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 -113:sc= 0.13 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 40:sc= 0.902 USER MOD Single : A 198 TYR OH : rot 130:sc= 0.216 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 64:sc= 1.2 USER MOD Single : A 212 GLN : amide:sc= -0.796 K(o=-0.8,f=-5!) USER MOD Single : A 214 LYS NZ :NH3+ -120:sc= -1.21! (180deg=-3.78!) USER MOD Single : A 215 ASN :FLIP amide:sc= -0.884 F(o=-2.5!,f=-0.88) USER MOD Single : A 217 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.15) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 131:sc= 2.03 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+ 158:sc= -0.245 (180deg=-0.789) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.365 -12.450 -1.943 1.00 1.00 N ATOM 66 CA THR A 174 51.725 -11.411 -1.127 1.00 1.00 C ATOM 67 C THR A 174 50.685 -10.674 -1.965 1.00 1.00 C ATOM 68 O THR A 174 50.390 -11.070 -3.092 1.00 1.00 O ATOM 69 CB THR A 174 52.757 -10.385 -0.634 1.00 1.00 C ATOM 70 OG1 THR A 174 52.145 -9.492 0.282 1.00 1.00 O ATOM 71 CG2 THR A 174 53.300 -9.590 -1.813 1.00 1.00 C ATOM 0 HA THR A 174 51.259 -11.896 -0.269 1.00 1.00 H new ATOM 0 HB THR A 174 53.573 -10.914 -0.143 1.00 1.00 H new ATOM 0 HG1 THR A 174 52.112 -8.594 -0.109 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.031 -8.864 -1.457 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.777 -10.268 -2.520 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.481 -9.067 -2.307 1.00 1.00 H new ATOM 79 N LEU A 175 50.156 -9.580 -1.416 1.00 1.00 N ATOM 80 CA LEU A 175 49.175 -8.761 -2.124 1.00 1.00 C ATOM 81 C LEU A 175 49.712 -7.342 -2.275 1.00 1.00 C ATOM 82 O LEU A 175 50.568 -6.906 -1.506 1.00 1.00 O ATOM 83 CB LEU A 175 47.839 -8.733 -1.369 1.00 1.00 C ATOM 84 CG LEU A 175 47.379 -10.176 -1.041 1.00 1.00 C ATOM 85 CD1 LEU A 175 47.850 -10.575 0.371 1.00 1.00 C ATOM 86 CD2 LEU A 175 45.845 -10.260 -1.127 1.00 1.00 C ATOM 0 H LEU A 175 50.391 -9.242 -0.483 1.00 1.00 H new ATOM 0 HA LEU A 175 49.003 -9.197 -3.108 1.00 1.00 H new ATOM 0 HB2 LEU A 175 47.945 -8.159 -0.448 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.083 -8.231 -1.972 1.00 1.00 H new ATOM 0 HG LEU A 175 47.818 -10.864 -1.763 1.00 1.00 H new ATOM 0 HD11 LEU A 175 47.521 -11.591 0.591 1.00 1.00 H new ATOM 0 HD12 LEU A 175 48.938 -10.528 0.419 1.00 1.00 H new ATOM 0 HD13 LEU A 175 47.425 -9.889 1.104 1.00 1.00 H new ATOM 0 HD21 LEU A 175 45.523 -11.275 -0.896 1.00 1.00 H new ATOM 0 HD22 LEU A 175 45.402 -9.567 -0.412 1.00 1.00 H new ATOM 0 HD23 LEU A 175 45.522 -9.997 -2.134 1.00 1.00 H new ATOM 98 N VAL A 176 49.207 -6.625 -3.274 1.00 1.00 N ATOM 99 CA VAL A 176 49.643 -5.252 -3.532 1.00 1.00 C ATOM 100 C VAL A 176 48.435 -4.343 -3.630 1.00 1.00 C ATOM 101 O VAL A 176 47.323 -4.814 -3.823 1.00 1.00 O ATOM 102 CB VAL A 176 50.437 -5.197 -4.843 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.860 -5.704 -4.598 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.758 -6.084 -5.890 1.00 1.00 C ATOM 0 H VAL A 176 48.496 -6.969 -3.919 1.00 1.00 H new ATOM 0 HA VAL A 176 50.280 -4.919 -2.713 1.00 1.00 H new ATOM 0 HB VAL A 176 50.471 -4.169 -5.203 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.425 -5.665 -5.529 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.347 -5.076 -3.852 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.823 -6.732 -4.238 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.323 -6.045 -6.822 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.724 -7.112 -5.529 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.743 -5.728 -6.066 1.00 1.00 H new ATOM 114 N ILE A 177 48.665 -3.037 -3.486 1.00 1.00 N ATOM 115 CA ILE A 177 47.583 -2.056 -3.547 1.00 1.00 C ATOM 116 C ILE A 177 47.875 -1.018 -4.622 1.00 1.00 C ATOM 117 O ILE A 177 48.972 -0.468 -4.674 1.00 1.00 O ATOM 118 CB ILE A 177 47.444 -1.365 -2.191 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.290 -2.436 -1.107 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.201 -0.464 -2.191 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.044 -1.772 0.250 1.00 1.00 C ATOM 0 H ILE A 177 49.589 -2.636 -3.327 1.00 1.00 H new ATOM 0 HA ILE A 177 46.653 -2.568 -3.794 1.00 1.00 H new ATOM 0 HB ILE A 177 48.327 -0.756 -1.997 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.460 -3.098 -1.353 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.188 -3.053 -1.063 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.107 0.026 -1.222 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.299 0.291 -2.971 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.314 -1.068 -2.380 1.00 1.00 H new ATOM 0 HD11 ILE A 177 46.935 -2.540 1.016 1.00 1.00 H new ATOM 0 HD12 ILE A 177 47.888 -1.128 0.498 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.133 -1.175 0.203 1.00 1.00 H new ATOM 133 N ALA A 178 46.880 -0.754 -5.465 1.00 1.00 N ATOM 134 CA ALA A 178 47.033 0.228 -6.536 1.00 1.00 C ATOM 135 C ALA A 178 46.862 1.651 -5.998 1.00 1.00 C ATOM 136 O ALA A 178 45.793 2.015 -5.508 1.00 1.00 O ATOM 137 CB ALA A 178 46.001 -0.043 -7.646 1.00 1.00 C ATOM 0 H ALA A 178 45.965 -1.203 -5.428 1.00 1.00 H new ATOM 0 HA ALA A 178 48.038 0.136 -6.948 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.120 0.693 -8.441 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.156 -1.043 -8.051 1.00 1.00 H new ATOM 0 HB3 ALA A 178 44.995 0.029 -7.233 1.00 1.00 H new ATOM 143 N LEU A 179 47.920 2.447 -6.096 1.00 1.00 N ATOM 144 CA LEU A 179 47.870 3.825 -5.619 1.00 1.00 C ATOM 145 C LEU A 179 46.867 4.639 -6.427 1.00 1.00 C ATOM 146 O LEU A 179 46.114 5.442 -5.875 1.00 1.00 O ATOM 147 CB LEU A 179 49.256 4.460 -5.726 1.00 1.00 C ATOM 148 CG LEU A 179 50.210 3.794 -4.722 