 49.737 -10.959 -4.534 1.00 1.00 H new ATOM 0 HA LEU A 200 50.965 -10.313 -7.070 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.744 -9.543 -4.775 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.144 -11.206 -4.392 1.00 1.00 H new ATOM 0 HG LEU A 200 53.276 -10.189 -6.981 1.00 1.00 H new ATOM 0 HD11 LEU A 200 55.134 -8.962 -5.896 1.00 1.00 H new ATOM 0 HD12 LEU A 200 53.565 -8.176 -5.596 1.00 1.00 H new ATOM 0 HD13 LEU A 200 54.333 -9.147 -4.318 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.269 -11.457 -6.175 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.457 -11.733 -4.616 1.00 1.00 H new ATOM 0 HD23 LEU A 200 53.795 -12.451 -6.104 1.00 1.00 H new ATOM 505 N LEU A 201 51.507 -12.545 -7.971 1.00 1.00 N ATOM 506 CA LEU A 201 51.849 -13.844 -8.548 1.00 1.00 C ATOM 507 C LEU A 201 53.351 -13.956 -8.779 1.00 1.00 C ATOM 508 O LEU A 201 53.992 -14.894 -8.305 1.00 1.00 O ATOM 509 CB LEU A 201 51.095 -14.023 -9.875 1.00 1.00 C ATOM 510 CG LEU A 201 49.632 -14.438 -9.595 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.713 -13.951 -10.729 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.541 -15.971 -9.479 1.00 1.00 C ATOM 0 H LEU A 201 51.403 -11.795 -8.654 1.00 1.00 H new ATOM 0 HA LEU A 201 51.556 -14.629 -7.851 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.116 -13.094 -10.444 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.587 -14.781 -10.484 1.00 1.00 H new ATOM 0 HG LEU A 201 49.310 -13.982 -8.659 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.686 -14.250 -10.519 1.00 1.00 H new ATOM 0 HD12 LEU A 201 48.767 -12.865 -10.800 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.034 -14.393 -11.672 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.509 -16.260 -9.282 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.874 -16.427 -10.412 1.00 1.00 H new ATOM 0 HD23 LEU A 201 50.176 -16.312 -8.662 1.00 1.00 H new ATOM 524 N ASP A 202 53.910 -12.998 -9.516 1.00 1.00 N ATOM 525 CA ASP A 202 55.340 -12.998 -9.811 1.00 1.00 C ATOM 526 C ASP A 202 55.953 -11.662 -9.419 1.00 1.00 C ATOM 527 O ASP A 202 55.864 -10.685 -10.163 1.00 1.00 O ATOM 528 CB ASP A 202 55.556 -13.241 -11.306 1.00 1.00 C ATOM 529 CG ASP A 202 57.010 -13.614 -11.569 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.832 -13.351 -10.707 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.280 -14.158 -12.626 1.00 1.00 O ATOM 0 H ASP A 202 53.396 -12.214 -9.918 1.00 1.00 H new ATOM 0 HA ASP A 202 55.821 -13.792 -9.240 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.899 -14.039 -11.652 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.294 -12.346 -11.870 1.00 1.00 H new ATOM 536 N SER A 203 56.578 -11.628 -8.250 1.00 1.00 N ATOM 537 CA SER A 203 57.211 -10.412 -7.759 1.00 1.00 C ATOM 538 C SER A 203 58.596 -10.283 -8.371 1.00 1.00 C ATOM 539 O SER A 203 59.084 -11.218 -9.008 1.00 1.00 O ATOM 540 CB SER A 203 57.320 -10.462 -6.230 1.00 1.00 C ATOM 541 OG SER A 203 58.676 -10.319 -5.827 1.00 1.00 O ATOM 0 H SER A 203 56.660 -12.429 -7.624 1.00 1.00 H new ATOM 0 HA SER A 203 56.608 -9.550 -8.042 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.717 -9.668 -5.789 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.922 -11.407 -5.861 1.00 1.00 H new ATOM 0 HG SER A 203 58.732 -10.351 -4.849 1.00 1.00 H new ATOM 609 N TRP A 208 57.600 -7.511 -16.024 1.00 1.00 N ATOM 610 CA TRP A 208 56.497 -6.856 -15.323 1.00 1.00 C ATOM 611 C TRP A 208 55.971 -7.736 -14.205 1.00 1.00 C ATOM 612 O TRP A 208 56.171 -8.950 -14.211 1.00 1.00 O ATOM 613 CB TRP A 208 55.375 -6.598 -16.329 1.00 1.00 C ATOM 614 CG TRP A 208 55.715 -5.420 -17.182 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.817 -5.309 -17.957 1.00 1.00 C ATOM 616 CD2 TRP A 208 54.957 -4.196 -17.370 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.798 -4.083 -18.586 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.667 -3.361 -18.262 1.00 1.00 C ATOM 619 CE3 TRP A 208 53.737 -3.733 -16.853 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.180 -2.105 -18.625 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.244 -2.475 -17.220 1.00 1.00 C ATOM 622 CH2 TRP A 208 53.962 -1.663 -18.102 1.00 1.00 C ATOM 0 HA TRP A 208 56.852 -5.922 -14.888 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.226 -7.479 -16.954 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.438 -6.418 -15.803 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.587 -6.059 -18.066 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.530 -3.750 -19.214 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.175 -4.351 -16.168 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.740 -1.480 -19.305 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 52.303 -2.130 -16.819 1.00 1.00 H new ATOM 0 HH2 TRP A 208 53.575 -0.694 -18.380 1.00 1.00 H new ATOM 633 N TRP A 209 55.288 -7.113 -13.256 1.00 1.00 N ATOM 634 CA TRP A 209 54.727 -7.834 -12.123 1.00 1.00 C ATOM 635 C TRP A 209 53.368 -8.406 -12.496 1.00 1.00 C ATOM 636 O TRP A 209 52.462 -7.694 -12.930 1.00 1.00 O ATOM 637 CB TRP A 209 54.592 -6.872 -10.919 1.00 1.00 C ATOM 638 CG TRP A 209 55.735 -7.024 -9.952 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.981 -7.479 -10.242 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.748 -6.724 -8.529 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.740 -7.459 -9.097 1.00 1.00 N ATOM 642 CE2 TRP A 209 57.031 -7.012 -8.018 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.781 -6.236 -7.640 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.352 -6.826 -6.684 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.099 -6.045 -6.285 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.385 -6.343 -5.810 1.00 1.00 C ATOM 0 H TRP A 209 55.109 -6.109 -13.248 1.00 1.00 H new ATOM 0 HA TRP A 209 55.388 -8.657 -11.851 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.554 -5.843 -11.278 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.651 -7.065 -10.403 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.320 -7.804 -11.215 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.718 -7.744 -9.057 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.788 -6.006 -7.998 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.345 -7.054 -6.326 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.350 -5.667 -5.605 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.623 -6.197 -4.767 1.00 1.00 H new ATOM 657 N ARG A 210 53.252 -9.712 -12.308 1.00 1.00 N ATOM 658 CA ARG A 210 52.022 -10.421 -12.603 1.00 1.00 C ATOM 659 C ARG A 210 51.128 -10.434 -11.382 1.00 1.00 C ATOM 660 O ARG A 210 51.555 -10.826 -10.296 1.00 1.00 O ATOM 661 CB ARG A 210 52.336 -11.862 -13.015 1.00 1.00 C ATOM 662 CG ARG A 210 52.939 -11.875 -14.417 1.00 1.00 C ATOM 663 CD ARG A 210 53.388 -13.295 -14.764 1.00 1.00 C ATOM 664 NE ARG A 210 53.912 -13.336 -16.125 1.00 1.00 N ATOM 665 CZ ARG A 210 54.450 -14.444 -16.625 1.00 1.00 C ATOM 666 NH1 ARG A 210 54.517 -15.523 -15.896 1.00 1.00 N ATOM 667 NH2 ARG A 210 54.909 -14.452 -17.848 1.00 1.00 N ATOM 0 H ARG A 210 54.002 -10.303 -11.950 1.00 1.00 H new ATOM 0 HA ARG A 210 51.512 -9.913 -13.421 1.00 1.00 H new ATOM 0 HB2 ARG A 210 53.031 -12.310 -12.305 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.427 -12.463 -12.994 1.00 1.00 H new ATOM 0 HG2 ARG A 210 52.205 -11.526 -15.144 