USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 488 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 Set 1.1: A 26 HIS : no HE2:sc= -15.5! C(o=-21!,f=-25!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -5.67! C(o=-21!,f=-22!) USER MOD Set 2.1: A 22 SER OG : rot -138:sc= 0.0706 USER MOD Set 2.2: A 44 CYS SG : rot 116:sc= -7.65! USER MOD Set 3.1: A 15 TYR OH : rot -147:sc= -0.813 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.943 USER MOD Set 4.1: A 12 MET CE :methyl 157:sc= -1.3 (180deg=-1.19) USER MOD Set 4.2: A 20 GLN : amide:sc= -1.92 K(o=-3.2,f=-6.8) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.0907 (180deg=-0.795) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.117 USER MOD Single : A 21 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0.15 (180deg=-0.253) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.19 (180deg=0.162) USER MOD Single : A 34 SER OG : rot 180:sc= -0.303 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.616 F(o=-4.8!,f=-0.62) USER MOD Single : A 38 SER OG : rot -41:sc= 0.0422 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0.111 (180deg=0.106) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.31 (180deg=-1.49!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.0382 (180deg=-0.424) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 156:sc= -1.07 (180deg=-2.95!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 133:sc= -1.29 (180deg=-3.42!) USER MOD Single : A 56 LYS NZ :NH3+ -129:sc= -2.06! (180deg=-3.29!) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -0.268 (180deg=-1.4!) USER MOD Single : A 62 MET CE :methyl 176:sc= -0.724 (180deg=-0.731) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.129 (180deg=-0.858) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0158 (180deg=-0.297) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -8.978 -5.267 4.648 1.00 0.00 N ATOM 155 CA LYS A 11 -8.671 -4.091 3.779 1.00 0.00 C ATOM 156 C LYS A 11 -7.301 -3.502 4.138 1.00 0.00 C ATOM 157 O LYS A 11 -7.140 -2.851 5.149 1.00 0.00 O ATOM 158 CB LYS A 11 -9.788 -2.984 3.935 1.00 0.00 C ATOM 159 CG LYS A 11 -10.669 -3.239 5.174 1.00 0.00 C ATOM 160 CD LYS A 11 -9.834 -3.064 6.451 1.00 0.00 C ATOM 161 CE LYS A 11 -10.774 -2.913 7.649 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.551 -1.646 7.542 1.00 0.00 N ATOM 0 HA LYS A 11 -8.649 -4.428 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.320 -2.003 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.412 -2.967 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.511 -2.547 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.084 -4.246 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.180 -3.924 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.193 -2.187 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.456 -3.762 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.198 -2.917 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.816 -1.320 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.969 -0.920 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.411 -1.812 6.981 1.00 0.00 H new ATOM 176 N MET A 12 -6.346 -3.750 3.293 1.00 0.00 N ATOM 177 CA MET A 12 -4.984 -3.228 3.545 1.00 0.00 C ATOM 178 C MET A 12 -4.996 -1.714 3.732 1.00 0.00 C ATOM 179 O MET A 12 -5.939 -1.044 3.358 1.00 0.00 O ATOM 180 CB MET A 12 -4.109 -3.570 2.313 1.00 0.00 C ATOM 181 CG MET A 12 -3.530 -4.982 2.465 1.00 0.00 C ATOM 182 SD MET A 12 -2.852 -5.753 0.979 1.00 0.00 S ATOM 183 CE MET A 12 -1.927 -4.313 0.393 1.00 0.00 C ATOM 0 H MET A 12 -6.452 -4.294 2.436 1.00 0.00 H new ATOM 0 HA MET A 12 -4.592 -3.681 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.705 -3.507 1.403 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.302 -2.844 2.216 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.743 -4.946 3.218 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.315 -5.630 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.121 -4.641 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.595 -3.650 -0.157 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.507 -3.779 1.245 1.00 0.00 H new ATOM 193 N SER A 13 -3.927 -1.213 4.309 1.00 0.00 N ATOM 194 CA SER A 13 -3.817 0.250 4.547 1.00 0.00 C ATOM 195 C SER A 13 -3.230 0.936 3.318 1.00 0.00 C ATOM 196 O SER A 13 -2.786 0.281 2.398 1.00 0.00 O ATOM 197 CB SER A 13 -2.866 0.470 5.732 1.00 0.00 C ATOM 198 OG SER A 13 -3.418 -0.326 6.772 1.00 0.00 O ATOM 0 H SER A 13 -3.127 -1.762 4.624 1.00 0.00 H new ATOM 0 HA SER A 13 -4.804 0.665 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.849 0.160 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.820 1.521 6.016 1.00 0.00 H new ATOM 0 HG SER A 13 -2.864 -0.244 7.576 1.00 0.00 H new ATOM 204 N SER A 14 -3.222 2.238 3.325 1.00 0.00 N ATOM 205 CA SER A 14 -2.668 2.962 2.166 1.00 0.00 C ATOM 206 C SER A 14 -1.191 2.662 2.024 1.00 0.00 C ATOM 207 O SER A 14 -0.665 2.605 0.929 1.00 0.00 O ATOM 208 CB SER A 14 -2.865 4.459 2.411 1.00 0.00 C ATOM 209 OG SER A 14 -2.099 4.720 3.574 1.00 0.00 O ATOM 0 H SER A 14 -3.575 2.824 4.082 1.00 0.00 H new ATOM 0 HA SER A 14 -3.173 2.651 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.519 5.051 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.916 4.704 2.562 1.00 0.00 H new ATOM 0 HG SER A 14 -2.168 5.670 3.805 1.00 0.00 H new ATOM 215 N TYR A 15 -0.544 2.475 3.137 1.00 0.00 N ATOM 216 CA TYR A 15 0.898 2.176 3.090 1.00 0.00 C ATOM 217 C TYR A 15 1.076 0.756 2.608 1.00 0.00 C ATOM 218 O TYR A 15 1.841 0.490 1.710 1.00 0.00 O ATOM 219 CB TYR A 15 1.491 2.301 4.523 1.00 0.00 C ATOM 220 CG TYR A 15 2.860 1.586 4.584 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.785 1.738 3.560 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.158 0.736 5.623 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.970 1.050 3.582 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.351 0.046 5.639 1.00 0.00 C ATOM 225 CZ TYR A 15 5.261 0.197 4.615 1.00 0.00 C ATOM 226 OH TYR A 15 6.419 -0.529 4.605 1.00 0.00 O ATOM 0 H TYR A 15 -0.954 2.517 4.070 1.00 0.00 H new ATOM 0 HA TYR A 15 1.405 2.871 2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.606 3.352 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.808 1.862 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.569 2.405 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.453 0.608 6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.680 1.181 2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.575 -0.618 6.461 1.00 0.00 H new ATOM 0 HH TYR A 15 6.265 -1.396 5.035 1.00 0.00 H new ATOM 236 N ALA A 16 0.377 -0.134 3.239 1.00 0.00 N ATOM 237 CA ALA A 16 0.482 -1.543 2.842 1.00 0.00 C ATOM 238 C ALA A 16 0.191 -1.689 1.360 1.00 0.00 C ATOM 239 O ALA A 16 0.681 -2.598 0.718 1.00 0.00 O ATOM 240 CB ALA A 16 -0.545 -2.356 3.636 1.00 0.00 C ATOM 0 H ALA A 16 -0.261 0.059 4.011 1.00 0.00 H new ATOM 0 HA ALA A 16 1.491 -1.903 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.478 -3.406 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.342 -2.256 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.547 -1.985 3.421 1.00 0.00 H new ATOM 246 N PHE A 17 -0.598 -0.780 0.829 1.00 0.00 N ATOM 247 CA PHE A 17 -0.916 -0.872 -0.613 1.00 0.00 C ATOM 248 C PHE A 17 0.319 -0.521 -1.415 1.00 0.00 C ATOM 249 O PHE A 17 0.544 -1.047 -2.486 1.00 0.00 O ATOM 250 CB PHE A 17 -2.082 0.126 -0.932 1.00 0.00 C ATOM 251 CG PHE A 17 -3.342 -0.651 -1.357 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.484 -1.095 -2.658 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.358 -0.904 -0.449 