USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 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 : amide:sc= -0.158 K(o=-0.16,f=-1.4) USER MOD Single : A 18 TYR OH : rot -112:sc= -7.84! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.667 K(o=-0.67,f=-5.7!) USER MOD Single : A 26 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 96:sc= -1.12 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.0902 K(o=-0.09,f=-1.1) USER MOD Single : B 18 TYR OH : rot -114:sc= -7.68! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.681 K(o=-0.68,f=-5.8!) USER MOD Single : B 26 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.5!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 94:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 7.448 8.187 -4.670 1.00 10.00 N ATOM 152 CA LEU A 11 8.276 7.030 -4.226 1.00 10.00 C ATOM 153 C LEU A 11 7.665 5.720 -4.731 1.00 10.00 C ATOM 154 O LEU A 11 8.346 4.725 -4.880 1.00 10.00 O ATOM 155 CB LEU A 11 8.247 7.081 -2.700 1.00 10.00 C ATOM 156 CG LEU A 11 9.036 5.897 -2.138 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.534 6.186 -2.247 1.00 10.00 C ATOM 158 CD2 LEU A 11 8.662 5.688 -0.669 1.00 10.00 C ATOM 0 HA LEU A 11 9.293 7.078 -4.614 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.677 8.019 -2.348 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.218 7.049 -2.343 1.00 10.00 H new ATOM 0 HG LEU A 11 8.797 4.998 -2.706 1.00 10.00 H new ATOM 0 HD11 LEU A 11 11.097 5.343 -1.847 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.800 6.336 -3.293 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.773 7.085 -1.679 1.00 10.00 H new ATOM 0 HD21 LEU A 11 9.223 4.845 -0.267 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.902 6.587 -0.101 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.594 5.483 -0.591 1.00 10.00 H new ATOM 170 N THR A 12 6.386 5.711 -4.994 1.00 10.00 N ATOM 171 CA THR A 12 5.735 4.463 -5.489 1.00 10.00 C ATOM 172 C THR A 12 6.651 3.752 -6.484 1.00 10.00 C ATOM 173 O THR A 12 7.222 2.720 -6.192 1.00 10.00 O ATOM 174 CB THR A 12 4.452 4.931 -6.178 1.00 10.00 C ATOM 175 OG1 THR A 12 3.536 5.402 -5.199 1.00 10.00 O ATOM 176 CG2 THR A 12 3.827 3.764 -6.945 1.00 10.00 C ATOM 0 H THR A 12 5.764 6.513 -4.888 1.00 10.00 H new ATOM 0 HA THR A 12 5.529 3.756 -4.685 1.00 10.00 H new ATOM 0 HB THR A 12 4.686 5.736 -6.875 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.714 5.704 -5.639 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.913 4.099 -7.435 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.530 3.404 -7.696 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.592 2.957 -6.251 1.00 10.00 H new ATOM 184 N GLU A 13 6.793 4.301 -7.657 1.00 10.00 N ATOM 185 CA GLU A 13 7.671 3.670 -8.685 1.00 10.00 C ATOM 186 C GLU A 13 8.876 2.994 -8.023 1.00 10.00 C ATOM 187 O GLU A 13 9.195 1.857 -8.310 1.00 10.00 O ATOM 188 CB GLU A 13 8.129 4.824 -9.577 1.00 10.00 C ATOM 189 CG GLU A 13 7.600 4.610 -10.995 1.00 10.00 C ATOM 190 CD GLU A 13 8.328 3.427 -11.636 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.464 3.185 -11.265 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.737 2.783 -12.487 1.00 10.00 O ATOM 0 H GLU A 13 6.337 5.165 -7.951 1.00 10.00 H new ATOM 0 HA GLU A 13 7.149 2.897 -9.249 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.765 5.772 -9.180 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.217 4.880 -9.588 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.527 4.420 -10.970 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.751 5.510 -11.591 1.00 10.00 H new ATOM 199 N LEU A 14 9.544 3.681 -7.139 1.00 10.00 N ATOM 200 CA LEU A 14 10.724 3.072 -6.461 1.00 10.00 C ATOM 201 C LEU A 14 10.298 1.824 -5.684 1.00 10.00 C ATOM 202 O LEU A 14 10.501 0.710 -6.123 1.00 10.00 O ATOM 203 CB LEU A 14 11.234 4.151 -5.508 1.00 10.00 C ATOM 204 CG LEU A 14 12.301 4.991 -6.214 1.00 10.00 C ATOM 205 CD1 LEU A 14 11.649 6.226 -6.838 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.357 5.431 -5.197 1.00 10.00 C ATOM 0 H LEU A 14 9.325 4.636 -6.856 1.00 10.00 H new ATOM 0 HA LEU A 14 11.492 2.759 -7.168 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.409 4.787 -5.186 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.651 3.692 -4.612 1.00 10.00 H new ATOM 0 HG LEU A 14 12.773 4.396 -6.996 1.00 10.00 H new ATOM 0 HD11 LEU A 14 12.409 6.824 -7.341 1.00 10.00 H new ATOM 0 HD12 LEU A 14 10.896 5.914 -7.562 1.00 10.00 H new ATOM 0 HD13 LEU A 14 11.177 6.822 -6.057 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.118 6.029 -5.698 1.00 10.00 H new ATOM 0 HD22 LEU A 14 12.884 6.026 -4.416 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.822 4.551 -4.752 1.00 10.00 H new ATOM 218 N LEU A 15 9.705 2.001 -4.534 1.00 10.00 N ATOM 219 CA LEU A 15 9.266 0.819 -3.738 1.00 10.00 C ATOM 220 C LEU A 15 8.593 -0.205 -4.653 1.00 10.00 C ATOM 221 O LEU A 15 8.938 -1.370 -4.654 1.00 10.00 O ATOM 222 CB LEU A 15 8.270 1.371 -2.718 1.00 10.00 C ATOM 223 CG LEU A 15 8.929 1.425 -1.339 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.271 2.151 -1.442 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.018 2.179 -0.367 1.00 10.00 C ATOM 0 H LEU A 15 9.506 2.909 -4.113 1.00 10.00 H new ATOM 0 HA LEU A 15 10.100 0.313 -3.252 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.943 2.367 -3.016 