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.642 4.253 -5.009 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.822 4.158 -3.271 1.00 1.00 C ATOM 0 H LEU A 179 48.815 2.167 -6.497 1.00 1.00 H new ATOM 0 HA LEU A 179 47.552 3.819 -4.576 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.642 4.346 -6.739 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.193 5.530 -5.527 1.00 1.00 H new ATOM 0 HG LEU A 179 50.139 2.712 -4.832 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.324 3.784 -4.300 1.00 1.00 H new ATOM 0 HD12 LEU A 179 51.920 3.966 -6.023 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.704 5.337 -4.909 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.511 3.675 -2.578 1.00 1.00 H new ATOM 0 HD22 LEU A 179 49.874 5.239 -3.141 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.807 3.817 -3.069 1.00 1.00 H new ATOM 162 N TYR A 180 46.863 4.429 -7.743 1.00 1.00 N ATOM 163 CA TYR A 180 45.953 5.149 -8.634 1.00 1.00 C ATOM 164 C TYR A 180 45.187 4.172 -9.517 1.00 1.00 C ATOM 165 O TYR A 180 45.626 3.044 -9.740 1.00 1.00 O ATOM 166 CB TYR A 180 46.748 6.117 -9.512 1.00 1.00 C ATOM 167 CG TYR A 180 47.516 7.076 -8.633 1.00 1.00 C ATOM 168 CD1 TYR A 180 46.863 8.167 -8.046 1.00 1.00 C ATOM 169 CD2 TYR A 180 48.883 6.874 -8.406 1.00 1.00 C ATOM 170 CE1 TYR A 180 47.577 9.055 -7.232 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.597 7.762 -7.592 1.00 1.00 C ATOM 172 CZ TYR A 180 48.944 8.852 -7.004 1.00 1.00 C ATOM 173 OH TYR A 180 49.648 9.729 -6.203 1.00 1.00 O ATOM 0 H TYR A 180 47.479 3.767 -8.215 1.00 1.00 H new ATOM 0 HA TYR A 180 45.240 5.707 -8.027 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.435 5.564 -10.153 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.074 6.668 -10.168 1.00 1.00 H new ATOM 0 HD1 TYR A 180 45.809 8.323 -8.221 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.387 6.033 -8.859 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.073 9.897 -6.780 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.651 7.606 -7.418 1.00 1.00 H new ATOM 0 HH TYR A 180 50.584 9.443 -6.148 1.00 1.00 H new ATOM 183 N ASP A 181 44.040 4.615 -10.017 1.00 1.00 N ATOM 184 CA ASP A 181 43.221 3.773 -10.876 1.00 1.00 C ATOM 185 C ASP A 181 43.862 3.631 -12.249 1.00 1.00 C ATOM 186 O ASP A 181 43.682 4.484 -13.118 1.00 1.00 O ATOM 187 CB ASP A 181 41.828 4.387 -11.031 1.00 1.00 C ATOM 188 CG ASP A 181 41.078 4.325 -9.707 1.00 1.00 C ATOM 189 OD1 ASP A 181 40.663 3.240 -9.335 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.932 5.363 -9.082 1.00 1.00 O ATOM 0 H ASP A 181 43.659 5.545 -9.844 1.00 1.00 H new ATOM 0 HA ASP A 181 43.139 2.788 -10.417 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.913 5.422 -11.361 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.270 3.852 -11.799 1.00 1.00 H new ATOM 195 N TYR A 182 44.613 2.548 -12.445 1.00 1.00 N ATOM 196 CA TYR A 182 45.274 2.304 -13.725 1.00 1.00 C ATOM 197 C TYR A 182 44.499 1.267 -14.529 1.00 1.00 C ATOM 198 O TYR A 182 44.645 0.065 -14.312 1.00 1.00 O ATOM 199 CB TYR A 182 46.697 1.792 -13.484 1.00 1.00 C ATOM 200 CG TYR A 182 47.404 1.635 -14.805 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.921 2.761 -15.454 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.546 0.367 -15.380 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.583 2.622 -16.678 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.209 0.226 -16.605 1.00 1.00 C ATOM 205 CZ TYR A 182 48.728 1.353 -17.254 1.00 1.00 C ATOM 206 OH TYR A 182 49.380 1.214 -18.461 1.00 1.00 O ATOM 0 H TYR A 182 44.778 1.831 -11.739 1.00 1.00 H new ATOM 0 HA TYR A 182 45.309 3.240 -14.283 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.243 2.489 -12.848 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.668 0.837 -12.959 1.00 1.00 H new ATOM 0 HD1 TYR A 182 47.809 3.739 -15.009 1.00 1.00 H new ATOM 0 HD2 TYR A 182 47.145 -0.502 -14.879 1.00 1.00 H new ATOM 0 HE1 TYR A 182 48.982 3.492 -17.179 1.00 1.00 H new ATOM 0 HE2 TYR A 182 48.320 -0.752 -17.049 1.00 1.00 H new ATOM 0 HH TYR A 182 49.394 0.269 -18.718 1.00 1.00 H new ATOM 319 N LEU A 190 46.320 -6.184 -16.342 1.00 1.00 N ATOM 320 CA LEU A 190 45.201 -6.355 -15.422 1.00 1.00 C ATOM 321 C LEU A 190 44.737 -5.000 -14.893 1.00 1.00 C ATOM 322 O LEU A 190 45.547 -4.181 -14.462 1.00 1.00 O ATOM 323 CB LEU A 190 45.620 -7.239 -14.240 1.00 1.00 C ATOM 324 CG LEU A 190 44.381 -7.632 -13.418 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.561 -8.713 -14.146 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.825 -8.168 -12.056 1.00 1.00 C ATOM 0 HA LEU A 190 44.383 -6.831 -15.962 1.00 1.00 H new ATOM 0 HB2 LEU A 190 46.125 -8.134 -14.604 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.332 -6.706 -13.610 1.00 1.00 H new ATOM 0 HG LEU A 190 43.756 -6.748 -13.288 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.690 -8.975 -13.546 1.00 1.00 H new ATOM 0 HD12 LEU A 190 43.234 -8.332 -15.113 1.00 1.00 H new ATOM 0 HD13 LEU A 190 44.178 -9.599 -14.295 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.948 -8.447 -11.472 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.460 -9.043 -12.199 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.384 -7.397 -11.526 1.00 1.00 H new ATOM 338 N ALA A 191 43.427 -4.775 -14.928 1.00 1.00 N ATOM 339 CA ALA A 191 42.866 -3.519 -14.443 1.00 1.00 C ATOM 340 C ALA A 191 43.150 -3.361 -12.953 1.00 1.00 C ATOM 341 O ALA A 191 43.018 -4.312 -12.184 1.00 1.00 O ATOM 342 CB ALA A 191 41.358 -3.497 -14.675 1.00 1.00 C ATOM 0 H ALA A 191 42.740 -5.439 -15.284 1.00 1.00 H new ATOM 0 HA ALA A 191 43.328 -2.696 -14.988 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.947 -2.556 -14.310 1.00 1.00 H new ATOM 0 HB2 ALA A 191 41.152 -3.593 -15.741 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.895 -4.326 -14.140 1.00 1.00 H new ATOM 348 N LEU A 192 43.542 -2.150 -12.552 1.00 1.00 N ATOM 349 CA LEU A 192 43.853 -1.867 -11.150 1.00 1.00 C ATOM 350 C LEU A 192 42.978 -0.730 -10.633 1.00 1.00 C ATOM 351 O LEU A 192 42.835 0.305 -11.287 1.00 1.00 O ATOM 352 CB LEU A 192 45.317 -1.466 -11.026 1.00 1.00 C ATOM 353 CG LEU A 192 46.202 -2.510 -11.722 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.662 -2.039 -11.707 1.00 1.00 C ATOM 355 CD2 LEU A 192 46.086 -3.867 -10.996 1.00 1.00 C ATOM 0 H LEU A 192 43.651 -1.351 -13.177 1.00 1.00 H new ATOM 0 HA LEU A 192 43.661 -2.763 -10.560 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.474 -0.485 -11.475 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.593 -1.384 -9.975 1.00 1.00 H new ATOM 0 HG LEU A 192 45.870 -2.629 -12.753 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.289 -2.781 -12.201 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.743 -1.088 -12.233 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.993 -1.913 -10.676 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.717 -4.602 -11.496 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.410 -3.755 -9.961 1.00 1.00 H new ATOM 0 HD23 LEU A 192 45.050 -4.204 -11.017 1.00 1.00 H new ATOM 367 N ARG A 193 42.395 -0.934 -9.454 1.00 1.00 N ATOM 368 CA ARG A 193 41.519 0.071 -8.837 1.00 1.00 C ATOM 369 C ARG A 193 42.230 0.706 -7.649 1.00 1.00 C ATOM 370 O ARG A 193 42.967 0.043 -6.923 1.00 1.00 O ATOM 371 CB ARG A 193 40.187 -0.585 -8.378 1.00 1.00 C ATOM 372 CG ARG A 193 40.151 -2.040 -8.821 1.00 1.00 C ATOM 373 CD ARG A 193 38.834 -2.679 -8.385 1.00 1.00 C ATOM 374 NE ARG A 193 38.800 -4.083 -8.771 1.00 1.00 N ATOM 375 CZ ARG A 193 37.774 -4.858 -8.439 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.780 -4.361 -7.756 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.761 -6.113 -8.794 1.00 1.00 N ATOM 0 H ARG A 193 42.511 -1.785 -8.903 1.00 1.00 H new ATOM 0 HA ARG A 193 41.288 0.843 -9.571 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.095 -0.523 -7.294 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.340 -0.045 -8.801 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.256 -2.103 -9.904 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.991 -2.583 -8.387 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.719 -2.589 -7.305 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.997 -2.149 -8.840 1.00 1.00 H new ATOM 0 HE ARG A 193 39.575 -4.477 -9.304 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.792 -3.380 -7.478 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.991 -4.954 -7.500 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.540 -6.500 -9.327 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.972 -6.707 -8.538 1.00 1.00 H new ATOM 391 N CYS A 194 41.996 1.992 -7.459 1.00 1.00 N ATOM 392 CA CYS A 194 42.614 2.711 -6.362 1.00 1.00 C ATOM 393 C CYS A 194 42.086 2.217 -5.025 1.00 1.00 C ATOM 394 O CYS A 194 40.881 2.049 -4.854 1.00 1.00 O ATOM 395 CB CYS A 194 42.311 4.200 -6.492 1.00 1.00 C ATOM 396 SG CYS A 194 40.587 4.516 -6.021 1.00 1.00 S ATOM 0 H CYS A 194 41.385 2.557 -8.048 1.00 1.00 H new ATOM 0 HA CYS A 194 43.690 2.539 -6.404 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.983 4.775 -5.855 1.00 1.00 H new ATOM 0 HB3 CYS A 194 42.484 4.528 -7.517 1.00 1.00 H new ATOM 0 HG CYS A 194 40.279 3.788 -4.989 1.00 1.00 H new ATOM 402 N ASP A 195 43.002 1.979 -4.095 1.00 1.00 N ATOM 403 CA ASP A 195 42.645 1.499 -2.763 1.00 1.00 C ATOM 404 C ASP A 195 42.414 -0.009 -2.776 1.00 1.00 C ATOM 405 O ASP A 195 42.512 -0.666 -1.742 1.00 1.00 O ATOM 406 CB ASP A 195 41.382 2.211 -2.244 1.00 1.00 C ATOM 407 CG ASP A 195 41.393 3.670 -2.684 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.391 4.330 -2.446 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.411 4.104 -3.264 1.00 1.00 O ATOM 0 H ASP A 195 44.003 2.111 -4.238 1.00 1.00 H new ATOM 0 HA ASP A 195 43.477 1.725 -2.095 1.00 1.00 H new ATOM 0 HB2 ASP A 195 40.490 1.713 -2.626 1.00 1.00 H new ATOM 0 HB3 ASP A 195 41.340 2.150 -1.157 1.00 1.00 H new ATOM 414 N GLU A 196 42.118 -0.555 -3.950 1.00 1.00 N ATOM 415 CA GLU A 196 41.888 -1.987 -4.071 1.00 1.00 C ATOM 416 C GLU A 196 43.205 -2.738 -3.937 1.00 1.00 C ATOM 417 O GLU A 196 44.283 -2.161 -4.096 1.00 1.00 O ATOM 418 CB GLU A 196 41.222 -2.282 -5.427 1.00 1.00 C ATOM 419 CG GLU A 196 41.158 -3.786 -5.681 1.00 1.00 C ATOM 420 CD GLU A 196 40.465 -4.477 -4.513 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.584 -3.866 -3.931 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.840 -5.595 -4.202 1.00 1.00 O ATOM 0 H GLU A 196 42.033 -0.033 -4.822 1.00 1.00 H new ATOM 0 HA GLU A 196 41.225 -2.323 -3.274 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.216 -1.862 -5.443 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.782 -1.797 -6.226 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.617 -3.985 -6.606 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.164 -4.186 -5.807 1.00 1.00 H new ATOM 429 N GLU A 197 43.106 -4.039 -3.675 1.00 1.00 N ATOM 430 CA GLU A 197 44.277 -4.895 -3.552 1.00 1.00 C ATOM 431 C GLU A 197 44.180 -6.055 -4.542 1.00 1.00 C ATOM 432 O GLU A 197 43.098 -6.395 -5.022 1.00 1.00 O ATOM 433 CB GLU A 197 44.389 -5.435 -2.124 1.00 1.00 C ATOM 434 CG GLU A 197 42.998 -5.788 -1.623 1.00 1.00 C ATOM 435 CD GLU A 197 43.097 -6.652 -0.372 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.046 -7.413 -0.273 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.219 -6.545 0.468 1.00 1.00 O ATOM 0 H GLU A 197 42.218 -4.524 -3.543 1.00 1.00 H new ATOM 0 HA GLU A 197 45.168 -4.308 -3.777 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.032 -6.315 -2.103 1.00 1.00 H new ATOM 0 HB3 GLU A 197 44.847 -4.690 -1.473 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.440 -4.878 -1.403 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.447 -6.319 -2.399 1.00 1.00 H new ATOM 444 N TYR A 198 45.330 -6.655 -4.841 1.00 1.00 N ATOM 445 CA TYR A 198 45.407 -7.780 -5.776 1.00 1.00 C ATOM 446 C TYR A 198 46.341 -8.852 -5.233 1.00 1.00 C ATOM 447 O TYR A 198 47.068 -8.622 -4.274 1.00 1.00 O ATOM 448 CB TYR A 198 45.929 -7.303 -7.126 1.00 1.00 C ATOM 449 CG TYR A 198 44.867 -6.479 -7.815 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.600 -5.177 -7.380 1.00 1.00 C ATOM 451 CD2 TYR A 198 44.151 -7.020 -8.887 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.614 -4.415 -8.019 1.00 1.00 C ATOM 453 CE2 TYR A 198 43.167 -6.260 -9.526 1.00 1.00 C ATOM 454 CZ TYR A 198 42.899 -4.957 -9.092 1.00 1.00 C ATOM 455 OH TYR A 198 41.928 -4.208 -9.724 1.00 1.00 O ATOM 0 H TYR A 198 46.229 -6.379 -4.447 1.00 1.00 H new ATOM 0 HA TYR A 198 44.407 -8.197 -5.897 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.833 -6.709 -6.989 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.200 -8.158 -7.746 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.154 -4.760 -6.552 1.00 1.00 H new ATOM 0 HD2 TYR A 198 44.358 -8.026 -9.222 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.406 -3.410 -7.684 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.614 -6.678 -10.354 1.00 1.00 H new ATOM 0 HH TYR A 198 42.078 -4.229 -10.692 1.00 1.00 H new ATOM 465 N TYR A 199 46.312 -10.024 -5.860 1.00 1.00 N ATOM 466 CA TYR A 199 47.157 -11.147 -5.446 1.00 1.00 C ATOM 467 C TYR A 199 48.478 -11.140 -6.199 1.00 1.00 C ATOM 468 O TYR A 199 48.499 -11.204 -7.426 1.00 1.00 O ATOM 469 CB TYR A 199 46.415 -12.481 -5.714 1.00 1.00 C ATOM 470 CG TYR A 199 46.179 -13.211 -4.415 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.274 -13.577 -3.629 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.879 -13.504 -4.002 1.00 1.00 C ATOM 473 CE1 TYR A 199 47.074 -14.237 -2.419 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.667 -14.167 -2.795 1.00 1.00 C ATOM 475 CZ TYR A 199 45.766 -14.534 -1.996 1.00 1.00 C ATOM 476 OH TYR A 199 45.560 -15.183 -0.795 1.00 1.00 O ATOM 0 H TYR A 199 45.711 -10.224 -6.660 1.00 1.00 H new ATOM 0 HA TYR A 199 47.366 -11.047 -4.381 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.464 -12.284 -6.208 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.002 -13.104 -6.389 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.276 -13.348 -3.960 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.039 -13.217 -4.617 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.919 -14.519 -1.809 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.662 -14.399 -2.473 1.00 1.00 H new ATOM 0 HH TYR A 199 44.599 -15.310 -0.653 1.00 1.00 H new ATOM 486 N LEU A 200 49.577 -11.063 -5.457 1.00 1.00 N ATOM 487 CA LEU A 200 50.894 -11.050 -6.083 1.00 1.00 C ATOM 488 C LEU A 200 51.341 -12.478 -6.364 1.00 1.00 C ATOM 489 O LEU A 200 51.379 -13.319 -5.465 1.00 1.00 O ATOM 490 CB LEU A 200 51.910 -10.350 -5.154 1.00 1.00 C ATOM 491 CG LEU A 200 53.079 -9.749 -5.969 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.564 -8.644 -6.909 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.108 -9.154 -5.001 1.00 1.00 C ATOM 0 H LEU A 200 49.584 -11.009 -4.438 1.00 1.00 H new ATOM 0 HA LEU A 200 50.840 -10.501 -7.023 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.411 -9.562 -4.591 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.297 -11.065 -4.428 1.00 1.00 H new ATOM 0 HG LEU A 200 53.538 -10.535 -6.569 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.398 -8.231 -7.476 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.831 -9.064 -7.597 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.098 -7.854 -6.320 1.00 1.00 H new ATOM 0 HD21 LEU A 200 54.936 -8.728 -5.567 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.637 -8.373 -4.404 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.484 -9.937 -4.343 1.00 1.00 H new ATOM 505 N LEU A 201 51.689 -12.742 -7.619 1.00 1.00 N ATOM 506 CA LEU A 201 52.144 -14.071 -8.022 1.00 1.00 C ATOM 507 C LEU A 201 53.660 -14.110 -8.111 1.00 1.00 C ATOM 508 O LEU A 201 54.309 -14.941 -7.477 1.00 1.00 O ATOM 509 CB LEU A 201 51.542 -14.453 -9.377 1.00 1.00 C ATOM 510 CG LEU A 201 49.996 -14.461 -9.273 1.00 1.00 C ATOM 511 CD1 LEU A 201 49.415 -13.086 -9.658 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.427 -15.545 -10.195 1.00 1.00 C ATOM 0 H LEU A 201 51.665 -12.057 -8.374 1.00 1.00 H new ATOM 0 HA LEU A 201 51.813 -14.786 -7.269 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.862 -13.745 -10.141 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.901 -15.436 -9.682 1.00 1.00 H new ATOM 0 HG LEU A 201 49.716 -14.674 -8.241 1.00 1.00 H new ATOM 0 HD11 LEU A 201 48.328 -13.115 -9.578 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.808 -12.324 -8.986 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.697 -12.846 -10.683 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.339 -15.551 -10.122 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.720 -15.338 -11.224 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.816 -16.518 -9.896 1.00 1.00 H new ATOM 524 N ASP A 202 54.227 -13.202 -8.900 1.00 1.00 N ATOM 525 CA ASP A 202 55.674 -13.135 -9.067 1.00 1.00 C ATOM 526 C ASP A 202 56.139 -11.688 -9.010 1.00 1.00 C ATOM 527 O ASP A 202 56.084 -10.967 -10.004 1.00 1.00 O ATOM 528 CB ASP A 202 56.067 -13.747 -10.411 1.00 1.00 C ATOM 529 CG ASP A 202 57.577 -13.940 -10.472 1.00 1.00 C ATOM 530 OD1 ASP A 202 58.274 -13.239 -9.758 1.00 1.00 O ATOM 531 OD2 ASP