USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 134:sc= 1.29 USER MOD Set 1.2: A 61 CYS SG : rot 109:sc= 1.11 USER MOD Set 1.3: A 66 CYS SG : rot 142:sc= 1.04 USER MOD Set 1.4: A 70 HIS : no HD1:sc=-0.00245 X(o=3.4,f=3.2) USER MOD Set 2.1: A 19 CYS SG : rot 134:sc= 0.903 USER MOD Set 2.2: A 27 CYS SG : rot 139:sc= 0.877 USER MOD Set 2.3: A 34 CYS SG : rot 126:sc= 1.06 USER MOD Set 2.4: A 38 HIS : no HE2:sc= -0.173 K(o=2.7,f=0.54) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 70:sc= 0.484 USER MOD Single : A 23 GLN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-9.92e-05) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0154) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0.467 USER MOD Single : A 44 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.67) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -44:sc= 0.212 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 72:sc= 0.0693 USER MOD Single : A 78 GLN : amide:sc= 0.714 K(o=0.71,f=-0.034) USER MOD Single : A 82 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.534 7.935 11.654 1.00 0.00 N ATOM 143 CA ASP A 10 24.513 8.943 11.972 1.00 0.00 C ATOM 144 C ASP A 10 23.175 8.280 12.363 1.00 0.00 C ATOM 145 O ASP A 10 22.387 7.886 11.507 1.00 0.00 O ATOM 146 CB ASP A 10 24.323 9.856 10.743 1.00 0.00 C ATOM 147 CG ASP A 10 23.463 11.096 11.028 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.756 11.117 12.064 1.00 0.00 O ATOM 149 OD2 ASP A 10 23.527 12.045 10.212 1.00 0.00 O ATOM 0 HA ASP A 10 24.845 9.532 12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.301 10.177 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.862 9.280 9.941 1.00 0.00 H new ATOM 154 N THR A 11 22.874 8.177 13.658 1.00 0.00 N ATOM 155 CA THR A 11 21.631 7.548 14.163 1.00 0.00 C ATOM 156 C THR A 11 20.320 8.140 13.617 1.00 0.00 C ATOM 157 O THR A 11 19.284 7.483 13.719 1.00 0.00 O ATOM 158 CB THR A 11 21.576 7.467 15.700 1.00 0.00 C ATOM 159 OG1 THR A 11 21.697 8.729 16.313 1.00 0.00 O ATOM 160 CG2 THR A 11 22.681 6.581 16.270 1.00 0.00 C ATOM 0 H THR A 11 23.482 8.526 14.398 1.00 0.00 H new ATOM 0 HA THR A 11 21.696 6.538 13.759 1.00 0.00 H new ATOM 0 HB THR A 11 20.597 7.040 15.919 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.655 8.625 17.287 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.602 6.554 17.357 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.578 5.571 15.874 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.653 6.984 15.987 1.00 0.00 H new ATOM 168 N LYS A 12 20.339 9.319 12.971 1.00 0.00 N ATOM 169 CA LYS A 12 19.161 9.952 12.343 1.00 0.00 C ATOM 170 C LYS A 12 18.499 9.063 11.278 1.00 0.00 C ATOM 171 O LYS A 12 17.279 9.114 11.105 1.00 0.00 O ATOM 172 CB LYS A 12 19.576 11.319 11.766 1.00 0.00 C ATOM 173 CG LYS A 12 18.434 12.174 11.190 1.00 0.00 C ATOM 174 CD LYS A 12 17.332 12.479 12.214 1.00 0.00 C ATOM 175 CE LYS A 12 16.307 13.454 11.630 1.00 0.00 C ATOM 176 NZ LYS A 12 15.231 13.738 12.603 1.00 0.00 N ATOM 0 H LYS A 12 21.190 9.872 12.868 1.00 0.00 H new ATOM 0 HA LYS A 12 18.401 10.095 13.111 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.071 11.889 12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.313 11.153 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.844 13.112 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.995 11.656 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.836 11.554 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.774 12.904 13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.803 14.383 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.878 13.034 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.549 14.401 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.745 12.853 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.641 14.160 13.461 1.00 0.00 H new ATOM 190 N TRP A 13 19.272 8.219 10.585 1.00 0.00 N ATOM 191 CA TRP A 13 18.716 7.274 9.605 1.00 0.00 C ATOM 192 C TRP A 13 18.183 5.994 10.275 1.00 0.00 C ATOM 193 O TRP A 13 17.253 5.370 9.763 1.00 0.00 O ATOM 194 CB TRP A 13 19.730 6.974 8.499 1.00 0.00 C ATOM 195 CG TRP A 13 20.780 5.951 8.787 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.057 6.214 9.134 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.682 4.494 8.701 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.755 5.036 9.275 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.959 3.939 9.015 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.649 3.588 8.370 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.195 2.555 8.991 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.877 2.201 8.348 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.143 1.684 8.665 1.00 0.00 C ATOM 0 H TRP A 13 20.286 8.170 10.684 1.00 0.00 H new ATOM 0 HA TRP A 13 17.855 7.751 9.136 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.179 6.651 7.616 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.231 7.907 8.239 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.470 7.201 9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.739 4.981 9.539 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.667 3.968 8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.175 2.165 9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.073 1.529 8.086 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.308 0.617 8.658 1.00 0.00 H new ATOM 214 N LEU A 14 18.731 5.633 11.444 1.00 0.00 N ATOM 215 CA LEU A 14 18.295 4.494 12.261 1.00 0.00 C ATOM 216 C LEU A 14 17.099 4.841 13.171 1.00 0.00 C ATOM 217 O LEU A 14 16.481 3.927 13.713 1.00 0.00 O ATOM 218 CB LEU A 14 19.470 3.966 13.113 1.00 0.00 C ATOM 219 CG LEU A 14 20.416 2.995 12.382 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.687 2.791 13.207 1.00 0.00 C ATOM 221 CD2 LEU A 14 19.792 1.613 12.171 1.00 0.00 C ATOM 0 H LEU A 14 19.513 6.141 11.858 1.00 0.00 H new ATOM 0 HA LEU A 14 17.962 3.718 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.051 4.816 13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.066 3.464 13.992 1.00 0.00 H new ATOM 0 HG LEU A 14 20.627 3.444 11.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.353 2.103 12.686 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.189 3.749 13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.426 2.375 14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.502 0.969 11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.544 1.174 13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.886 1.710 11.573 1.00 0.00 H new ATOM 233 N THR A 15 16.758 6.118 13.387 1.00 0.00 N ATOM 234 CA THR A 15 15.652 6.477 14.294 1.00 0.00 C ATOM 235 C THR A 15 14.260 6.333 13.671 1.00 0.00 C ATOM 236 O THR A 15 14.052 6.546 12.474 1.00 0.00 O ATOM 237 CB THR A 15 15.746 7.912 14.841 1.00 0.00 C ATOM 238 OG1 THR A 15 16.215 8.849 13.897 1.00 0.00 O ATOM 239 CG2 THR A 15 16.635 8.013 16.073 1.00 0.00 C ATOM 0 H THR A 15 17.224 6.915 12.953 1.00 0.00 H new ATOM 0 HA THR A 15 15.770 5.755 15.102 1.00 0.00 H new ATOM 0 HB THR A 15 14.716 8.155 15.101 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.534 8.987 13.206 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.665 9.047 16.416 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.234 7.380 16.864 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.644 7.685 15.822 1.00 0.00 H new ATOM 247 N LEU A 16 13.293 6.010 14.538 1.00 0.00 N ATOM 248 CA LEU A 16 11.861 5.848 14.261 1.00 0.00 C ATOM 249 C LEU A 16 11.067 6.618 15.326 1.00 0.00 C ATOM 250 O LEU A 16 11.447 6.632 16.497 1.00 0.00 O ATOM 251 CB LEU A 16 11.516 4.351 14.272 1.00 0.00 C ATOM 252 CG LEU A 16 12.122 3.554 13.099 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.996 2.062 13.389 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.421 3.859 11.772 1.00 0.00 C ATOM 0 H LEU A 16 13.506 5.843 15.521 1.00 0.00 H new ATOM 0 HA LEU A 16 11.603 6.248 13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.863 3.917 15.209 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.432 4.239 14.251 1.00 0.00 H new ATOM 0 HG LEU A 16 13.167 3.848 13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.423 1.493 12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.531 1.824 14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.944 1.801 13.503 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.881 3.275 10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.366 3.598 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.517 4.921 11.546 1.00 0.00 H new ATOM 266 N GLU A 17 9.991 7.293 14.921 1.00 0.00 N ATOM 267 CA GLU A 17 9.171 8.131 15.809 1.00 0.00 C ATOM 268 C GLU A 17 8.328 7.319 16.807 1.00 0.00 C ATOM 269 O GLU A 17 7.857 6.215 16.518 1.00 0.00 O ATOM 270 CB GLU A 17 8.239 9.051 15.001 1.00 0.00 C ATOM 271 CG GLU A 17 8.949 10.128 14.161 1.00 0.00 C ATOM 272 CD GLU A 17 9.718 9.584 12.947 1.00 0.00 C ATOM 273 OE1 GLU A 17 10.775 10.170 12.618 1.00 0.00 O ATOM 274 OE2 GLU A 17 9.265 8.575 12.355 1.00 0.00 O ATOM 0 H GLU A 17 9.657 7.276 13.957 1.00 0.00 H new ATOM 0 HA GLU A 17 9.882 8.727 16.381 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.634 8.435 14.