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.787 -11.191 -14.467 1.00 1.00 H new ATOM 0 HD2 ARG A 210 54.153 -13.625 -14.061 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.549 -13.984 -14.668 1.00 1.00 H new ATOM 0 HE ARG A 210 53.865 -12.498 -16.704 1.00 1.00 H new ATOM 0 HH11 ARG A 210 54.157 -15.517 -14.942 1.00 1.00 H new ATOM 0 HH12 ARG A 210 54.930 -16.373 -16.280 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.854 -13.608 -18.419 1.00 1.00 H new ATOM 0 HH22 ARG A 210 55.322 -15.302 -18.232 1.00 1.00 H new ATOM 681 N VAL A 211 49.892 -9.991 -11.557 1.00 1.00 N ATOM 682 CA VAL A 211 48.937 -9.951 -10.456 1.00 1.00 C ATOM 683 C VAL A 211 47.598 -10.519 -10.899 1.00 1.00 C ATOM 684 O VAL A 211 47.324 -10.614 -12.096 1.00 1.00 O ATOM 685 CB VAL A 211 48.750 -8.513 -9.991 1.00 1.00 C ATOM 686 CG1 VAL A 211 50.039 -8.009 -9.344 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.409 -7.632 -11.192 1.00 1.00 C ATOM 0 H VAL A 211 49.526 -9.655 -12.448 1.00 1.00 H new ATOM 0 HA VAL A 211 49.323 -10.554 -9.634 1.00 1.00 H new ATOM 0 HB VAL A 211 47.940 -8.472 -9.263 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.901 -6.980 -9.013 1.00 1.00 H new ATOM 0 HG12 VAL A 211 50.286 -8.636 -8.487 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.851 -8.051 -10.070 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.275 -6.602 -10.861 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.220 -7.677 -11.918 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.488 -7.988 -11.654 1.00 1.00 H new ATOM 697 N GLN A 212 46.765 -10.893 -9.931 1.00 1.00 N ATOM 698 CA GLN A 212 45.448 -11.450 -10.232 1.00 1.00 C ATOM 699 C GLN A 212 44.428 -11.015 -9.189 1.00 1.00 C ATOM 700 O GLN A 212 44.739 -10.915 -8.005 1.00 1.00 O ATOM 701 CB GLN A 212 45.533 -12.982 -10.291 1.00 1.00 C ATOM 702 CG GLN A 212 44.130 -13.598 -10.242 1.00 1.00 C ATOM 703 CD GLN A 212 44.176 -15.055 -10.687 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.148 -15.490 -11.307 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.172 -15.840 -10.409 1.00 1.00 N ATOM 0 H GLN A 212 46.977 -10.821 -8.936 1.00 1.00 H new ATOM 0 HA GLN A 212 45.122 -11.074 -11.202 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.040 -13.289 -11.206 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.129 -13.352 -9.456 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.732 -13.532 -9.229 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.455 -13.035 -10.887 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.368 -15.478 -9.896 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.191 -16.816 -10.705 1.00 1.00 H new ATOM 714 N ASP A 213 43.199 -10.780 -9.643 1.00 1.00 N ATOM 715 CA ASP A 213 42.120 -10.382 -8.748 1.00 1.00 C ATOM 716 C ASP A 213 41.315 -11.600 -8.327 1.00 1.00 C ATOM 717 O ASP A 213 41.332 -12.632 -8.996 1.00 1.00 O ATOM 718 CB ASP A 213 41.199 -9.384 -9.442 1.00 1.00 C ATOM 719 CG ASP A 213 40.168 -8.854 -8.454 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.573 -8.266 -7.464 1.00 1.00 O ATOM 721 OD2 ASP A 213 38.988 -9.042 -8.700 1.00 1.00 O ATOM 0 H ASP A 213 42.928 -10.859 -10.623 1.00 1.00 H new ATOM 0 HA ASP A 213 42.558 -9.914 -7.866 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.784 -8.559 -9.848 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.697 -9.863 -10.282 1.00 1.00 H new ATOM 726 N LYS A 214 40.606 -11.464 -7.218 1.00 1.00 N ATOM 727 CA LYS A 214 39.786 -12.555 -6.706 1.00 1.00 C ATOM 728 C LYS A 214 38.656 -12.879 -7.679 1.00 1.00 C ATOM 729 O LYS A 214 37.903 -13.832 -7.475 1.00 1.00 O ATOM 730 CB LYS A 214 39.198 -12.177 -5.345 1.00 1.00 C ATOM 731 CG LYS A 214 40.300 -11.567 -4.445 1.00 