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.619 -1.773 -3.044 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.489 -1.584 -0.841 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.619 -2.016 -2.137 1.00 0.00 C ATOM 0 H PHE A 17 -1.022 0.002 1.329 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.228 -1.883 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.300 0.735 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.780 0.808 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.700 -0.909 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.262 -0.566 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.722 -2.114 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.276 -1.778 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.508 -2.547 -2.443 1.00 0.00 H new ATOM 266 N PHE A 18 1.100 0.355 -0.871 1.00 0.00 N ATOM 267 CA PHE A 18 2.336 0.767 -1.571 1.00 0.00 C ATOM 268 C PHE A 18 3.404 -0.297 -1.374 1.00 0.00 C ATOM 269 O PHE A 18 4.385 -0.327 -2.091 1.00 0.00 O ATOM 270 CB PHE A 18 2.810 2.128 -0.990 1.00 0.00 C ATOM 271 CG PHE A 18 4.299 2.355 -1.283 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.267 1.768 -0.486 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.693 3.154 -2.339 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.603 1.978 -0.743 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.033 3.362 -2.593 1.00 0.00 C ATOM 276 CZ PHE A 18 6.984 2.774 -1.795 1.00 0.00 C ATOM 0 H PHE A 18 0.937 0.805 0.030 1.00 0.00 H new ATOM 0 HA PHE A 18 2.148 0.879 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.222 2.938 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.639 2.149 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.972 1.141 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.948 3.618 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.352 1.516 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.335 3.988 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.033 2.938 -1.995 1.00 0.00 H new ATOM 286 N VAL A 19 3.193 -1.165 -0.389 1.00 0.00 N ATOM 287 CA VAL A 19 4.184 -2.229 -0.138 1.00 0.00 C ATOM 288 C VAL A 19 3.975 -3.351 -1.090 1.00 0.00 C ATOM 289 O VAL A 19 4.914 -3.833 -1.645 1.00 0.00 O ATOM 290 CB VAL A 19 4.059 -2.755 1.313 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.974 -3.989 1.489 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.516 -1.651 2.285 1.00 0.00 C ATOM 0 H VAL A 19 2.383 -1.164 0.231 1.00 0.00 H new ATOM 0 HA VAL A 19 5.181 -1.812 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 19 3.025 -3.031 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.889 -4.362 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.671 -4.769 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.008 -3.706 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.432 -2.011 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.553 -1.389 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.887 -0.770 2.157 1.00 0.00 H new ATOM 302 N GLN A 20 2.749 -3.773 -1.265 1.00 0.00 N ATOM 303 CA GLN A 20 2.543 -4.883 -2.211 1.00 0.00 C ATOM 304 C GLN A 20 3.000 -4.420 -3.559 1.00 0.00 C ATOM 305 O GLN A 20 3.381 -5.204 -4.408 1.00 0.00 O ATOM 306 CB GLN A 20 1.050 -5.277 -2.280 1.00 0.00 C ATOM 307 CG GLN A 20 0.204 -4.051 -2.596 1.00 0.00 C ATOM 308 CD GLN A 20 -1.232 -4.488 -2.911 1.00 0.00 C ATOM 309 OE1 GLN A 20 -2.186 -3.840 -2.532 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.427 -5.575 -3.603 1.00 0.00 N ATOM 0 H GLN A 20 1.915 -3.406 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 20 3.106 -5.757 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.901 -6.039 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.736 -5.712 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.209 -3.364 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.626 -3.513 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.630 -6.125 -3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.376 -5.876 -3.823 1.00 0.00 H new ATOM 319 N THR A 21 2.957 -3.123 -3.726 1.00 0.00 N ATOM 320 CA THR A 21 3.384 -2.539 -5.002 1.00 0.00 C ATOM 321 C THR A 21 4.888 -2.528 -5.040 1.00 0.00 C ATOM 322 O THR A 21 5.488 -2.598 -6.096 1.00 0.00 O ATOM 323 CB THR A 21 2.846 -1.106 -5.088 1.00 0.00 C ATOM 324 OG1 THR A 21 1.445 -1.232 -4.996 1.00 0.00 O ATOM 325 CG2 THR A 21 3.075 -0.514 -6.476 1.00 0.00 C ATOM 0 H THR A 21 2.642 -2.454 -3.024 1.00 0.00 H new ATOM 0 HA THR A 21 3.003 -3.119 -5.843 1.00 0.00 H new ATOM 0 HB THR A 21 3.323 -0.490 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.151 -0.971 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.683 0.503 -6.507 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.143 -0.498 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.562 -1.123 -7.220 1.00 0.00 H new ATOM 333 N SER A 22 5.477 -2.446 -3.865 1.00 0.00 N ATOM 334 CA SER A 22 6.958 -2.433 -3.782 1.00 0.00 C ATOM 335 C SER A 22 7.467 -3.863 -3.777 1.00 0.00 C ATOM 336 O SER A 22 8.587 -4.129 -4.137 1.00 0.00 O ATOM 337 CB SER A 22 7.367 -1.755 -2.462 1.00 0.00 C ATOM 338 OG SER A 22 8.786 -1.708 -2.520 1.00 0.00 O ATOM 0 H SER A 22 4.990 -2.388 -2.971 1.00 0.00 H new ATOM 0 HA SER A 22 7.377 -1.894 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.938 -0.756 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.022 -2.324 -1.598 1.00 0.00 H new ATOM 0 HG SER A 22 9.157 -1.949 -1.646 1.00 0.00 H new ATOM 344 N ARG A 23 6.597 -4.756 -3.374 1.00 0.00 N ATOM 345 CA ARG A 23 6.958 -6.198 -3.317 1.00 0.00 C ATOM 346 C ARG A 23 7.034 -6.775 -4.719 1.00 0.00 C ATOM 347 O ARG A 23 7.758 -7.719 -4.971 1.00 0.00 O ATOM 348 CB ARG A 23 5.846 -6.928 -2.505 1.00 0.00 C ATOM 349 CG ARG A 23 6.424 -8.165 -1.781 1.00 0.00 C ATOM 350 CD ARG A 23 5.458 -8.577 -0.652 1.00 0.00 C ATOM 351 NE ARG A 23 5.723 -9.994 -0.274 1.00 0.00 N ATOM 352 CZ ARG A 23 5.336 -10.955 -1.070 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.724 -10.648 -2.181 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.569 -12.193 -0.725 1.00 0.00 N ATOM 0 H ARG A 23 5.644 -4.541 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 23 7.931 -6.328 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.412 -6.244 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.042 -7.234 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.555 -8.987 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.408 -7.937 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.591 -7.926 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.425 -8.463 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 23 6.203 -10.212 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.555 -9.670 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.415 -11.386 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.046 -12.397 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.274 -12.956 -1.334 1.00 0.00 H new ATOM 368 N GLU A 24 6.278 -6.198 -5.602 1.00 0.00 N ATOM 369 CA GLU A 24 6.286 -6.689 -6.995 1.00 0.00 C ATOM 370 C GLU A 24 7.557 -6.233 -7.680 1.00 0.00 C ATOM 371 O GLU A 24 8.091 -6.916 -8.525 1.00 0.00 O ATOM 372 CB GLU A 24 5.078 -6.084 -7.733 1.00 0.00 C ATOM 373 CG GLU A 24 4.921 -6.773 -9.092 1.00 0.00 C ATOM 374 CD GLU A 24 3.554 -6.423 -9.683 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.496 -5.401 -10.347 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.645 -7.199 -9.438 1.00 0.00 O ATOM 0 H GLU A 24 5.657 -5.410 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 24 6.234 -7.778 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.173 -6.213 -7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.220 -5.012 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.714 -6.454 -9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.015 -7.853 -8.978 1.00 0.00 H new ATOM 383 N GLU A 25 8.015 -5.071 -7.287 1.00 0.00 N ATOM 384 CA GLU A 25 9.249 -4.511 -7.875 1.00 0.00 C ATOM 385 C GLU A 25 10.484 -5.140 -7.211 1.00 0.00 C ATOM 386 O GLU A 25 11.524 -5.278 -7.825 1.00 0.00 O ATOM 387 CB GLU A 25 9.198 -2.945 -7.644 1.00 0.00 C ATOM 388 CG GLU A 25 10.386 -2.448 -6.787 1.00 0.00 C ATOM 389 CD GLU A 25 10.284 -0.926 -6.601 1.00 0.00 C ATOM 390 OE1 GLU A 25 9.166 -0.473 -6.423 1.00 0.00 O ATOM 391 OE2 GLU A 25 11.334 -0.306 -6.643 1.00 0.00 O ATOM 0 H GLU A 25 7.575 -4.487 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 25 9.319 -4.730 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.208 -2.436 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.261 -2.681 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.381 -2.945 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.329 -2.703 -7.271 1.00 0.00 H new ATOM 398 N HIS A 26 10.325 -5.508 -5.973 1.00 0.00 N ATOM 399 CA HIS A 26 11.450 -6.131 -5.222 1.00 0.00 C ATOM 400 C HIS A 26 11.557 -7.621 -5.557 1.00 0.00 C ATOM 401 O HIS A 26 12.629 -8.169 -5.617 1.00 0.00 O ATOM 402 CB HIS A 26 11.146 -5.928 -3.706 1.00 0.00 C ATOM 403 CG HIS A 26 11.822 -6.988 -2.837 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.719 -6.759 -2.005 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.557 -8.337 -2.732 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.052 -7.803 -1.382 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.364 -8.872 -1.780 1.00 0.00 N ATOM 0 H HIS A 26 9.459 -5.404 -5.444 1.00 0.00 H new ATOM 0 HA HIS A 26 12.401 -5.672 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.484 -4.938 -3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.068 -5.961 -3.545 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.133 -5.840 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.826 -8.880 -3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.809 -7.828 -0.613 1.00 0.00 H new ATOM 415 N LYS A 27 10.448 -8.243 -5.777 1.00 0.00 N ATOM 416 CA LYS A 27 10.487 -9.684 -6.105 1.00 0.00 C ATOM 417 C LYS A 27 11.276 -9.928 -7.401 1.00 0.00 C ATOM 418 O LYS A 27 11.664 -11.044 -7.691 1.00 0.00 O ATOM 419 CB LYS A 27 9.029 -10.165 -6.299 1.00 0.00 C ATOM 420 CG LYS A 27 9.020 -11.577 -6.904 1.00 0.00 C ATOM 421 CD LYS A 27 7.651 -12.219 -6.680 1.00 0.00 C ATOM 422 CE LYS A 27 7.653 -13.621 -7.283 1.00 0.00 C ATOM 423 NZ LYS A 27 6.317 -14.254 -7.132 1.00 0.00 N ATOM 0 H LYS A 27 9.519 -7.822 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 27 10.978 -10.229 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.507 -10.167 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.494 -9.476 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.241 -11.529 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.799 -12.186 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.429 -12.268 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.871 -11.613 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.920 -13.569 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.410 -14.233 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.336 -15.207 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.077 -14.321 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.602 -13.677 -7.620 1.00 0.00 H new ATOM 437 N LYS A 28 11.514 -8.869 -8.142 1.00 0.00 N ATOM 438 CA LYS A 28 12.272 -9.015 -9.424 1.00 0.00 C ATOM 439 C LYS A 28 13.791 -9.079 -9.218 1.00 0.00 C ATOM 440 O LYS A 28 14.514 -9.357 -10.155 1.00 0.00 O ATOM 441 CB LYS A 28 11.947 -7.797 -10.318 1.00 0.00 C ATOM 442 CG LYS A 28 10.427 -7.766 -10.617 1.00 0.00 C ATOM 443 CD LYS A 28 10.114 -8.641 -11.850 1.00 0.00 C ATOM 444 CE LYS A 28 8.626 -9.015 -11.844 1.00 0.00 C ATOM 445 NZ LYS A 28 7.785 -7.808 -11.605 1.00 0.00 N ATOM 0 H LYS A 28 11.218 -7.919 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 28 11.968 -9.955 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.249 -6.876 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.510 -7.855 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.870 -8.128 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.104 -6.741 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.361 -8.102 -12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.727 -9.542 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.356 -9.471 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.435 -9.758 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.807 -8.002 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.800 -7.569 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.160 -7.009 -12.155 1.00 0.00 H new ATOM 459 N LYS A 29 14.262 -8.818 -8.017 1.00 0.00 N ATOM 460 CA LYS A 29 15.746 -8.880 -7.806 1.00 0.00 C ATOM 461 C LYS A 29 16.128 -8.943 -6.317 1.00 0.00 C ATOM 462 O LYS A 29 16.970 -8.194 -5.859 1.00 0.00 O ATOM 463 CB LYS A 29 16.416 -7.639 -8.474 1.00 0.00 C ATOM 464 CG LYS A 29 15.764 -6.338 -7.975 1.00 0.00 C ATOM 465 CD LYS A 29 16.061 -5.206 -8.978 1.00 0.00 C ATOM 466 CE LYS A 29 15.473 -3.886 -8.460 1.00 0.00 C ATOM 467 NZ LYS A 29 14.029 -3.784 -8.813 1.00 0.00 N ATOM 0 H LYS A 29 13.704 -8.573 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 29 16.106 -9.800 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.482 -7.628 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.321 -7.707 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.688 -6.474 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.151 -6.078 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.137 -5.105 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.634 -5.448 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.594 -3.827 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.018 -3.045 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.697 -2.814 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.900 -4.021 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.481 -4.446 -8.228 1.00 0.00 H new ATOM 481 N HIS A 30 15.487 -9.846 -5.595 1.00 0.00 N ATOM 482 CA HIS A 30 15.781 -10.005 -4.128 1.00 0.00 C ATOM 483 C HIS A 30 15.573 -11.484 -3.702 1.00 0.00 C ATOM 484 O HIS A 30 14.675 -11.799 -2.943 1.00 0.00 O ATOM 485 CB HIS A 30 14.799 -9.130 -3.306 1.00 0.00 C ATOM 486 CG HIS A 30 15.191 -7.643 -3.361 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.617 -6.988 -2.385 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.111 -6.734 -4.400 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.813 -5.773 -2.684 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.519 -5.511 -3.958 1.00 0.00 N ATOM 0 H HIS A 30 14.774 -10.477 -5.961 1.00 0.00 H new ATOM 0 HA HIS A 30 16.812 -9.702 -3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.787 -9.256 -3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.789 -9.467 -2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.778 -6.958 -5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.177 -5.033 -1.986 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.583 -4.629 -4.467 1.00 0.00 H new ATOM 498 N PRO A 31 16.405 -12.376 -4.221 1.00 0.00 N ATOM 499 CA PRO A 31 16.293 -13.800 -3.887 1.00 0.00 C ATOM 500 C PRO A 31 16.838 -14.099 -2.482 1.00 0.00 C ATOM 501 O PRO A 31 16.481 -15.086 -1.874 1.00 0.00 O ATOM 502 CB PRO A 31 17.171 -14.519 -4.960 1.00 0.00 C ATOM 503 CG PRO A 31 18.023 -13.411 -5.667 1.00 0.00 C ATOM 504 CD PRO A 31 17.466 -12.041 -5.193 1.00 0.00 C ATOM 0 HA PRO A 31 15.254 -14.130 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.816 -15.264 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.546 -15.045 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.077 -13.510 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.952 -13.502 -6.