A 202 58.016 -14.792 -11.228 1.00 1.00 O ATOM 0 H ASP A 202 53.707 -12.504 -9.432 1.00 1.00 H new ATOM 0 HA ASP A 202 56.150 -13.694 -8.261 1.00 1.00 H new ATOM 0 HB2 ASP A 202 55.564 -14.704 -10.545 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.741 -13.099 -11.225 1.00 1.00 H new ATOM 536 N SER A 203 56.603 -11.272 -7.839 1.00 1.00 N ATOM 537 CA SER A 203 57.078 -9.908 -7.656 1.00 1.00 C ATOM 538 C SER A 203 58.373 -9.683 -8.438 1.00 1.00 C ATOM 539 O SER A 203 59.160 -8.797 -8.108 1.00 1.00 O ATOM 540 CB SER A 203 57.314 -9.649 -6.163 1.00 1.00 C ATOM 541 OG SER A 203 58.710 -9.610 -5.890 1.00 1.00 O ATOM 0 H SER A 203 56.660 -11.857 -7.005 1.00 1.00 H new ATOM 0 HA SER A 203 56.325 -9.215 -8.032 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.852 -8.706 -5.872 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.841 -10.432 -5.571 1.00 1.00 H new ATOM 0 HG SER A 203 59.116 -8.857 -6.369 1.00 1.00 H new ATOM 609 N TRP A 208 57.713 -7.164 -15.584 1.00 1.00 N ATOM 610 CA TRP A 208 56.761 -6.460 -14.734 1.00 1.00 C ATOM 611 C TRP A 208 56.219 -7.392 -13.652 1.00 1.00 C ATOM 612 O TRP A 208 56.477 -8.599 -13.665 1.00 1.00 O ATOM 613 CB TRP A 208 55.616 -5.946 -15.618 1.00 1.00 C ATOM 614 CG TRP A 208 55.973 -4.617 -16.205 1.00 1.00 C ATOM 615 CD1 TRP A 208 57.229 -4.226 -16.511 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.097 -3.514 -16.580 1.00 1.00 C ATOM 617 NE1 TRP A 208 57.184 -2.957 -17.049 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.892 -2.475 -17.115 1.00 1.00 C ATOM 619 CE3 TRP A 208 53.706 -3.313 -16.512 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.327 -1.284 -17.568 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.139 -2.118 -16.968 1.00 1.00 C ATOM 622 CH2 TRP A 208 53.946 -1.110 -17.495 1.00 1.00 C ATOM 0 HA TRP A 208 57.254 -5.624 -14.237 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.413 -6.661 -16.415 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.703 -5.858 -15.029 1.00 1.00 H new ATOM 0 HD1 TRP A 208 58.123 -4.812 -16.359 1.00 1.00 H new ATOM 0 HE1 TRP A 208 58.005 -2.438 -17.360 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.072 -4.087 -16.105 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.954 -0.503 -17.972 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 52.070 -1.975 -16.912 1.00 1.00 H new ATOM 0 HH2 TRP A 208 53.500 -0.192 -17.848 1.00 1.00 H new ATOM 633 N TRP A 209 55.479 -6.809 -12.711 1.00 1.00 N ATOM 634 CA TRP A 209 54.912 -7.570 -11.606 1.00 1.00 C ATOM 635 C TRP A 209 53.597 -8.197 -12.026 1.00 1.00 C ATOM 636 O TRP A 209 52.718 -7.542 -12.588 1.00 1.00 O ATOM 637 CB TRP A 209 54.688 -6.631 -10.395 1.00 1.00 C ATOM 638 CG TRP A 209 55.884 -6.620 -9.488 1.00 1.00 C ATOM 639 CD1 TRP A 209 57.155 -6.933 -9.841 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.932 -6.280 -8.075 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.966 -6.818 -8.732 1.00 1.00 N ATOM 642 CE2 TRP A 209 57.262 -6.419 -7.623 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.958 -5.876 -7.152 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.616 -6.168 -6.305 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.308 -5.619 -5.818 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.637 -5.767 -5.395 1.00 1.00 C ATOM 0 H TRP A 209 55.260 -5.813 -12.694 1.00 1.00 H new ATOM 0 HA TRP A 209 55.603 -8.364 -11.324 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.487 -5.620 -10.748 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.809 -6.955 -9.838 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.479 -7.225 -10.829 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.968 -7.007 -8.735 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.932 -5.762 -7.469 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.641 -6.282 -5.986 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.551 -5.306 -5.114 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.902 -5.571 -4.367 1.00 1.00 H new ATOM 657 N ARG A 210 53.490 -9.488 -11.753 1.00 1.00 N ATOM 658 CA ARG A 210 52.303 -10.239 -12.103 1.00 1.00 C ATOM 659 C ARG A 210 51.314 -10.198 -10.956 1.00 1.00 C ATOM 660 O ARG A 210 51.675 -10.478 -9.812 1.00 1.00 O ATOM 661 CB ARG A 210 52.669 -11.701 -12.369 1.00 1.00 C ATOM 662 CG ARG A 210 51.504 -12.390 -13.078 1.00 1.00 C ATOM 663 CD ARG A 210 51.904 -13.813 -13.455 1.00 1.00 C ATOM 664 NE ARG A 210 50.850 -14.434 -14.252 1.00 1.00 N ATOM 665 CZ ARG A 210 50.803 -14.287 -15.577 1.00 1.00 C ATOM 666 NH1 ARG A 210 51.712 -13.577 -16.189 1.00 1.00 N ATOM 667 NH2 ARG A 210 49.846 -14.851 -16.265 1.00 1.00 N ATOM 0 H ARG A 210 54.215 -10.035 -11.289 1.00 1.00 H new ATOM 0 HA ARG A 210 51.863 -9.796 -12.996 1.00 1.00 H new ATOM 0 HB2 ARG A 210 53.568 -11.757 -12.983 1.00 1.00 H new ATOM 0 HB3 ARG A 210 52.891 -12.209 -11.431 1.00 1.00 H new ATOM 0 HG2 ARG A 210 50.629 -12.407 -12.428 1.00 1.00 H new ATOM 0 HG3 ARG A 210 51.227 -11.831 -13.971 1.00 1.00 H new ATOM 0 HD2 ARG A 210 52.837 -13.800 -14.018 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.084 -14.400 -12.554 1.00 1.00 H new ATOM 0 HE ARG A 210 50.135 -14.992 -13.786 1.00 1.00 H new ATOM 0 HH11 ARG A 210 52.459 -13.134 -15.654 1.00 1.00 H new ATOM 0 HH12 ARG A 210 51.675 -13.465 -17.202 1.00 1.00 H new ATOM 0 HH21 ARG A 210 49.134 -15.404 -15.789 1.00 1.00 H new ATOM 0 HH22 ARG A 210 49.811 -14.738 -17.278 1.00 1.00 H new ATOM 681 N VAL A 211 50.071 -9.845 -11.253 1.00 1.00 N ATOM 682 CA VAL A 211 49.039 -9.771 -10.227 1.00 1.00 C ATOM 683 C VAL A 211 47.811 -10.561 -10.663 1.00 1.00 C ATOM 684 O VAL A 211 47.641 -10.845 -11.850 1.00 1.00 O ATOM 685 CB VAL A 211 48.655 -8.317 -10.006 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.833 -7.564 -9.391 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.277 -7.666 -11.342 1.00 1.00 C ATOM 0 H VAL A 211 49.753 -9.606 -12.192 1.00 1.00 H new ATOM 0 HA VAL A 211 49.423 -10.196 -9.300 1.00 1.00 H new ATOM 0 HB VAL A 211 47.800 -8.274 -9.331 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.556 -6.522 -9.233 1.00 1.00 H new ATOM 0 HG12 VAL A 211 50.096 -8.018 -8.436 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.688 -7.614 -10.065 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.003 -6.624 -11.175 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.127 -7.713 -12.023 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.432 -8.197 -11.779 1.00 1.00 H new ATOM 697 N GLN A 212 46.948 -10.910 -9.711 1.00 1.00 N ATOM 698 CA GLN A 212 45.730 -11.664 -10.016 1.00 1.00 C ATOM 699 C GLN A 212 44.577 -11.166 -9.163 1.00 1.00 C ATOM 700 O GLN A 212 44.724 -10.960 -7.959 1.00 1.00 O ATOM 701 CB GLN A 212 45.960 -13.155 -9.759 1.00 1.00 C ATOM 702 CG GLN A 212 44.664 -13.929 -9.993 1.00 1.00 C ATOM 703 CD GLN A 212 44.942 -15.426 -9.961 1.00 1.00 C ATOM 704 OE1 GLN A 212 46.085 -15.852 -10.121 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.961 -16.255 -9.760 1.00 1.00 N ATOM 0 H GLN A 212 47.068 -10.684 -8.724 1.00 1.00 H new ATOM 0 HA GLN A 212 45.481 -11.517 -11.067 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.742 -13.530 -10.419 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.305 -13.308 -8.736 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.932 -13.670 -9.228 1.00 1.00 H new ATOM 0 HG3 GLN A 212 44.232 -13.651 -10.954 1.00 1.00 H new ATOM 0 HE21 GLN A 212 43.014 -15.901 -9.627 1.00 1.00 H new ATOM 0 HE22 GLN A 212 44.139 -17.259 -9.735 1.00 1.00 H new ATOM 714 N ASP A 213 43.414 -10.989 -9.786 1.00 1.00 N ATOM 715 CA ASP A 213 42.232 -10.533 -9.067 1.00 1.00 C ATOM 716 C ASP A 213 41.445 -11.730 -8.559 1.00 1.00 C ATOM 717 O ASP A 213 41.532 -12.825 -9.113 1.00 1.00 O ATOM 718 CB ASP A 213 41.348 -9.697 -9.991 1.00 1.00 C ATOM 719 CG ASP A 213 40.155 -9.148 -9.216 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.376 -8.403 -8.276 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.037 -9.478 -9.577 1.00 1.00 O ATOM 0 H ASP A 213 43.267 -11.154 -10.782 1.00 1.00 H new ATOM 0 HA ASP A 213 42.547 -9.921 -8.222 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.926 -8.876 -10.415 1.00 1.00 H new ATOM 0 HB3 ASP A 213 41.001 -10.307 -10.825 1.00 1.00 H new ATOM 726 N LYS A 214 40.678 -11.513 -7.502 1.00 1.00 N ATOM 727 CA LYS A 214 39.874 -12.582 -6.919 1.00 1.00 C ATOM 728 C LYS A 214 38.853 -13.094 -7.927 1.00 1.00 C ATOM 729 O LYS A 214 38.115 -14.041 -7.653 1.00 1.00 O ATOM 730 CB LYS A 214 39.146 -12.067 -5.679 1.00 1.00 C ATOM 731 CG LYS A 214 40.171 -11.549 -4.639 1.00 1.00 C ATOM 732 CD LYS A 214 40.171 -10.021 -4.620 1.00 1.00 C ATOM 733 CE LYS A 214 41.333 -9.520 -3.770 1.00 1.00 C ATOM 734 NZ LYS A 214 41.235 -8.043 -3.633 1.00 1.00 N ATOM 0 H LYS A 214 40.594 -10.612 -7.031 1.00 1.00 H new ATOM 0 HA LYS A 214 40.538 -13.400 -6.641 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.461 -11.266 -5.956 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.545 -12.865 -5.243 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.923 -11.933 -3.650 1.00 1.00 H new ATOM 0 HG3 LYS A 214 41.167 -11.918 -4.883 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.257 -9.635 -5.636 1.00 1.00 H new ATOM 0 HD3 LYS A 214 39.227 -9.652 -4.218 1.00 1.00 H new ATOM 0 HE2 LYS A 214 41.310 -9.991 -2.787 1.00 1.00 H new ATOM 0 HE3 LYS A 214 42.282 -9.793 -4.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.089 -7.600 -4.028 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.399 -7.701 -4.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 41.148 -7.793 -2.627 1.00 1.00 H new ATOM 748 N ASN A 215 38.805 -12.451 -9.095 1.00 1.00 N ATOM 749 CA ASN A 215 37.860 -12.839 -10.140 1.00 1.00 C ATOM 750 C ASN A 215 38.495 -13.841 -11.097 1.00 1.00 C ATOM 751 O ASN A 215 37.839 -14.343 -12.010 1.00 1.00 O ATOM 752 CB ASN A 215 37.411 -11.600 -10.916 1.00 1.00 C ATOM 753 CG ASN A 215 36.548 -10.715 -10.023 1.00 1.00 C ATOM 754 OD1 ASN A 215 36.210 -11.135 -8.833 1.00 1.00 O flip ATOM 755 ND2 ASN A 215 36.178 -9.608 -10.415 1.00 1.00 N flip ATOM 0 H ASN A 215 39.406 -11.664 -9.339 1.00 1.00 H new ATOM 0 HA ASN A 215 36.996 -13.308 -9.669 1.00 1.00 H new ATOM 0 HB2 ASN A 215 38.281 -11.043 -11.264 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.848 -11.898 -11.801 1.00 1.00 H new ATOM 0 HD21 ASN A 215 36.443 -9.281 -11.344 1.00 1.00 H new ATOM 0 HD22 ASN A 215 35.607 -9.018 -9.810 1.00 1.00 H new ATOM 762 N GLY A 216 39.778 -14.131 -10.887 1.00 1.00 N ATOM 763 CA GLY A 216 40.494 -15.077 -11.739 1.00 1.00 C ATOM 764 C GLY A 216 41.159 -14.372 -12.915 1.00 1.00 C ATOM 765 O GLY A 216 41.545 -15.011 -13.894 1.00 1.00 O ATOM 0 H GLY A 216 40.340 -13.727 -10.138 1.00 1.00 H new ATOM 0 HA2 GLY A 216 41.249 -15.599 -11.151 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.801 -15.832 -12.110 1.00 1.00 H new ATOM 769 N HIS A 217 41.283 -13.048 -12.822 1.00 1.00 N ATOM 770 CA HIS A 217 41.901 -12.262 -13.889 1.00 1.00 C ATOM 771 C HIS A 217 43.325 -11.868 -13.507 1.00 1.00 C ATOM 772 O HIS A 217 43.565 -11.329 -12.426 1.00 1.00 O ATOM 773 CB HIS A 217 41.078 -10.999 -14.154 1.00 1.00 C ATOM 774 CG HIS A 217 39.719 -11.384 -14.654 1.00 1.00 C ATOM 775 ND1 HIS A 217 39.547 -12.262 -15.711 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.458 -11.013 -14.263 1.00 1.00 C ATOM 777 CE1 HIS A 217 38.224 -12.388 -15.919 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.514 -11.648 -15.063 1.00 1.00 N ATOM 0 H HIS A 217 40.965 -12.500 -12.023 1.00 1.00 H new ATOM 