USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0533 F(o=-1.7!,f=-0.053) USER MOD Single : A 18 TYR OH : rot -76:sc= -3.34! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.16 F(o=-1.5,f=-0.16) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 65:sc= -0.855 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -0.0534 F(o=-1.8!,f=-0.053) USER MOD Single : B 18 TYR OH : rot -77:sc= -3.31! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN :FLIP amide:sc= -0.105 F(o=-1.3,f=-0.1) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 65:sc= -0.918 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 9.397 8.385 -4.036 1.00 10.00 N ATOM 152 CA LEU A 11 9.642 7.152 -3.231 1.00 10.00 C ATOM 153 C LEU A 11 8.796 5.991 -3.760 1.00 10.00 C ATOM 154 O LEU A 11 9.193 4.845 -3.699 1.00 10.00 O ATOM 155 CB LEU A 11 9.226 7.514 -1.808 1.00 10.00 C ATOM 156 CG LEU A 11 9.569 6.360 -0.866 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.992 5.877 -1.148 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.474 6.843 0.582 1.00 10.00 C ATOM 0 HA LEU A 11 10.683 6.831 -3.281 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.737 8.422 -1.488 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.156 7.721 -1.772 1.00 10.00 H new ATOM 0 HG LEU A 11 8.869 5.540 -1.025 1.00 10.00 H new ATOM 0 HD11 LEU A 11 11.237 5.054 -0.476 1.00 10.00 H new ATOM 0 HD12 LEU A 11 11.062 5.536 -2.181 1.00 10.00 H new ATOM 0 HD13 LEU A 11 11.693 6.696 -0.988 1.00 10.00 H new ATOM 0 HD21 LEU A 11 9.718 6.022 1.256 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.176 7.662 0.739 1.00 10.00 H new ATOM 0 HD23 LEU A 11 8.460 7.189 0.784 1.00 10.00 H new ATOM 170 N THR A 12 7.636 6.278 -4.281 1.00 10.00 N ATOM 171 CA THR A 12 6.772 5.185 -4.814 1.00 10.00 C ATOM 172 C THR A 12 7.528 4.384 -5.874 1.00 10.00 C ATOM 173 O THR A 12 8.010 3.298 -5.620 1.00 10.00 O ATOM 174 CB THR A 12 5.569 5.897 -5.435 1.00 10.00 C ATOM 175 OG1 THR A 12 4.737 6.408 -4.402 1.00 10.00 O ATOM 176 CG2 THR A 12 4.774 4.909 -6.291 1.00 10.00 C ATOM 0 H THR A 12 7.249 7.218 -4.361 1.00 10.00 H new ATOM 0 HA THR A 12 6.472 4.480 -4.038 1.00 10.00 H new ATOM 0 HB THR A 12 5.917 6.718 -6.061 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.967 6.866 -4.799 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.917 5.418 -6.733 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.412 4.519 -7.084 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.425 4.086 -5.667 1.00 10.00 H new ATOM 184 N GLU A 13 7.631 4.916 -7.060 1.00 10.00 N ATOM 185 CA GLU A 13 8.351 4.198 -8.153 1.00 10.00 C ATOM 186 C GLU A 13 9.548 3.423 -7.595 1.00 10.00 C ATOM 187 O GLU A 13 9.812 2.303 -7.987 1.00 10.00 O ATOM 188 CB GLU A 13 8.825 5.298 -9.102 1.00 10.00 C ATOM 189 CG GLU A 13 8.280 5.031 -10.506 1.00 10.00 C ATOM 190 CD GLU A 13 8.540 6.248 -11.395 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.646 6.761 -11.356 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.628 6.646 -12.100 1.00 10.00 O ATOM 0 H GLU A 13 7.245 5.823 -7.322 1.00 10.00 H new ATOM 0 HA GLU A 13 7.712 3.469 -8.652 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.484 6.271 -8.747 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.914 5.330 -9.123 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.758 4.148 -10.931 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.211 4.823 -10.459 1.00 10.00 H new ATOM 199 N LEU A 14 10.276 4.010 -6.687 1.00 10.00 N ATOM 200 CA LEU A 14 11.458 3.306 -6.110 1.00 10.00 C ATOM 201 C LEU A 14 11.013 2.071 -5.321 1.00 10.00 C ATOM 202 O LEU A 14 11.337 0.953 -5.668 1.00 10.00 O ATOM 203 CB LEU A 14 12.114 4.329 -5.182 1.00 10.00 C ATOM 204 CG LEU A 14 13.319 4.957 -5.884 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.837 6.000 -6.895 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.217 5.633 -4.846 1.00 10.00 C ATOM 0 H LEU A 14 10.105 4.946 -6.319 1.00 10.00 H new ATOM 0 HA LEU A 14 12.144 2.955 -6.881 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.395 5.102 -4.909 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.430 3.847 -4.257 1.00 10.00 H new ATOM 0 HG LEU A 14 13.881 4.181 -6.403 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.697 6.447 -7.395 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.196 5.521 -7.635 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.275 6.777 -6.377 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.076 6.081 -5.345 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.653 6.409 -4.327 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.562 4.892 -4.125 1.00 10.00 H new ATOM 218 N LEU A 15 10.279 2.264 -4.259 1.00 10.00 N ATOM 219 CA LEU A 15 9.822 1.098 -3.447 1.00 10.00 C ATOM 220 C LEU A 15 8.848 0.234 -4.253 1.00 10.00 C ATOM 221 O LEU A 15 8.903 -0.979 -4.210 1.00 10.00 O ATOM 222 CB LEU A 15 9.123 1.711 -2.233 1.00 10.00 C ATOM 223 CG LEU A 15 10.120 2.563 -1.443 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.443 3.100 -0.181 1.00 10.00 C ATOM 225 CD2 LEU A 15 11.324 1.705 -1.047 1.00 10.00 C ATOM 0 H LEU A 15 9.976 3.176 -3.918 1.00 10.00 H new ATOM 0 HA LEU A 15 10.648 0.449 -3.157 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.281 2.324 -2.556 1.00 10.00 H new ATOM 0 HB3 LEU A 15 8.718 0.923 -1.597 1.00 10.00 H new ATOM 0 HG LEU A 15 10.454 3.396 -2.061 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.152 3.707 0.382 1.00 10.00 H new ATOM 0 HD12 LEU A 15 8.585 3.711 -0.460 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.109 2.266 0.436 1.00 10.00 H new ATOM 0 HD21 LEU A 15 12.034 2.312 -0.485 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.989 0.872 -0.429 1.00 10.00 H new ATOM 0 HD23 LEU A 15 11.807 1.320 -1.945 1.00 10.00 H new ATOM 237 N GLN A 16 7.961 0.841 -4.993 1.00 10.00 N ATOM 238 CA GLN A 16 7.001 0.042 -5.799 1.00 10.00 C ATOM 239 C GLN A 16 7.774 -0.851 -6.773 1.00 10.00 C ATOM 240 O GLN A 16 7.677 -2.061 -6.731 1.00 10.00 O ATOM 241 CB GLN A 16 6.156 1.077 -6.542 1.00 10.00 C ATOM 242 CG GLN A 16 5.954 0.616 -7.979 1.00 10.00 C ATOM 243 CD GLN A 16 4.747 1.329 -8.602 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.087 2.216 -7.906 1.00 10.00 O flip ATOM 245 NE2 GLN A 16 4.401 1.074 -9.738 1.00 10.00 N flip ATOM 0 H GLN A 16 7.861 1.853 -5.073 1.00 10.00 H new ATOM 0 HA GLN A 16 6.377 -0.616 -5.194 1.00 10.00 H new ATOM 0 HB2 GLN A 16 5.192 1.201 -6.048 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.650 2.048 -6.525 1.00 10.00 H new ATOM 0 HG2 GLN A 16 6.850 0.824 -8.564 1.00 10.00 H new ATOM 0 HG3 GLN A 16 5.800 -0.463 -8.004 1.00 10.00 H new ATOM 0 HE21 GLN A 16 4.914 0.382 -10.284 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.597 1.552 -10.146 1.00 10.00 H new ATOM 254 N GLY A 17 8.546 -0.263 -7.645 1.00 10.00 N ATOM 255 CA GLY A 17 9.328 -1.081 -8.611 1.00 10.00 C ATOM 256 C GLY A 17 10.011 -2.222 -7.858 1.00 10.00 C ATOM 257 O GLY A 17 10.215 -3.296 -8.386 1.00 10.00 O ATOM 0 H GLY A 17 8.668 0.746 -7.729 1.00 10.00 H new ATOM 0 HA2 GLY A 17 8.672 -1.480 -9.384 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.072 -0.462 -9.113 1.00 10.00 H new ATOM 261 N TYR A 18 10.362 -1.997 -6.620 1.00 10.00 N ATOM 262 CA TYR A 18 11.029 -3.066 -5.830 1.00 10.00 C ATOM 263 C TYR A 18 10.097 -4.269 -5.674 1.00 10.00 C ATOM 264 O TYR A 18 10.402 -5.361 -6.113 1.00 10.00 O ATOM 265 CB TYR A 18 11.325 -2.431 -4.473 1.00 10.00 C ATOM 266 CG TYR A 18 12.741 -2.760 -4.078 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.751 -2.739 -5.044 1.00 10.00 C ATOM 268 CD2 TYR A 18 13.041 -3.095 -2.753 1.00 10.00 C ATOM 269 CE1 TYR A 18 15.065 -3.054 -4.688 1.00 10.00 C ATOM 270 CE2 TYR A 18 14.358 -3.412 -2.396 1.00 10.00 C ATOM 271 CZ TYR A 18 15.370 -3.392 -3.366 1.00 10.00 C ATOM 272 OH TYR A 18 16.666 -3.708 -3.021 1.00 10.00 O ATOM 0 H TYR A 18 10.215 -1.118 -6.124 1.00 10.00 H new ATOM 0 HA TYR A 18 11.936 -3.431 -6.312 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.190 -1.351 -4.525 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.628 -2.804 -3.722 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.516 -2.479 -6.066 1.00 10.00 H new ATOM 0 HD2 TYR A 18 12.260 -3.109 -2.008 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.845 -3.036 -5.434 1.00 10.00 H new ATOM 0 HE2 TYR A 18 14.594 -3.672 -1.374 1.00 10.00 H new ATOM 0 HH TYR A 18 16.878 -4.611 -3.337 1.00 10.00 H new ATOM 282 