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.247 -11.436 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.068 -11.466 -6.029 1.00 0.00 H new ATOM 512 N ASP A 32 17.687 -13.239 -2.008 1.00 0.00 N ATOM 513 CA ASP A 32 18.272 -13.448 -0.652 1.00 0.00 C ATOM 514 C ASP A 32 17.297 -13.067 0.451 1.00 0.00 C ATOM 515 O ASP A 32 17.121 -13.792 1.411 1.00 0.00 O ATOM 516 CB ASP A 32 19.522 -12.559 -0.528 1.00 0.00 C ATOM 517 CG ASP A 32 19.107 -11.085 -0.568 1.00 0.00 C ATOM 518 OD1 ASP A 32 18.483 -10.725 -1.551 1.00 0.00 O ATOM 519 OD2 ASP A 32 19.438 -10.405 0.390 1.00 0.00 O ATOM 0 H ASP A 32 18.004 -12.401 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 32 18.513 -14.505 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.044 -12.776 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.216 -12.774 -1.340 1.00 0.00 H new ATOM 524 N ALA A 33 16.691 -11.942 0.293 1.00 0.00 N ATOM 525 CA ALA A 33 15.723 -11.476 1.311 1.00 0.00 C ATOM 526 C ALA A 33 14.563 -12.453 1.492 1.00 0.00 C ATOM 527 O ALA A 33 14.091 -12.651 2.594 1.00 0.00 O ATOM 528 CB ALA A 33 15.156 -10.129 0.849 1.00 0.00 C ATOM 0 H ALA A 33 16.822 -11.316 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 33 16.244 -11.393 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.439 -9.765 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.968 -9.409 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.658 -10.254 -0.112 1.00 0.00 H new ATOM 534 N SER A 34 14.117 -13.037 0.409 1.00 0.00 N ATOM 535 CA SER A 34 12.985 -14.001 0.498 1.00 0.00 C ATOM 536 C SER A 34 11.731 -13.316 1.051 1.00 0.00 C ATOM 537 O SER A 34 10.684 -13.924 1.149 1.00 0.00 O ATOM 538 CB SER A 34 13.392 -15.165 1.426 1.00 0.00 C ATOM 539 OG SER A 34 14.801 -15.261 1.263 1.00 0.00 O ATOM 0 H SER A 34 14.488 -12.887 -0.529 1.00 0.00 H new ATOM 0 HA SER A 34 12.758 -14.377 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.123 -14.961 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.894 -16.093 1.144 1.00 0.00 H new ATOM 0 HG SER A 34 15.147 -15.985 1.826 1.00 0.00 H new ATOM 545 N VAL A 35 11.875 -12.055 1.387 1.00 0.00 N ATOM 546 CA VAL A 35 10.734 -11.271 1.937 1.00 0.00 C ATOM 547 C VAL A 35 9.955 -12.023 3.013 1.00 0.00 C ATOM 548 O VAL A 35 8.946 -12.641 2.735 1.00 0.00 O ATOM 549 CB VAL A 35 9.788 -10.944 0.776 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.594 -10.093 1.291 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.564 -10.159 -0.282 1.00 0.00 C ATOM 0 H VAL A 35 12.748 -11.534 1.300 1.00 0.00 H new ATOM 0 HA VAL A 35 11.137 -10.374 2.407 1.00 0.00 H new ATOM 0 HB VAL A 35 9.400 -11.867 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.926 -9.864 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.050 -10.653 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.968 -9.164 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.903 -9.919 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.945 -9.236 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.398 -10.761 -0.643 1.00 0.00 H new ATOM 561 N ASN A 36 10.436 -11.949 4.224 1.00 0.00 N ATOM 562 CA ASN A 36 9.740 -12.647 5.334 1.00 0.00 C ATOM 563 C ASN A 36 8.549 -11.813 5.798 1.00 0.00 C ATOM 564 O ASN A 36 7.908 -12.125 6.781 1.00 0.00 O ATOM 565 CB ASN A 36 10.724 -12.793 6.505 1.00 0.00 C ATOM 566 CG ASN A 36 12.026 -13.420 6.000 1.00 0.00 C ATOM 567 OD1 ASN A 36 12.711 -12.800 5.080 1.00 0.00 O flip ATOM 568 ND2 ASN A 36 12.429 -14.478 6.439 1.00 0.00 N flip ATOM 0 H ASN A 36 11.277 -11.437 4.489 1.00 0.00 H new ATOM 0 HA ASN A 36 9.392 -13.623 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.925 -11.818 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.287 -13.415 7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.897 -14.967 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.299 -14.877 6.088 1.00 0.00 H new ATOM 575 N PHE A 37 8.283 -10.762 5.067 1.00 0.00 N ATOM 576 CA PHE A 37 7.148 -9.874 5.422 1.00 0.00 C ATOM 577 C PHE A 37 7.289 -9.383 6.871 1.00 0.00 C ATOM 578 O PHE A 37 6.322 -9.029 7.521 1.00 0.00 O ATOM 579 CB PHE A 37 5.804 -10.664 5.209 1.00 0.00 C ATOM 580 CG PHE A 37 4.951 -9.918 4.167 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.560 -8.610 4.398 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.629 -10.512 2.959 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.867 -7.909 3.435 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.935 -9.807 1.998 1.00 0.00 C ATOM 585 CZ PHE A 37 3.557 -8.504 2.237 1.00 0.00 C ATOM 0 H PHE A 37 8.807 -10.484 4.238 1.00 0.00 H new ATOM 0 HA PHE A 37 7.145 -8.993 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.012 -11.679 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.262 -10.748 6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.800 -8.136 5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.923 -11.534 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.567 -6.889 3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.688 -10.277 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.017 -7.951 1.483 1.00 0.00 H new ATOM 595 N SER A 38 8.521 -9.364 7.320 1.00 0.00 N ATOM 596 CA SER A 38 8.836 -8.912 8.706 1.00 0.00 C ATOM 597 C SER A 38 10.161 -8.171 8.679 1.00 0.00 C ATOM 598 O SER A 38 10.667 -7.742 9.698 1.00 0.00 O ATOM 599 CB SER A 38 8.953 -10.153 9.618 1.00 0.00 C ATOM 600 OG SER A 38 8.684 -9.650 10.921 1.00 0.00 O ATOM 0 H SER A 38 9.333 -9.648 6.772 1.00 0.00 H new ATOM 0 HA SER A 38 8.053 -8.255 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.239 -10.926 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.946 -10.599 9.560 1.00 0.00 H new ATOM 0 HG SER A 38 9.130 -8.785 11.036 1.00 0.00 H new ATOM 606 N GLU A 39 10.691 -8.052 7.475 1.00 0.00 N ATOM 607 CA GLU A 39 11.990 -7.353 7.258 1.00 0.00 C ATOM 608 C GLU A 39 11.916 -6.552 5.966 1.00 0.00 C ATOM 609 O GLU A 39 12.641 -5.597 5.772 1.00 0.00 O ATOM 610 CB GLU A 39 13.098 -8.417 7.116 1.00 0.00 C ATOM 611 CG GLU A 39 13.384 -9.048 8.486 1.00 0.00 C ATOM 612 CD GLU A 39 14.088 -8.027 9.382 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.284 -7.877 9.197 1.00 0.00 O ATOM 614 OE2 GLU A 39 13.390 -7.456 10.204 1.00 0.00 O ATOM 0 H GLU A 39 10.263 -8.420 6.625 1.00 0.00 H new ATOM 0 HA GLU A 39 12.202 -6.688 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.789 -9.186 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.005 -7.962 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.453 -9.373 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.008 -9.934 8.367 1.00 0.00 H new ATOM 621 N PHE A 40 11.027 -6.969 5.104 1.00 0.00 N ATOM 622 CA PHE A 40 10.858 -6.273 3.809 1.00 0.00 C ATOM 623 C PHE A 40 10.082 -4.978 3.998 1.00 0.00 C ATOM 624 O PHE A 40 10.519 -3.935 3.573 1.00 0.00 O ATOM 625 CB PHE A 40 10.074 -7.203 2.872 1.00 0.00 C ATOM 626 CG PHE A 40 9.752 -6.466 1.573 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.770 -5.979 0.774 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.439 -6.269 1.182 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.481 -5.310 -0.390 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.152 -5.600 0.019 1.00 0.00 C ATOM 631 CZ PHE A 40 9.172 -5.118 -0.770 1.00 0.00 C ATOM 0 H PHE A 40 10.410 -7.768 5.249 1.00 0.00 H new ATOM 0 HA PHE A 40 