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.381 0.741 -2.684 1.00 10.00 H new ATOM 0 HG LEU A 15 9.091 0.410 -0.975 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.740 2.189 -0.459 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.922 1.617 -2.134 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.109 3.165 -1.806 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.487 2.218 0.616 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.857 3.193 -0.732 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.060 1.664 -0.292 1.00 10.00 H new ATOM 237 N GLN A 16 7.640 0.219 -5.440 1.00 10.00 N ATOM 238 CA GLN A 16 6.960 -0.737 -6.359 1.00 10.00 C ATOM 239 C GLN A 16 8.007 -1.562 -7.105 1.00 10.00 C ATOM 240 O GLN A 16 7.926 -2.772 -7.175 1.00 10.00 O ATOM 241 CB GLN A 16 6.167 0.133 -7.333 1.00 10.00 C ATOM 242 CG GLN A 16 4.714 -0.341 -7.375 1.00 10.00 C ATOM 243 CD GLN A 16 3.871 0.666 -8.159 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.369 1.337 -9.041 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.606 0.800 -7.872 1.00 10.00 N ATOM 0 H GLN A 16 7.305 1.181 -5.486 1.00 10.00 H new ATOM 0 HA GLN A 16 6.312 -1.435 -5.829 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.211 1.177 -7.023 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.608 0.077 -8.328 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.654 -1.324 -7.843 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.325 -0.446 -6.362 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.189 0.236 -7.131 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.034 1.468 -8.388 1.00 10.00 H new ATOM 254 N GLY A 17 8.996 -0.914 -7.656 1.00 10.00 N ATOM 255 CA GLY A 17 10.054 -1.662 -8.389 1.00 10.00 C ATOM 256 C GLY A 17 10.529 -2.825 -7.522 1.00 10.00 C ATOM 257 O GLY A 17 10.517 -3.966 -7.938 1.00 10.00 O ATOM 0 H GLY A 17 9.117 0.099 -7.630 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.665 -2.033 -9.337 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.889 -1.001 -8.624 1.00 10.00 H new ATOM 261 N TYR A 18 10.943 -2.544 -6.315 1.00 10.00 N ATOM 262 CA TYR A 18 11.410 -3.634 -5.415 1.00 10.00 C ATOM 263 C TYR A 18 10.500 -4.854 -5.561 1.00 10.00 C ATOM 264 O TYR A 18 10.942 -5.940 -5.880 1.00 10.00 O ATOM 265 CB TYR A 18 11.306 -3.054 -4.005 1.00 10.00 C ATOM 266 CG TYR A 18 12.485 -3.511 -3.182 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.768 -3.516 -3.741 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.295 -3.933 -1.860 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.863 -3.941 -2.977 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.388 -4.358 -1.096 1.00 10.00 C ATOM 271 CZ TYR A 18 14.672 -4.363 -1.655 1.00 10.00 C ATOM 272 OH TYR A 18 15.748 -4.784 -0.902 1.00 10.00 O ATOM 0 H TYR A 18 10.977 -1.606 -5.915 1.00 10.00 H new ATOM 0 HA TYR A 18 12.424 -3.960 -5.646 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.281 -1.965 -4.050 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.376 -3.375 -3.536 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.914 -3.192 -4.761 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.304 -3.930 -1.430 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.854 -3.943 -3.407 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.241 -4.682 -0.076 1.00 10.00 H new ATOM 0 HH TYR A 18 15.670 -5.745 -0.729 1.00 10.00 H new ATOM 282 N THR A 19 9.226 -4.679 -5.336 1.00 10.00 N ATOM 283 CA THR A 19 8.281 -5.824 -5.468 1.00 10.00 C ATOM 284 C THR A 19 8.531 -6.548 -6.793 1.00 10.00 C ATOM 285 O THR A 19 8.674 -7.753 -6.834 1.00 10.00 O ATOM 286 CB THR A 19 6.884 -5.182 -5.422 1.00 10.00 C ATOM 287 OG1 THR A 19 6.284 -5.470 -4.166 1.00 10.00 O ATOM 288 CG2 THR A 19 5.987 -5.725 -6.542 1.00 10.00 C ATOM 0 H THR A 19 8.799 -3.793 -5.067 1.00 10.00 H new ATOM 0 HA THR A 19 8.397 -6.572 -4.684 1.00 10.00 H new ATOM 0 HB THR A 19 6.993 -4.106 -5.559 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.393 -5.063 -4.128 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.006 -5.253 -6.484 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.439 -5.505 -7.509 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.878 -6.804 -6.430 1.00 10.00 H new ATOM 296 N VAL A 20 8.586 -5.822 -7.876 1.00 10.00 N ATOM 297 CA VAL A 20 8.826 -6.470 -9.197 1.00 10.00 C ATOM 298 C VAL A 20 10.164 -7.216 -9.191 1.00 10.00 C ATOM 299 O VAL A 20 10.346 -8.186 -9.899 1.00 10.00 O ATOM 300 CB VAL A 20 8.861 -5.317 -10.199 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.854 -5.877 -11.623 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.631 -4.429 -9.994 1.00 10.00 C ATOM 0 H VAL A 20 8.475 -4.808 -7.903 1.00 10.00 H new ATOM 0 HA VAL A 20 8.058 -7.204 -9.442 1.00 10.00 H new ATOM 0 HB VAL A 20 9.766 -4.729 -10.046 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.879 -5.054 -12.338 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.729 -6.511 -11.769 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.949 -6.465 -11.778 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.654 -3.606 -10.708 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.727 -5.018 -10.148 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.635 -4.030 -8.980 1.00 10.00 H new ATOM 312 N GLU A 21 11.098 -6.775 -8.394 1.00 10.00 N ATOM 313 CA GLU A 21 12.422 -7.467 -8.349 1.00 10.00 C ATOM 314 C GLU A 