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.554 9.544 15.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.207 10.847 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.644 10.671 14.802 1.00 0.00 H new ATOM 281 N VAL A 18 8.115 7.908 17.985 1.00 0.00 N ATOM 282 CA VAL A 18 7.341 7.356 19.105 1.00 0.00 C ATOM 283 C VAL A 18 5.924 7.937 19.105 1.00 0.00 C ATOM 284 O VAL A 18 5.736 9.130 18.846 1.00 0.00 O ATOM 285 CB VAL A 18 8.062 7.670 20.433 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.314 7.155 21.666 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.458 7.037 20.432 1.00 0.00 C ATOM 0 H VAL A 18 8.496 8.830 18.197 1.00 0.00 H new ATOM 0 HA VAL A 18 7.263 6.274 18.994 1.00 0.00 H new ATOM 0 HB VAL A 18 8.113 8.757 20.497 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.876 7.409 22.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.327 7.616 21.712 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.206 6.072 21.600 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.961 7.263 21.372 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.368 5.957 20.319 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.040 7.441 19.603 1.00 0.00 H new ATOM 297 N CYS A 19 4.923 7.102 19.399 1.00 0.00 N ATOM 298 CA CYS A 19 3.513 7.504 19.435 1.00 0.00 C ATOM 299 C CYS A 19 3.256 8.629 20.459 1.00 0.00 C ATOM 300 O CYS A 19 3.731 8.582 21.602 1.00 0.00 O ATOM 301 CB CYS A 19 2.683 6.247 19.723 1.00 0.00 C ATOM 302 SG CYS A 19 0.892 6.527 19.561 1.00 0.00 S ATOM 0 H CYS A 19 5.070 6.117 19.621 1.00 0.00 H new ATOM 0 HA CYS A 19 3.219 7.927 18.475 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.985 5.454 19.039 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.901 5.897 20.732 1.00 0.00 H new ATOM 0 HG CYS A 19 0.362 5.560 18.872 1.00 0.00 H new ATOM 307 N ARG A 20 2.517 9.671 20.054 1.00 0.00 N ATOM 308 CA ARG A 20 2.188 10.810 20.930 1.00 0.00 C ATOM 309 C ARG A 20 1.262 10.399 22.077 1.00 0.00 C ATOM 310 O ARG A 20 1.510 10.771 23.221 1.00 0.00 O ATOM 311 CB ARG A 20 1.651 12.005 20.116 1.00 0.00 C ATOM 312 CG ARG A 20 0.308 11.776 19.396 1.00 0.00 C ATOM 313 CD ARG A 20 -0.095 12.985 18.541 1.00 0.00 C ATOM 314 NE ARG A 20 -0.374 14.178 19.364 1.00 0.00 N ATOM 315 CZ ARG A 20 -0.615 15.399 18.914 1.00 0.00 C ATOM 316 NH1 ARG A 20 -0.839 16.375 19.751 1.00 0.00 N ATOM 317 NH2 ARG A 20 -0.643 15.689 17.638 1.00 0.00 N ATOM 0 H ARG A 20 2.130 9.751 19.113 1.00 0.00 H new ATOM 0 HA ARG A 20 3.111 11.147 21.401 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.542 12.857 20.787 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.399 12.279 19.372 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.381 10.892 18.763 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.470 11.577 20.133 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.703 13.211 17.834 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.979 12.735 17.954 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.382 14.049 20.376 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.829 16.198 20.755 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.024 17.315 19.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.475 14.959 16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.833 16.645 17.336 1.00 0.00 H new ATOM 331 N GLU A 21 0.246 9.582 21.803 1.00 0.00 N ATOM 332 CA GLU A 21 -0.681 9.072 22.822 1.00 0.00 C ATOM 333 C GLU A 21 0.018 8.115 23.800 1.00 0.00 C ATOM 334 O GLU A 21 -0.331 8.081 24.979 1.00 0.00 O ATOM 335 CB GLU A 21 -1.900 8.410 22.159 1.00 0.00 C ATOM 336 CG GLU A 21 -2.809 9.441 21.478 1.00 0.00 C ATOM 337 CD GLU A 21 -4.070 8.777 20.907 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.988 8.469 21.705 1.00 0.00 O ATOM 339 OE2 GLU A 21 -4.135 8.599 19.667 1.00 0.00 O ATOM 0 H GLU A 21 0.038 9.251 20.861 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.033 9.920 23.409 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.562 7.681 21.422 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.470 7.863 22.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.093 10.210 22.196 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.262 9.939 20.677 1.00 0.00 H new ATOM 346 N PHE A 22 1.048 7.381 23.364 1.00 0.00 N ATOM 347 CA PHE A 22 1.845 6.529 24.254 1.00 0.00 C ATOM 348 C PHE A 22 2.613 7.388 25.272 1.00 0.00 C ATOM 349 O PHE A 22 2.654 7.063 26.459 1.00 0.00 O ATOM 350 CB PHE A 22 2.793 5.667 23.417 1.00 0.00 C ATOM 351 CG PHE A 22 3.618 4.675 24.211 1.00 0.00 C ATOM 352 CD1 PHE A 22 3.017 3.502 24.705 1.00 0.00 C ATOM 353 CD2 PHE A 22 4.985 4.916 24.448 1.00 0.00 C ATOM 354 CE1 PHE A 22 3.777 2.577 25.444 1.00 0.00 C ATOM 355 CE2 PHE A 22 5.745 3.989 25.183 1.00 0.00 C ATOM 356 CZ PHE A 22 5.141 2.821 25.682 1.00 0.00 C ATOM 0 H PHE A 22 1.351 7.360 22.390 1.00 0.00 H new ATOM 0 HA PHE A 22 1.185 5.869 24.817 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.207 5.121 22.677 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.469 6.323 22.868 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.971 3.312 24.516 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.450 5.813 24.065 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.313 1.680 25.828 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.793 4.174 25.365 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.725 2.111 26.248 1.00 0.00 H new ATOM 366 N GLN A 23 3.159 8.529 24.828 1.00 0.00 N ATOM 367 CA GLN A 23 3.842 9.504 25.687 1.00 0.00 C ATOM 368 C GLN A 23 2.862 10.190 26.664 1.00 0.00 C ATOM 369 O GLN A 23 3.245 10.496 27.795 1.00 0.00 O ATOM 370 CB GLN A 23 4.598 10.523 24.817 1.00 0.00 C ATOM 371 CG GLN A 23 5.804 9.874 24.114 1.00 0.00 C ATOM 372 CD GLN A 23 6.343 10.744 22.982 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.198 11.601 23.160 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.861 10.550 21.774 1.00 0.00 N ATOM 0 H GLN A 23 3.138 8.804 23.846 1.00 0.00 H new ATOM 0 HA GLN A 23 4.568 8.976 26.305 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.921 10.940 24.071 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.939 11.352 25.437 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.595 9.696 24.842 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.512 8.902 23.716 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.148 9.837 21.618 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.200 11.112 20.993 1.00 0.00 H new ATOM 383 N ARG A 24 1.589 10.386 26.271 1.00 0.00 N ATOM 384 CA ARG A 24 0.524 10.920 27.155 1.00 0.00 C ATOM 385 C ARG A 24 -0.059 9.851 28.098 1.00 0.00 C ATOM 386 O ARG A 24 -0.755 10.196 29.055 1.00 0.00 O ATOM 387 CB ARG A 24 -0.630 11.552 26.345 1.00 0.00 C ATOM 388 CG ARG A 24 -0.273 12.702 25.388 1.00 0.00 C ATOM 389 CD ARG A 24 0.768 13.688 25.939 1.00 0.00 C ATOM 390 NE ARG A 24 1.015 14.807 25.011 1.00 0.00 N ATOM 391 CZ ARG A 24 1.780 14.788 23.930 1.00 0.00 C ATOM 392 NH1 ARG A 24 2.352 13.705 23.471 1.00 0.00 N ATOM 393 NH2 ARG A 24 1.991 15.890 23.265 1.00 0.00 N ATOM 0 H ARG A 24 1.264 10.178 25.327 1.00 0.00 H new ATOM 0 HA ARG A 24 1.009 11.687 27.759 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.104 10.763 25.762 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.376 11.919 27.050 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.103 12.279 24.456 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.182 13.251 25.145 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.425 14.080 26.896 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.703 13.160 26.127 1.00 0.00 H new ATOM 0 HE ARG A 24 0.548 15.688 25.