11.835 -6.031 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.658 -8.098 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.153 -7.530 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.799 -6.126 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.634 -6.645 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.282 -4.934 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.124 -5.451 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.946 -4.591 -1.685 1.00 0.00 H new ATOM 641 N SER A 41 8.916 -5.083 4.584 1.00 0.00 N ATOM 642 CA SER A 41 8.102 -3.866 4.813 1.00 0.00 C ATOM 643 C SER A 41 8.929 -2.818 5.530 1.00 0.00 C ATOM 644 O SER A 41 8.656 -1.656 5.446 1.00 0.00 O ATOM 645 CB SER A 41 6.895 -4.244 5.688 1.00 0.00 C ATOM 646 OG SER A 41 6.176 -3.027 5.835 1.00 0.00 O ATOM 0 H SER A 41 8.500 -5.956 4.909 1.00 0.00 H new ATOM 0 HA SER A 41 7.768 -3.462 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.284 -5.012 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.211 -4.639 6.654 1.00 0.00 H new ATOM 0 HG SER A 41 5.380 -3.182 6.386 1.00 0.00 H new ATOM 652 N LYS A 42 9.922 -3.249 6.246 1.00 0.00 N ATOM 653 CA LYS A 42 10.748 -2.264 6.949 1.00 0.00 C ATOM 654 C LYS A 42 11.388 -1.352 5.911 1.00 0.00 C ATOM 655 O LYS A 42 11.547 -0.162 6.118 1.00 0.00 O ATOM 656 CB LYS A 42 11.847 -3.017 7.729 1.00 0.00 C ATOM 657 CG LYS A 42 12.356 -2.134 8.877 1.00 0.00 C ATOM 658 CD LYS A 42 13.700 -2.679 9.380 1.00 0.00 C ATOM 659 CE LYS A 42 13.559 -4.177 9.692 1.00 0.00 C ATOM 660 NZ LYS A 42 14.696 -4.644 10.529 1.00 0.00 N ATOM 0 H LYS A 42 10.188 -4.226 6.369 1.00 0.00 H new ATOM 0 HA LYS A 42 10.149 -1.672 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.451 -3.953 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.670 -3.275 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.473 -1.105 8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.630 -2.120 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.472 -2.524 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.013 -2.138 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.618 -4.359 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.526 -4.746 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.621 -5.671 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.593 -4.426 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.670 -4.162 11.450 1.00 0.00 H new ATOM 674 N LYS A 43 11.729 -1.950 4.797 1.00 0.00 N ATOM 675 CA LYS A 43 12.353 -1.197 3.708 1.00 0.00 C ATOM 676 C LYS A 43 11.313 -0.353 2.955 1.00 0.00 C ATOM 677 O LYS A 43 11.527 0.821 2.715 1.00 0.00 O ATOM 678 CB LYS A 43 12.993 -2.232 2.730 1.00 0.00 C ATOM 679 CG LYS A 43 14.343 -1.700 2.217 1.00 0.00 C ATOM 680 CD LYS A 43 15.447 -1.962 3.274 1.00 0.00 C ATOM 681 CE LYS A 43 16.034 -3.373 3.082 1.00 0.00 C ATOM 682 NZ LYS A 43 16.521 -3.552 1.685 1.00 0.00 N ATOM 0 H LYS A 43 11.592 -2.943 4.609 1.00 0.00 H new ATOM 0 HA LYS A 43 13.103 -0.517 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.137 -3.185 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.322 -2.416 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.603 -2.188 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.269 -0.632 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.236 -1.215 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.032 -1.865 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.855 -3.530 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.275 -4.122 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.339 -4.194 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.761 -3.957 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.803 -2.630 1.295 1.00 0.00 H new ATOM 696 N CYS A 44 10.200 -0.963 2.596 1.00 0.00 N ATOM 697 CA CYS A 44 9.171 -0.200 1.873 1.00 0.00 C ATOM 698 C CYS A 44 8.679 0.958 2.720 1.00 0.00 C ATOM 699 O CYS A 44 8.377 2.022 2.217 1.00 0.00 O ATOM 700 CB CYS A 44 8.015 -1.141 1.561 1.00 0.00 C ATOM 701 SG CYS A 44 8.425 -2.725 0.792 1.00 0.00 S ATOM 0 H CYS A 44 9.979 -1.942 2.777 1.00 0.00 H new ATOM 0 HA CYS A 44 9.589 0.207 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.484 -1.344 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.320 -0.617 0.905 1.00 0.00 H new ATOM 0 HG CYS A 44 8.098 -3.694 1.594 1.00 0.00 H new ATOM 707 N SER A 45 8.609 0.725 3.992 1.00 0.00 N ATOM 708 CA SER A 45 8.142 1.799 4.906 1.00 0.00 C ATOM 709 C SER A 45 9.035 3.010 4.761 1.00 0.00 C ATOM 710 O SER A 45 8.571 4.125 4.673 1.00 0.00 O ATOM 711 CB SER A 45 8.230 1.288 6.361 1.00 0.00 C ATOM 712 OG SER A 45 8.173 2.467 7.154 1.00 0.00 O ATOM 0 H SER A 45 8.853 -0.158 4.441 1.00 0.00 H new ATOM 0 HA SER A 45 7.115 2.069 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.408 0.612 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.155 0.737 6.534 1.00 0.00 H new ATOM 0 HG SER A 45 8.222 2.226 8.103 1.00 0.00 H new ATOM 718 N GLU A 46 10.313 2.767 4.741 1.00 0.00 N ATOM 719 CA GLU A 46 11.254 3.890 4.599 1.00 0.00 C ATOM 720 C GLU A 46 11.086 4.543 3.238 1.00 0.00 C ATOM 721 O GLU A 46 11.472 5.680 3.041 1.00 0.00 O ATOM 722 CB GLU A 46 12.687 3.341 4.724 1.00 0.00 C ATOM 723 CG GLU A 46 13.677 4.506 4.669 1.00 0.00 C ATOM 724 CD GLU A 46 15.048 4.033 5.155 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.570 3.138 4.513 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.497 4.596 6.141 1.00 0.00 O ATOM 0 H GLU A 46 10.738 1.843 4.817 1.00 0.00 H new ATOM 0 HA GLU A 46 11.059 4.633 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.800 2.796 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.891 2.636 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.752 4.886 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.323 5.328 5.291 1.00 0.00 H new ATOM 733 N ARG A 47 10.490 3.797 2.321 1.00 0.00 N ATOM 734 CA ARG A 47 10.261 4.313 0.941 1.00 0.00 C ATOM 735 C ARG A 47 8.867 4.941 0.812 1.00 0.00 C ATOM 736 O ARG A 47 8.537 5.510 -0.212 1.00 0.00 O ATOM 737 CB ARG A 47 10.382 3.115 -0.040 1.00 0.00 C ATOM 738 CG ARG A 47 10.819 3.616 -1.426 1.00 0.00 C ATOM 739 CD ARG A 47 11.212 2.416 -2.286 1.00 0.00 C ATOM 740 NE ARG A 47 12.372 1.728 -1.646 1.00 0.00 N ATOM 741 CZ ARG A 47 13.116 0.921 -2.355 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.824 0.733 -3.614 1.00 0.00 N ATOM 743 NH2 ARG A 47 14.129 0.332 -1.781 1.00 0.00 N ATOM 0 H ARG A 47 10.154 2.847 2.482 1.00 0.00 H new ATOM 0 HA ARG A 47 10.998 5.083 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.105 2.394 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.426 2.598 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.008 4.169 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.660 4.303 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.371 1.729 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.474 2.742 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 47 12.583 1.887 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.026 1.213 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.394 0.106 -4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.328 0.505 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.722 -0.301 -2.318 1.00 0.00 H new ATOM 757 N TRP A 48 8.075 4.805 1.867 1.00 0.00 N ATOM 758 CA TRP A 48 6.681 5.373 1.881 1.00 0.00 C ATOM 759 C TRP A 48 6.622 6.583 2.806 1.00 0.00 C ATOM 760 O TRP A 48 6.260 7.668 2.392 1.00 0.00 O ATOM 761 CB TRP A 48 5.771 4.254 2.416 1.00 0.00 C ATOM 762 CG TRP A 48 4.478 4.811 3.018 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.327 5.051 4.302 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.341 