N THR A 19 8.965 -4.082 -5.052 1.00 10.00 N ATOM 283 CA THR A 19 8.021 -5.222 -4.874 1.00 10.00 C ATOM 284 C THR A 19 7.932 -6.031 -6.173 1.00 10.00 C ATOM 285 O THR A 19 7.706 -7.224 -6.160 1.00 10.00 O ATOM 286 CB THR A 19 6.676 -4.570 -4.529 1.00 10.00 C ATOM 287 OG1 THR A 19 6.192 -5.109 -3.308 1.00 10.00 O ATOM 288 CG2 THR A 19 5.658 -4.834 -5.643 1.00 10.00 C ATOM 0 H THR A 19 8.654 -3.193 -4.661 1.00 10.00 H new ATOM 0 HA THR A 19 8.337 -5.916 -4.096 1.00 10.00 H new ATOM 0 HB THR A 19 6.818 -3.494 -4.428 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.333 -4.693 -3.084 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.708 -4.366 -5.386 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.027 -4.416 -6.580 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.514 -5.908 -5.757 1.00 10.00 H new ATOM 296 N VAL A 20 8.110 -5.387 -7.294 1.00 10.00 N ATOM 297 CA VAL A 20 8.038 -6.116 -8.593 1.00 10.00 C ATOM 298 C VAL A 20 9.309 -6.943 -8.805 1.00 10.00 C ATOM 299 O VAL A 20 9.288 -7.976 -9.444 1.00 10.00 O ATOM 300 CB VAL A 20 7.927 -5.022 -9.654 1.00 10.00 C ATOM 301 CG1 VAL A 20 7.501 -5.644 -10.985 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.883 -3.993 -9.215 1.00 10.00 C ATOM 0 H VAL A 20 8.302 -4.388 -7.367 1.00 10.00 H new ATOM 0 HA VAL A 20 7.198 -6.809 -8.633 1.00 10.00 H new ATOM 0 HB VAL A 20 8.893 -4.532 -9.775 1.00 10.00 H new ATOM 0 HG11 VAL A 20 7.422 -4.864 -11.742 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.243 -6.379 -11.297 1.00 10.00 H new ATOM 0 HG13 VAL A 20 6.534 -6.133 -10.865 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.802 -3.212 -9.971 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.917 -4.483 -9.095 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.185 -3.550 -8.266 1.00 10.00 H new ATOM 312 N GLU A 21 10.414 -6.502 -8.271 1.00 10.00 N ATOM 313 CA GLU A 21 11.681 -7.271 -8.442 1.00 10.00 C ATOM 314 C GLU A 21 11.844 -8.251 -7.285 1.00 10.00 C ATOM 315 O GLU A 21 11.918 -9.449 -7.471 1.00 10.00 O ATOM 316 CB GLU A 21 12.813 -6.239 -8.413 1.00 10.00 C ATOM 317 CG GLU A 21 12.252 -4.852 -8.710 1.00 10.00 C ATOM 318 CD GLU A 21 13.350 -3.972 -9.310 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.491 -4.404 -9.318 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.032 -2.880 -9.749 1.00 10.00 O ATOM 0 H GLU A 21 10.496 -5.645 -7.725 1.00 10.00 H new ATOM 0 HA GLU A 21 11.685 -7.840 -9.372 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.298 -6.244 -7.437 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.574 -6.499 -9.149 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.414 -4.928 -9.403 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.869 -4.400 -7.795 1.00 10.00 H new ATOM 327 N VAL A 22 11.893 -7.742 -6.088 1.00 10.00 N ATOM 328 CA VAL A 22 12.047 -8.628 -4.904 1.00 10.00 C ATOM 329 C VAL A 22 11.044 -9.780 -4.982 1.00 10.00 C ATOM 330 O VAL A 22 11.349 -10.905 -4.644 1.00 10.00 O ATOM 331 CB VAL A 22 11.745 -7.736 -3.698 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.244 -8.418 -2.428 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.459 -6.392 -3.858 1.00 10.00 C ATOM 0 H VAL A 22 11.833 -6.746 -5.878 1.00 10.00 H new ATOM 0 HA VAL A 22 13.041 -9.070 -4.843 1.00 10.00 H new ATOM 0 HB VAL A 22 10.669 -7.571 -3.633 1.00 10.00 H new ATOM 0 HG11 VAL A 22 12.030 -7.785 -1.567 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.740 -9.377 -2.308 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.319 -8.581 -2.501 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.241 -5.760 -2.997 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.534 -6.557 -3.925 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.110 -5.901 -4.766 1.00 10.00 H new ATOM 343 N LEU A 23A 9.849 -9.506 -5.424 1.00 10.00 N ATOM 344 CA LEU A 23A 8.824 -10.584 -5.524 1.00 10.00 C ATOM 345 C LEU A 23A 9.148 -11.523 -6.689 1.00 10.00 C ATOM 346 O LEU A 23A 9.177 -12.729 -6.538 1.00 10.00 O ATOM 347 CB LEU A 23A 7.507 -9.851 -5.778 1.00 10.00 C ATOM 348 CG LEU A 23A 6.340 -10.824 -5.614 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.115 -11.107 -4.128 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.075 -10.202 -6.211 1.00 10.00 C ATOM 0 H LEU A 23A 9.537 -8.582 -5.721 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.785 -11.200 -4.625 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.401 -9.020 -5.081 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.502 -9.428 -6.782 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.568 -11.757 -6.130 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.283 -11.801 -4.012 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 7.016 -11.547 -3.701 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.886 -10.175 -3.611 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.240 -10.893 -6.096 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.848 -9.270 -5.693 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.234 -9.999 -7.270 1.00 10.00 H new ATOM 362 N ARG A 24 9.386 -10.983 -7.853 1.00 10.00 N ATOM 363 CA ARG A 24 9.702 -11.847 -9.027 1.00 10.00 C ATOM 364 C ARG A 24 10.998 -12.629 -8.786 1.00 10.00 C ATOM 365 O ARG A 24 11.016 -13.844 -8.828 1.00 10.00 O ATOM 366 CB ARG A 24 9.868 -10.878 -10.198 1.00 10.00 C ATOM 367 CG ARG A 24 9.279 -11.503 -11.464 1.00 10.00 C ATOM 368 CD ARG A 24 8.148 -10.617 -11.992 1.00 10.00 C ATOM 369 NE ARG A 24 7.828 -11.166 -13.338 1.00 10.00 N ATOM 370 CZ ARG A 24 8.392 -10.661 -14.401 1.00 10.00 C ATOM 371 NH1 ARG A 24 9.436 -9.889 -14.281 1.00 10.00 N ATOM 372 NH2 ARG A 24 7.912 -10.930 -15.584 1.00 10.00 N ATOM 0 H ARG A 24 9.375 -9.981 -8.042 1.00 10.00 H new ATOM 0 HA ARG A 24 8.922 -12.585 -9.214 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.367 -9.935 -9.978 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.923 -10.650 -10.349 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.054 -11.613 -12.223 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.902 -12.502 -11.247 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.279 -10.652 -11.335 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.459 -9.574 -12.054 1.00 10.00 H new ATOM 0 HE ARG A 24 7.167 -11.938 -13.430 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.812 -9.680 -13.356 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.877 -9.494 -15.112 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.096 -11.535 -15.678 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.353 -10.535 -16.415 1.00 10.00 H new ATOM 386 N GLN A 25 12.085 -11.947 -8.545 1.00 10.00 N ATOM 387 CA GLN A 25 13.374 -12.660 -8.314 1.00 10.00 C ATOM 388 C GLN A 25 13.414 -13.261 -6.904 1.00 10.00 C ATOM 389 O GLN A 25 14.146 -14.193 -6.637 1.00 10.00 O ATOM 390 CB GLN A 25 14.461 -11.591 -8.505 1.00 10.00 C ATOM 391 CG GLN A 25 14.827 -10.937 -7.166 1.00 10.00 C ATOM 392 CD GLN A 25 16.348 -10.960 -6.991 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.884 -11.801 -6.149 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 17.055 -10.205 -7.628 1.00 10.00 N flip ATOM 0 H GLN A 25 12.136 -10.929 -8.498 1.00 10.00 H new ATOM 0 HA GLN A 25 13.514 -13.496 -8.999 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.348 -12.044 -8.948 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.110 -10.830 -9.202 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.462 -9.910 -7.138 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.347 -11.469 -6.345 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.636 -9.548 -8.286 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.067 -10.228 -7.505 1.00 10.00 H new ATOM 403 N GLN A 26 12.630 -12.738 -6.001 1.00 10.00 N ATOM 404 CA GLN A 26 12.623 -13.284 -4.612 1.00 10.00 C ATOM 405 C GLN A 26 14.050 -13.585 -4.151 1.00 10.00 C ATOM 406 O GLN A 26 14.500 -14.712 -4.213 1.00 10.00 O ATOM 407 CB GLN A 26 11.802 -14.570 -4.700 1.00 10.00 C ATOM 408 CG GLN A 26 10.536 -14.425 -3.853 1.00 10.00 C ATOM 409 CD GLN A 26 9.725 -15.719 -3.920 1.00 10.00 C ATOM 410 OE1 GLN A 26 8.635 -15.740 -4.457 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.214 -16.810 -3.395 1.00 10.00 N ATOM 0 H GLN A 26 11.994 -11.957 -6.164 1.00 10.00 H new ATOM 0 HA GLN A 26 12.204 -12.580 -3.893 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.537 -14.775 -5.737 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.393 -15.416 -4.349 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.801 -14.203 -2.819 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.937 -13.589 -4.215 1.00 10.00 H new ATOM 0 HE21 GLN A 26 11.129 -16.793 -2.944 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.681 -17.679 -3.436 1.00 10.00 H new ATOM 420 N PRO A 27 14.716 -12.558 -3.696 1.00 10.00 N ATOM 421 CA PRO A 27 16.109 -12.703 -3.210 1.00 10.00 C ATOM 422 C PRO A 27 16.138 -13.490 -1.897 1.00 10.00 C ATOM 423 O PRO A 27 15.123 -13.657 -1.251 1.00 10.00 O ATOM 424 CB PRO A 27 16.565 -11.262 -2.993 1.00 10.00 C ATOM 425 CG PRO A 27 15.304 -10.494 -2.776 1.00 10.00 C ATOM 426 CD PRO A 27 14.239 -11.177 -3.592 1.00 10.00 C ATOM 0 HA PRO A 27 16.751 -13.247 -3.903 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.230 -11.182 -2.133 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.114 -10.886 -3.856 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.035 -10.482 -1.720 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.424 -9.456 -3.086 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.266 -11.125 -3.104 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.129 -10.716 -4.574 1.00 10.00 H new ATOM 434 N PRO A 28 17.309 -13.946 -1.547 1.00 10.00 N ATOM 435 CA PRO A 28 17.483 -14.723 -0.297 1.00 10.00 C ATOM 436 C PRO A 28 17.296 -13.819 0.925 1.00 10.00 C ATOM 437 O PRO A 28 16.934 -14.268 1.994 1.00 10.00 O ATOM 438 CB PRO A 28 18.919 -15.232 -0.388 1.00 10.00 C ATOM 439 CG PRO A 28 19.607 -14.263 -1.293 1.00 10.00 C ATOM 440 CD PRO A 28 18.570 -13.783 -2.273 1.00 10.00 C ATOM 0 HA PRO A 28 16.758 -15.530 -0.188 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.392 -15.262 0.594 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.956 -16.244 -0.790 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.020 -13.429 -0.726 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.439 -14.740 -1.811 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.738 -12.744 -2.557 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.583 -14.371 -3.191 1.00 10.00 H new ATOM 448 N ASP A 29 17.538 -12.545 0.773 1.00 10.00 N ATOM 449 CA ASP A 29 17.374 -11.610 1.923 1.00 10.00 C ATOM 450 C ASP A 29 17.248 -10.170 1.417 1.00 10.00 C ATOM 451 O ASP A 29 18.038 -9.710 0.615 1.00 10.00 O ATOM 452 CB ASP A 29 18.642 -11.778 2.764 1.00 10.00 C ATOM 453 CG ASP A 29 19.840 -12.051 1.851 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.003 -11.323 0.885 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.574 -12.985 2.132 1.00 10.00 O ATOM 0 H ASP A 29 17.842 -12.111 -0.098 1.00 10.00 H new ATOM 0 HA ASP A 29 16.476 -11.824 2.502 1.00 10.00 H new ATOM 0 HB2 ASP A 29 18.820 -10.878 3.353 1.00 10.00 H new ATOM 0 HB3 ASP A 29 18.516 -12.600 3.468 1.00 10.00 H new ATOM 460 N LEU A 30 16.257 -9.455 1.877 1.00 10.00 N ATOM 461 CA LEU A 30 16.076 -8.046 1.420 1.00 10.00 C ATOM 462 C LEU A 30 17.270 -7.189 1.845 1.00 10.00 C ATOM 463 O LEU A 30 17.956 -6.620 1.021 1.00 10.00 O ATOM 464 CB LEU A 30 14.799 -7.566 2.110 1.00 10.00 C ATOM 465 CG LEU A 30 14.184 -6.421 1.304 1.00 10.00 C ATOM 466 CD1 LEU A 30 15.166 -5.249 1.250 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.888 -6.903 -0.119 1.00 10.00 C ATOM 0 H LEU A 30 15.565 -9.785 2.549 1.00 10.00 H new ATOM 0 HA LEU A 30 16.006 -7.973 0.335 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.088 -8.388 2.195 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.024 -7.232 3.123 1.00 10.00 H new ATOM 0 HG LEU A 30 13.258 -6.097 1.780 1.00 10.00 H new ATOM 0 HD11 LEU A 30 14.727 -4.433 0.675 1.00 10.00 H new ATOM 0 HD12 LEU A 30 15.379 -4.906 2.262 1.00 10.00 H new ATOM 0 HD13 LEU A 30 16.092 -5.572 0.774 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.450 -6.088 -0.695 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.814 -7.226 -0.594 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.189 -7.739 -0.082 1.00 10.00 H new ATOM 479 N VAL A 31 17.519 -7.093 3.126 1.00 10.00 N ATOM 480 CA VAL A 31 18.672 -6.271 3.615 1.00 10.00 C ATOM 481 C VAL A 31 19.760 -6.190 2.545 1.00 10.00 C ATOM 482 O VAL A 31 20.102 -5.127 2.066 1.00 10.00 O ATOM 483 CB VAL A 31 19.202 -7.019 4.837 1.00 10.00 C ATOM 484 CG1 VAL A 31 20.187 -6.125 5.591 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.038 -7.387 5.760 1.00 10.00 C ATOM 0 H VAL A 31 16.974 -7.549 3.858 1.00 10.00 H new ATOM 0 HA VAL A 31 18.372 -5.250 3.850 1.00 10.00 H new ATOM 0 HB VAL A 31 19.708 -7.929 4.514 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.567 -6.657 6.464 1.00 10.00 H new ATOM 0 HG12 VAL A 31 21.018 -5.865 4.935 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.680 -5.215 5.913 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.419 -7.921 6.631 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.530 -6.479 6.084 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.335 -8.024 5.223 1.00 10.00 H new ATOM 495 N ASP A 32 20.302 -7.312 2.170 1.00 10.00 N ATOM 496 CA ASP A 32 21.367 -7.321 1.132 1.00 10.00 C ATOM 497 C ASP A 32 20.806 -6.823 -0.203 1.00 10.00 C ATOM 498 O ASP A 32 21.339 -5.916 -0.810 1.00 10.00 O ATOM 499 CB ASP A 32 21.790 -8.784 1.033 1.00 10.00 C ATOM 500 CG ASP A 32 23.310 -8.871 0.895 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.984 -8.775 1.907 1.00 10.00 O ATOM 502 OD2 ASP A 32 23.775 -9.031 -0.222 1.00 10.00 O ATOM 0 H ASP A 32 20.052 -8.229 2.540 1.00 10.00 H new ATOM 0 HA ASP A 32 22.204 -6.669 1.380 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.464 -9.328 1.919 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.309 -9.255 0.175 1.00 10.00 H new ATOM 507 N PHE A 33 19.731 -7.404 -0.660 1.00 10.00 N ATOM 508 CA PHE A 33 19.138 -6.953 -1.952 1.00 10.00 C ATOM 509 C PHE A 33 18.870 -5.448 -1.902 1.00 10.00 C ATOM 510 O PHE A 33 19.134 -4.726 -2.843 1.00 10.00 O ATOM 511 CB PHE A 33 17.828 -7.731 -2.083 1.00 10.00 C ATOM 512 CG PHE A 33 17.123 -7.326 -3.356 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.517 -7.879 -4.580 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.078 -6.395 -3.313 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.864 -7.504 -5.761 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.426 -6.021 -4.493 1.00 10.00 C ATOM 517 CZ PHE A 33 15.818 -6.575 -5.717 1.00 10.00 C ATOM 0 H PHE A 33 19.239 -8.168 -0.198 1.00 10.00 H new ATOM 0 HA PHE A 33 19.799 -7.133 -2.800 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.029 -8.802 -2.092 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.189 -7.534 -1.223 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.325 -8.595 -4.614 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.775 -5.966 -2.369 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.167 -7.932 -6.705 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.619 -5.304 -4.459 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.314 -6.286 -6.627 1.00 10.00 H new ATOM 527 N ALA A 34 18.356 -4.969 -0.804 1.00 10.00 N ATOM 528 CA ALA A 34 18.080 -3.511 -0.684 1.00 10.00 C ATOM 529 C ALA A 34 19.353 -2.717 -0.974 1.00 10.00 C ATOM 530 O ALA A 34 19.330 -1.711 -1.654 1.00 10.00 O ATOM 531 CB ALA A 34 17.645 -3.312 0.767 1.00 10.00 C ATOM 0 H ALA A 34 18.115 -5.525 0.016 1.00 10.00 H new ATOM 0 HA ALA A 34 17.320 -3.170 -1.387 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.422 -2.259 0.939 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.754 -3.908 0.965 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.448 -3.626 1.434 1.00 10.00 H new ATOM 537 N VAL A 35 20.466 -3.164 -0.460 1.00 10.00 N ATOM 538 CA VAL A 35 21.737 -2.450 -0.693 1.00 10.00 C ATOM 539 C VAL A 35 22.187 -2.609 -2.149 1.00 10.00 C ATOM 540 O VAL A 35 22.455 -1.643 -2.832 1.00 10.00 O ATOM 541 CB VAL A 35 22.710 -3.142 0.252 1.00 10.00 C ATOM 542 CG1 VAL A 35 24.051 -2.441 0.186 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.170 -3.077 1.682 1.00 10.00 C ATOM 0 H VAL A 35 20.542 -4.002 0.116 1.00 10.00 H new ATOM 0 HA VAL A 35 21.663 -1.377 -0.516 1.00 10.00 H new ATOM 0 HB VAL A 35 22.826 -4.185 -0.042 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.752 -2.932 0.861 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.436 -2.487 -0.833 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.932 -1.399 0.482 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.867 -3.573 2.357 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.055 -2.035 1.980 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.203 -3.577 1.729 1.00 10.00 H new ATOM 553 N GLU A 36 22.279 -3.821 -2.624 1.00 10.00 N ATOM 554 CA GLU A 36 22.723 -4.042 -4.031 1.00 10.00 C ATOM 555 C GLU A 36 21.946 -3.141 -4.996 1.00 10.00 C ATOM 556 O GLU A 36 22.522 -2.376 -5.743 1.00 10.00 O ATOM 557 CB GLU A 36 22.421 -5.512 -4.313 1.00 10.00 C ATOM 558 CG GLU A 36 23.476 -6.388 -3.635 1.00 10.00 C ATOM 559 CD GLU A 36 24.319 -7.090 -4.700 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.740 -7.741 -5.553 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.532 -6.964 -4.646 1.00 10.00 O ATOM 0 H GLU A 36 22.066 -4.669 -2.099 1.00 10.00 H new ATOM 0 HA GLU A 36 23.778 -3.804 -4.166 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.428 -5.768 -3.943 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.418 -5.694 -5.388 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.114 -5.778 -2.995 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.994 -7.126 -2.994 1.00 10.00 H new ATOM 568 N TYR A 37 20.645 -3.235 -4.997 1.00 10.00 N ATOM 569 CA TYR A 37 19.837 -2.393 -5.926 1.00 10.00 C ATOM 570 C TYR A 37 20.126 -0.907 -5.701 1.00 10.00 C ATOM 571 O TYR A 37 20.789 -0.266 -6.492 1.00 10.00 O ATOM 572 CB TYR A 37 18.382 -2.709 -5.583 1.00 10.00 C ATOM 573 CG TYR A 37 17.470 -1.888 -6.464 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.127 -2.349 -7.741 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.966 -0.666 -6.001 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.279 -1.589 -8.556 1.00 10.00 C ATOM 577 CE2 TYR A 37 16.119 0.094 -6.817 1.00 10.00 C ATOM 578 CZ TYR A 37 15.774 -0.367 -8.093 1.00 10.00 C ATOM 579 OH TYR A 37 14.939 0.381 -8.896 1.00 10.00 O ATOM 0 H TYR A 37 20.106 -3.858 -4.395 1.00 10.00 H new ATOM 0 HA TYR A 37 20.070 -2.603 -6.970 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.185 -3.771 -5.727 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.188 -2.488 -4.533 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.517 -3.291 -8.097 1.00 10.00 H new ATOM 0 HD2 TYR A 37 17.230 -0.310 -5.016 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.014 -1.945 -9.541 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.731 1.037 -6.461 1.00 10.00 H new ATOM 0 HH TYR A 37 14.678 1.199 -8.424 1.00 10.00 H new ATOM 589 N PHE A 38 19.622 -0.351 -4.634 1.00 10.00 N ATOM 590 CA PHE A 38 19.854 1.097 -4.362 1.00 10.00 C ATOM 591 C PHE A 38 21.334 1.454 -4.543 1.00 10.00 C ATOM 592 O PHE A 38 21.677 2.331 -5.310 1.00 10.00 O ATOM 593 CB PHE A 38 19.420 1.297 -2.910 1.00 10.00 C ATOM 594 CG PHE A 38 17.931 1.070 -2.800 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.066 1.645 -3.738 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.417 0.283 -1.763 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.685 1.434 -3.638 1.00 10.00 C ATOM 598 CE2 PHE A 38 16.036 0.072 -1.663 1.00 10.00 C ATOM 599 CZ PHE A 38 15.170 0.647 -2.601 1.00 10.00 C ATOM 0 H PHE A 38 19.058 -0.837 -3.937 1.00 10.00 H new ATOM 0 HA PHE A 38 19.299 1.738 -5.047 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.954 0.604 -2.260 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.672 2.304 -2.578 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.463 2.251 -4.539 1.00 10.00 H new ATOM 0 HD2 PHE A 38 18.085 -0.161 -1.040 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.017 1.879 -4.361 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.639 -0.534 -0.862 1.00 10.00 H new ATOM 0 HZ PHE A 38 14.105 0.483 -2.525 1.00 10.00 H new ATOM 609 N THR A 39 22.212 0.789 -3.844 1.00 10.00 N ATOM 610 CA THR A 39 23.664 1.105 -3.983 1.00 10.00 C ATOM 611 C THR A 39 24.023 1.308 -5.457 1.00 10.00 C ATOM 612 O THR A 39 24.533 2.340 -5.844 1.00 10.00 O ATOM 613 CB THR A 39 24.394 -0.113 -3.416 1.00 10.00 C ATOM 614 OG1 THR A 39 24.120 -0.222 -2.026 1.00 10.00 O ATOM 615 CG2 THR A 39 25.900 0.042 -3.635 1.00 10.00 C ATOM 0 H THR A 39 21.989 0.043 -3.185 1.00 10.00 H new ATOM 0 HA THR A 39 23.937 2.022 -3.461 1.00 10.00 H new ATOM 0 HB THR A 39 24.050 -1.013 -3.925 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.167 -0.406 -1.894 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.418 -0.827 -3.230 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.106 0.123 -4.702 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.251 0.941 -3.129 1.00 10.00 H new ATOM 623 N ARG A 40 23.759 0.333 -6.283 1.00 10.00 N ATOM 624 CA ARG A 40 24.086 0.475 -7.729 1.00 10.00 C ATOM 625 C ARG A 40 23.349 1.683 -8.316 1.00 10.00 C ATOM 626 O ARG A 40 23.783 2.279 -9.282 1.00 10.00 O ATOM 627 CB ARG A 40 23.596 -0.820 -8.376 1.00 10.00 C ATOM 628 CG ARG A 40 24.758 -1.811 -8.479 1.00 10.00 C ATOM 629 CD ARG A 40 24.222 -3.241 -8.393 1.00 10.00 C ATOM 630 NE ARG A 40 25.437 -4.103 -8.365 1.00 10.00 N ATOM 631 CZ ARG A 40 26.233 -4.075 -7.332 1.00 10.00 C ATOM 632 NH1 ARG A 40 25.875 -3.445 -6.247 1.00 10.00 N ATOM 633 NH2 ARG A 40 27.389 -4.679 -7.382 1.00 10.00 N ATOM 0 H ARG A 40 23.331 -0.555 -6.019 1.00 10.00 H new ATOM 0 HA ARG A 40 25.150 0.636 -7.900 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.788 -1.251 -7.785 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.191 -0.614 -9.367 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.290 -1.667 -9.420 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.474 -1.632 -7.677 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.616 -3.383 -7.498 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.589 -3.478 -9.248 1.00 10.00 H new ATOM 0 HE ARG A 40 25.646 -4.715 -9.154 1.00 10.00 H new ATOM 0 HH11 ARG A 40 24.971 -2.973 -6.206 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.499 -3.424 -5.440 1.00 10.00 H new ATOM 0 HH21 ARG A 40 27.670 -5.173 -8.229 1.00 10.00 H new ATOM 0 HH22 ARG A 40 28.011 -4.657 -6.574 1.00 10.00 H new ATOM 647 N LEU A 41 22.239 2.052 -7.735 1.00 10.00 N ATOM 648 CA LEU A 41 21.478 3.223 -8.255 1.00 10.00 C ATOM 649 C LEU A 41 22.181 4.524 -7.855 1.00 10.00 C ATOM 650 O LEU A 41 22.008 5.553 -8.476 1.00 10.00 O ATOM 651 CB LEU A 41 20.103 3.127 -7.590 1.00 10.00 C ATOM 652 CG LEU A 41 19.037 3.692 -8.532 1.00 10.00 C ATOM 653 CD1 LEU A 41 19.026 2.888 -9.833 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.663 3.596 -7.864 1.00 10.00 C ATOM 0 H LEU A 41 21.827 1.593 -6.923 1.00 10.00 H new ATOM 0 HA LEU A 41 21.404 3.222 -9.342 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.876 2.089 -7.349 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.103 3.680 -6.651 1.00 10.00 H new ATOM 0 HG LEU A 41 19.264 4.735 -8.751 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.267 3.291 -10.503 1.00 10.00 H new ATOM 0 HD12 LEU A 41 20.004 2.955 -10.310 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.800 1.844 -9.614 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.904 3.998 -8.534 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.437 2.552 -7.644 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.668 4.169 -6.937 1.00 10.00 H new ATOM 666 N ARG A 42 22.975 4.481 -6.820 1.00 10.00 N ATOM 667 CA ARG A 42 23.695 5.705 -6.372 1.00 10.00 C ATOM 668 C ARG A 42 24.954 5.914 -7.222 1.00 10.00 C ATOM 669 O ARG A 42 25.549 6.973 -7.218 1.00 10.00 O ATOM 670 CB ARG A 42 24.040 5.426 -4.901 1.00 10.00 C ATOM 671 CG ARG A 42 25.457 5.907 -4.569 1.00 10.00 C ATOM 672 CD ARG A 42 25.392 7.307 -3.955 1.00 10.00 C ATOM 673 NE ARG A 42 26.193 7.211 -2.704 1.00 10.00 N ATOM 674 CZ ARG A 42 27.492 7.135 -2.766 1.00 10.00 C ATOM 675 NH1 ARG A 42 28.142 7.805 -3.679 1.00 10.00 N ATOM 676 NH2 ARG A 42 28.145 6.385 -1.919 1.00 10.00 N ATOM 0 H ARG A 42 23.156 3.646 -6.263 1.00 10.00 H new ATOM 0 HA ARG A 42 23.105 6.615 -6.479 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.321 5.928 -4.254 1.00 10.00 H new ATOM 0 HB3 ARG A 42 23.958 4.358 -4.701 1.00 10.00 H new ATOM 0 HG2 ARG A 42 25.933 5.216 -3.874 1.00 10.00 H new ATOM 0 HG3 ARG A 42 26.068 5.923 -5.472 1.00 10.00 H new ATOM 0 HD2 ARG A 42 25.804 8.055 -4.632 1.00 10.00 H new ATOM 0 HD3 ARG A 42 24.363 7.599 -3.745 1.00 10.00 H new ATOM 0 HE ARG A 42 25.725 7.205 -1.798 1.00 10.00 H new ATOM 0 HH11 ARG A 42 27.633 8.388 -4.343 1.00 10.00 H new ATOM 0 HH12 ARG A 42 29.159 7.746 -3.728 1.00 10.00 H new ATOM 0 HH21 ARG A 42 27.638 5.858 -1.208 1.00 10.00 H new ATOM 0 HH22 ARG A 42 29.162 6.326 -1.969 1.00 10.00 