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.219 12.815 23.951 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.931 13.750 22.633 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.567 16.764 23.578 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.580 15.878 22.432 1.00 0.00 H new ATOM 407 N GLY A 25 0.203 8.567 27.837 1.00 0.00 N ATOM 408 CA GLY A 25 -0.300 7.428 28.612 1.00 0.00 C ATOM 409 C GLY A 25 -1.747 7.040 28.268 1.00 0.00 C ATOM 410 O GLY A 25 -2.477 6.574 29.146 1.00 0.00 O ATOM 0 H GLY A 25 0.791 8.282 27.054 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.348 6.568 28.441 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.239 7.667 29.674 1.00 0.00 H new ATOM 414 N THR A 26 -2.181 7.261 27.020 1.00 0.00 N ATOM 415 CA THR A 26 -3.561 7.025 26.544 1.00 0.00 C ATOM 416 C THR A 26 -3.694 6.052 25.362 1.00 0.00 C ATOM 417 O THR A 26 -4.807 5.583 25.103 1.00 0.00 O ATOM 418 CB THR A 26 -4.251 8.354 26.187 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.497 9.074 25.232 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.425 9.263 27.405 1.00 0.00 C ATOM 0 H THR A 26 -1.568 7.619 26.288 1.00 0.00 H new ATOM 0 HA THR A 26 -4.055 6.541 27.387 1.00 0.00 H new ATOM 0 HB THR A 26 -5.229 8.083 25.789 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.955 9.914 25.019 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.916 10.188 27.102 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.035 8.756 28.153 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.448 9.494 27.829 1.00 0.00 H new ATOM 428 N CYS A 27 -2.606 5.702 24.659 1.00 0.00 N ATOM 429 CA CYS A 27 -2.631 4.736 23.548 1.00 0.00 C ATOM 430 C CYS A 27 -2.977 3.309 24.046 1.00 0.00 C ATOM 431 O CYS A 27 -2.619 2.930 25.169 1.00 0.00 O ATOM 432 CB CYS A 27 -1.278 4.789 22.816 1.00 0.00 C ATOM 433 SG CYS A 27 -1.371 4.051 21.150 1.00 0.00 S ATOM 0 H CYS A 27 -1.678 6.083 24.846 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.419 5.005 22.845 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.950 5.825 22.735 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.527 4.262 23.404 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.690 4.778 20.315 1.00 0.00 H new ATOM 438 N SER A 28 -3.674 2.516 23.223 1.00 0.00 N ATOM 439 CA SER A 28 -4.105 1.144 23.552 1.00 0.00 C ATOM 440 C SER A 28 -3.981 0.152 22.377 1.00 0.00 C ATOM 441 O SER A 28 -4.946 -0.498 21.963 1.00 0.00 O ATOM 442 CB SER A 28 -5.522 1.179 24.158 1.00 0.00 C ATOM 443 OG SER A 28 -6.457 1.847 23.316 1.00 0.00 O ATOM 0 H SER A 28 -3.962 2.812 22.290 1.00 0.00 H new ATOM 0 HA SER A 28 -3.414 0.753 24.299 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.863 0.159 24.337 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.488 1.678 25.126 1.00 0.00 H new ATOM 0 HG SER A 28 -7.340 1.843 23.740 1.00 0.00 H new ATOM 449 N ARG A 29 -2.748 -0.016 21.875 1.00 0.00 N ATOM 450 CA ARG A 29 -2.355 -0.958 20.806 1.00 0.00 C ATOM 451 C ARG A 29 -0.877 -1.363 20.941 1.00 0.00 C ATOM 452 O ARG A 29 -0.074 -0.551 21.410 1.00 0.00 O ATOM 453 CB ARG A 29 -2.501 -0.303 19.413 1.00 0.00 C ATOM 454 CG ARG A 29 -3.938 -0.184 18.892 1.00 0.00 C ATOM 455 CD ARG A 29 -3.921 0.228 17.413 1.00 0.00 C ATOM 456 NE ARG A 29 -5.284 0.342 16.869 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.619 0.369 15.589 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.874 0.495 15.247 1.00 0.00 N ATOM 459 NH2 ARG A 29 -4.750 0.275 14.616 1.00 0.00 N ATOM 0 H ARG A 29 -1.956 0.527 22.218 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.008 -1.825 20.904 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.062 0.694 19.451 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.919 -0.881 18.695 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.457 -1.135 19.008 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.488 0.553 19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.404 1.182 17.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.358 -0.506 16.836 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.045 0.407 17.545 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.593 0.572 15.966 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.134 0.516 14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.757 0.175 14.827 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.065 0.302 13.646 1.00 0.00 H new ATOM 473 N PRO A 30 -0.477 -2.566 20.488 1.00 0.00 N ATOM 474 CA PRO A 30 0.936 -2.935 20.420 1.00 0.00 C ATOM 475 C PRO A 30 1.591 -2.160 19.261 1.00 0.00 C ATOM 476 O PRO A 30 0.914 -1.760 18.309 1.00 0.00 O ATOM 477 CB PRO A 30 0.935 -4.445 20.163 1.00 0.00 C ATOM 478 CG PRO A 30 -0.340 -4.657 19.347 1.00 0.00 C ATOM 479 CD PRO A 30 -1.308 -3.623 19.924 1.00 0.00 C ATOM 0 HA PRO A 30 1.497 -2.697 21.324 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.822 -4.761 19.614 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.917 -5.012 21.094 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.167 -4.495 18.283 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.723 -5.671 19.457 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.967 -3.230 19.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.945 -4.068 20.688 1.00 0.00 H new ATOM 487 N ASP A 31 2.914 -1.972 19.294 1.00 0.00 N ATOM 488 CA ASP A 31 3.652 -1.272 18.223 1.00 0.00 C ATOM 489 C ASP A 31 3.402 -1.863 16.816 1.00 0.00 C ATOM 490 O ASP A 31 3.457 -1.150 15.817 1.00 0.00 O ATOM 491 CB ASP A 31 5.154 -1.236 18.549 1.00 0.00 C ATOM 492 CG ASP A 31 5.792 -2.631 18.564 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.355 -3.028 17.519 1.00 0.00 O ATOM 494 OD2 ASP A 31 5.705 -3.299 19.621 1.00 0.00 O ATOM 0 H ASP A 31 3.507 -2.297 20.058 1.00 0.00 H new ATOM 0 HA ASP A 31 3.266 -0.253 18.190 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.666 -0.615 17.814 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.299 -0.764 19.521 1.00 0.00 H new ATOM 499 N THR A 32 3.091 -3.162 16.741 1.00 0.00 N ATOM 500 CA THR A 32 2.772 -3.905 15.510 1.00 0.00 C ATOM 501 C THR A 32 1.486 -3.423 14.823 1.00 0.00 C ATOM 502 O THR A 32 1.358 -3.550 13.606 1.00 0.00 O ATOM 503 CB THR A 32 2.604 -5.404 15.833 1.00 0.00 C ATOM 504 OG1 THR A 32 3.561 -5.824 16.787 1.00 0.00 O ATOM 505 CG2 THR A 32 2.779 -6.304 14.609 1.00 0.00 C ATOM 0 H THR A 32 3.052 -3.753 17.572 1.00 0.00 H new ATOM 0 HA THR A 32 3.604 -3.730 14.828 1.00 0.00 H new ATOM 0 HB THR A 32 1.587 -5.502 16.212 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.436 -6.777 16.979 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.649 -7.346 14.902 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.035 -6.043 13.856 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.778 -6.165 14.195 1.00 0.00 H new ATOM 513 N GLU A 33 0.536 -2.854 15.577 1.00 0.00 N ATOM 514 CA GLU A 33 -0.765 -2.382 15.068 1.00 0.00 C ATOM 515 C GLU A 33 -0.948 -0.854 15.142 1.00 0.00 C ATOM 516 O GLU A 33 -1.829 -0.320 14.461 1.00 0.00 O ATOM 517 CB GLU A 33 -1.909 -3.086 15.818 1.00 0.00 C ATOM 518 CG GLU A 33 -1.891 -4.623 15.726 1.00 0.00 C ATOM 519 CD GLU A 33 -1.936 -5.146 14.283 1.00 0.00 C ATOM 520 OE1 GLU A 33 -1.054 -5.963 13.928 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.857 -4.742 13.533 1.00 0.00 O ATOM 0 H GLU A 33 0.650 -2.704 16.580 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.789 -2.639 14.009 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.867 -2.798 16.869 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.859 -2.724 15.426 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.991 -4.999 16.213 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.742 -5.023 16.277 1.00 0.00 H new ATOM 528 N CYS A 34 -0.127 -0.148 15.925 1.00 0.00 N ATOM 529 CA CYS A 34 -0.144 1.316 15.994 1.00 0.00 C ATOM 530 C CYS A 34 0.614 1.936 14.792 1.00 0.00 C ATOM 531 O CYS A 34 1.297 1.241 14.028 1.00 0.00 O ATOM 532 CB CYS A 34 0.418 1.763 17.356 1.00 0.00 C ATOM 533 SG CYS A 34 -0.102 3.472 17.745 1.00 0.00 S ATOM 0 H CYS A 34 0.571 -0.578 16.532 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.168 1.681 15.920 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.072 1.086 18.137 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.506 1.704 17.342 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.682 3.495 18.908 1.00 0.00 H new ATOM 538 N LYS A 35 0.505 3.257 14.617 1.00 0.00 N ATOM 539 CA LYS A 35 1.147 4.030 13.533 1.00 0.00 C ATOM 540 C LYS A 35 2.616 4.391 13.816 1.00 0.00 C ATOM 541 O LYS A 35 3.336 4.781 12.895 1.00 0.00 O ATOM 542 CB LYS A 35 0.349 5.324 13.287 1.00 0.00 C ATOM 543 CG LYS A 35 -1.061 5.058 12.730 1.00 0.00 C ATOM 544 CD LYS A 35 -1.869 6.349 12.513 1.00 0.00 C ATOM 545 CE LYS A 35 -1.242 7.335 11.516 1.00 0.00 C ATOM 546 NZ LYS A 35 -1.155 6.765 10.155 1.00 0.00 N ATOM 0 H LYS A 35 -0.049 3.842 15.242 1.00 0.00 H new ATOM 0 HA LYS A 35 1.145 3.388 12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.267 5.878 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.897 5.956 12.589 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.978 4.523 11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.602 4.408 13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.866 6.083 12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.991 6.851 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.835 8.249 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.245 7.611 11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.742 7.468 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.555 5.916 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.107 6.509 9.824 1.00 0.00 H new ATOM 560 N PHE A 36 3.049 4.276 15.071 1.00 0.00 N ATOM 561 CA PHE A 36 4.373 4.658 15.580 1.00 0.00 C ATOM 562 C PHE A 36 4.924 3.631 16.591 1.00 0.00 C ATOM 563 O PHE A 36 4.296 2.603 16.858 1.00 0.00 O ATOM 564 CB PHE A 36 4.271 6.067 16.183 1.00 0.00 C ATOM 565 CG PHE A 36 3.858 7.155 15.206 1.00 0.00 C ATOM 566 CD1 PHE A 36 4.746 7.560 14.191 1.00 0.00 C ATOM 567 CD2 PHE A 36 2.587 7.753 15.302 1.00 0.00 C ATOM 568 CE1 PHE A 36 4.366 8.560 13.278 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.205 8.751 14.387 1.00 0.00 C ATOM 570 CZ PHE A 36 3.095 9.155 13.375 1.00 0.00 C ATOM 0 H PHE A 36 2.454 3.892 15.805 1.00 0.00 H new ATOM 0 HA PHE A 36 5.089 4.668 14.758 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.553 6.044 17.003 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.237 6.333 16.613 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.721 7.102 14.113 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.904 7.445 16.080 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.050 8.871 12.502 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.229 9.207 14.461 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.802 9.922 12.673 1.00 0.00 H new ATOM 580 N ALA A 37 6.124 3.875 17.129 1.00 0.00 N ATOM 581 CA ALA A 37 6.806 2.948 18.032 1.00 0.00 C ATOM 582 C ALA A 37 6.449 3.189 19.517 1.00 0.00 C ATOM 583 O ALA A 37 6.184 4.319 19.937 1.00 0.00 O ATOM 584 CB ALA A 37 8.314 3.136 17.809 1.00 0.00 C ATOM 0 H ALA A 37 6.651 4.729 16.947 1.00 0.00 H new ATOM 0 HA ALA A 37 6.488 1.929 17.811 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.866 2.462 18.464 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.559 2.913 16.770 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.589 4.166 18.034 1.00 0.00 H new ATOM 590 N HIS A 38 6.448 2.105 20.306 1.00 0.00 N ATOM 591 CA HIS A 38 6.143 2.068 21.747 1.00 0.00 C ATOM 592 C HIS A 38 7.346 1.521 22.563 1.00 0.00 C ATOM 593 O HIS A 38 7.376 0.328 22.882 1.00 0.00 O ATOM 594 CB HIS A 38 4.846 1.266 21.990 1.00 0.00 C ATOM 595 CG HIS A 38 3.594 1.836 21.357 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.442 1.139 21.056 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.344 3.148 21.048 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.536 2.008 20.572 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.040 3.251 20.543 1.00 0.00 N ATOM 0 H HIS A 38 6.672 1.180 19.938 1.00 0.00 H new ATOM 0 HA HIS A 38 5.973 3.085 22.102 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.991 0.253 21.616 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.685 1.188 23.065 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.301 0.136 21.179 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.037 3.967 21.173 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.540 1.742 20.251 1.00 0.00 H new ATOM 607 N PRO A 39 8.367 2.347 22.875 1.00 0.00 N ATOM 608 CA PRO A 39 9.570 1.933 23.606 1.00 0.00 C ATOM 609 C PRO A 39 9.339 1.562 25.079 1.00 0.00 C ATOM 610 O PRO A 39 8.328 1.907 25.693 1.00 0.00 O ATOM 611 CB PRO A 39 10.549 3.101 23.508 1.00 0.00 C ATOM 612 CG PRO A 39 9.643 4.315 23.319 1.00 0.00 C ATOM 613 CD PRO A 39 8.458 3.760 22.533 1.00 0.00 C ATOM 0 HA PRO A 39 9.945 1.015 23.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.157 3.191 24.408 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.236 2.979 22.670 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.329 4.734 24.275 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.149 5.111 22.773 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.538 4.283 22.795 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.606 3.892 21.461 1.00 0.00 H new ATOM 621 N SER A 40 10.342 0.897 25.655 1.00 0.00 N ATOM 622 CA SER A 40 10.420 0.510 27.070 1.00 0.00 C ATOM 623 C SER A 40 11.418 1.414 27.808 1.00 0.00 C ATOM 624 O SER A 40 12.217 2.116 27.183 1.00 0.00 O ATOM 625 CB SER A 40 10.845 -0.960 27.192 1.00 0.00 C ATOM 626 OG SER A 40 9.860 -1.817 26.632 1.00 0.00 O ATOM 0 H SER A 40 11.161 0.599 25.126 1.00 0.00 H new ATOM 0 HA SER A 40 9.436 0.629 27.524 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.797 -1.112 26.684 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.000 -1.213 28.241 1.00 0.00 H new ATOM 0 HG SER A 40 10.150 -2.749 26.718 1.00 0.00 H new ATOM 632 N LYS A 41 11.414 1.380 29.146 1.00 0.00 N ATOM 633 CA LYS A 41 12.315 2.180 30.007 1.00 0.00 C ATOM 634 C LYS A 41 13.809 1.973 29.699 1.00 0.00 C ATOM 635 O LYS A 41 14.616 2.891 29.854 1.00 0.00 O ATOM 636 CB LYS A 41 11.975 1.886 31.480 1.00 0.00 C ATOM 637 CG LYS A 41 12.682 2.826 32.469 1.00 0.00 C ATOM 638 CD LYS A 41 12.219 2.561 33.909 1.00 0.00 C ATOM 639 CE LYS A 41 12.871 3.521 34.913 1.00 0.00 C ATOM 640 NZ LYS A 41 14.326 3.288 35.037 1.00 0.00 N ATOM 0 H LYS A 41 10.776 0.787 29.677 1.00 0.00 H new ATOM 0 HA LYS A 41 12.143 3.235 29.794 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.897 1.968 31.620 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.249 0.856 31.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.761 2.688 32.399 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.475 3.862 32.202 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.135 2.661 33.965 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.459 1.534 34.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.694 4.550 34.599 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.400 3.400 35.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.719 3.922 35.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.497 2.300 35.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.787 3.478 34.124 1.00 0.00 H new ATOM 654 N SER A 42 14.162 0.774 29.238 1.00 0.00 N ATOM 655 CA SER A 42 15.524 0.367 28.856 1.00 0.00 C ATOM 656 C SER A 42 15.979 0.871 27.473 1.00 0.00 C ATOM 657 O SER A 42 17.173 0.800 27.169 1.00 0.00 O ATOM 658 CB SER A 42 15.622 -1.166 28.858 1.00 0.00 C ATOM 659 OG SER A 42 15.163 -1.712 30.089 1.00 0.00 O ATOM 0 H SER A 42 13.482 0.024 29.113 1.00 0.00 H new ATOM 0 HA SER A 42 16.181 0.825 29.595 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.032 -1.571 28.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.656 -1.467 28.687 1.00 0.00 H new ATOM 0 HG SER A 42 15.235 -2.689 30.061 1.00 0.00 H new ATOM 665 N CYS A 43 15.073 1.367 26.619 1.00 0.00 N ATOM 666 CA CYS A 43 15.412 1.856 25.279 1.00 0.00 C ATOM 667 C CYS A 43 16.047 3.260 25.313 1.00 0.00 C ATOM 668 O CYS A 43 15.697 4.091 26.153 1.00 0.00 O ATOM 669 CB CYS A 43 14.135 1.896 24.425 1.00 0.00 C ATOM 670 SG CYS A 43 13.397 0.242 24.258 1.00 0.00 S ATOM 0 H CYS A 43 14.080 1.440 26.841 1.00 0.00 H new ATOM 0 HA CYS A 43 16.146 1.175 24.850 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.413 2.574 24.879 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.368 2.294 23.437 1.00 0.00 H new ATOM 0 HG CYS A 43 12.321 0.318 23.533 1.00 0.00 H new ATOM 676 N GLN A 44 16.939 3.559 24.361 1.00 0.00 N ATOM 677 CA GLN A 44 17.568 4.881 24.205 1.00 0.00 C ATOM 678 C GLN A 44 16.629 5.886 23.504 1.00 0.00 C ATOM 679 O GLN A 44 16.907 6.382 22.411 1.00 0.00 O ATOM 680 CB GLN A 44 18.939 4.770 23.516 1.00 0.00 C ATOM 681 CG GLN A 44 19.950 3.999 24.378 1.00 0.00 C ATOM 682 CD GLN A 44 21.386 4.421 24.075 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.904 4.253 22.982 1.00 0.00 O ATOM 684 NE2 GLN A 44 22.084 4.989 25.035 1.00 0.00 N ATOM 0 H GLN A 44 17.250 2.881 23.666 1.00 0.00 H new ATOM 0 HA GLN A 44 17.749 5.281 25.