1.00 C ATOM 732 CD LYS A 214 40.139 -10.050 -4.378 1.00 1.00 C ATOM 733 CE LYS A 214 41.382 -9.432 -3.739 1.00 1.00 C ATOM 734 NZ LYS A 214 41.173 -7.968 -3.583 1.00 1.00 N ATOM 0 H LYS A 214 40.580 -10.613 -6.656 1.00 1.00 H new ATOM 0 HA LYS A 214 40.418 -13.436 -6.594 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.386 -11.462 -5.476 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.772 -13.058 -4.866 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.239 -11.992 -3.443 1.00 1.00 H new ATOM 0 HG3 LYS A 214 41.284 -11.819 -4.839 1.00 1.00 H new ATOM 0 HD2 LYS A 214 39.992 -9.645 -5.379 1.00 1.00 H new ATOM 0 HD3 LYS A 214 39.253 -9.793 -3.797 1.00 1.00 H new ATOM 0 HE2 LYS A 214 41.573 -9.890 -2.768 1.00 1.00 H new ATOM 0 HE3 LYS A 214 42.258 -9.623 -4.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.006 -7.458 -3.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.331 -7.678 -4.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 41.036 -7.742 -2.577 1.00 1.00 H new ATOM 748 N ASN A 215 38.538 -12.070 -8.730 1.00 1.00 N ATOM 749 CA ASN A 215 37.488 -12.269 -9.727 1.00 1.00 C ATOM 750 C ASN A 215 37.946 -13.244 -10.804 1.00 1.00 C ATOM 751 O ASN A 215 37.176 -13.610 -11.692 1.00 1.00 O ATOM 752 CB ASN A 215 37.122 -10.930 -10.370 1.00 1.00 C ATOM 753 CG ASN A 215 36.450 -10.024 -9.343 1.00 1.00 C ATOM 754 OD1 ASN A 215 36.113 -10.510 -8.177 1.00 1.00 O flip ATOM 755 ND2 ASN A 215 36.233 -8.842 -9.604 1.00 1.00 N flip ATOM 0 H ASN A 215 39.152 -11.276 -8.913 1.00 1.00 H new ATOM 0 HA ASN A 215 36.613 -12.686 -9.228 1.00 1.00 H new ATOM 0 HB2 ASN A 215 38.018 -10.448 -10.761 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.453 -11.094 -11.215 1.00 1.00 H new ATOM 0 HD21 ASN A 215 36.496 -8.464 -10.514 1.00 1.00 H new ATOM 0 HD22 ASN A 215 35.790 -8.240 -8.910 1.00 1.00 H new ATOM 762 N GLY A 216 39.207 -13.662 -10.723 1.00 1.00 N ATOM 763 CA GLY A 216 39.762 -14.598 -11.698 1.00 1.00 C ATOM 764 C GLY A 216 40.408 -13.862 -12.867 1.00 1.00 C ATOM 765 O GLY A 216 40.687 -14.459 -13.906 1.00 1.00 O ATOM 0 H GLY A 216 39.861 -13.370 -9.997 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.502 -15.235 -11.213 1.00 1.00 H new ATOM 0 HA3 GLY A 216 38.972 -15.251 -12.069 1.00 1.00 H new ATOM 769 N HIS A 217 40.633 -12.559 -12.699 1.00 1.00 N ATOM 770 CA HIS A 217 41.241 -11.750 -13.753 1.00 1.00 C ATOM 771 C HIS A 217 42.735 -11.587 -13.500 1.00 1.00 C ATOM 772 O HIS A 217 43.151 -11.230 -12.399 1.00 1.00 O ATOM 773 CB HIS A 217 40.582 -10.372 -13.792 1.00 1.00 C ATOM 774 CG HIS A 217 39.128 -10.524 -14.128 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.238 -9.465 -14.047 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.394 -11.602 -14.551 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.029 -9.925 -14.414 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.067 -11.221 -14.732 1.00 1.00 N ATOM 0 H HIS A 217 40.405 -12.044 -11.848 1.00 1.00 H new ATOM 0 HA HIS A 217 41.094 -12.254 -14.708 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.694 -9.876 -12.828 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.074 -9.742 -14.533 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.785 -12.595 -14.718 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.135 -9.319 -14.447 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.291 -11.806 -15.041 1.00 1.00 H new ATOM 786 N GLU A 218 43.533 -11.866 -14.528 1.00 1.00 N ATOM 787 CA GLU A 218 44.991 -11.766 -14.426 1.00 1.00 C ATOM 788 C GLU A 218 45.559 -10.860 -15.513 1.00 1.00 C ATOM 789 O GLU A 218 44.995 -10.752 -16.602 1.00 1.00 O ATOM 790 CB GLU A 218 45.612 -13.157 -14.545 1.00 1.00 C ATOM 791 CG GLU