21 12.383 -8.589 -7.316 1.00 10.00 C ATOM 315 O GLU A 21 12.741 -9.717 -7.589 1.00 10.00 O ATOM 316 CB GLU A 21 13.446 -6.409 -7.929 1.00 10.00 C ATOM 317 CG GLU A 21 12.884 -5.014 -8.174 1.00 10.00 C ATOM 318 CD GLU A 21 14.030 -4.037 -8.443 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.916 -4.389 -9.202 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.001 -2.953 -7.886 1.00 10.00 O ATOM 0 H GLU A 21 11.005 -5.970 -7.774 1.00 10.00 H new ATOM 0 HA GLU A 21 12.676 -7.905 -9.314 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.695 -6.530 -6.875 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.370 -6.542 -8.492 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.201 -5.031 -9.023 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.309 -4.686 -7.308 1.00 10.00 H new ATOM 327 N VAL A 22 11.949 -8.282 -6.128 1.00 10.00 N ATOM 328 CA VAL A 22 11.884 -9.323 -5.067 1.00 10.00 C ATOM 329 C VAL A 22 11.003 -10.484 -5.530 1.00 10.00 C ATOM 330 O VAL A 22 11.275 -11.633 -5.243 1.00 10.00 O ATOM 331 CB VAL A 22 11.269 -8.620 -3.856 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.544 -9.446 -2.604 1.00 10.00 C ATOM 333 CG2 VAL A 22 11.899 -7.234 -3.689 1.00 10.00 C ATOM 0 H VAL A 22 11.636 -7.354 -5.845 1.00 10.00 H new ATOM 0 HA VAL A 22 12.863 -9.742 -4.832 1.00 10.00 H new ATOM 0 HB VAL A 22 10.194 -8.516 -4.005 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.108 -8.949 -1.737 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.101 -10.436 -2.716 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.620 -9.544 -2.462 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.459 -6.736 -2.825 1.00 10.00 H new ATOM 0 HG22 VAL A 22 12.974 -7.338 -3.539 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.714 -6.640 -4.584 1.00 10.00 H new ATOM 343 N LEU A 23A 9.955 -10.197 -6.253 1.00 10.00 N ATOM 344 CA LEU A 23A 9.068 -11.291 -6.743 1.00 10.00 C ATOM 345 C LEU A 23A 9.772 -12.063 -7.859 1.00 10.00 C ATOM 346 O LEU A 23A 9.726 -13.276 -7.916 1.00 10.00 O ATOM 347 CB LEU A 23A 7.819 -10.589 -7.278 1.00 10.00 C ATOM 348 CG LEU A 23A 6.720 -10.618 -6.215 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.910 -9.322 -6.279 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.795 -11.809 -6.474 1.00 10.00 C ATOM 0 H LEU A 23A 9.675 -9.255 -6.525 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.819 -12.008 -5.960 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.054 -9.559 -7.544 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.473 -11.082 -8.187 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.172 -10.714 -5.228 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.127 -9.344 -5.521 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.568 -8.472 -6.096 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.457 -9.224 -7.266 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.011 -11.832 -5.717 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.344 -11.711 -7.461 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 6.371 -12.733 -6.428 1.00 10.00 H new ATOM 362 N ARG A 24 10.430 -11.367 -8.748 1.00 10.00 N ATOM 363 CA ARG A 24 11.144 -12.059 -9.859 1.00 10.00 C ATOM 364 C ARG A 24 12.462 -12.649 -9.350 1.00 10.00 C ATOM 365 O ARG A 24 12.805 -13.777 -9.647 1.00 10.00 O ATOM 366 CB ARG A 24 11.409 -10.968 -10.897 1.00 10.00 C ATOM 367 CG ARG A 24 11.022 -11.480 -12.287 1.00 10.00 C ATOM 368 CD ARG A 24 9.610 -11.001 -12.633 1.00 10.00 C ATOM 369 NE ARG A 24 9.497 -11.171 -14.108 1.00 10.00 N ATOM 370 CZ ARG A 24 9.522 -12.367 -14.629 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.644 -13.259 -14.257 1.00 10.00 N ATOM 372 NH2 ARG A 24 10.421 -12.671 -15.523 1.00 10.00 N ATOM 0 H ARG A 24 10.503 -10.350 -8.752 1.00 10.00 H new ATOM 0 HA ARG A 24 10.566 -12.884 -10.274 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.835 -10.074 -10.655 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.462 -10.685 -10.882 1.00 10.00 H new ATOM 0 HG2 ARG A 24 11.732 -11.118 -13.030 1.00 10.00 H new ATOM 0 HG3 ARG A 24 11.064 -12.569 -12.310 1.00 10.00 H new ATOM 0 HD2 ARG A 24 8.855 -11.587 -12.109 1.00 10.00 H new ATOM 0 HD3 ARG A 24 9.464 -9.960 -12.343 1.00 10.00 H new ATOM 0 HE ARG A 24 9.400 -10.354 -14.710 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.939 -13.021 -13.559 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.663 -14.194 -14.664 1.00 10.00 H new ATOM 0 HH21 ARG A 24 11.105 -11.974 -15.816 1.00 10.00 H new ATOM 0 HH22 ARG A 24 10.440 -13.606 -15.930 1.00 10.00 H new ATOM 386 N GLN A 25 13.205 -11.897 -8.585 1.00 10.00 N ATOM 387 CA GLN A 25 14.499 -12.415 -8.057 1.00 10.00 C ATOM 388 C GLN A 25 14.255 -13.287 -6.823 1.00 10.00 C ATOM 389 O GLN A 25 14.976 -14.229 -6.562 1.00 10.00 O ATOM 390 CB GLN A 25 15.304 -11.168 -7.687 1.00 10.00 C ATOM 391 CG GLN A 25 15.300 -10.188 -8.862 1.00 10.00 C ATOM 392 CD GLN A 25 15.632 -10.937 -10.154 1.00 10.00 C ATOM 393 OE1 GLN A 25 14.750 -11.274 -10.919 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.877 -11.214 -10.431 1.00 10.00 N ATOM 0 H GLN A 25 12.972 -10.945 -8.302 1.00 10.00 H new ATOM 0 HA GLN A 25 15.024 -13.036 -8.783 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.875 -10.695 -6.804 1.00 10.00 H new ATOM 0 HB3 GLN A 25 16.328 -11.445 -7.435 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.324 -9.710 -8.947 1.00 10.00 H new ATOM 0 HG3 GLN A 25 16.029 -9.396 -8.691 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.617 -10.931 -9.789 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.110 -11.713 -11.290 1.00 10.00 H new ATOM 403 N GLN A 26 13.240 -12.978 -6.064 1.00 10.00 N ATOM 404 CA GLN A 26 12.943 -13.786 -4.845 1.00 10.00 C ATOM 405 C GLN A 26 14.238 -14.120 -4.099 1.00 10.00 C ATOM 406 O GLN A 26 14.538 -15.273 -3.863 1.00 10.00 O ATOM 407 CB GLN A 26 12.280 -15.063 -5.367 1.00 10.00 C ATOM 408 CG GLN A 26 10.768 -14.985 -5.139 1.00 10.00 C ATOM 409 CD GLN A 26 10.327 -16.131 -4.225 1.00 10.00 C ATOM 410 OE1 GLN A 26 11.082 -17.052 -3.979 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.129 -16.113 -3.709 1.00 10.00 N ATOM 0 H GLN A 26 12.602 -12.200 -6.234 1.00 10.00 H new ATOM 0 HA GLN A 26 12.303 -13.251 -4.143 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.492 -15.187 -6.429 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.691 -15.934 -4.856 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.507 -14.027 -4.690 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.243 -15.044 -6.092 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.496 -15.340 -3.916 1.00 10.00 H new ATOM 0 HE22 GLN A 26 8.825 -16.872 -3.099 1.00 10.00 H new ATOM 420 N PRO A 27 14.962 -13.091 -3.751 1.00 10.00 N ATOM 421 CA PRO A 27 16.241 -13.268 -3.023 1.00 10.00 C ATOM 422 C PRO A 27 15.983 -13.745 -1.591 1.00 10.00 C ATOM 423 O PRO A 27 14.897 -13.581 -1.068 1.00 10.00 O ATOM 424 CB PRO A 27 16.854 -11.870 -3.028 1.00 10.00 C ATOM 425 CG PRO A 27 15.690 -10.947 -3.180 1.00 10.00 C ATOM 426 CD PRO A 27 14.664 -11.680 -4.002 1.00 10.00 C ATOM 0 HA PRO A 27 16.891 -14.015 -3.478 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.398 -11.673 -2.104 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.563 -11.751 -3.847 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.283 -10.673 -2.207 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.991 -10.022 -3.671 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.649 -11.425 -3.697 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.749 -11.435 -5.061 1.00 10.00 H new ATOM 434 N PRO A 28 16.996 -14.320 -1.004 1.00 10.00 N ATOM 435 CA PRO A 28 16.888 -14.831 0.384 1.00 10.00 C ATOM 436 C PRO A 28 16.786 -13.671 1.378 1.00 10.00 C ATOM 437 O PRO A 28 16.124 -13.767 2.393 1.00 10.00 O ATOM 438 CB PRO A 28 18.190 -15.606 0.583 1.00 10.00 C ATOM 439 CG PRO A 28 19.145 -14.997 -0.391 1.00 10.00 C ATOM 440 CD PRO A 28 18.326 -14.549 -1.571 1.00 10.00 C ATOM 0 HA PRO A 28 16.002 -15.445 0.546 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.554 -15.513 1.606 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.051 -16.670 0.390 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.672 -14.155 0.058 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.901 -15.720 -0.696 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.732 -13.642 -2.019 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.303 -15.308 -2.353 1.00 10.00 H new ATOM 448 N ASP A 29 17.435 -12.576 1.096 1.00 10.00 N ATOM 449 CA ASP A 29 17.373 -11.412 2.026 1.00 10.00 C ATOM 450 C ASP A 29 17.220 -10.112 1.232 1.00 10.00 C ATOM 451 O ASP A 29 17.928 -9.870 0.274 1.00 10.00 O ATOM 452 CB ASP A 29 18.703 -11.428 2.783 1.00 10.00 C ATOM 453 CG ASP A 29 19.124 -12.875 3.056 1.00 10.00 C ATOM 454 OD1 ASP A 29 18.547 -13.482 3.943 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.017 -13.350 2.373 1.00 10.00 O ATOM 0 H ASP A 29 18.006 -12.436 0.262 1.00 10.00 H new ATOM 0 HA ASP A 29 16.523 -11.473 2.705 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.471 -10.920 2.200 1.00 10.00 H new ATOM 0 HB3 ASP A 29 18.604 -10.884 3.723 1.00 10.00 H new ATOM 460 N LEU A 30 16.298 -9.273 1.621 1.00 10.00 N ATOM 461 CA LEU A 30 16.098 -7.989 0.888 1.00 10.00 C ATOM 462 C LEU A 30 17.180 -6.982 1.286 1.00 10.00 C ATOM 463 O LEU A 30 17.782 -6.342 0.447 1.00 10.00 O ATOM 464 CB LEU A 30 14.719 -7.489 1.324 1.00 10.00 C ATOM 465 CG LEU A 30 13.720 -8.648 1.326 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.991 -8.689 2.670 1.00 10.00 C ATOM 467 CD2 LEU A 30 12.700 -8.445 0.204 1.00 10.00 C ATOM 0 H LEU A 30 15.675 -9.421 2.415 1.00 10.00 H new ATOM 0 HA LEU A 30 16.161 -8.118 -0.192 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.780 -7.049 2.319 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.377 -6.704 0.649 1.00 10.00 H new ATOM 0 HG LEU A 30 14.253 -9.586 1.170 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.279 -9.514 2.673 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.715 -8.832 3.472 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.459 -7.750 2.824 1.00 10.00 H new ATOM 0 HD21 LEU A 30 11.988 -9.271 0.205 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.168 -7.507 0.361 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.216 -8.413 -0.755 1.00 10.00 H new ATOM 479 N VAL A 31 17.425 -6.841 2.562 1.00 10.00 N ATOM 480 CA VAL A 31 18.469 -5.877 3.032 1.00 10.00 C ATOM 481 C VAL A 31 19.580 -5.748 1.993 1.00 10.00 C ATOM 482 O VAL A 31 19.741 -4.724 1.360 1.00 10.00 O ATOM 483 CB VAL A 31 19.022 -6.490 4.317 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.880 -5.457 5.050 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.862 -6.918 5.217 