4.937 2.375 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.011 5.307 4.424 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.315 5.253 3.237 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.087 4.796 1.031 1.00 0.00 C ATOM 768 CZ2 TRP A 48 1.031 5.412 2.764 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.793 4.965 0.553 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.769 5.269 1.426 1.00 0.00 C ATOM 0 H TRP A 48 8.343 4.320 2.723 1.00 0.00 H new ATOM 0 HA TRP A 48 6.370 5.699 0.888 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.528 3.565 1.607 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.307 3.681 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.080 5.044 5.076 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.568 5.522 5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.890 4.555 0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.230 5.650 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.589 4.858 -0.502 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.238 5.394 1.056 1.00 0.00 H new ATOM 781 N LYS A 49 6.948 6.349 4.041 1.00 0.00 N ATOM 782 CA LYS A 49 6.933 7.459 5.052 1.00 0.00 C ATOM 783 C LYS A 49 7.678 8.676 4.508 1.00 0.00 C ATOM 784 O LYS A 49 7.532 9.780 4.996 1.00 0.00 O ATOM 785 CB LYS A 49 7.700 6.986 6.307 1.00 0.00 C ATOM 786 CG LYS A 49 6.884 5.946 7.081 1.00 0.00 C ATOM 787 CD LYS A 49 7.540 5.744 8.458 1.00 0.00 C ATOM 788 CE LYS A 49 6.693 4.789 9.296 1.00 0.00 C ATOM 789 NZ LYS A 49 5.373 5.401 9.604 1.00 0.00 N ATOM 0 H LYS A 49 7.226 5.438 4.404 1.00 0.00 H new ATOM 0 HA LYS A 49 5.899 7.718 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.659 6.558 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.915 7.839 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.853 6.282 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.853 5.004 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.546 5.342 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.638 6.702 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.550 3.852 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.214 4.548 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.951 4.921 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.500 6.410 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.743 5.300 8.782 1.00 0.00 H new ATOM 803 N THR A 50 8.463 8.431 3.509 1.00 0.00 N ATOM 804 CA THR A 50 9.247 9.508 2.881 1.00 0.00 C ATOM 805 C THR A 50 8.384 10.450 2.070 1.00 0.00 C ATOM 806 O THR A 50 8.571 11.651 2.101 1.00 0.00 O ATOM 807 CB THR A 50 10.240 8.850 1.936 1.00 0.00 C ATOM 808 OG1 THR A 50 10.786 9.905 1.169 1.00 0.00 O ATOM 809 CG2 THR A 50 9.498 7.971 0.916 1.00 0.00 C ATOM 0 H THR A 50 8.595 7.509 3.094 1.00 0.00 H new ATOM 0 HA THR A 50 9.730 10.090 3.666 1.00 0.00 H new ATOM 0 HB THR A 50 10.964 8.263 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.441 9.544 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.219 7.505 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.939 7.197 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.809 8.587 0.338 1.00 0.00 H new ATOM 817 N MET A 51 7.466 9.890 1.352 1.00 0.00 N ATOM 818 CA MET A 51 6.574 10.726 0.524 1.00 0.00 C ATOM 819 C MET A 51 5.862 11.783 1.346 1.00 0.00 C ATOM 820 O MET A 51 5.942 11.785 2.564 1.00 0.00 O ATOM 821 CB MET A 51 5.535 9.812 -0.131 1.00 0.00 C ATOM 822 CG MET A 51 6.257 8.709 -0.921 1.00 0.00 C ATOM 823 SD MET A 51 5.314 7.855 -2.212 1.00 0.00 S ATOM 824 CE MET A 51 4.698 6.486 -1.202 1.00 0.00 C ATOM 0 H MET A 51 7.294 8.886 1.302 1.00 0.00 H new ATOM 0 HA MET A 51 7.176 11.242 -0.223 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.892 9.369 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.892 10.390 -0.795 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.140 9.149 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.609 7.961 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.787 6.087 -1.647 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.453 5.701 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.483 6.845 -0.195 1.00 0.00 H new ATOM 834 N SER A 52 5.146 12.656 0.659 1.00 0.00 N ATOM 835 CA SER A 52 4.401 13.747 1.366 1.00 0.00 C ATOM 836 C SER A 52 2.975 13.314 1.627 1.00 0.00 C ATOM 837 O SER A 52 2.640 12.858 2.701 1.00 0.00 O ATOM 838 CB SER A 52 4.386 14.981 0.439 1.00 0.00 C ATOM 839 OG SER A 52 5.637 15.608 0.677 1.00 0.00 O ATOM 0 H SER A 52 5.049 12.655 -0.356 1.00 0.00 H new ATOM 0 HA SER A 52 4.882 13.974 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.277 14.693 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.555 15.646 0.674 1.00 0.00 H new ATOM 0 HG SER A 52 5.712 16.410 0.120 1.00 0.00 H new ATOM 845 N ALA A 53 2.165 13.470 0.633 1.00 0.00 N ATOM 846 CA ALA A 53 0.759 13.087 0.759 1.00 0.00 C ATOM 847 C ALA A 53 0.158 12.964 -0.615 1.00 0.00 C ATOM 848 O ALA A 53 -0.794 12.242 -0.820 1.00 0.00 O ATOM 849 CB ALA A 53 0.013 14.156 1.545 1.00 0.00 C ATOM 0 H ALA A 53 2.428 13.854 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 53 0.681 12.133 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.035 13.873 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.454 14.253 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.085 15.109 1.021 1.00 0.00 H new ATOM 855 N LYS A 54 0.724 13.689 -1.545 1.00 0.00 N ATOM 856 CA LYS A 54 0.201 13.623 -2.914 1.00 0.00 C ATOM 857 C LYS A 54 0.376 12.207 -3.426 1.00 0.00 C ATOM 858 O LYS A 54 -0.546 11.612 -3.976 1.00 0.00 O ATOM 859 CB LYS A 54 1.002 14.597 -3.800 1.00 0.00 C ATOM 860 CG LYS A 54 1.191 15.926 -3.048 1.00 0.00 C ATOM 861 CD LYS A 54 1.542 17.040 -4.048 1.00 0.00 C ATOM 862 CE LYS A 54 2.815 16.664 -4.825 1.00 0.00 C ATOM 863 NZ LYS A 54 2.479 15.803 -5.996 1.00 0.00 N ATOM 0 H LYS A 54 1.518 14.314 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.854 13.897 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.971 14.166 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.477 14.768 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.280 16.182 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.984 15.826 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.714 17.193 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.693 17.981 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.321 17.568 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.508 16.139 -4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.972 16.157 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.778 14.825 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.452 15.825 -6.160 1.00 0.00 H new ATOM 877 N GLU A 55 1.561 11.669 -3.225 1.00 0.00 N ATOM 878 CA GLU A 55 1.788 10.300 -3.696 1.00 0.00 C ATOM 879 C GLU A 55 0.990 9.367 -2.821 1.00 0.00 C ATOM 880 O GLU A 55 0.212 8.573 -3.287 1.00 0.00 O ATOM 881 CB GLU A 55 3.278 9.961 -3.563 1.00 0.00 C ATOM 882 CG GLU A 55 4.109 11.096 -4.161 1.00 0.00 C ATOM 883 CD GLU A 55 3.706 11.300 -5.621 1.00 0.00 C ATOM 884 OE1 GLU A 55 3.900 10.360 -6.373 1.00 0.00 O ATOM 885 OE2 GLU A 55 3.226 12.386 -5.902 1.00 0.00 O ATOM 0 H GLU A 55 2.351 12.122 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 55 1.485 10.201 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.538 9.818 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.497 9.025 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.951 12.015 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.171 10.859 -4.094 1.00 0.00 H new ATOM 892 N LYS A 56 1.157 9.516 -1.547 1.00 0.00 N ATOM 893 CA LYS A 56 0.412 8.645 -0.638 1.00 0.00 C