A 218 45.020 -13.880 -15.757 1.00 1.00 C ATOM 792 CD GLU A 218 45.700 -15.232 -15.942 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.883 -15.321 -15.655 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.029 -16.157 -16.369 1.00 1.00 O ATOM 0 H GLU A 218 43.196 -12.164 -15.444 1.00 1.00 H new ATOM 0 HA GLU A 218 45.235 -11.333 -13.456 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.694 -13.076 -14.650 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.422 -13.730 -13.638 1.00 1.00 H new ATOM 0 HG2 GLU A 218 43.948 -14.019 -15.620 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.151 -13.273 -16.653 1.00 1.00 H new ATOM 801 N GLY A 219 46.690 -10.225 -15.213 1.00 1.00 N ATOM 802 CA GLY A 219 47.347 -9.346 -16.173 1.00 1.00 C ATOM 803 C GLY A 219 48.516 -8.616 -15.520 1.00 1.00 C ATOM 804 O GLY A 219 48.603 -8.538 -14.290 1.00 1.00 O ATOM 0 H GLY A 219 47.168 -10.303 -14.315 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.704 -9.928 -17.022 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.630 -8.622 -16.561 1.00 1.00 H new ATOM 808 N TYR A 220 49.412 -8.095 -16.345 1.00 1.00 N ATOM 809 CA TYR A 220 50.574 -7.380 -15.847 1.00 1.00 C ATOM 810 C TYR A 220 50.149 -6.066 -15.228 1.00 1.00 C ATOM 811 O TYR A 220 49.272 -5.382 -15.752 1.00 1.00 O ATOM 812 CB TYR A 220 51.532 -7.096 -17.003 1.00 1.00 C ATOM 813 CG TYR A 220 52.101 -8.399 -17.507 1.00 1.00 C ATOM 814 CD1 TYR A 220 53.121 -9.041 -16.795 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.603 -8.969 -18.685 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.642 -10.255 -17.261 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.125 -10.180 -19.151 1.00 1.00 C ATOM 818 CZ TYR A 220 53.144 -10.824 -18.440 1.00 1.00 C ATOM 819 OH TYR A 220 53.657 -12.018 -18.900 1.00 1.00 O ATOM 0 H TYR A 220 49.355 -8.155 -17.362 1.00 1.00 H new ATOM 0 HA TYR A 220 51.069 -7.993 -15.094 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.008 -6.579 -17.807 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.336 -6.438 -16.672 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.506 -8.601 -15.887 1.00 1.00 H new ATOM 0 HD2 TYR A 220 50.816 -8.474 -19.234 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.428 -10.752 -16.711 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.741 -10.619 -20.060 1.00 1.00 H new ATOM 0 HH TYR A 220 53.200 -12.273 -19.729 1.00 1.00 H new ATOM 829 N ALA A 221 50.774 -5.710 -14.110 1.00 1.00 N ATOM 830 CA ALA A 221 50.449 -4.460 -13.428 1.00 1.00 C ATOM 831 C ALA A 221 51.726 -3.708 -13.031 1.00 1.00 C ATOM 832 O ALA A 221 52.590 -4.275 -12.365 1.00 1.00 O ATOM 833 CB ALA A 221 49.637 -4.748 -12.178 1.00 1.00 C ATOM 0 H ALA A 221 51.503 -6.263 -13.659 1.00 1.00 H new ATOM 0 HA ALA A 221 49.870 -3.841 -14.113 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.399 -3.811 -11.675 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.713 -5.257 -12.453 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.215 -5.383 -11.507 1.00 1.00 H new ATOM 839 N PRO A 222 51.868 -2.451 -13.406 1.00 1.00 N ATOM 840 CA PRO A 222 53.075 -1.654 -13.041 1.00 1.00 C ATOM 841 C PRO A 222 53.418 -1.775 -11.549 1.00 1.00 C ATOM 842 O PRO A 222 52.652 -1.334 -10.694 1.00 1.00 O ATOM 843 CB PRO A 222 52.681 -0.210 -13.392 1.00 1.00 C ATOM 844 CG PRO A 222 51.608 -0.314 -14.429 1.00 1.00 C ATOM 845 CD PRO A 222 50.910 -1.658 -14.206 1.00 1.00 C ATOM 0 HA PRO A 222 53.965 -1.999 -13.568 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.321 0.321 -12.511 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.538 0.346 -13.772 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.900 0.510 -14.337 