0 HA HIS A 217 41.931 -12.872 -14.791 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.988 -10.412 -13.240 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.583 -10.371 -14.888 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.232 -10.331 -13.456 1.00 1.00 H new ATOM 0 HE1 HIS A 217 37.788 -13.012 -16.685 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.499 -11.566 -15.008 1.00 1.00 H new ATOM 786 N GLU A 218 44.268 -12.169 -14.399 1.00 1.00 N ATOM 787 CA GLU A 218 45.681 -11.869 -14.162 1.00 1.00 C ATOM 788 C GLU A 218 46.268 -11.044 -15.296 1.00 1.00 C ATOM 789 O GLU A 218 45.803 -11.114 -16.434 1.00 1.00 O ATOM 790 CB GLU A 218 46.463 -13.175 -14.012 1.00 1.00 C ATOM 791 CG GLU A 218 46.103 -14.121 -15.162 1.00 1.00 C ATOM 792 CD GLU A 218 46.880 -15.429 -15.029 1.00 1.00 C ATOM 793 OE1 GLU A 218 48.004 -15.381 -14.555 1.00 1.00 O ATOM 794 OE2 GLU A 218 46.340 -16.455 -15.403 1.00 1.00 O ATOM 0 H GLU A 218 44.079 -12.621 -15.294 1.00 1.00 H new ATOM 0 HA GLU A 218 45.758 -11.285 -13.245 1.00 1.00 H new ATOM 0 HB2 GLU A 218 47.534 -12.972 -14.015 1.00 1.00 H new ATOM 0 HB3 GLU A 218 46.230 -13.643 -13.056 1.00 1.00 H new ATOM 0 HG2 GLU A 218 45.032 -14.323 -15.155 1.00 1.00 H new ATOM 0 HG3 GLU A 218 46.332 -13.648 -16.117 1.00 1.00 H new ATOM 801 N GLY A 219 47.313 -10.279 -14.985 1.00 1.00 N ATOM 802 CA GLY A 219 47.974 -9.457 -15.990 1.00 1.00 C ATOM 803 C GLY A 219 49.089 -8.637 -15.350 1.00 1.00 C ATOM 804 O GLY A 219 49.126 -8.474 -14.125 1.00 1.00 O ATOM 0 H GLY A 219 47.716 -10.213 -14.050 1.00 1.00 H new ATOM 0 HA2 GLY A 219 48.384 -10.091 -16.776 1.00 1.00 H new ATOM 0 HA3 GLY A 219 47.249 -8.793 -16.461 1.00 1.00 H new ATOM 808 N TYR A 220 50.000 -8.132 -16.172 1.00 1.00 N ATOM 809 CA TYR A 220 51.112 -7.341 -15.667 1.00 1.00 C ATOM 810 C TYR A 220 50.610 -6.045 -15.073 1.00 1.00 C ATOM 811 O TYR A 220 49.757 -5.379 -15.655 1.00 1.00 O ATOM 812 CB TYR A 220 52.071 -7.022 -16.819 1.00 1.00 C ATOM 813 CG TYR A 220 52.787 -8.283 -17.237 1.00 1.00 C ATOM 814 CD1 TYR A 220 53.777 -8.827 -16.411 1.00 1.00 C ATOM 815 CD2 TYR A 220 52.459 -8.912 -18.446 1.00 1.00 C ATOM 816 CE1 TYR A 220 54.441 -9.998 -16.793 1.00 1.00 C ATOM 817 CE2 TYR A 220 53.123 -10.083 -18.827 1.00 1.00 C ATOM 818 CZ TYR A 220 54.114 -10.627 -18.000 1.00 1.00 C ATOM 819 OH TYR A 220 54.767 -11.782 -18.375 1.00 1.00 O ATOM 0 H TYR A 220 49.991 -8.255 -17.184 1.00 1.00 H new ATOM 0 HA TYR A 220 51.627 -7.912 -14.895 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.519 -6.607 -17.662 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.793 -6.267 -16.508 1.00 1.00 H new ATOM 0 HD1 TYR A 220 54.029 -8.343 -15.479 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.694 -8.493 -19.083 1.00 1.00 H new ATOM 0 HE1 TYR A 220 55.206 -10.417 -16.156 1.00 1.00 H new ATOM 0 HE2 TYR A 220 52.871 -10.568 -19.759 1.00 1.00 H new ATOM 0 HH TYR A 220 54.419 -12.089 -19.238 1.00 1.00 H new ATOM 829 N ALA A 221 51.134 -5.687 -13.900 1.00 1.00 N ATOM 830 CA ALA A 221 50.723 -4.456 -13.230 1.00 1.00 C ATOM 831 C ALA A 221 51.952 -3.647 -12.785 1.00 1.00 C ATOM 832 O ALA A 221 52.814 -4.174 -12.081 1.00 1.00 O ATOM 833 CB ALA A 221 49.868 -4.785 -12.011 1.00 1.00 C ATOM 0 H ALA A 221 51.838 -6.228 -13.399 1.00 1.00 H new ATOM 0 HA ALA A 221 50.142 -3.861 -13.934 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.566 -3.861 -11.518 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.981 -5.334 -12.326 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.445 -5.395 -11.316 1.00 1.00 H new ATOM 839 N PRO A 222 52.052 -2.384 -13.156 1.00 1.00 N ATOM 840 CA PRO A 222 53.206 -1.529 -12.747 1.00 1.00 C ATOM 841 C PRO A 222 53.472 -1.605 -11.238 1.00 1.00 C ATOM 842 O PRO A 222 52.646 -1.178 -10.434 1.00 1.00 O ATOM 843 CB PRO A 222 52.762 -0.111 -13.146 1.00 1.00 C ATOM 844 CG PRO A 222 51.761 -0.290 -14.240 1.00 1.00 C ATOM 845 CD PRO A 222 51.094 -1.642 -13.999 1.00 1.00 C ATOM 0 HA PRO A 222 54.137 -1.843 -13.219 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.324 0.415 -12.298 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.610 0.483 -13.486 1.00 1.00 H new ATOM 0 HG2 PRO A 222 51.025 0.514 -14.228 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.245 -0.264 -15.217 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.132 -1.526 -13.499 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.905 -2.164 -14.937 1.00 1.00 H new ATOM 853 N SER A 223 54.634 -2.137 -10.872 1.00 1.00 N ATOM 854 CA SER A 223 55.026 -2.255 -9.466 1.00 1.00 C ATOM 855 C SER A 223 55.292 -0.880 -8.856 1.00 1.00 C ATOM 856 O SER A 223 55.406 -0.737 -7.638 1.00 1.00 O ATOM 857 CB SER A 223 56.281 -3.105 -9.345 1.00 1.00 C ATOM 858 OG SER A 223 56.501 -3.415 -7.976 1.00 1.00 O ATOM 0 H SER A 223 55.325 -2.496 -11.531 1.00 1.00 H new ATOM 0 HA SER A 223 54.205 -2.728 -8.926 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.172 -4.021 -9.925 1.00 1.00 H new ATOM 0 HB3 SER A 223 57.139 -2.570 -9.752 1.00 1.00 H new ATOM 0 HG SER A 223 56.663 -4.377 -7.880 1.00 1.00 H new ATOM 864 N SER A 224 55.377 0.128 -9.714 1.00 1.00 N ATOM 865 CA SER A 224 55.621 1.498 -9.261 1.00 1.00 C ATOM 866 C SER A 224 54.335 2.174 -8.788 1.00 1.00 C ATOM 867 O SER A 224 54.351 2.953 -7.835 1.00 1.00 O ATOM 868 CB SER A 224 56.227 2.322 -10.386 1.00 1.00 C ATOM 869 OG SER A 224 57.581 1.935 -10.573 1.00 1.00 O ATOM 0 H SER A 224 55.282 0.027 -10.725 1.00 1.00 H new ATOM 0 HA SER A 224 56.313 1.443 -8.421 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.663 2.172 -11.307 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.170 3.384 -10.146 1.00 1.00 H new ATOM 0 HG SER A 224 57.975 2.463 -11.299 1.00 1.00 H new ATOM 875 N TYR A 225 53.227 1.891 -9.469 1.00 1.00 N ATOM 876 CA TYR A 225 51.946 2.505 -9.118 1.00 1.00 C ATOM 877 C TYR A 225 51.249 1.710 -8.030 1.00 1.00 C ATOM 878 O TYR A 225 50.041 1.836 -7.828 1.00 1.00 O ATOM 879 CB TYR A 225 51.047 2.570 -10.352 1.00 1.00 C ATOM 880 CG TYR A 225 51.588 3.606 -11.314 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.773 3.359 -12.020 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.908 4.818 -11.493 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.275 4.322 -12.907 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.410 5.779 -12.378 1.00 1.00 C ATOM 885 CZ TYR A 225 52.593 5.531 -13.086 1.00 1.00 C ATOM 886 OH TYR A 225 53.085 6.482 -13.959 1.00 1.00 O ATOM 0 H TYR A 225 53.188 1.247 -10.259 1.00 1.00 H new ATOM 0 HA TYR A 225 52.139 3.512 -8.749 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.005 1.595 -10.837 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.028 2.825 -10.060 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.300 2.427 -11.881 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.996 5.011 -10.948 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.188 4.131 -13.452 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.885 6.713 -12.515 1.00 1.00 H new ATOM 0 HH TYR A 225 52.490 7.260 -13.964 1.00 1.00 H new ATOM 896 N LEU A 226 52.019 0.891 -7.322 1.00 1.00 N ATOM 897 CA LEU A 226 51.473 0.082 -6.241 1.00 1.00 C ATOM 898 C LEU A 226 52.532 -0.191 -5.186 1.00 1.00 C ATOM 899 O LEU A 226 53.708 0.112 -5.385 1.00 1.00 O ATOM 900 CB LEU A 226 50.932 -1.234 -6.787 1.00 1.00 C ATOM 901 CG LEU A 226 52.051 -1.996 -7.522 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.035 -2.670 -6.531 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.408 -3.040 -8.450 1.00 1.00 C ATOM 0 H LEU A 226 53.020 0.771 -7.477 1.00 1.00 H new ATOM 0 HA LEU A 226 50.657 0.637 -5.779 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.540 -1.842 -5.972 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.103 -1.042 -7.468 1.00 1.00 H new ATOM 0 HG LEU A 226 52.635 -1.287 -8.109 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.809 -3.197 -7.089 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.496 -1.909 -5.902 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.493 -3.379 -5.905 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.189 -3.588 -8.978 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.813 -3.736 -7.858 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.766 -2.537 -9.173 1.00 1.00 H new ATOM 915 N VAL A 227 52.114 -0.776 -4.066 1.00 1.00 N ATOM 916 CA VAL A 227 53.045 -1.100 -2.983 1.00 1.00 C ATOM 917 C VAL A 227 52.697 -2.447 -2.358 1.00 1.00 C ATOM 918 O VAL A 227 51.554 -2.898 -2.430 1.00 1.00 O ATOM 919 CB VAL A 227 53.002 -0.015 -1.915 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.020 -0.335 -0.822 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.339 1.337 -2.547 1.00 1.00 C ATOM 0 H VAL A 227 51.144 -1.035 -3.883 1.00 1.00 H new ATOM 0 HA VAL A 227 54.050 -1.157 -3.401 1.00 1.00 H new ATOM 0 HB VAL A 227 52.004 0.027 -1.480 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.989 0.441 -0.058 1.00 1.00 H new ATOM 0 HG12 VAL A 227 53.779 -1.298 -0.371 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.019 -0.377 -1.256 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.308 2.114 -1.783 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.337 1.296 -2.983 1.00 1.00 H new ATOM 0 HG23 VAL A 227 52.612 1.566 -3.326 1.00 1.00 H new ATOM 931 N GLU A 228 53.688 -3.083 -1.737 1.00 1.00 N ATOM 932 CA GLU A 228 53.470 -4.374 -1.097 1.00 1.00 C ATOM 933 C GLU A 228 52.577 -4.231 0.123 1.00 1.00 C ATOM 934 O GLU A 228 52.817 -3.394 0.991 1.00 1.00 O ATOM 935 CB GLU A 228 54.806 -4.996 -0.680 1.00 1.00 C ATOM 936 CG GLU A 228 55.525 -5.526 -1.913 1.00 1.00 C ATOM 937 CD GLU A 228 56.864 -6.141 -1.511 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.165 -6.130 -0.328 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.565 -6.617 -2.387 1.00 1.00 O ATOM 0 H GLU A 228 54.641 -2.728 -1.665 1.00 1.00 H new ATOM 0 HA GLU A 228 52.978 -5.025 -1.819 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.424 -4.253 -0.177 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.637 -5.804 0.031 1.00 1.00 H new ATOM 0 HG2 GLU A 228 54.907 -6.273 -2.412 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.686 -4.718 -2.626 1.00 1.00 H new ATOM 946 N LYS A 229 51.546 -5.067 0.181 1.00 1.00 N ATOM 947 CA LYS A 229 50.612 -5.043 1.307 1.00 1.00 C ATOM 948 C LYS A 229 51.140 -5.889 2.461 1.00 1.00 C ATOM 949 O LYS A 229 50.962 -5.546 3.629 1.00 1.00 O ATOM 950 CB LYS A 229 49.239 -5.564 0.878 1.00 1.00 C ATOM 951 CG LYS A 229 48.255 -5.413 2.037 1.00 1.00 C ATOM 952 CD LYS A 229 46.861 -5.812 1.560 1.00 1.00 C ATOM 953 CE LYS A 229 45.866 -5.674 2.715 1.00 1.00 C ATOM 954 NZ LYS A 229 44.499 -6.048 2.249 1.00 1.00 N ATOM 0 H LYS A 229 51.334 -5.766 -0.531 1.00 1.00 H new ATOM 0 HA LYS A 229 50.513 -4.010 1.640 1.00 1.00 H new ATOM 0 HB2 LYS A 229 48.883 -5.010 0.009 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.311 -6.610 0.581 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.560 -6.040 2.874 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.250 -4.384 2.395 1.00 1.00 H new ATOM 0 HD2 LYS A 229 46.556 -5.180 0.726 1.00 1.00 H new ATOM 0 HD3 LYS A 229 46.870 -6.839 1.195 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.166 -6.315 3.544 1.00 1.00 H new ATOM 0 HE3 LYS A 229 45.866 -4.650 3.087 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 43.915 -6.315 3.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.064 -5.238 1.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.564 -6.852 1.592 1.00 1.00 H new