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.823 4.268 22.555 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.324 5.769 23.310 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.735 4.170 25.433 1.00 0.00 H new ATOM 0 HG3 GLN A 44 19.839 2.929 24.200 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.664 5.136 25.953 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.045 5.283 24.861 1.00 0.00 H new ATOM 693 N VAL A 45 15.482 6.168 24.131 1.00 0.00 N ATOM 694 CA VAL A 45 14.473 7.124 23.642 1.00 0.00 C ATOM 695 C VAL A 45 15.052 8.549 23.690 1.00 0.00 C ATOM 696 O VAL A 45 15.608 8.967 24.708 1.00 0.00 O ATOM 697 CB VAL A 45 13.169 7.029 24.463 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.042 7.810 23.776 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.692 5.576 24.632 1.00 0.00 C ATOM 0 H VAL A 45 15.220 5.729 25.014 1.00 0.00 H new ATOM 0 HA VAL A 45 14.224 6.875 22.610 1.00 0.00 H new ATOM 0 HB VAL A 45 13.395 7.450 25.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.131 7.732 24.369 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.328 8.858 23.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.865 7.396 22.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.772 5.561 25.216 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.507 5.138 23.651 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.459 4.999 25.148 1.00 0.00 H new ATOM 709 N GLU A 46 14.944 9.299 22.591 1.00 0.00 N ATOM 710 CA GLU A 46 15.487 10.656 22.431 1.00 0.00 C ATOM 711 C GLU A 46 14.643 11.486 21.445 1.00 0.00 C ATOM 712 O GLU A 46 14.276 10.998 20.379 1.00 0.00 O ATOM 713 CB GLU A 46 16.939 10.522 21.925 1.00 0.00 C ATOM 714 CG GLU A 46 17.615 11.863 21.615 1.00 0.00 C ATOM 715 CD GLU A 46 19.114 11.677 21.349 1.00 0.00 C ATOM 716 OE1 GLU A 46 19.463 11.114 20.283 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.913 12.095 22.219 1.00 0.00 O ATOM 0 H GLU A 46 14.459 8.969 21.756 1.00 0.00 H new ATOM 0 HA GLU A 46 15.461 11.180 23.386 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.528 9.994 22.675 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.945 9.907 21.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.142 12.320 20.746 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.473 12.547 22.451 1.00 0.00 H new ATOM 724 N ASN A 47 14.354 12.752 21.780 1.00 0.00 N ATOM 725 CA ASN A 47 13.583 13.709 20.959 1.00 0.00 C ATOM 726 C ASN A 47 12.250 13.156 20.387 1.00 0.00 C ATOM 727 O ASN A 47 11.842 13.514 19.279 1.00 0.00 O ATOM 728 CB ASN A 47 14.514 14.295 19.872 1.00 0.00 C ATOM 729 CG ASN A 47 15.757 14.983 20.418 1.00 0.00 C ATOM 730 OD1 ASN A 47 15.788 15.519 21.517 1.00 0.00 O ATOM 731 ND2 ASN A 47 16.831 14.994 19.662 1.00 0.00 N ATOM 0 H ASN A 47 14.661 13.157 22.664 1.00 0.00 H new ATOM 0 HA ASN A 47 13.244 14.508 21.619 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.822 13.492 19.202 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.950 15.011 19.274 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.683 15.447 19.993 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.813 14.549 18.744 1.00 0.00 H new ATOM 738 N GLY A 48 11.573 12.264 21.122 1.00 0.00 N ATOM 739 CA GLY A 48 10.322 11.623 20.686 1.00 0.00 C ATOM 740 C GLY A 48 10.528 10.515 19.640 1.00 0.00 C ATOM 741 O GLY A 48 9.613 10.207 18.873 1.00 0.00 O ATOM 0 H GLY A 48 11.881 11.963 22.047 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.818 11.201 21.555 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.660 12.383 20.272 1.00 0.00 H new ATOM 745 N ARG A 49 11.734 9.935 19.584 1.00 0.00 N ATOM 746 CA ARG A 49 12.186 8.883 18.656 1.00 0.00 C ATOM 747 C ARG A 49 13.041 7.835 19.381 1.00 0.00 C ATOM 748 O ARG A 49 13.443 8.042 20.524 1.00 0.00 O ATOM 749 CB ARG A 49 13.001 9.506 17.510 1.00 0.00 C ATOM 750 CG ARG A 49 12.315 10.706 16.833 1.00 0.00 C ATOM 751 CD ARG A 49 12.693 10.802 15.356 1.00 0.00 C ATOM 752 NE ARG A 49 14.151 10.830 15.121 1.00 0.00 N ATOM 753 CZ ARG A 49 15.028 11.759 15.461 1.00 0.00 C ATOM 754 NH1 ARG A 49 16.287 11.545 15.224 1.00 0.00 N ATOM 755 NH2 ARG A 49 14.713 12.898 16.016 1.00 0.00 N ATOM 0 H ARG A 49 12.474 10.206 20.231 1.00 0.00 H new ATOM 0 HA ARG A 49 11.302 8.389 18.252 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.968 9.825 17.898 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.196 8.741 16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.233 10.610 16.928 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.600 11.626 17.344 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.264 9.953 14.823 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.248 11.702 14.933 1.00 0.00 H new ATOM 0 HE ARG A 49 14.533 10.022 14.629 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.582 10.674 14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.981 12.248 15.478 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.736 13.116 16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.444 13.570 16.252 1.00 0.00 H new ATOM 769 N VAL A 50 13.353 6.720 18.719 1.00 0.00 N ATOM 770 CA VAL A 50 14.242 5.671 19.260 1.00 0.00 C ATOM 771 C VAL A 50 15.146 5.176 18.140 1.00 0.00 C ATOM 772 O VAL A 50 14.670 4.958 17.026 1.00 0.00 O ATOM 773 CB VAL A 50 13.495 4.424 19.779 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.390 3.637 20.750 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.156 4.689 20.445 1.00 0.00 C ATOM 0 H VAL A 50 12.998 6.511 17.786 1.00 0.00 H new ATOM 0 HA VAL A 50 14.776 6.131 20.092 1.00 0.00 H new ATOM 0 HB VAL A 50 13.269 3.849 18.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.853 2.759 21.110 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.297 3.321 20.234 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.656 4.272 21.595 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.719 3.745 20.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.301 5.339 21.308 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.486 5.173 19.735 1.00 0.00 H new ATOM 785 N ILE A 51 16.428 4.962 18.432 1.00 0.00 N ATOM 786 CA ILE A 51 17.384 4.389 17.480 1.00 0.00 C ATOM 787 C ILE A 51 17.042 2.893 17.336 1.00 0.00 C ATOM 788 O ILE A 51 16.953 2.181 18.339 1.00 0.00 O ATOM 789 CB ILE A 51 18.845 4.591 17.957 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.257 6.049 18.281 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.792 4.111 16.843 1.00 0.00 C ATOM 792 CD1 ILE A 51 18.773 6.620 19.618 1.00 0.00 C ATOM 0 H ILE A 51 16.837 5.182 19.340 1.00 0.00 H new ATOM 0 HA ILE A 51 17.308 4.891 16.515 1.00 0.00 H new ATOM 0 HB ILE A 51 18.914 4.027 18.887 1.00 0.00 H new ATOM 0 HG12 ILE A 51 20.345 6.108 18.260 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.888 6.692 17.483 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.826 4.246 17.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.609 3.056 16.640 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.613 4.691 15.938 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.127 7.645 19.725 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.683 6.608 19.646 1.00 0.00 H new ATOM 0 HD13 ILE A 51 19.164 6.014 20.435 1.00 0.00 H new ATOM 804 N ALA A 52 16.815 2.409 16.113 1.00 0.00 N ATOM 805 CA ALA A 52 16.490 1.008 15.849 1.00 0.00 C ATOM 806 C ALA A 52 17.719 0.084 15.971 1.00 0.00 C ATOM 807 O ALA A 52 18.859 0.503 15.744 1.00 0.00 O ATOM 808 CB ALA A 52 15.857 0.889 14.462 1.00 0.00 C ATOM 0 H ALA A 52 16.852 2.984 15.272 1.00 0.00 H new ATOM 0 HA ALA A 52 15.781 0.678 16.608 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.613 -0.154 14.262 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.947 1.488 14.425 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.559 1.249 13.710 1.00 0.00 H new ATOM 814 N CYS A 53 17.479 -1.178 16.323 1.00 0.00 N ATOM 815 CA CYS A 53 18.485 -2.221 16.491 1.00 0.00 C ATOM 816 C CYS A 53 18.938 -2.770 15.120 1.00 0.00 C ATOM 817 O CYS A 53 18.230 -3.566 14.494 1.00 0.00 O ATOM 818 CB CYS A 53 17.852 -3.295 17.396 1.00 0.00 C ATOM 819 SG CYS A 53 19.057 -4.525 17.987 1.00 0.00 S ATOM 0 H CYS A 53 16.534 -1.515 16.507 1.00 0.00 H new ATOM 0 HA CYS A 53 19.394 -1.841 16.958 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.385 -2.811 18.253 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.060 -3.805 16.847 1.00 0.00 H new ATOM 0 HG CYS A 53 18.884 -4.725 19.260 1.00 0.00 H new ATOM 824 N PHE A 54 20.110 -2.350 14.623 1.00 0.00 N ATOM 825 CA PHE A 54 20.662 -2.840 13.348 1.00 0.00 C ATOM 826 C PHE A 54 20.835 -4.373 13.392 1.00 0.00 C ATOM 827 O PHE A 54 20.550 -5.065 12.415 1.00 0.00 O ATOM 828 CB PHE A 54 21.989 -2.137 13.028 1.00 0.00 C ATOM 829 CG PHE A 54 22.577 -2.415 11.652 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.367 -3.560 11.439 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.396 -1.498 10.600 1.00 0.00 C ATOM 832 CE1 PHE A 54 23.992 -3.775 10.198 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.013 -1.718 9.352 1.00 0.00 C ATOM 834 CZ PHE A 54 23.814 -2.855 9.152 1.00 0.00 C ATOM 0 H PHE A 54 20.702 -1.663 15.090 1.00 0.00 H new ATOM 0 HA PHE A 54 19.960 -2.603 12.548 1.00 0.00 H new ATOM 0 HB2 PHE A 54 21.841 -1.062 13.