H new ATOM 690 N GLU A 43 25.366 4.909 -7.947 1.00 10.00 N ATOM 691 CA GLU A 43 26.587 5.050 -8.792 1.00 10.00 C ATOM 692 C GLU A 43 26.208 5.127 -10.275 1.00 10.00 C ATOM 693 O GLU A 43 26.964 5.615 -11.092 1.00 10.00 O ATOM 694 CB GLU A 43 27.403 3.786 -8.516 1.00 10.00 C ATOM 695 CG GLU A 43 28.013 3.869 -7.115 1.00 10.00 C ATOM 696 CD GLU A 43 28.982 2.703 -6.911 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.519 1.575 -6.856 1.00 10.00 O ATOM 698 OE2 GLU A 43 30.171 2.958 -6.813 1.00 10.00 O ATOM 0 H GLU A 43 24.911 3.997 -7.991 1.00 10.00 H new ATOM 0 HA GLU A 43 27.143 5.959 -8.562 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.767 2.905 -8.596 1.00 10.00 H new ATOM 0 HB3 GLU A 43 28.191 3.679 -9.262 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.536 4.817 -6.990 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.226 3.838 -6.362 1.00 10.00 H new ATOM 915 N LEU B 11 9.349 -8.353 3.935 1.00 10.00 N ATOM 916 CA LEU B 11 9.600 -7.111 3.148 1.00 10.00 C ATOM 917 C LEU B 11 8.762 -5.953 3.697 1.00 10.00 C ATOM 918 O LEU B 11 9.168 -4.808 3.655 1.00 10.00 O ATOM 919 CB LEU B 11 9.177 -7.448 1.721 1.00 10.00 C ATOM 920 CG LEU B 11 9.520 -6.282 0.795 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.946 -5.804 1.079 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.421 -6.743 -0.660 1.00 10.00 C ATOM 0 HA LEU B 11 10.643 -6.799 3.199 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.683 -8.353 1.385 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.106 -7.650 1.687 1.00 10.00 H new ATOM 0 HG LEU B 11 8.821 -5.464 0.969 1.00 10.00 H new ATOM 0 HD11 LEU B 11 11.189 -4.972 0.418 1.00 10.00 H new ATOM 0 HD12 LEU B 11 11.020 -5.477 2.116 1.00 10.00 H new ATOM 0 HD13 LEU B 11 11.645 -6.622 0.906 1.00 10.00 H new ATOM 0 HD21 LEU B 11 9.665 -5.912 -1.322 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.121 -7.561 -0.831 1.00 10.00 H new ATOM 0 HD23 LEU B 11 8.406 -7.084 -0.865 1.00 10.00 H new ATOM 934 N THR B 12 7.599 -6.239 4.212 1.00 10.00 N ATOM 935 CA THR B 12 6.742 -5.149 4.761 1.00 10.00 C ATOM 936 C THR B 12 7.507 -4.363 5.827 1.00 10.00 C ATOM 937 O THR B 12 7.997 -3.278 5.580 1.00 10.00 O ATOM 938 CB THR B 12 5.539 -5.863 5.380 1.00 10.00 C ATOM 939 OG1 THR B 12 4.697 -6.353 4.346 1.00 10.00 O ATOM 940 CG2 THR B 12 4.758 -4.882 6.256 1.00 10.00 C ATOM 0 H THR B 12 7.205 -7.177 4.277 1.00 10.00 H new ATOM 0 HA THR B 12 6.441 -4.435 3.995 1.00 10.00 H new ATOM 0 HB THR B 12 5.885 -6.696 5.991 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.927 -6.812 4.741 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.901 -5.391 6.697 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.405 -4.508 7.049 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.411 -4.047 5.647 1.00 10.00 H new ATOM 948 N GLU B 13 7.607 -4.904 7.008 1.00 10.00 N ATOM 949 CA GLU B 13 8.335 -4.200 8.105 1.00 10.00 C ATOM 950 C GLU B 13 9.537 -3.429 7.550 1.00 10.00 C ATOM 951 O GLU B 13 9.804 -2.310 7.945 1.00 10.00 O ATOM 952 CB GLU B 13 8.807 -5.314 9.040 1.00 10.00 C ATOM 953 CG GLU B 13 8.268 -5.062 10.450 1.00 10.00 C ATOM 954 CD GLU B 13 8.527 -6.290 11.322 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.631 -6.807 11.270 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.618 -6.693 12.029 1.00 10.00 O ATOM 0 H GLU B 13 7.214 -5.810 7.264 1.00 10.00 H new ATOM 0 HA GLU B 13 7.702 -3.472 8.612 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.461 -6.281 8.675 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.896 -5.351 9.057 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.751 -4.186 10.884 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.200 -4.850 10.410 1.00 10.00 H new ATOM 963 N LEU B 14 10.264 -4.016 6.640 1.00 10.00 N ATOM 964 CA LEU B 14 11.449 -3.315 6.067 1.00 10.00 C ATOM 965 C LEU B 14 11.010 -2.069 5.292 1.00 10.00 C ATOM 966 O LEU B 14 11.343 -0.956 5.650 1.00 10.00 O ATOM 967 CB LEU B 14 12.092 -4.332 5.124 1.00 10.00 C ATOM 968 CG LEU B 14 13.294 -4.979 5.813 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.808 -6.047 6.794 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.195 -5.629 4.760 1.00 10.00 C ATOM 0 H LEU B 14 10.090 -4.950 6.268 1.00 10.00 H new ATOM 0 HA LEU B 14 12.140 -2.978 6.840 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.365 -5.095 4.845 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.408 -3.841 4.204 1.00 10.00 H new ATOM 0 HG LEU B 14 13.855 -4.217 6.354 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.665 -6.508 7.285 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.165 -5.586 7.544 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.247 -6.809 6.253 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.052 -6.091 5.250 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.632 -6.390 4.220 1.00 10.00 H new ATOM 0 HD23 LEU B 14 14.543 -4.869 4.060 1.00 10.00 H new ATOM 982 N LEU B 15 10.270 -2.245 4.232 1.00 10.00 N ATOM 983 CA LEU B 15 9.818 -1.068 3.435 1.00 10.00 C ATOM 984 C LEU B 15 8.854 -0.205 4.253 1.00 10.00 C ATOM 985 O LEU B 15 8.921 1.007 4.227 1.00 10.00 O ATOM 986 CB LEU B 15 9.109 -1.660 2.216 1.00 10.00 C ATOM 987 CG LEU B 15 10.097 -2.502 1.408 1.00 10.00 C ATOM 988 CD1 LEU B 15 9.410 -3.023 0.144 1.00 10.00 C ATOM 989 CD2 LEU B 15 11.300 -1.641 1.012 1.00 10.00 C ATOM 0 H LEU B 15 9.959 -3.151 3.883 1.00 10.00 H new ATOM 0 HA LEU B 15 10.649 -0.424 3.149 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.267 -2.275 2.535 1.00 10.00 H new ATOM 0 HB3 LEU B 15 8.703 -0.861 1.595 1.00 10.00 H new ATOM 0 HG LEU B 15 10.434 -3.343 2.014 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.114 -3.623 -0.432 1.00 10.00 H new ATOM 0 HD12 LEU B 15 8.553 -3.637 0.422 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.072 -2.181 -0.460 1.00 10.00 H new ATOM 0 HD21 LEU B 15 12.004 -2.242 0.436 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.962 -0.799 0.407 1.00 10.00 H new ATOM 0 HD23 LEU B 15 11.792 -1.268 1.910 1.00 10.00 H new ATOM 1001 N GLN B 16 7.960 -0.814 4.985 1.00 10.00 N ATOM 1002 CA GLN B 16 7.009 -0.017 5.803 1.00 10.00 C ATOM 1003 C GLN B 16 7.789 0.863 6.783 1.00 10.00 C ATOM 1004 O GLN B 16 7.704 2.074 6.748 1.00 10.00 O ATOM 1005 CB GLN B 16 6.163 -1.055 6.540 1.00 10.00 C ATOM 1006 CG GLN B 16 5.971 -0.609 7.983 1.00 10.00 C ATOM 1007 CD GLN B 16 4.753 -1.308 8.595 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.108 -2.208 7.905 1.00 10.00 O flip ATOM 1009 NE2 GLN B 16 4.386 -1.030 9.720 1.00 10.00 N flip ATOM 0 H GLN B 16 7.849 -1.826 5.050 1.00 10.00 H new ATOM 0 HA GLN B 16 6.388 0.651 5.207 1.00 10.00 H new ATOM 0 HB2 GLN B 16 5.196 -1.168 6.050 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.652 -2.029 6.509 1.00 10.00 H new ATOM 0 HG2 GLN B 16 6.863 -0.841 8.565 1.00 10.00 H new ATOM 0 HG3 GLN B 16 5.837 0.472 8.022 1.00 10.00 H new ATOM 0 HE21 GLN B 16 4.889 -0.327 10.261 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.575 -1.500 10.123 1.00 10.00 H new ATOM 1018 N GLY B 17 8.557 0.263 7.650 1.00 10.00 N ATOM 1019 CA GLY B 17 9.346 1.068 8.620 1.00 10.00 C ATOM 1020 C GLY B 17 10.032 2.212 7.875 1.00 10.00 C ATOM 1021 O GLY B 17 10.244 3.280 8.414 1.00 10.00 O ATOM 0 H GLY B 17 8.671 -0.748 7.728 1.00 10.00 H new ATOM 0 HA2 GLY B 17 8.694 1.463 9.399 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.089 0.441 9.113 1.00 10.00 H new ATOM 1025 N TYR B 18 10.378 1.998 6.635 1.00 10.00 N ATOM 1026 CA TYR B 18 11.049 3.072 5.853 1.00 10.00 C ATOM 1027 C TYR B 18 10.124 4.282 5.712 1.00 10.00 C ATOM 1028 O TYR B 18 10.436 5.368 6.161 1.00 10.00 O ATOM 1029 CB TYR B 18 11.337 2.448 4.487 1.00 10.00 C ATOM 1030 CG TYR B 18 12.753 2.772 4.091 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.767 2.733 5.053 1.00 10.00 C ATOM 1032 CD2 TYR B 18 13.053 3.120 2.769 1.00 10.00 C ATOM 1033 CE1 TYR B 18 15.082 3.042 4.696 1.00 10.00 C ATOM 1034 CE2 TYR B 18 14.370 3.432 2.411 1.00 10.00 C ATOM 1035 CZ TYR B 18 15.385 3.393 3.377 1.00 10.00 C ATOM 1036 OH TYR B 18 16.683 3.703 3.032 1.00 10.00 O ATOM 0 H TYR B 18 10.224 1.125 6.130 1.00 10.00 H new ATOM 0 HA TYR B 18 11.959 3.427 6.336 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.195 1.368 4.529 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.640 2.833 3.742 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.534 2.464 6.073 1.00 10.00 H new ATOM 0 HD2 