1.00 10.00 C ATOM 0 H VAL A 31 16.946 -7.353 3.303 1.00 10.00 H new ATOM 0 HA VAL A 31 18.061 -4.879 3.191 1.00 10.00 H new ATOM 0 HB VAL A 31 19.632 -7.359 4.070 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.274 -5.896 5.967 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.707 -5.151 4.410 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.271 -4.587 5.297 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.256 -7.356 6.134 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.252 -6.049 5.462 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.251 -7.655 4.697 1.00 10.00 H new ATOM 495 N ASP A 32 20.345 -6.785 1.811 1.00 10.00 N ATOM 496 CA ASP A 32 21.444 -6.734 0.812 1.00 10.00 C ATOM 497 C ASP A 32 20.891 -6.275 -0.539 1.00 10.00 C ATOM 498 O ASP A 32 21.405 -5.359 -1.149 1.00 10.00 O ATOM 499 CB ASP A 32 21.971 -8.172 0.754 1.00 10.00 C ATOM 500 CG ASP A 32 21.529 -8.848 -0.547 1.00 10.00 C ATOM 501 OD1 ASP A 32 20.448 -9.411 -0.561 1.00 10.00 O ATOM 502 OD2 ASP A 32 22.280 -8.788 -1.507 1.00 10.00 O ATOM 0 H ASP A 32 20.256 -7.669 2.313 1.00 10.00 H new ATOM 0 HA ASP A 32 22.235 -6.031 1.072 1.00 10.00 H new ATOM 0 HB2 ASP A 32 23.059 -8.171 0.820 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.601 -8.737 1.609 1.00 10.00 H new ATOM 507 N PHE A 33 19.838 -6.888 -1.003 1.00 10.00 N ATOM 508 CA PHE A 33 19.249 -6.461 -2.302 1.00 10.00 C ATOM 509 C PHE A 33 19.011 -4.954 -2.263 1.00 10.00 C ATOM 510 O PHE A 33 19.643 -4.192 -2.969 1.00 10.00 O ATOM 511 CB PHE A 33 17.921 -7.213 -2.404 1.00 10.00 C ATOM 512 CG PHE A 33 17.279 -6.950 -3.748 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.874 -6.064 -4.656 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.085 -7.598 -4.087 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.277 -5.830 -5.902 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.488 -7.363 -5.332 1.00 10.00 C ATOM 517 CZ PHE A 33 16.084 -6.479 -6.239 1.00 10.00 C ATOM 0 H PHE A 33 19.362 -7.663 -0.541 1.00 10.00 H new ATOM 0 HA PHE A 33 19.894 -6.675 -3.154 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.088 -8.282 -2.275 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.252 -6.896 -1.604 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.793 -5.561 -4.395 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.624 -8.280 -3.388 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.738 -5.149 -6.602 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.567 -7.864 -5.592 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.623 -6.298 -7.199 1.00 10.00 H new ATOM 527 N ALA A 34 18.106 -4.524 -1.431 1.00 10.00 N ATOM 528 CA ALA A 34 17.822 -3.067 -1.321 1.00 10.00 C ATOM 529 C ALA A 34 19.128 -2.274 -1.397 1.00 10.00 C ATOM 530 O ALA A 34 19.159 -1.156 -1.869 1.00 10.00 O ATOM 531 CB ALA A 34 17.175 -2.895 0.054 1.00 10.00 C ATOM 0 H ALA A 34 17.549 -5.121 -0.820 1.00 10.00 H new ATOM 0 HA ALA A 34 17.179 -2.707 -2.124 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.934 -1.844 0.214 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.262 -3.488 0.103 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.867 -3.230 0.826 1.00 10.00 H new ATOM 537 N VAL A 35 20.210 -2.845 -0.938 1.00 10.00 N ATOM 538 CA VAL A 35 21.505 -2.129 -0.983 1.00 10.00 C ATOM 539 C VAL A 35 22.159 -2.309 -2.356 1.00 10.00 C ATOM 540 O VAL A 35 22.408 -1.356 -3.065 1.00 10.00 O ATOM 541 CB VAL A 35 22.329 -2.800 0.110 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.809 -2.547 -0.139 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.931 -2.225 1.467 1.00 10.00 C ATOM 0 H VAL A 35 20.246 -3.781 -0.533 1.00 10.00 H new ATOM 0 HA VAL A 35 21.409 -1.054 -0.829 1.00 10.00 H new ATOM 0 HB VAL A 35 22.142 -3.874 0.101 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.397 -3.027 0.643 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.090 -2.958 -1.109 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.001 -1.474 -0.130 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.518 -2.703 2.251 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.118 -1.151 1.476 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.871 -2.410 1.644 1.00 10.00 H new ATOM 553 N GLU A 36 22.434 -3.525 -2.735 1.00 10.00 N ATOM 554 CA GLU A 36 23.069 -3.769 -4.062 1.00 10.00 C ATOM 555 C GLU A 36 22.297 -3.027 -5.159 1.00 10.00 C ATOM 556 O GLU A 36 22.869 -2.536 -6.112 1.00 10.00 O ATOM 557 CB GLU A 36 22.986 -5.289 -4.257 1.00 10.00 C ATOM 558 CG GLU A 36 22.293 -5.616 -5.584 1.00 10.00 C ATOM 559 CD GLU A 36 22.531 -7.085 -5.935 1.00 10.00 C ATOM 560 OE1 GLU A 36 22.828 -7.850 -5.032 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.414 -7.421 -7.102 1.00 10.00 O ATOM 0 H GLU A 36 22.247 -4.362 -2.183 1.00 10.00 H new ATOM 0 HA GLU A 36 24.097 -3.411 -4.111 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.987 -5.719 -4.246 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.436 -5.739 -3.431 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.224 -5.418 -5.507 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.679 -4.975 -6.376 1.00 10.00 H new ATOM 568 N TYR A 37 21.000 -2.949 -5.032 1.00 10.00 N ATOM 569 CA TYR A 37 20.187 -2.248 -6.067 1.00 10.00 C ATOM 570 C TYR A 37 20.295 -0.730 -5.900 1.00 10.00 C ATOM 571 O TYR A 37 20.792 -0.036 -6.765 1.00 10.00 O ATOM 572 CB TYR A 37 