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.722 -2.428 13.780 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.494 -4.279 12.235 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.782 -0.622 10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.610 -4.648 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 54 22.870 -1.011 8.548 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.291 -3.021 8.197 1.00 0.00 H new ATOM 844 N ASP A 55 21.226 -4.913 14.552 1.00 0.00 N ATOM 845 CA ASP A 55 21.345 -6.349 14.830 1.00 0.00 C ATOM 846 C ASP A 55 20.016 -7.079 14.529 1.00 0.00 C ATOM 847 O ASP A 55 20.020 -8.162 13.928 1.00 0.00 O ATOM 848 CB ASP A 55 21.822 -6.538 16.287 1.00 0.00 C ATOM 849 CG ASP A 55 23.071 -7.417 16.415 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.047 -7.170 15.667 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.072 -8.322 17.282 1.00 0.00 O ATOM 0 H ASP A 55 21.479 -4.338 15.356 1.00 0.00 H new ATOM 0 HA ASP A 55 22.088 -6.800 14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.030 -5.560 16.722 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.015 -6.981 16.870 1.00 0.00 H new ATOM 856 N SER A 56 18.881 -6.458 14.877 1.00 0.00 N ATOM 857 CA SER A 56 17.528 -6.936 14.577 1.00 0.00 C ATOM 858 C SER A 56 17.124 -6.709 13.113 1.00 0.00 C ATOM 859 O SER A 56 16.561 -7.618 12.499 1.00 0.00 O ATOM 860 CB SER A 56 16.513 -6.279 15.517 1.00 0.00 C ATOM 861 OG SER A 56 15.242 -6.894 15.379 1.00 0.00 O ATOM 0 H SER A 56 18.882 -5.578 15.393 1.00 0.00 H new ATOM 0 HA SER A 56 17.531 -8.014 14.738 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.855 -6.364 16.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.436 -5.215 15.293 1.00 0.00 H new ATOM 0 HG SER A 56 14.604 -6.465 15.986 1.00 0.00 H new ATOM 867 N LEU A 57 17.435 -5.547 12.503 1.00 0.00 N ATOM 868 CA LEU A 57 17.140 -5.279 11.079 1.00 0.00 C ATOM 869 C LEU A 57 17.800 -6.321 10.154 1.00 0.00 C ATOM 870 O LEU A 57 17.224 -6.687 9.126 1.00 0.00 O ATOM 871 CB LEU A 57 17.593 -3.861 10.643 1.00 0.00 C ATOM 872 CG LEU A 57 16.632 -2.669 10.819 1.00 0.00 C ATOM 873 CD1 LEU A 57 15.223 -2.947 10.294 1.00 0.00 C ATOM 874 CD2 LEU A 57 16.549 -2.172 12.256 1.00 0.00 C ATOM 0 H LEU A 57 17.895 -4.772 12.980 1.00 0.00 H new ATOM 0 HA LEU A 57 16.056 -5.346 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.506 -3.627 11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.858 -3.913 9.587 1.00 0.00 H new ATOM 0 HG LEU A 57 17.074 -1.881 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.597 -2.068 10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.270 -3.177 9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.796 -3.795 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.856 -1.332 12.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.195 -2.977 12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.536 -1.850 12.587 1.00 0.00 H new ATOM 886 N LYS A 58 18.980 -6.832 10.533 1.00 0.00 N ATOM 887 CA LYS A 58 19.716 -7.885 9.810 1.00 0.00 C ATOM 888 C LYS A 58 19.198 -9.307 10.110 1.00 0.00 C ATOM 889 O LYS A 58 19.643 -10.264 9.477 1.00 0.00 O ATOM 890 CB LYS A 58 21.218 -7.747 10.113 1.00 0.00 C ATOM 891 CG LYS A 58 21.862 -6.435 9.621 1.00 0.00 C ATOM 892 CD LYS A 58 21.896 -6.238 8.098 1.00 0.00 C ATOM 893 CE LYS A 58 22.799 -7.266 7.410 1.00 0.00 C ATOM 894 NZ LYS A 58 22.850 -7.037 5.951 1.00 0.00 N ATOM 0 H LYS A 58 19.464 -6.517 11.374 1.00 0.00 H new ATOM 0 HA LYS A 58 19.545 -7.743 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.365 -7.825 11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.744 -8.586 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.322 -5.598 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.884 -6.390 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.885 -6.318 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.250 -5.233 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.805 -7.207 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.429 -8.272 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.468 -7.747 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.892 -7.117 5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.225 -6.086 5.762 1.00 0.00 H new ATOM 908 N GLY A 59 18.244 -9.457 11.036 1.00 0.00 N ATOM 909 CA GLY A 59 17.569 -10.718 11.374 1.00 0.00 C ATOM 910 C GLY A 59 18.328 -11.701 12.277 1.00 0.00 C ATOM 911 O GLY A 59 18.068 -12.904 12.184 1.00 0.00 O ATOM 0 H GLY A 59 17.907 -8.672 11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.623 -10.475 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.328 -11.232 10.443 1.00 0.00 H new ATOM 915 N ARG A 60 19.261 -11.239 13.128 1.00 0.00 N ATOM 916 CA ARG A 60 20.067 -12.120 14.011 1.00 0.00 C ATOM 917 C ARG A 60 20.470 -11.525 15.375 1.00 0.00 C ATOM 918 O ARG A 60 21.502 -11.900 15.936 1.00 0.00 O ATOM 919 CB ARG A 60 21.281 -12.670 13.236 1.00 0.00 C ATOM 920 CG ARG A 60 22.394 -11.648 12.959 1.00 0.00 C ATOM 921 CD ARG A 60 22.136 -10.758 11.741 1.00 0.00 C ATOM 922 NE ARG A 60 23.364 -10.057 11.317 1.00 0.00 N ATOM 923 CZ ARG A 60 23.974 -9.071 11.955 1.00 0.00 C ATOM 924 NH1 ARG A 60 25.080 -8.562 11.488 1.00 0.00 N ATOM 925 NH2 ARG A 60 23.511 -8.570 13.066 1.00 0.00 N ATOM 0 H ARG A 60 19.482 -10.248 13.228 1.00 0.00 H new ATOM 0 HA ARG A 60 19.402 -12.938 14.290 1.00 0.00 H new ATOM 0 HB2 ARG A 60 21.705 -13.502 13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.933 -13.072 12.285 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.519 -11.015 13.838 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.334 -12.181 12.814 1.00 0.00 H new ATOM 0 HD2 ARG A 60 21.759 -11.365 10.918 1.00 0.00 H new ATOM 0 HD3 ARG A 60 21.362 -10.028 11.979 1.00 0.00 H new ATOM 0 HE ARG A 60 23.786 -10.365 10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.483 -8.924 10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 60 25.542 -7.802 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 60 22.651 -8.938 13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.009 -7.810 13.529 1.00 0.00 H new ATOM 939 N CYS A 61 19.675 -10.585 15.884 1.00 0.00 N ATOM 940 CA CYS A 61 19.940 -9.826 17.116 1.00 0.00 C ATOM 941 C CYS A 61 20.433 -10.715 18.278 1.00 0.00 C ATOM 942 O CYS A 61 19.787 -11.700 18.664 1.00 0.00 O ATOM 943 CB CYS A 61 18.692 -9.026 17.529 1.00 0.00 C ATOM 944 SG CYS A 61 19.024 -8.037 19.033 1.00 0.00 S ATOM 0 H CYS A 61 18.797 -10.318 15.438 1.00 0.00 H new ATOM 0 HA CYS A 61 20.753 -9.134 16.894 1.00 0.00 H new ATOM 0 HB2 CYS A 61 18.390 -8.368 16.714 1.00 0.00 H new ATOM 0 HB3 CYS A 61 17.861 -9.708 17.712 1.00 0.00 H new ATOM 0 HG CYS A 61 19.071 -6.776 18.721 1.00 0.00 H new ATOM 949 N SER A 62 21.627 -10.379 18.782 1.00 0.00 N ATOM 950 CA SER A 62 22.328 -11.136 19.834 1.00 0.00 C ATOM 951 C SER A 62 23.165 -10.268 20.801 1.00 0.00 C ATOM 952 O SER A 62 24.075 -10.780 21.463 1.00 0.00 O ATOM 953 CB SER A 62 23.189 -12.217 19.155 1.00 0.00 C ATOM 954 OG SER A 62 23.562 -13.246 20.062 1.00 0.00 O ATOM 0 H SER A 62 22.145 -9.559 18.466 1.00 0.00 H new ATOM 0 HA SER A 62 21.571 -11.588 20.475 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.636 -12.651 18.322 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.086 -11.758 18.738 1.00 0.00 H new ATOM 0 HG SER A 62 23.855 -12.846 20.907 1.00 0.00 H new ATOM 1013 N CYS A 66 20.990 -5.153 24.971 1.00 0.00 N ATOM 1014 CA CYS A 66 20.219 -4.581 23.867 1.00 0.00 C ATOM 1015 C CYS A 66 19.308 -3.455 24.407 1.00 0.00 C ATOM 1016 O CYS A 66 18.500 -3.646 25.327 1.00 0.00 O ATOM 1017 CB CYS A 66 19.463 -5.747 23.195 1.00 0.00 C ATOM 1018 SG CYS A 66 18.788 -5.287 21.565 1.00 0.00 S ATOM 0 HA CYS A 66 20.844 -4.108 23.110 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.137 -6.596 23.080 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.650 -6.072 23.844 1.00 0.00 H new ATOM 0 HG CYS A 66 18.909 -6.290 20.747 1.00 0.00 H new ATOM 1023 N LYS A 67 19.536 -2.247 23.871 1.00 0.00 N ATOM 1024 CA LYS A 67 18.955 -0.952 24.290 1.00 0.00 C ATOM 1025 C LYS A 67 18.332 -0.136 23.145 1.00 0.00 C ATOM 1026 O LYS A 67 18.048 1.053 23.300 1.00 0.00 O ATOM 1027 CB LYS A 67 20.059 -0.161 25.025 1.00 0.00 C ATOM 1028 CG LYS A 67 21.242 0.221 24.112 1.00 0.00 C ATOM 1029 CD LYS A 67 22.340 0.953 24.891 1.00 0.00 C ATOM 1030 CE LYS A 67 23.447 1.395 23.932 1.00 0.00 C ATOM 1031 NZ LYS A 67 24.475 2.191 24.634 1.00 0.00 N ATOM 0 H LYS A 67 20.172 -2.136 23.081 1.00 0.00 H new ATOM 0 HA LYS A 67 18.113 -1.153 24.952 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.627 0.746 25.448 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.430 -0.757 25.