TYR B 18 12.270 3.148 2.026 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.865 3.010 5.439 1.00 10.00 H new ATOM 0 HE2 TYR B 18 14.604 3.702 1.392 1.00 10.00 H new ATOM 0 HH TYR B 18 16.897 4.607 3.344 1.00 10.00 H new ATOM 1046 N THR B 19 8.990 4.108 5.093 1.00 10.00 N ATOM 1047 CA THR B 19 8.051 5.254 4.930 1.00 10.00 C ATOM 1048 C THR B 19 7.971 6.050 6.237 1.00 10.00 C ATOM 1049 O THR B 19 7.750 7.245 6.237 1.00 10.00 O ATOM 1050 CB THR B 19 6.701 4.613 4.585 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.216 5.166 3.369 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.689 4.873 5.705 1.00 10.00 C ATOM 0 H THR B 19 8.673 3.225 4.694 1.00 10.00 H new ATOM 0 HA THR B 19 8.368 5.954 4.157 1.00 10.00 H new ATOM 0 HB THR B 19 6.835 3.537 4.474 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.354 4.757 3.145 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.735 4.413 5.448 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.059 4.444 6.636 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.552 5.947 5.829 1.00 10.00 H new ATOM 1060 N VAL B 20 8.152 5.394 7.352 1.00 10.00 N ATOM 1061 CA VAL B 20 8.090 6.108 8.659 1.00 10.00 C ATOM 1062 C VAL B 20 9.366 6.926 8.876 1.00 10.00 C ATOM 1063 O VAL B 20 9.353 7.955 9.521 1.00 10.00 O ATOM 1064 CB VAL B 20 7.976 5.003 9.709 1.00 10.00 C ATOM 1065 CG1 VAL B 20 7.548 5.611 11.047 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.929 3.980 9.259 1.00 10.00 C ATOM 0 H VAL B 20 8.340 4.393 7.414 1.00 10.00 H new ATOM 0 HA VAL B 20 7.254 6.805 8.709 1.00 10.00 H new ATOM 0 HB VAL B 20 8.942 4.512 9.825 1.00 10.00 H new ATOM 0 HG11 VAL B 20 7.467 4.823 11.795 1.00 10.00 H new ATOM 0 HG12 VAL B 20 8.290 6.342 11.369 1.00 10.00 H new ATOM 0 HG13 VAL B 20 6.582 6.102 10.931 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.846 3.191 10.007 1.00 10.00 H new ATOM 0 HG22 VAL B 20 5.964 4.474 9.144 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.230 3.546 8.306 1.00 10.00 H new ATOM 1076 N GLU B 21 10.468 6.481 8.336 1.00 10.00 N ATOM 1077 CA GLU B 21 11.742 7.240 8.510 1.00 10.00 C ATOM 1078 C GLU B 21 11.906 8.232 7.361 1.00 10.00 C ATOM 1079 O GLU B 21 12.000 9.427 7.560 1.00 10.00 O ATOM 1080 CB GLU B 21 12.866 6.201 8.466 1.00 10.00 C ATOM 1081 CG GLU B 21 12.298 4.815 8.752 1.00 10.00 C ATOM 1082 CD GLU B 21 13.389 3.920 9.342 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.528 4.358 9.388 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.069 2.812 9.737 1.00 10.00 O ATOM 0 H GLU B 21 10.543 5.627 7.783 1.00 10.00 H new ATOM 0 HA GLU B 21 11.754 7.800 9.445 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.347 6.213 7.488 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.632 6.449 9.201 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.462 4.891 9.447 1.00 10.00 H new ATOM 0 HG3 GLU B 21 11.910 4.374 7.834 1.00 10.00 H new ATOM 1091 N VAL B 22 11.939 7.734 6.157 1.00 10.00 N ATOM 1092 CA VAL B 22 12.093 8.631 4.980 1.00 10.00 C ATOM 1093 C VAL B 22 11.097 9.788 5.072 1.00 10.00 C ATOM 1094 O VAL B 22 11.405 10.914 4.740 1.00 10.00 O ATOM 1095 CB VAL B 22 11.782 7.752 3.768 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.284 8.441 2.503 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.485 6.401 3.914 1.00 10.00 C ATOM 0 H VAL B 22 11.866 6.741 5.937 1.00 10.00 H new ATOM 0 HA VAL B 22 13.089 9.069 4.919 1.00 10.00 H new ATOM 0 HB VAL B 22 10.705 7.596 3.704 1.00 10.00 H new ATOM 0 HG11 VAL B 22 12.064 7.817 1.637 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.787 9.405 2.392 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.361 8.595 2.575 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.260 5.778 3.048 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.562 6.556 3.980 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.134 5.904 4.819 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.904 9.518 5.521 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.888 10.603 5.634 1.00 10.00 C ATOM 1109 C LEU B 23B 9.224 11.528 6.807 1.00 10.00 C ATOM 1110 O LEU B 23B 9.273 12.734 6.665 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.566 9.878 5.886 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.408 10.867 5.750 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.173 11.176 4.271 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.142 10.251 6.351 1.00 10.00 C ATOM 0 H LEU B 23B 9.588 8.594 5.815 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.850 11.227 4.741 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.446 9.061 5.175 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.566 9.436 6.882 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.651 11.789 6.278 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.347 11.881 4.173 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 7.075 11.612 3.843 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.928 10.255 3.741 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.315 10.954 6.255 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.899 9.330 5.821 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.310 10.030 7.405 1.00 10.00 H new ATOM 1126 N ARG B 24 9.452 10.975 7.968 1.00 10.00 N ATOM 1127 CA ARG B 24 9.778 11.825 9.149 1.00 10.00 C ATOM 1128 C ARG B 24 11.078 12.602 8.914 1.00 10.00 C ATOM 1129 O ARG B 24 11.103 13.815 8.973 1.00 10.00 O ATOM 1130 CB ARG B 24 9.942 10.845 10.311 1.00 10.00 C ATOM 1131 CG ARG B 24 9.364 11.462 11.586 1.00 10.00 C ATOM 1132 CD ARG B 24 8.229 10.579 12.111 1.00 10.00 C ATOM 1133 NE ARG B 24 7.916 11.119 13.464 1.00 10.00 N ATOM 1134 CZ ARG B 24 8.481 10.600 14.521 1.00 10.00 C ATOM 1135 NH1 ARG B 24 9.519 9.821 14.392 1.00 10.00 N ATOM 1136 NH2 ARG B 24 8.005 10.860 15.708 1.00 10.00 N ATOM 0 H ARG B 24 9.427 9.972 8.149 1.00 10.00 H new ATOM 0 HA ARG B 24 9.003 12.566 9.344 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.433 9.908 10.085 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.996 10.608 10.455 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.143 11.558 12.342 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.993 12.466 11.381 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.358 10.624 11.457 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.534 9.534 12.164 1.00 10.00 H new ATOM 0 HE ARG B 24 7.260 11.894 13.565 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.891 9.616 13.465 1.00 10.00 H new ATOM 0 HH12 ARG B 24 9.959 9.417 15.219 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.192 11.468 15.810 1.00 10.00 H new ATOM 0 HH22 ARG B 24 8.446 10.455 16.534 1.00 10.00 H new ATOM 1150 N GLN B 25 12.159 11.915 8.660 1.00 10.00 N ATOM 1151 CA GLN B 25 13.450 12.624 8.433 1.00 10.00 C ATOM 1152 C GLN B 25 13.489 13.239 7.030 1.00 10.00 C ATOM 1153 O GLN B 25 14.225 14.171 6.772 1.00 10.00 O ATOM 1154 CB GLN B 25 14.533 11.547 8.610 1.00 10.00 C ATOM 1155 CG GLN B 25 14.894 10.908 7.263 1.00 10.00 C ATOM 1156 CD GLN B 25 16.414 10.937 7.082 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.946 11.800 6.261 1.00 10.00 O flip ATOM 1158 NE2 GLN B 25 17.124 10.165 7.695 1.00 10.00 N flip ATOM 0 H GLN B 25 12.204 10.898 8.600 1.00 10.00 H new ATOM 0 HA GLN B 25 13.596 13.453 9.126 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.423 11.990 9.057 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.179 10.779 9.298 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.531 9.881 7.226 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.409 11.447 6.450 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.708 9.490 8.337 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.136 10.192 7.568 1.00 10.00 H new ATOM 1167 N GLN B 26 12.701 12.728 6.123 1.00 10.00 N ATOM 1168 CA GLN B 26 12.692 13.287 4.739 1.00 10.00 C ATOM 1169 C GLN B 26 14.121 13.584 4.277 1.00 10.00 C ATOM 1170 O GLN B 26 14.579 14.707 4.350 1.00 10.00 O ATOM 1171 CB GLN B 26 11.881 14.580 4.841 1.00 10.00 C ATOM 1172 CG GLN B 26 10.621 14.459 3.982 1.00 10.00 C ATOM 1173 CD GLN B 26 9.807 15.751 4.082 1.00 10.00 C ATOM 1174 OE1 GLN B 26 8.719 15.756 4.623 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.293 16.854 3.583 1.00 10.00 N ATOM 0 H GLN B 26 12.063 11.948 6.280 1.00 10.00 H new ATOM 0 HA GLN B 26 12.264 12.592 4.016 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.610 14.771 5.879 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.482 