18.754 -2.716 -5.814 1.00 10.00 C ATOM 573 CG TYR A 37 17.783 -1.785 -6.500 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.837 -1.613 -7.888 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.827 -1.096 -5.745 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.933 -0.752 -8.521 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.921 -0.235 -6.378 1.00 10.00 C ATOM 578 CZ TYR A 37 15.976 -0.062 -7.767 1.00 10.00 C ATOM 579 OH TYR A 37 15.084 0.786 -8.392 1.00 10.00 O ATOM 0 H TYR A 37 20.468 -3.341 -4.255 1.00 10.00 H new ATOM 0 HA TYR A 37 20.523 -2.473 -7.079 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.622 -3.732 -6.186 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.553 -2.740 -4.743 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.576 -2.144 -8.470 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.788 -1.228 -4.674 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.974 -0.620 -9.592 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.181 0.295 -5.796 1.00 10.00 H new ATOM 0 HH TYR A 37 14.488 1.184 -7.724 1.00 10.00 H new ATOM 589 N PHE A 38 19.828 -0.208 -4.799 1.00 10.00 N ATOM 590 CA PHE A 38 19.899 1.266 -4.586 1.00 10.00 C ATOM 591 C PHE A 38 21.354 1.747 -4.657 1.00 10.00 C ATOM 592 O PHE A 38 21.658 2.734 -5.296 1.00 10.00 O ATOM 593 CB PHE A 38 19.317 1.495 -3.192 1.00 10.00 C ATOM 594 CG PHE A 38 17.810 1.430 -3.260 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.127 2.102 -4.280 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.095 0.695 -2.305 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.730 2.042 -4.345 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.698 0.636 -2.369 1.00 10.00 C ATOM 599 CZ PHE A 38 15.015 1.308 -3.389 1.00 10.00 C ATOM 0 H PHE A 38 19.401 -0.737 -4.039 1.00 10.00 H new ATOM 0 HA PHE A 38 19.351 1.820 -5.348 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.694 0.741 -2.501 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.633 2.465 -2.809 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.678 2.667 -5.017 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.622 0.174 -1.519 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.203 2.561 -5.132 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.147 0.072 -1.631 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.937 1.261 -3.439 1.00 10.00 H new ATOM 609 N THR A 39 22.257 1.061 -4.008 1.00 10.00 N ATOM 610 CA THR A 39 23.686 1.493 -4.053 1.00 10.00 C ATOM 611 C THR A 39 24.137 1.654 -5.507 1.00 10.00 C ATOM 612 O THR A 39 24.767 2.628 -5.867 1.00 10.00 O ATOM 613 CB THR A 39 24.472 0.372 -3.369 1.00 10.00 C ATOM 614 OG1 THR A 39 24.225 0.406 -1.969 1.00 10.00 O ATOM 615 CG2 THR A 39 25.967 0.564 -3.631 1.00 10.00 C ATOM 0 H THR A 39 22.070 0.226 -3.452 1.00 10.00 H new ATOM 0 HA THR A 39 23.841 2.452 -3.558 1.00 10.00 H new ATOM 0 HB THR A 39 24.155 -0.591 -3.769 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.514 -0.231 -1.747 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.527 -0.234 -3.144 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.155 0.536 -4.704 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.286 1.527 -3.232 1.00 10.00 H new ATOM 623 N ARG A 40 23.816 0.706 -6.345 1.00 10.00 N ATOM 624 CA ARG A 40 24.223 0.806 -7.775 1.00 10.00 C ATOM 625 C ARG A 40 23.459 1.942 -8.460 1.00 10.00 C ATOM 626 O ARG A 40 23.945 2.559 -9.388 1.00 10.00 O ATOM 627 CB ARG A 40 23.845 -0.543 -8.390 1.00 10.00 C ATOM 628 CG ARG A 40 25.112 -1.270 -8.843 1.00 10.00 C ATOM 629 CD ARG A 40 25.083 -2.711 -8.329 1.00 10.00 C ATOM 630 NE ARG A 40 26.403 -3.283 -8.714 1.00 10.00 N ATOM 631 CZ ARG A 40 26.552 -3.849 -9.881 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.872 -3.126 -10.919 1.00 10.00 N ATOM 633 NH2 ARG A 40 26.382 -5.136 -10.009 1.00 10.00 N ATOM 0 H ARG A 40 23.290 -0.133 -6.101 1.00 10.00 H new ATOM 0 HA ARG A 40 25.285 1.021 -7.890 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.306 -1.149 -7.661 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.176 -0.394 -9.237 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.180 -1.262 -9.931 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.995 -0.755 -8.465 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.939 -2.742 -7.249 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.263 -3.273 -8.776 1.00 10.00 H new ATOM 0 HE ARG A 40 27.190 -3.233 -8.067 1.00 10.00 H new ATOM 0 HH11 ARG A 40 27.005 -2.120 -10.818 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.989 -3.567 -11.831 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.132 -5.701 -9.197 1.00 10.00 H new ATOM 0 HH22 ARG A 40 26.499 -5.578 -10.921 1.00 10.00 H new ATOM 647 N LEU A 41 22.267 2.222 -8.008 1.00 10.00 N ATOM 648 CA LEU A 41 21.471 3.320 -8.631 1.00 10.00 C ATOM 649 C LEU A 41 21.981 4.681 -8.146 1.00 10.00 C ATOM 650 O LEU A 41 21.866 5.679 -8.830 1.00 10.00 O ATOM 651 CB LEU A 41 20.034 3.088 -8.161 1.00 10.00 C ATOM 652 CG LEU A 41 19.137 2.819 -9.369 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.698 2.597 -8.896 1.00 10.00 C ATOM 654 CD2 LEU A 41 19.180 4.022 -10.315 1.00 10.00 C ATOM 0 H LEU A 41 21.809 1.739 -7.235 1.00 10.00 H new ATOM 0 HA LEU A 41 21.547 3.319 -9.718 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.998 2.243 -7.473 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.674 