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.656 -0.678 23.656 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.886 0.855 23.300 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.921 1.820 25.401 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.751 0.299 25.660 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.909 0.519 23.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.017 1.985 23.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.213 2.477 23.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.036 3.039 25.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.901 1.618 25.391 1.00 0.00 H new ATOM 1045 N TYR A 68 18.117 -0.771 21.998 1.00 0.00 N ATOM 1046 CA TYR A 68 17.565 -0.171 20.782 1.00 0.00 C ATOM 1047 C TYR A 68 16.165 -0.736 20.460 1.00 0.00 C ATOM 1048 O TYR A 68 15.732 -1.735 21.045 1.00 0.00 O ATOM 1049 CB TYR A 68 18.588 -0.404 19.654 1.00 0.00 C ATOM 1050 CG TYR A 68 19.975 0.192 19.880 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.109 1.551 20.230 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.132 -0.601 19.716 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.385 2.113 20.428 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.413 -0.044 19.923 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.540 1.315 20.282 1.00 0.00 C ATOM 1056 OH TYR A 68 23.774 1.853 20.486 1.00 0.00 O ATOM 0 H TYR A 68 18.331 -1.762 21.882 1.00 0.00 H new ATOM 0 HA TYR A 68 17.410 0.900 20.909 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.695 -1.478 19.503 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.182 0.009 18.730 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.228 2.165 20.347 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.037 -1.638 19.431 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.480 3.156 20.692 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.294 -0.657 19.807 1.00 0.00 H new ATOM 0 HH TYR A 68 24.458 1.165 20.345 1.00 0.00 H new ATOM 1066 N LEU A 69 15.424 -0.099 19.545 1.00 0.00 N ATOM 1067 CA LEU A 69 14.056 -0.493 19.184 1.00 0.00 C ATOM 1068 C LEU A 69 14.039 -1.601 18.117 1.00 0.00 C ATOM 1069 O LEU A 69 14.734 -1.510 17.109 1.00 0.00 O ATOM 1070 CB LEU A 69 13.342 0.763 18.641 1.00 0.00 C ATOM 1071 CG LEU A 69 11.972 0.541 17.971 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.900 0.111 18.973 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.521 1.836 17.302 1.00 0.00 C ATOM 0 H LEU A 69 15.761 0.714 19.029 1.00 0.00 H new ATOM 0 HA LEU A 69 13.552 -0.891 20.065 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.209 1.463 19.466 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.001 1.244 17.918 1.00 0.00 H new ATOM 0 HG LEU A 69 12.093 -0.258 17.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.953 -0.033 18.453 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.199 -0.824 19.447 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.783 0.883 19.734 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.552 1.682 16.827 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.437 2.623 18.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.252 2.130 16.548 1.00 0.00 H new ATOM 1085 N HIS A 70 13.195 -2.618 18.319 1.00 0.00 N ATOM 1086 CA HIS A 70 12.947 -3.696 17.352 1.00 0.00 C ATOM 1087 C HIS A 70 11.689 -3.319 16.536 1.00 0.00 C ATOM 1088 O HIS A 70 10.578 -3.389 17.075 1.00 0.00 O ATOM 1089 CB HIS A 70 12.743 -5.026 18.102 1.00 0.00 C ATOM 1090 CG HIS A 70 14.007 -5.674 18.620 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.178 -7.023 18.849 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.219 -5.076 18.857 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.464 -7.233 19.187 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.138 -6.071 19.208 1.00 0.00 N ATOM 0 H HIS A 70 12.653 -2.718 19.177 1.00 0.00 H new ATOM 0 HA HIS A 70 13.795 -3.821 16.679 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.073 -4.851 18.943 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.241 -5.727 17.435 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.428 -4.019 18.785 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.893 -8.199 19.410 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.124 -5.940 19.435 1.00 0.00 H new ATOM 1102 N PRO A 71 11.819 -2.881 15.266 1.00 0.00 N ATOM 1103 CA PRO A 71 10.680 -2.411 14.476 1.00 0.00 C ATOM 1104 C PRO A 71 9.815 -3.526 13.846 1.00 0.00 C ATOM 1105 O PRO A 71 10.362 -4.509 13.336 1.00 0.00 O ATOM 1106 CB PRO A 71 11.316 -1.568 13.367 1.00 0.00 C ATOM 1107 CG PRO A 71 12.672 -2.228 13.133 1.00 0.00 C ATOM 1108 CD PRO A 71 13.065 -2.705 14.527 1.00 0.00 C ATOM 0 HA PRO A 71 9.987 -1.873 15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.708 -1.574 12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.426 -0.527 13.670 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.602 -3.056 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.399 -1.524 12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.622 -3.641 14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.710 -1.977 15.020 1.00 0.00 H new ATOM 1116 N PRO A 72 8.476 -3.366 13.798 1.00 0.00 N ATOM 1117 CA PRO A 72 7.572 -4.263 13.071 1.00 0.00 C ATOM 1118 C PRO A 72 7.692 -4.012 11.546 1.00 0.00 C ATOM 1119 O PRO A 72 8.209 -2.966 11.144 1.00 0.00 O ATOM 1120 CB PRO A 72 6.175 -3.909 13.593 1.00 0.00 C ATOM 1121 CG PRO A 72 6.288 -2.414 13.883 1.00 0.00 C ATOM 1122 CD PRO A 72 7.719 -2.272 14.389 1.00 0.00 C ATOM 0 HA PRO A 72 7.800 -5.318 13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.402 -4.120 12.854 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.923 -4.476 14.489 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.114 -1.815 12.989 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.562 -2.091 14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.139 -1.309 14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.752 -2.320 15.477 1.00 0.00 H new ATOM 1130 N PRO A 73 7.213 -4.921 10.670 1.00 0.00 N ATOM 1131 CA PRO A 73 7.308 -4.804 9.205 1.00 0.00 C ATOM 1132 C PRO A 73 7.014 -3.427 8.583 1.00 0.00 C ATOM 1133 O PRO A 73 7.758 -2.983 7.703 1.00 0.00 O ATOM 1134 CB PRO A 73 6.378 -5.889 8.655 1.00 0.00 C ATOM 1135 CG PRO A 73 6.465 -6.979 9.722 1.00 0.00 C ATOM 1136 CD PRO A 73 6.575 -6.185 11.023 1.00 0.00 C ATOM 0 HA PRO A 73 8.353 -4.933 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.358 -5.524 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.708 -6.249 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.584 -7.621 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.330 -7.624 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.591 -6.017 11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.165 -6.727 11.762 1.00 0.00 H new ATOM 1144 N HIS A 74 5.972 -2.712 9.035 1.00 0.00 N ATOM 1145 CA HIS A 74 5.655 -1.374 8.501 1.00 0.00 C ATOM 1146 C HIS A 74 6.736 -0.330 8.834 1.00 0.00 C ATOM 1147 O HIS A 74 7.087 0.481 7.975 1.00 0.00 O ATOM 1148 CB HIS A 74 4.239 -0.937 8.911 1.00 0.00 C ATOM 1149 CG HIS A 74 4.044 -0.614 10.372 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.620 -1.488 11.356 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.122 0.634 10.929 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.440 -0.781 12.488 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.758 0.505 12.255 1.00 0.00 N ATOM 0 H HIS A 74 5.336 -3.034 9.765 1.00 0.00 H new ATOM 0 HA HIS A 74 5.660 -1.445 7.413 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.967 -0.059 8.326 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.542 -1.730 8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.413 1.545 10.427 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.096 -1.182 13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.734 1.258 12.942 1.00 0.00 H new ATOM 1162 N LEU A 75 7.334 -0.385 10.032 1.00 0.00 N