15.426 4.508 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.893 14.268 2.944 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.021 13.612 4.315 1.00 10.00 H new ATOM 0 HE21 GLN B 26 11.206 16.849 3.129 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.760 17.721 3.647 1.00 10.00 H new ATOM 1184 N PRO B 27 14.776 12.557 3.809 1.00 10.00 N ATOM 1185 CA PRO B 27 16.169 12.700 3.320 1.00 10.00 C ATOM 1186 C PRO B 27 16.199 13.500 2.015 1.00 10.00 C ATOM 1187 O PRO B 27 15.184 13.678 1.372 1.00 10.00 O ATOM 1188 CB PRO B 27 16.616 11.258 3.086 1.00 10.00 C ATOM 1189 CG PRO B 27 15.348 10.500 2.863 1.00 10.00 C ATOM 1190 CD PRO B 27 14.291 11.181 3.691 1.00 10.00 C ATOM 0 HA PRO B 27 16.815 13.234 4.017 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.279 11.184 2.224 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.164 10.869 3.944 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.075 10.502 1.808 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.462 9.458 3.160 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.315 11.140 3.207 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.182 10.710 4.668 1.00 10.00 H new ATOM 1198 N PRO B 28 17.371 13.957 1.669 1.00 10.00 N ATOM 1199 CA PRO B 28 17.546 14.748 0.426 1.00 10.00 C ATOM 1200 C PRO B 28 17.355 13.860 -0.807 1.00 10.00 C ATOM 1201 O PRO B 28 17.009 14.327 -1.874 1.00 10.00 O ATOM 1202 CB PRO B 28 18.985 15.251 0.520 1.00 10.00 C ATOM 1203 CG PRO B 28 19.671 14.272 1.415 1.00 10.00 C ATOM 1204 CD PRO B 28 18.634 13.785 2.391 1.00 10.00 C ATOM 0 HA PRO B 28 16.823 15.558 0.329 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.457 15.288 -0.462 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.026 16.260 0.931 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.082 13.442 0.840 1.00 10.00 H new ATOM 0 HG3 PRO B 28 20.505 14.742 1.937 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.800 12.743 2.665 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.650 14.364 3.314 1.00 10.00 H new ATOM 1212 N ASP B 29 17.577 12.582 -0.665 1.00 10.00 N ATOM 1213 CA ASP B 29 17.408 11.661 -1.826 1.00 10.00 C ATOM 1214 C ASP B 29 17.280 10.216 -1.335 1.00 10.00 C ATOM 1215 O ASP B 29 18.069 9.748 -0.540 1.00 10.00 O ATOM 1216 CB ASP B 29 18.675 11.834 -2.668 1.00 10.00 C ATOM 1217 CG ASP B 29 19.872 12.105 -1.753 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.045 11.363 -0.800 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.594 13.051 -2.022 1.00 10.00 O ATOM 0 H ASP B 29 17.868 12.135 0.204 1.00 10.00 H new ATOM 0 HA ASP B 29 16.510 11.884 -2.401 1.00 10.00 H new ATOM 0 HB2 ASP B 29 18.854 10.937 -3.261 1.00 10.00 H new ATOM 0 HB3 ASP B 29 18.547 12.659 -3.369 1.00 10.00 H new ATOM 1224 N LEU B 30 16.288 9.507 -1.802 1.00 10.00 N ATOM 1225 CA LEU B 30 16.105 8.094 -1.359 1.00 10.00 C ATOM 1226 C LEU B 30 17.295 7.239 -1.799 1.00 10.00 C ATOM 1227 O LEU B 30 17.988 6.665 -0.982 1.00 10.00 O ATOM 1228 CB LEU B 30 14.827 7.625 -2.054 1.00 10.00 C ATOM 1229 CG LEU B 30 14.206 6.476 -1.258 1.00 10.00 C ATOM 1230 CD1 LEU B 30 15.182 5.299 -1.210 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.908 6.949 0.168 1.00 10.00 C ATOM 0 H LEU B 30 15.596 9.845 -2.471 1.00 10.00 H new ATOM 0 HA LEU B 30 16.038 8.009 -0.274 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.120 8.450 -2.134 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.051 7.299 -3.069 1.00 10.00 H new ATOM 0 HG LEU B 30 13.281 6.159 -1.739 1.00 10.00 H new ATOM 0 HD11 LEU B 30 14.738 4.481 -0.642 1.00 10.00 H new ATOM 0 HD12 LEU B 30 15.396 4.962 -2.224 1.00 10.00 H new ATOM 0 HD13 LEU B 30 16.108 5.614 -0.729 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.465 6.132 0.737 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.834 7.265 0.648 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.212 7.787 0.135 1.00 10.00 H new ATOM 1243 N VAL B 31 17.532 7.148 -3.082 1.00 10.00 N ATOM 1244 CA VAL B 31 18.678 6.328 -3.587 1.00 10.00 C ATOM 1245 C VAL B 31 19.771 6.228 -2.523 1.00 10.00 C ATOM 1246 O VAL B 31 20.115 5.156 -2.063 1.00 10.00 O ATOM 1247 CB VAL B 31 19.207 7.088 -4.803 1.00 10.00 C ATOM 1248 CG1 VAL B 31 20.177 6.195 -5.577 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.041 7.479 -5.712 1.00 10.00 C ATOM 0 H VAL B 31 16.980 7.608 -3.806 1.00 10.00 H new ATOM 0 HA VAL B 31 18.371 5.312 -3.834 1.00 10.00 H new ATOM 0 HB VAL B 31 19.724 7.988 -4.470 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.555 6.735 -6.445 1.00 10.00 H new ATOM 0 HG12 VAL B 31 21.010 5.917 -4.931 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.658 5.295 -5.908 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.421 8.021 -6.578 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.522 6.580 -6.045 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.348 8.115 -5.161 1.00 10.00 H new ATOM 1259 N ASP B 32 20.314 7.343 -2.130 1.00 10.00 N ATOM 1260 CA ASP B 32 21.382 7.334 -1.097 1.00 10.00 C ATOM 1261 C ASP B 32 20.823 6.825 0.234 1.00 10.00 C ATOM 1262 O ASP B 32 21.354 5.911 0.832 1.00 10.00 O ATOM 1263 CB ASP B 32 21.812 8.795 -0.986 1.00 10.00 C ATOM 1264 CG ASP B 32 23.336 8.875 -0.882 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.989 8.749 -1.905 1.00 10.00 O ATOM 1266 OD2 ASP B 32 23.826 9.063 0.221 1.00 10.00 O ATOM 0 H ASP B 32 20.062 8.266 -2.483 1.00 10.00 H new ATOM 0 HA ASP B 32 22.215 6.680 -1.353 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.467 9.353 -1.856 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.353 9.254 -0.110 1.00 10.00 H new ATOM 1271 N PHE B 33 19.750 7.405 0.700 1.00 10.00 N ATOM 1272 CA PHE B 33 19.159 6.943 1.988 1.00 10.00 C ATOM 1273 C PHE B 33 18.884 5.440 1.919 1.00 10.00 C ATOM 1274 O PHE B 33 19.141 4.707 2.854 1.00 10.00 O ATOM 1275 CB PHE B 33 17.853 7.726 2.133 1.00 10.00 C ATOM 1276 CG PHE B 33 17.153 7.312 3.406 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.556 7.851 4.635 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.100 6.389 3.359 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.907 7.468 5.814 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.452 6.006 4.538 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.854 6.545 5.767 1.00 10.00 C ATOM 0 H PHE B 33 19.259 8.176 0.247 1.00 10.00 H new ATOM 0 HA PHE B 33 19.823 7.111 2.836 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.059 8.796 2.151 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.208 7.540 1.274 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.368 8.562 4.672 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.789 5.973 2.412 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.218 7.884 6.761 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.641 5.294 4.501 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.353 6.249 6.677 1.00 10.00 H new ATOM 1291 N ALA B 34 18.370 4.975 0.814 1.00 10.00 N ATOM 1292 CA ALA B 34 18.088 3.519 0.678 1.00 10.00 C ATOM 1293 C ALA B 34 19.359 2.718 0.961 1.00 10.00 C ATOM 1294 O ALA B 34 19.335 1.713 1.643 1.00 10.00 O ATOM 1295 CB ALA B 34 17.650 3.335 -0.775 1.00 10.00 C ATOM 0 H ALA B 34 18.133 5.541 -0.001 1.00 10.00 H new ATOM 0 HA ALA B 34 17.327 3.173 1.377 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.423 2.284 -0.956 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.761 3.936 -0.966 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.453 3.653 -1.440 1.00 10.00 H new ATOM 1301 N VAL B 35 20.472 3.159 0.442 1.00 10.00 N ATOM 1302 CA VAL B 35 21.741 2.440 0.669 1.00 10.00 C ATOM 1303 C VAL B 35 22.193 2.588 2.125 1.00 10.00 C ATOM 1304 O VAL B 35 22.457 1.616 2.802 1.00 10.00 O ATOM 1305 CB VAL B 35 22.714 3.135 -0.275 1.00 10.00 C ATOM 1306 CG1 VAL B 35 24.052 2.424 -0.223 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.168 3.083 -1.703 1.00 10.00 C ATOM 0 H VAL B 35 20.549 3.997 -0.135 1.00 10.00 H new ATOM 0 HA VAL B 35 21.665 1.368 0.486 1.00 10.00 H new ATOM 0 HB VAL B 35 22.837 4.175 0.028 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.753 2.917 -0.897 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.442 2.457 0.794 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.924 1.386 -0.529 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.865 3.581 -2.377 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.047 2.044 -2.009 