ATOM 894 C LYS A 56 -1.078 8.908 -0.835 1.00 0.00 C ATOM 895 O LYS A 56 -1.918 8.260 -0.248 1.00 0.00 O ATOM 896 CB LYS A 56 0.800 8.983 0.824 1.00 0.00 C ATOM 897 CG LYS A 56 2.338 9.163 0.937 1.00 0.00 C ATOM 898 CD LYS A 56 2.717 9.665 2.368 1.00 0.00 C ATOM 899 CE LYS A 56 3.016 8.476 3.300 1.00 0.00 C ATOM 900 NZ LYS A 56 1.752 7.825 3.740 1.00 0.00 N ATOM 0 H LYS A 56 1.773 10.199 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 56 0.642 7.599 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.295 9.895 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.469 8.186 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.839 8.217 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.684 9.877 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.589 10.317 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.901 10.259 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.644 7.751 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.576 8.820 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.752 7.731 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.941 8.406 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.678 6.882 3.307 1.00 0.00 H new ATOM 914 N GLY A 57 -1.358 9.876 -1.683 1.00 0.00 N ATOM 915 CA GLY A 57 -2.770 10.254 -1.980 1.00 0.00 C ATOM 916 C GLY A 57 -3.479 9.229 -2.883 1.00 0.00 C ATOM 917 O GLY A 57 -4.481 8.671 -2.491 1.00 0.00 O ATOM 0 H GLY A 57 -0.656 10.422 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.321 10.351 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.787 11.231 -2.463 1.00 0.00 H new ATOM 921 N LYS A 58 -2.972 8.993 -4.084 1.00 0.00 N ATOM 922 CA LYS A 58 -3.687 7.993 -4.937 1.00 0.00 C ATOM 923 C LYS A 58 -3.607 6.614 -4.295 1.00 0.00 C ATOM 924 O LYS A 58 -4.279 5.687 -4.714 1.00 0.00 O ATOM 925 CB LYS A 58 -3.117 8.005 -6.403 1.00 0.00 C ATOM 926 CG LYS A 58 -1.949 7.019 -6.590 1.00 0.00 C ATOM 927 CD LYS A 58 -0.804 7.406 -5.647 1.00 0.00 C ATOM 928 CE LYS A 58 0.524 6.902 -6.203 1.00 0.00 C ATOM 929 NZ LYS A 58 0.768 7.453 -7.565 1.00 0.00 N ATOM 0 H LYS A 58 -2.141 9.426 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.741 8.264 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.915 7.754 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.781 9.012 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.280 6.002 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.605 7.036 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.770 8.489 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.978 6.982 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.336 7.193 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.518 5.813 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.787 7.612 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.427 6.778 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.260 8.354 -7.671 1.00 0.00 H new ATOM 943 N PHE A 59 -2.788 6.514 -3.258 1.00 0.00 N ATOM 944 CA PHE A 59 -2.638 5.210 -2.547 1.00 0.00 C ATOM 945 C PHE A 59 -3.711 5.159 -1.485 1.00 0.00 C ATOM 946 O PHE A 59 -4.181 4.107 -1.098 1.00 0.00 O ATOM 947 CB PHE A 59 -1.248 5.160 -1.858 1.00 0.00 C ATOM 948 CG PHE A 59 -0.195 4.586 -2.823 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.341 3.315 -3.354 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.925 5.329 -3.167 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.611 2.805 -4.210 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.871 4.814 -4.021 1.00 0.00 C ATOM 953 CZ PHE A 59 1.715 3.554 -4.543 1.00 0.00 C ATOM 0 H PHE A 59 -2.226 7.279 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.726 4.374 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.955 6.161 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.302 4.545 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.205 2.721 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.055 6.321 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.490 1.814 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.739 5.402 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.459 3.151 -5.215 1.00 0.00 H new ATOM 963 N GLU A 60 -4.075 6.332 -1.034 1.00 0.00 N ATOM 964 CA GLU A 60 -5.112 6.437 0.000 1.00 0.00 C ATOM 965 C GLU A 60 -6.444 6.135 -0.652 1.00 0.00 C ATOM 966 O GLU A 60 -7.410 5.791 0.002 1.00 0.00 O ATOM 967 CB GLU A 60 -5.095 7.909 0.552 1.00 0.00 C ATOM 968 CG GLU A 60 -4.667 7.921 2.031 1.00 0.00 C ATOM 969 CD GLU A 60 -5.745 7.245 2.887 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.897 7.597 2.690 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.354 6.420 3.694 1.00 0.00 O ATOM 0 H GLU A 60 -3.687 7.221 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.941 5.740 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.409 8.517 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.084 8.354 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.716 7.401 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.513 8.947 2.367 1.00 0.00 H new ATOM 978 N ASP A 61 -6.454 6.275 -1.950 1.00 0.00 N ATOM 979 CA ASP A 61 -7.688 6.010 -2.718 1.00 0.00 C ATOM 980 C ASP A 61 -7.839 4.520 -2.938 1.00 0.00 C ATOM 981 O ASP A 61 -8.930 3.992 -2.918 1.00 0.00 O ATOM 982 CB ASP A 61 -7.561 6.714 -4.073 1.00 0.00 C ATOM 983 CG ASP A 61 -8.869 6.562 -4.852 1.00 0.00 C ATOM 984 OD1 ASP A 61 -8.981 5.553 -5.528 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.682 7.462 -4.727 1.00 0.00 O ATOM 0 H ASP A 61 -5.651 6.564 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.559 6.378 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.333 7.770 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.735 6.286 -4.641 1.00 0.00 H new ATOM 990 N MET A 62 -6.739 3.857 -3.171 1.00 0.00 N ATOM 991 CA MET A 62 -6.826 2.411 -3.387 1.00 0.00 C ATOM 992 C MET A 62 -7.265 1.752 -2.098 1.00 0.00 C ATOM 993 O MET A 62 -8.167 0.941 -2.091 1.00 0.00 O ATOM 994 CB MET A 62 -5.434 1.870 -3.796 1.00 0.00 C ATOM 995 CG MET A 62 -5.145 2.190 -5.286 1.00 0.00 C ATOM 996 SD MET A 62 -3.939 1.146 -6.140 1.00 0.00 S ATOM 997 CE MET A 62 -2.524 1.507 -5.074 1.00 0.00 C ATOM 0 H MET A 62 -5.803 4.259 -3.218 1.00 0.00 H new ATOM 0 HA MET A 62 -7.544 2.194 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.664 2.316 -3.166 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.394 0.793 -3.635 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.087 2.133 -5.832 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.802 3.223 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.672 0.902 -5.383 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.267 2.563 -5.155 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.779 1.274 -4.040 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.620 2.108 -1.024 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.002 1.507 0.266 1.00 0.00 C ATOM 1009 C ALA A 63 -8.467 1.820 0.554 1.00 0.00 C ATOM 1010 O ALA A 63 -9.155 1.054 1.199 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.111 2.112 1.372 1.00 0.00 C ATOM 0 H ALA A 63 -5.855 2.782 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.869 0.426 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.381 1.678 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.065 1.895 1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.257 3.192 1.407 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.921 2.952 0.063 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.329 3.327 0.295 1.00 0.00 C ATOM 1019 C LYS A 64 -11.224 2.490 -0.599 1.00 0.00 C ATOM 1020 O LYS A 64 -12.360 2.203 -0.266 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.510 