ATOM 1163 CA LEU A 75 8.453 0.493 10.403 1.00 0.00 C ATOM 1164 C LEU A 75 9.780 -0.005 9.810 1.00 0.00 C ATOM 1165 O LEU A 75 10.626 0.827 9.500 1.00 0.00 O ATOM 1166 CB LEU A 75 8.561 0.684 11.925 1.00 0.00 C ATOM 1167 CG LEU A 75 7.354 1.343 12.624 1.00 0.00 C ATOM 1168 CD1 LEU A 75 7.699 1.676 14.077 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.912 2.652 11.965 1.00 0.00 C ATOM 0 H LEU A 75 7.058 -1.035 10.768 1.00 0.00 H new ATOM 0 HA LEU A 75 8.241 1.471 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.727 -0.292 12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.445 1.287 12.131 1.00 0.00 H new ATOM 0 HG LEU A 75 6.545 0.617 12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.838 2.140 14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.961 0.761 14.608 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.544 2.364 14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.059 3.062 12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.734 3.367 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.627 2.460 10.931 1.00 0.00 H new ATOM 1181 N LYS A 76 9.965 -1.315 9.564 1.00 0.00 N ATOM 1182 CA LYS A 76 11.154 -1.839 8.851 1.00 0.00 C ATOM 1183 C LYS A 76 11.255 -1.208 7.460 1.00 0.00 C ATOM 1184 O LYS A 76 12.341 -0.833 7.023 1.00 0.00 O ATOM 1185 CB LYS A 76 11.117 -3.372 8.710 1.00 0.00 C ATOM 1186 CG LYS A 76 11.416 -4.103 10.022 1.00 0.00 C ATOM 1187 CD LYS A 76 11.435 -5.623 9.818 1.00 0.00 C ATOM 1188 CE LYS A 76 11.794 -6.334 11.124 1.00 0.00 C ATOM 1189 NZ LYS A 76 11.887 -7.795 10.931 1.00 0.00 N ATOM 0 H LYS A 76 9.304 -2.037 9.849 1.00 0.00 H new ATOM 0 HA LYS A 76 12.027 -1.575 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.134 -3.674 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.842 -3.679 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.379 -3.774 10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.663 -3.843 10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.459 -5.961 9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.158 -5.883 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.744 -5.953 11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.041 -6.112 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.132 -8.250 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.972 -8.160 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.623 -8.006 10.227 1.00 0.00 H new ATOM 1203 N THR A 77 10.116 -1.034 6.786 1.00 0.00 N ATOM 1204 CA THR A 77 10.050 -0.359 5.480 1.00 0.00 C ATOM 1205 C THR A 77 10.426 1.121 5.618 1.00 0.00 C ATOM 1206 O THR A 77 11.233 1.620 4.835 1.00 0.00 O ATOM 1207 CB THR A 77 8.661 -0.510 4.837 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.318 -1.876 4.712 1.00 0.00 O ATOM 1209 CG2 THR A 77 8.641 0.080 3.427 1.00 0.00 C ATOM 0 H THR A 77 9.210 -1.356 7.127 1.00 0.00 H new ATOM 0 HA THR A 77 10.772 -0.840 4.821 1.00 0.00 H new ATOM 0 HB THR A 77 7.956 0.015 5.482 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.126 -2.247 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.647 -0.041 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.891 1.140 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.371 -0.438 2.805 1.00 0.00 H new ATOM 1217 N GLN A 78 9.912 1.825 6.638 1.00 0.00 N ATOM 1218 CA GLN A 78 10.277 3.225 6.905 1.00 0.00 C ATOM 1219 C GLN A 78 11.787 3.362 7.183 1.00 0.00 C ATOM 1220 O GLN A 78 12.434 4.260 6.648 1.00 0.00 O ATOM 1221 CB GLN A 78 9.445 3.778 8.077 1.00 0.00 C ATOM 1222 CG GLN A 78 9.631 5.300 8.215 1.00 0.00 C ATOM 1223 CD GLN A 78 8.984 5.896 9.464 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.944 5.468 9.945 1.00 0.00 O ATOM 1225 NE2 GLN A 78 9.588 6.919 10.032 1.00 0.00 N ATOM 0 H GLN A 78 9.235 1.442 7.298 1.00 0.00 H new ATOM 0 HA GLN A 78 10.053 3.814 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 78 8.391 3.550 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.743 3.286 9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.697 5.525 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.213 5.788 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.456 7.282 9.637 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.188 7.348 10.867 1.00 0.00 H new ATOM 1234 N LEU A 79 12.354 2.452 7.983 1.00 0.00 N ATOM 1235 CA LEU A 79 13.778 2.379 8.318 1.00 0.00 C ATOM 1236 C LEU A 79 14.612 2.208 7.037 1.00 0.00 C ATOM 1237 O LEU A 79 15.574 2.942 6.821 1.00 0.00 O ATOM 1238 CB LEU A 79 13.967 1.215 9.318 1.00 0.00 C ATOM 1239 CG LEU A 79 15.294 1.105 10.091 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.523 0.870 9.217 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.541 2.324 10.970 1.00 0.00 C ATOM 0 H LEU A 79 11.809 1.716 8.433 1.00 0.00 H new ATOM 0 HA LEU A 79 14.126 3.299 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.163 1.277 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.827 0.284 8.769 1.00 0.00 H new ATOM 0 HG LEU A 79 15.163 0.216 10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.410 0.806 9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.403 -0.061 8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.635 1.697 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.487 2.206 11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.581 3.219 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.732 2.421 11.694 1.00 0.00 H new ATOM 1253 N GLU A 80 14.215 1.284 6.154 1.00 0.00 N ATOM 1254 CA GLU A 80 14.891 1.048 4.874 1.00 0.00 C ATOM 1255 C GLU A 80 14.863 2.300 3.980 1.00 0.00 C ATOM 1256 O GLU A 80 15.899 2.691 3.440 1.00 0.00 O ATOM 1257 CB GLU A 80 14.248 -0.166 4.183 1.00 0.00 C ATOM 1258 CG GLU A 80 15.052 -0.635 2.966 1.00 0.00 C ATOM 1259 CD GLU A 80 14.398 -1.861 2.317 1.00 0.00 C ATOM 1260 OE1 GLU A 80 14.808 -2.997 2.656 1.00 0.00 O ATOM 1261 OE2 GLU A 80 13.484 -1.667 1.480 1.00 0.00 O ATOM 0 H GLU A 80 13.411 0.676 6.309 1.00 0.00 H new ATOM 0 HA GLU A 80 15.943 0.831 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.163 -0.985 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.236 0.091 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.122 0.173 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.070 -0.879 3.270 1.00 0.00 H new ATOM 1268 N ILE A 81 13.707 2.964 3.858 1.00 0.00 N ATOM 1269 CA ILE A 81 13.550 4.207 3.082 1.00 0.00 C ATOM 1270 C ILE A 81 14.427 5.327 3.668 1.00 0.00 C ATOM 1271 O ILE A 81 15.151 5.987 2.922 1.00 0.00 O ATOM 1272 CB ILE A 81 12.055 4.605 3.001 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.292 3.588 2.117 1.00 0.00 C ATOM 1274 CG2 ILE A 81 11.868 6.029 2.441 1.00 0.00 C ATOM 1275 CD1 ILE A 81 9.765 3.702 2.207 1.00 0.00 C ATOM 0 H ILE A 81 12.842 2.652 4.300 1.00 0.00 H new ATOM 0 HA ILE A 81 13.894 4.038 2.062 1.00 0.00 H new ATOM 0 HB ILE A 81 11.652 4.593 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.595 3.726 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.588 2.579 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.805 6.268 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.376 6.744 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.290 6.084 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.306 2.956 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.448 3.534 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.455 4.698 1.890 1.00 0.00 H new ATOM 1287 N ASN A 82 14.408 5.523 4.992 1.00 0.00 N ATOM 1288 CA ASN A 82 15.231 6.522 5.685 1.00 0.00 C ATOM 1289 C ASN A 82 16.731 6.252 5.447 1.00 0.00 C ATOM 1290 O ASN A 82 17.487 7.169 5.115 1.00 0.00 O ATOM 1291 CB ASN A 82 14.846 6.530 7.182 1.00 0.00 C ATOM 1292 CG ASN A 82 15.409 7.706 7.970 1.00 0.00 C ATOM 1293 OD1 ASN A 82 15.967 8.650 7.433 1.00 0.00 O ATOM 1294 ND2 ASN A 82 15.269 7.698 9.276 1.00 0.00 N ATOM 0 H ASN A 82 13.812 4.985 5.621 1.00 0.00 H new ATOM 0 HA ASN A 82 15.040 7.518 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.759 6.540 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.193 5.603 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.625 8.476 9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.804 6.914 9.734 1.00 0.00 H new ATOM 1301 N GLY A 83 17.154 4.986 5.546 1.00 0.00 N ATOM 1302 CA GLY A 83 18.523 4.543 5.284 1.00 0.00 C ATOM 1303 C GLY A 83 18.965 4.807 3.845 1.00 0.00 C ATOM 1304 O GLY A 83 19.979 5.472 3.629 1.00 0.00 O ATOM 0 H GLY A 83 16.534 4.223 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.202 5.053 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.601 3.476 5.494 1.00 0.00 H new