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.203 3.588 -1.742 1.00 10.00 H new ATOM 1317 N GLU B 36 22.291 3.796 2.609 1.00 10.00 N ATOM 1318 CA GLU B 36 22.737 4.004 4.018 1.00 10.00 C ATOM 1319 C GLU B 36 21.959 3.098 4.979 1.00 10.00 C ATOM 1320 O GLU B 36 22.532 2.312 5.706 1.00 10.00 O ATOM 1321 CB GLU B 36 22.440 5.475 4.312 1.00 10.00 C ATOM 1322 CG GLU B 36 23.500 6.351 3.645 1.00 10.00 C ATOM 1323 CD GLU B 36 24.354 7.027 4.719 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.781 7.658 5.592 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.565 6.903 4.650 1.00 10.00 O ATOM 0 H GLU B 36 22.082 4.649 2.090 1.00 10.00 H new ATOM 0 HA GLU B 36 23.791 3.760 4.150 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.449 5.738 3.941 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.434 5.648 5.388 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.129 5.745 2.993 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.023 7.104 3.018 1.00 10.00 H new ATOM 1332 N TYR B 37 20.660 3.209 4.995 1.00 10.00 N ATOM 1333 CA TYR B 37 19.853 2.361 5.919 1.00 10.00 C ATOM 1334 C TYR B 37 20.136 0.875 5.681 1.00 10.00 C ATOM 1335 O TYR B 37 20.794 0.223 6.467 1.00 10.00 O ATOM 1336 CB TYR B 37 18.397 2.685 5.583 1.00 10.00 C ATOM 1337 CG TYR B 37 17.487 1.851 6.454 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.141 2.298 7.736 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.986 0.633 5.978 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.293 1.526 8.541 1.00 10.00 C ATOM 1341 CE2 TYR B 37 16.140 -0.139 6.784 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.794 0.308 8.065 1.00 10.00 C ATOM 1343 OH TYR B 37 14.961 -0.451 8.860 1.00 10.00 O ATOM 0 H TYR B 37 20.122 3.848 4.410 1.00 10.00 H new ATOM 0 HA TYR B 37 20.091 2.560 6.964 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.202 3.745 5.744 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.200 2.480 4.531 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.528 3.237 8.103 1.00 10.00 H new ATOM 0 HD2 TYR B 37 17.252 0.289 4.989 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.024 1.871 9.529 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.755 -1.079 6.418 1.00 10.00 H new ATOM 0 HH TYR B 37 14.703 -1.266 8.380 1.00 10.00 H new ATOM 1353 N PHE B 38 19.630 0.333 4.608 1.00 10.00 N ATOM 1354 CA PHE B 38 19.856 -1.113 4.324 1.00 10.00 C ATOM 1355 C PHE B 38 21.334 -1.478 4.495 1.00 10.00 C ATOM 1356 O PHE B 38 21.676 -2.367 5.250 1.00 10.00 O ATOM 1357 CB PHE B 38 19.417 -1.297 2.873 1.00 10.00 C ATOM 1358 CG PHE B 38 17.927 -1.066 2.771 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.062 -1.653 3.703 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.410 -0.266 1.743 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.681 -1.439 3.609 1.00 10.00 C ATOM 1362 CE2 PHE B 38 16.029 -0.052 1.649 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.164 -0.639 2.582 1.00 10.00 C ATOM 0 H PHE B 38 19.069 0.829 3.915 1.00 10.00 H new ATOM 0 HA PHE B 38 19.302 -1.757 5.007 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.950 -0.599 2.228 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.666 -2.301 2.530 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.460 -2.271 4.494 1.00 10.00 H new ATOM 0 HD2 PHE B 38 18.077 0.186 1.023 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.015 -1.891 4.329 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.631 0.565 0.857 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.099 -0.475 2.509 1.00 10.00 H new ATOM 1373 N THR B 39 22.212 -0.809 3.798 1.00 10.00 N ATOM 1374 CA THR B 39 23.663 -1.134 3.927 1.00 10.00 C ATOM 1375 C THR B 39 24.027 -1.357 5.397 1.00 10.00 C ATOM 1376 O THR B 39 24.534 -2.395 5.771 1.00 10.00 O ATOM 1377 CB THR B 39 24.399 0.086 3.372 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.120 0.212 1.983 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.905 -0.083 3.582 1.00 10.00 C ATOM 0 H THR B 39 21.990 -0.055 3.148 1.00 10.00 H new ATOM 0 HA THR B 39 23.928 -2.046 3.392 1.00 10.00 H new ATOM 0 HB THR B 39 24.063 0.983 3.893 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.166 0.396 1.856 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.428 0.788 3.186 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.115 -0.179 4.647 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.247 -0.979 3.063 1.00 10.00 H new ATOM 1387 N ARG B 40 23.769 -0.390 6.236 1.00 10.00 N ATOM 1388 CA ARG B 40 24.099 -0.552 7.680 1.00 10.00 C ATOM 1389 C ARG B 40 23.357 -1.761 8.255 1.00 10.00 C ATOM 1390 O ARG B 40 23.784 -2.365 9.218 1.00 10.00 O ATOM 1391 CB ARG B 40 23.623 0.741 8.344 1.00 10.00 C ATOM 1392 CG ARG B 40 24.792 1.723 8.442 1.00 10.00 C ATOM 1393 CD ARG B 40 24.266 3.158 8.361 1.00 10.00 C ATOM 1394 NE ARG B 40 25.485 4.012 8.330 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.283 3.977 7.298 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.924 3.345 6.214 1.00 10.00 N ATOM 1397 NH2 ARG B 40 27.442 4.576 7.349 1.00 10.00 N ATOM 0 H ARG B 40 23.345 0.503 5.984 1.00 10.00 H new ATOM 0 HA ARG B 40 25.162 -0.724 7.846 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.811 1.182 7.766 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.228 0.528 9.337 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.328 1.574 9.380 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.503 1.540 7.636 1.00 10.00 H new ATOM 0 HD2 ARG B 40 23.657 3.306 7.469 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.638 3.397 9.219 1.00 10.00 H new ATOM 0 HE ARG B 40 25.697 4.626 9.117 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.018 2.877 6.172 1.00 10.00 H new ATOM 0 HH12 ARG B 40 26.549 3.319 5.408 1.00 10.00 H new ATOM 0 HH21 ARG B 40 27.723 5.071 8.195 1.00 10.00 H new ATOM 0 HH22 ARG B 40 28.066 4.549 6.543 1.00 10.00 H new ATOM 1411 N LEU B 41 22.248 -2.121 7.668 1.00 10.00 N ATOM 1412 CA LEU B 41 21.480 -3.294 8.177 1.00 10.00 C ATOM 1413 C LEU B 41 22.173 -4.594 7.759 1.00 10.00 C ATOM 1414 O LEU B 41 21.995 -5.630 8.368 1.00 10.00 O ATOM 1415 CB LEU B 41 20.105 -3.178 7.519 1.00 10.00 C ATOM 1416 CG LEU B 41 19.039 -3.751 8.454 1.00 10.00 C ATOM 1417 CD1 LEU B 41 19.037 -2.967 9.767 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.664 -3.637 7.792 1.00 10.00 C ATOM 0 H LEU B 41 21.840 -1.654 6.858 1.00 10.00 H new ATOM 0 HA LEU B 41 21.409 -3.308 9.265 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.884 -2.134 7.296 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.098 -3.715 6.571 1.00 10.00 H new ATOM 0 HG LEU B 41 19.260 -4.799 8.656 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.277 -3.375 10.433 1.00 10.00 H new ATOM 0 HD12 LEU B 41 20.016 -3.047 10.240 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.817 -1.919 9.565 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.904 -4.045 8.458 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.443 -2.589 7.589 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.663 -4.195 6.856 1.00 10.00 H new ATOM 1430 N ARG B 42 22.963 -4.544 6.722 1.00 10.00 N ATOM 1431 CA ARG B 42 23.672 -5.769 6.256 1.00 10.00 C ATOM 1432 C ARG B 42 24.932 -5.997 7.098 1.00 10.00 C ATOM 1433 O ARG B 42 25.522 -7.060 7.076 1.00 10.00 O ATOM 1434 CB ARG B 42 24.015 -5.474 4.786 1.00 10.00 C ATOM 1435 CG ARG B 42 25.430 -5.956 4.444 1.00 10.00 C ATOM 1436 CD ARG B 42 25.360 -7.357 3.833 1.00 10.00 C ATOM 1437 NE ARG B 42 26.141 -7.262 2.569 1.00 10.00 N ATOM 1438 CZ ARG B 42 27.443 -7.190 2.613 1.00 10.00 C ATOM 1439 NH1 ARG B 42 28.104 -7.877 3.506 1.00 10.00 N ATOM 1440 NH2 ARG B 42 28.086 -6.433 1.767 1.00 10.00 N ATOM 0 H ARG B 42 23.149 -3.703 6.175 1.00 10.00 H new ATOM 0 HA ARG B 42 23.075 -6.676 6.354 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.292 -5.965 4.135 1.00 10.00 H new ATOM 0 HB3 ARG B 42 23.937 -4.403 4.598 1.00 10.00 H new ATOM 0 HG2 ARG B 42 25.901 -5.266 3.744 1.00 10.00 H new ATOM 0 HG3 ARG B 42 26.048 -5.970 5.342 1.00 10.00 H new ATOM 0 HD2 ARG B 42 25.785 -8.103 4.505 1.00 10.00 H new ATOM 0 HD3 ARG B 42 24.329 -7.653 3.639 1.00 10.00 H new ATOM 0 HE ARG B 42 25.659 -7.253 1.670 1.00 10.00 H new ATOM 0 HH11 ARG B 42 27.602 -8.469 4.168 1.00 10.00 H new ATOM 0 HH12 ARG B 42 29.122 -7.821 3.541 1.00 10.00 H new ATOM 0 HH21 ARG B 42 27.571 -5.896 1.069 1.00 10.00 H new ATOM 0 HH22 ARG B 42 29.104 -6.378 1.803 1.00 10.00 H new