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.032 -0.260 -15.432 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.964 -1.530 -13.679 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.684 -2.148 -15.153 1.00 1.00 H new ATOM 853 N SER A 223 54.577 -2.357 -11.260 1.00 1.00 N ATOM 854 CA SER A 223 55.040 -2.532 -9.877 1.00 1.00 C ATOM 855 C SER A 223 55.359 -1.182 -9.238 1.00 1.00 C ATOM 856 O SER A 223 55.552 -1.081 -8.026 1.00 1.00 O ATOM 857 CB SER A 223 56.295 -3.404 -9.850 1.00 1.00 C ATOM 858 OG SER A 223 57.345 -2.733 -10.534 1.00 1.00 O ATOM 0 H SER A 223 55.220 -2.719 -11.965 1.00 1.00 H new ATOM 0 HA SER A 223 54.242 -3.015 -9.313 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.588 -3.609 -8.820 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.094 -4.366 -10.321 1.00 1.00 H new ATOM 0 HG SER A 223 58.153 -3.288 -10.518 1.00 1.00 H new ATOM 864 N SER A 224 55.397 -0.147 -10.069 1.00 1.00 N ATOM 865 CA SER A 224 55.682 1.208 -9.590 1.00 1.00 C ATOM 866 C SER A 224 54.422 1.899 -9.063 1.00 1.00 C ATOM 867 O SER A 224 54.480 2.649 -8.090 1.00 1.00 O ATOM 868 CB SER A 224 56.275 2.046 -10.714 1.00 1.00 C ATOM 869 OG SER A 224 57.614 1.636 -10.945 1.00 1.00 O ATOM 0 H SER A 224 55.235 -0.215 -11.074 1.00 1.00 H new ATOM 0 HA SER A 224 56.396 1.120 -8.771 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.684 1.928 -11.622 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.246 3.103 -10.450 1.00 1.00 H new ATOM 0 HG SER A 224 58.000 2.172 -11.669 1.00 1.00 H new ATOM 875 N TYR A 225 53.292 1.663 -9.726 1.00 1.00 N ATOM 876 CA TYR A 225 52.034 2.297 -9.330 1.00 1.00 C ATOM 877 C TYR A 225 51.353 1.496 -8.233 1.00 1.00 C ATOM 878 O TYR A 225 50.151 1.631 -8.003 1.00 1.00 O ATOM 879 CB TYR A 225 51.099 2.399 -10.534 1.00 1.00 C ATOM 880 CG TYR A 225 51.645 3.416 -11.518 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.850 3.168 -12.197 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.954 4.613 -11.743 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.355 4.114 -13.098 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.461 5.558 -12.645 1.00 1.00 C ATOM 885 CZ TYR A 225 52.661 5.309 -13.321 1.00 1.00 C ATOM 886 OH TYR A 225 53.160 6.242 -14.207 1.00 1.00 O ATOM 0 H TYR A 225 53.220 1.043 -10.533 1.00 1.00 H new ATOM 0 HA TYR A 225 52.258 3.295 -8.954 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.004 1.426 -11.016 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.101 2.693 -10.208 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.387 2.247 -12.024 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.029 4.808 -11.221 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.280 3.921 -13.621 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.925 6.479 -12.819 1.00 1.00 H new ATOM 0 HH TYR A 225 52.556 7.013 -14.245 1.00 1.00 H new ATOM 896 N LEU A 226 52.135 0.662 -7.554 1.00 1.00 N ATOM 897 CA LEU A 226 51.607 -0.157 -6.469 1.00 1.00 C ATOM 898 C LEU A 226 52.693 -0.460 -5.449 1.00 1.00 C ATOM 899 O LEU A 226 53.866 -0.172 -5.679 1.00 1.00 O ATOM 900 CB LEU A 226 51.040 -1.456 -7.021 1.00 1.00 C ATOM 901 CG LEU A 226 52.129 -2.226 -7.792 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.119 -2.936 -6.835 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.446 -3.237 -8.725 1.00 1.00 C ATOM 0 H LEU A 226 53.131 0.536 -7.735 1.00 1.00 H new ATOM 0 HA LEU A 226 50.810 0.400 -5.975 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.658 -2.070 -6.206 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.199 -1.243 -7.681 1.00 1.00 H new ATOM 0 HG LEU A 226 52.717 -1.519 -8.378 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.871 -3.467 -7.418 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.607 -2.195 -6.202 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.576 -3.645 -6.211 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.204 -3.791 -9.279 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.848 -3.931 -8.134 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.800 -2.707 -9.425 1.00 1.00 H new ATOM 915 N VAL A 227 52.297 -1.059 -4.329 1.00 1.00 N ATOM 916 CA VAL A 227 53.255 -1.416 -3.281 1.00 1.00 C ATOM 917 C VAL A 227 52.881 -2.748 -2.637 1.00 1.00 C ATOM 918 O VAL A 227 51.720 -3.158 -2.669 1.00 1.00 O ATOM 919 CB VAL A 227 53.298 -0.330 -2.215 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.380 -0.666 -1.190 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.616 1.016 -2.869 1.00 1.00 C ATOM 0 H VAL A 227 51.329 -1.306 -4.123 1.00 1.00 H new ATOM 0 HA VAL A 227 54.239 -1.511 -3.740 1.00 1.00 H new ATOM 0 HB VAL A 227 52.330 -0.272 -1.717 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.412 0.111 -0.426 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.154 -1.625 -0.723 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.348 -0.724 -1.688 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.647 1.793 -2.105 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.584 0.959 -3.368 1.00 1.00 H new ATOM 0 HG23 VAL A 227 52.845 1.256 -3.601 1.00 1.00 H new ATOM 931 N GLU A 228 53.870 -3.418 -2.048 1.00 1.00 N ATOM 932 CA GLU A 228 53.625 -4.699 -1.395 1.00 1.00 C ATOM 933 C GLU A 228 52.772 -4.521 -0.153 1.00 1.00 C ATOM 934 O GLU A 228 53.029 -3.646 0.675 1.00 1.00 O ATOM 935 CB GLU A 228 54.948 -5.363 -1.010 1.00 1.00 C ATOM 936 CG GLU A 228 55.638 -5.872 -2.268 1.00 1.00 C ATOM 937 CD GLU A 228 56.974 -6.516 -1.904 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.277 -6.574 -0.722 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.673 -6.940 -2.807 1.00 1.00 O ATOM 0 H GLU A 228 54.838 -3.098 -2.010 1.00 1.00 H new ATOM 0 HA GLU A 228 53.091 -5.335 -2.101 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.589 -4.650 -0.492 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.768 -6.188 -0.321 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.001 -6.597 -2.775 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.799 -5.048 -2.964 1.00 1.00 H new ATOM 946 N LYS A 229 51.754 -5.365 -0.026 1.00 1.00 N ATOM 947 CA LYS A 229 50.861 -5.304 1.130 1.00 1.00 C ATOM 948 C LYS A 229 51.454 -6.074 2.305 1.00 1.00 C ATOM 949 O LYS A 229 51.356 -5.647 3.455 1.00 1.00 O ATOM 950 CB LYS A 229 49.484 -5.877 0.780 1.00 1.00 C ATOM 951 CG LYS A 229 48.531 -5.667 1.957 1.00 1.00 C ATOM 952 CD LYS A 229 47.130 -6.118 1.551 1.00 1.00 C ATOM 953 CE LYS A 229 46.168 -5.928 2.726 1.00 1.00 C ATOM 954 NZ LYS A 229 44.795 -6.348 2.321 1.00 1.00 N ATOM 0 H LYS A 229 51.526 -6.094 -0.702 1.00 1.00 H new ATOM 0 HA LYS A 229 50.746 -4.258 1.413 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.091 -5.389 -0.112 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.568 -6.939 0.551 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.872 -6.234 2.823 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.518 -4.617 2.248 1.00 1.00 H new ATOM 0 HD2 LYS A 229 46.787 -5.543 0.691 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.148 -7.165 1.248 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.502 -6.516 3.581 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.162 -4.884 3.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.368 -6.916 3.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.211 -5.505 2.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.848 -6.916 1.451 1.00 1.00 H new