4.816 -0.046 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.969 5.217 0.207 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.091 6.763 0.245 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.829 7.274 1.670 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.878 6.774 2.604 1.00 0.00 N ATOM 0 H LYS A 64 -8.373 3.618 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.595 3.153 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.842 5.425 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.246 4.998 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.608 4.812 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.314 4.793 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.378 7.210 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.086 7.066 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.846 6.943 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.818 8.364 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.993 7.446 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.780 6.679 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.594 5.847 2.981 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.692 2.104 -1.732 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.483 1.290 -2.656 1.00 0.00 C ATOM 1041 C ALA A 65 -11.622 -0.097 -2.095 1.00 0.00 C ATOM 1042 O ALA A 65 -12.663 -0.717 -2.190 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.756 1.222 -4.008 1.00 0.00 C ATOM 0 H ALA A 65 -9.746 2.325 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.471 1.731 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.338 0.617 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.641 2.228 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.773 0.772 -3.870 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.563 -0.558 -1.511 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.590 -1.903 -0.925 1.00 0.00 C ATOM 1051 C ASP A 66 -11.502 -1.881 0.284 1.00 0.00 C ATOM 1052 O ASP A 66 -12.125 -2.864 0.622 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.155 -2.287 -0.489 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.040 -3.811 -0.402 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.954 -4.392 0.157 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.041 -4.308 -0.898 1.00 0.00 O ATOM 0 H ASP A 66 -9.680 -0.056 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.955 -2.631 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.430 -1.897 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.924 -1.838 0.477 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.558 -0.743 0.923 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.418 -0.627 2.102 1.00 0.00 C ATOM 1063 C LYS A 67 -13.846 -0.972 1.718 1.00 0.00 C ATOM 1064 O LYS A 67 -14.569 -1.567 2.482 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.362 0.828 2.616 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.798 0.863 4.084 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.657 2.293 4.609 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.263 2.382 6.013 1.00 0.00 C ATOM 1069 NZ LYS A 67 -12.566 1.451 6.945 1.00 0.00 N ATOM 0 H LYS A 67 -11.042 0.100 0.670 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.078 -1.310 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.351 1.223 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.013 1.463 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.831 0.527 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.186 0.182 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.606 2.580 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.161 2.989 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.185 3.404 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.325 2.138 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.805 1.699 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.868 0.475 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.538 1.529 6.809 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.228 -0.582 0.526 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.601 -0.881 0.079 1.00 0.00 C ATOM 1085 C ALA A 68 -15.755 -2.364 -0.219 1.00 0.00 C ATOM 1086 O ALA A 68 -16.812 -2.932 -0.026 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.885 -0.084 -1.204 1.00 0.00 C ATOM 0 H ALA A 68 -13.647 -0.076 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.301 -0.606 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.898 -0.295 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.786 0.982 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.173 -0.373 -1.977 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.699 -2.962 -0.681 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.763 -4.412 -0.997 1.00 0.00 C ATOM 1095 C ARG A 69 -14.876 -5.234 0.280 1.00 0.00 C ATOM 1096 O ARG A 69 -15.367 -6.344 0.268 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.473 -4.816 -1.732 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.371 -4.039 -3.060 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.441 -4.537 -4.057 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.693 -3.753 -3.857 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.824 -4.215 -4.322 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.828 -5.359 -4.950 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.911 -3.517 -4.142 1.00 0.00 N ATOM 0 H ARG A 69 -13.799 -2.514 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.638 -4.600 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.605 -4.605 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.473 -5.889 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.504 -2.973 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.377 -4.167 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.084 -4.422 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.633 -5.599 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.667 -2.862 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.958 -5.877 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.701 -5.735 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.869 -2.627 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.803 -3.861 -4.498 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.412 -4.672 1.361 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.480 -5.400 2.651 1.00 0.00 C ATOM 1119 C TYR A 70 -15.907 -5.402 3.194 1.00 0.00 C ATOM 1120 O TYR A 70 -16.341 -6.367 3.788 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.552 -4.676 3.654 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.739 -5.251 5.064 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.827 -4.884 5.835 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.818 -6.134 5.588 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.988 -5.393 7.107 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.979 -6.641 6.863 1.00 0.00 C ATOM 1127 CZ TYR A 70 -14.065 -6.275 7.630 1.00 0.00 C ATOM 1128 OH TYR A 70 -14.229 -6.787 8.903 1.00 0.00 O ATOM 0 H TYR A 70 -13.991 -3.744 1.404 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.168 -6.434 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.513 -4.787 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.771 -3.608 3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.556 -4.193 5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.964 -6.431 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.843 -5.099 7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.249 -7.329 7.262 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.487 -7.393 9.110 1.00 0.00 H new