3.960 -7.615 1.00 10.00 H new ATOM 0 HG LEU A 41 19.490 1.931 -9.893 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.058 2.405 -9.757 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.665 1.742 -8.221 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.346 3.486 -8.373 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.540 3.830 -11.177 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.826 4.910 -9.791 1.00 10.00 H new ATOM 0 HD23 LEU A 41 20.204 4.183 -10.652 1.00 10.00 H new ATOM 666 N ARG A 42 22.545 4.726 -6.971 1.00 10.00 N ATOM 667 CA ARG A 42 23.065 6.017 -6.439 1.00 10.00 C ATOM 668 C ARG A 42 24.279 6.466 -7.261 1.00 10.00 C ATOM 669 O ARG A 42 24.393 7.614 -7.641 1.00 10.00 O ATOM 670 CB ARG A 42 23.444 5.705 -4.983 1.00 10.00 C ATOM 671 CG ARG A 42 24.798 6.325 -4.625 1.00 10.00 C ATOM 672 CD ARG A 42 24.578 7.686 -3.959 1.00 10.00 C ATOM 673 NE ARG A 42 25.397 7.641 -2.716 1.00 10.00 N ATOM 674 CZ ARG A 42 26.561 8.230 -2.680 1.00 10.00 C ATOM 675 NH1 ARG A 42 27.547 7.769 -3.399 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.738 9.278 -1.923 1.00 10.00 N ATOM 0 H ARG A 42 22.669 3.923 -6.355 1.00 10.00 H new ATOM 0 HA ARG A 42 22.342 6.831 -6.496 1.00 10.00 H new ATOM 0 HB2 ARG A 42 22.675 6.089 -4.313 1.00 10.00 H new ATOM 0 HB3 ARG A 42 23.484 4.626 -4.837 1.00 10.00 H new ATOM 0 HG2 ARG A 42 25.346 5.664 -3.953 1.00 10.00 H new ATOM 0 HG3 ARG A 42 25.405 6.442 -5.523 1.00 10.00 H new ATOM 0 HD2 ARG A 42 24.894 8.501 -4.611 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.524 7.849 -3.732 1.00 10.00 H new ATOM 0 HE ARG A 42 25.048 7.150 -1.893 1.00 10.00 H new ATOM 0 HH11 ARG A 42 27.408 6.949 -3.989 1.00 10.00 H new ATOM 0 HH12 ARG A 42 28.457 8.229 -3.371 1.00 10.00 H new ATOM 0 HH21 ARG A 42 25.967 9.636 -1.360 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.648 9.739 -1.894 1.00 10.00 H new ATOM 690 N GLU A 43 25.183 5.568 -7.539 1.00 10.00 N ATOM 691 CA GLU A 43 26.386 5.940 -8.336 1.00 10.00 C ATOM 692 C GLU A 43 25.982 6.276 -9.775 1.00 10.00 C ATOM 693 O GLU A 43 26.764 6.797 -10.545 1.00 10.00 O ATOM 694 CB GLU A 43 27.276 4.698 -8.309 1.00 10.00 C ATOM 695 CG GLU A 43 28.220 4.770 -7.107 1.00 10.00 C ATOM 696 CD GLU A 43 27.552 4.120 -5.895 1.00 10.00 C ATOM 697 OE1 GLU A 43 27.238 2.944 -5.977 1.00 10.00 O ATOM 698 OE2 GLU A 43 27.369 4.808 -4.906 1.00 10.00 O ATOM 0 H GLU A 43 25.141 4.591 -7.248 1.00 10.00 H new ATOM 0 HA GLU A 43 26.894 6.817 -7.934 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.662 3.799 -8.249 1.00 10.00 H new ATOM 0 HB3 GLU A 43 27.851 4.630 -9.232 1.00 10.00 H new ATOM 0 HG2 GLU A 43 29.157 4.262 -7.336 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.467 5.809 -6.886 1.00 10.00 H new ATOM 915 N LEU B 11 7.350 -8.128 4.521 1.00 10.00 N ATOM 916 CA LEU B 11 8.186 -6.969 4.095 1.00 10.00 C ATOM 917 C LEU B 11 7.587 -5.664 4.623 1.00 10.00 C ATOM 918 O LEU B 11 8.275 -4.676 4.785 1.00 10.00 O ATOM 919 CB LEU B 11 8.147 -6.993 2.568 1.00 10.00 C ATOM 920 CG LEU B 11 8.941 -5.806 2.020 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.437 -6.103 2.122 1.00 10.00 C ATOM 922 CD2 LEU B 11 8.567 -5.576 0.555 1.00 10.00 C ATOM 0 HA LEU B 11 9.204 -7.032 4.479 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.567 -7.928 2.197 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.115 -6.947 2.219 1.00 10.00 H new ATOM 0 HG LEU B 11 8.707 -4.913 2.600 1.00 10.00 H new ATOM 0 HD11 LEU B 11 11.003 -5.257 1.732 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.705 -6.268 3.166 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.671 -6.995 1.542 1.00 10.00 H new ATOM 0 HD21 LEU B 11 9.132 -4.730 0.164 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.801 -6.469 -0.025 1.00 10.00 H new ATOM 0 HD23 LEU B 11 7.500 -5.365 0.481 1.00 10.00 H new ATOM 934 N THR B 12 6.311 -5.651 4.891 1.00 10.00 N ATOM 935 CA THR B 12 5.670 -4.408 5.409 1.00 10.00 C ATOM 936 C THR B 12 6.594 -3.718 6.413 1.00 10.00 C ATOM 937 O THR B 12 7.172 -2.686 6.133 1.00 10.00 O ATOM 938 CB THR B 12 4.387 -4.877 6.096 1.00 10.00 C ATOM 939 OG1 THR B 12 3.463 -5.325 5.114 1.00 10.00 O ATOM 940 CG2 THR B 12 3.777 -3.716 6.883 1.00 10.00 C ATOM 0 H THR B 12 5.684 -6.447 4.774 1.00 10.00 H new ATOM 0 HA THR B 12 5.466 -3.688 4.616 1.00 10.00 H new ATOM 0 HB THR B 12 4.616 -5.695 6.779 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.641 -5.628 5.553 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.862 -4.049 7.373 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.487 -3.373 7.635 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.546 -2.897 6.202 1.00 10.00 H new ATOM 948 N GLU B 13 6.733 -4.285 7.577 1.00 10.00 N ATOM 949 CA GLU B 13 7.618 -3.676 8.615 1.00 10.00 C ATOM 950 C GLU B 13 8.826 -2.999 7.960 1.00 10.00 C ATOM 951 O GLU B 13 9.152 -1.867 8.260 1.00 10.00 O ATOM 952 CB GLU B 13 8.073 -4.850 9.483 1.00 10.00 C ATOM 953 CG GLU B 13 7.561 -4.659 10.912 1.00 10.00 C ATOM 954 CD GLU B 13 8.308 -3.500 11.572 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.438 -3.250 11.184 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.738 -2.880 12.456 1.00 10.00 O ATOM 0 H GLU B 13 6.270 -5.149 7.859 1.00 10.00 H new ATOM 0 HA GLU B 13 7.102 -2.910 9.194 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.696 -5.787 9.073 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.161 -4.917 9.481 1.00 10.00 H new ATOM 0 HG2 GLU B 13 6.490 -4.456 10.902 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.707 -5.574 11.487 1.00 10.00 H new ATOM 963 N LEU B 14 9.490 -3.681 7.068 1.00 10.00 N ATOM 964 CA LEU B 14 10.675 -3.071 6.398 1.00 10.00 C ATOM 965 C LEU B 14 10.256 -1.806 5.645 1.00 10.00 C ATOM 966 O LEU B 14 10.463 -0.701 6.106 1.00 10.00 O ATOM 967 CB LEU B 14 11.175 -4.136 5.422 1.00 10.00 C ATOM 968 CG LEU B 14 12.238 -4.999 6.104 1.00 10.00 C ATOM 969 CD1 LEU B 14 11.578 -6.238 6.712 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.281 -5.434 5.073 1.00 10.00 C ATOM 0 H LEU B 14 9.265 -4.631 6.774 1.00 10.00 H new ATOM 0 HA LEU B 14 11.448 -2.780 7.109 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.344 -4.759 5.091 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.592 -3.662 4.533 1.00 10.00 H new ATOM 0 HG LEU B 14 12.722 -4.421 6.891 1.00 10.00 H new ATOM 0 HD11 LEU B 14 12.336 -6.853 7.198 1.00 10.00 H new ATOM 0 HD12 LEU B 14 10.834 -5.930 7.447 1.00 10.00 H new ATOM 0 HD13 LEU B 14 11.093 -6.815 5.925 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.039 -6.049 5.559 1.00 10.00 H new ATOM 0 HD22 LEU B 14 12.796 -6.011 4.286 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.753 -4.553 4.639 1.00 10.00 H new ATOM 982 N LEU B 15 9.666 -1.957 4.490 1.00 10.00 N ATOM 983 CA LEU B 15 9.234 -0.759 3.715 1.00 10.00 C ATOM 984 C LEU B 15 8.571 0.255 4.649 1.00 10.00 C ATOM 985 O LEU B 15 8.921 1.418 4.666 1.00 10.00 O ATOM 986 CB LEU B 15 8.230 -1.287 2.689 1.00 10.00 C ATOM 987 CG LEU B 15 8.885 -1.320 1.305 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.217 -2.066 1.387 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.959 -2.039 0.321 1.00 10.00 C ATOM 0 H LEU B 15 9.465 -2.855 4.051 1.00 10.00 H new ATOM 0 HA LEU B 15 10.070 -0.251 3.235 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.898 -2.286 2.970 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.345 -0.651 2.669 1.00 10.00 H new ATOM 0 HG LEU B 15 9.061 -0.300 0.963 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.682 -2.089 0.402 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.877 -1.556 2.088 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.042 -3.086 1.730 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.424 -2.063 -0.665 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.784 -3.058 0.665 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.009 -1.508 0.261 1.00 10.00 H new ATOM 1001 N GLN B 16 7.621 -0.177 5.435 1.00 10.00 N ATOM 1002 CA GLN B 16 6.950 0.769 6.372 1.00 10.00 C ATOM 1003 C GLN B 16 8.006 1.577 7.124 1.00 10.00 C ATOM 1004 O GLN B 16 7.938 2.787 7.202 1.00 10.00 O ATOM 1005 CB GLN B 16 6.158 -0.114 7.337 1.00 10.00 C ATOM 1006 CG GLN B 16 4.709 0.371 7.402 1.00 10.00 C ATOM 1007 CD GLN B 16 3.867 -0.642 8.179 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.363 -1.310 9.064 1.00 10.00 O ATOM 1009 NE2 GLN B 16 2.604 -0.784 7.883 1.00 10.00 N ATOM 0 H GLN B 16 7.282 -1.139 5.469 1.00 10.00 H new ATOM 0 HA GLN B 16 6.302 1.479 5.858 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.190 -1.152 7.006 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.608 -0.081 8.329 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.662 1.346 7.886 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.310 0.495 6.395 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.188 -0.223 7.140 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.033 -1.456 8.395 1.00 10.00 H new ATOM 1018 N GLY B 17 8.990 0.916 7.673 1.00 10.00 N ATOM 1019 CA GLY B 17 10.055 1.651 8.411 1.00 10.00 C ATOM 1020 C GLY B 17 10.530 2.826 7.556 1.00 10.00 C ATOM 1021 O GLY B 17 10.526 3.962 7.988 1.00 10.00 O ATOM 0 H GLY B 17 9.101 -0.097 7.642 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.672 2.010 9.366 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.889 0.985 8.632 1.00 10.00 H new ATOM 1025 N TYR B 18 10.931 2.561 6.340 1.00 10.00 N ATOM 1026 CA TYR B 18 11.396 3.661 5.450 1.00 10.00 C ATOM 1027 C TYR B 18 10.484 4.878 5.611 1.00 10.00 C ATOM 1028 O TYR B 18 10.927 5.965 5.928 1.00 10.00 O ATOM 1029 CB TYR B 18 11.288 3.094 4.035 1.00 10.00 C ATOM 1030 CG TYR B 18 12.471 3.553 3.217 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.756 3.534 3.772 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.282 4.001 1.904 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.853 3.960 3.014 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.378 4.428 1.145 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.664 4.408 1.700 1.00 10.00 C ATOM 1036 OH TYR B 18 15.745 4.828 0.951 1.00 10.00 O ATOM 0 H TYR B 18 10.956 1.629 5.926 1.00 10.00 H new ATOM 0 HA TYR B 18 12.410 3.986 5.681 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.257 2.005 4.070 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.360 3.425 3.569 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.901 3.190 4.786 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.290 4.017 1.477 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.845 3.943 3.442 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.232 4.773 0.132 1.00 10.00 H new ATOM 0 HH TYR B 18 15.663 5.787 0.768 1.00 10.00 H new ATOM 1046 N THR B 19 9.209 4.698 5.405 1.00 10.00 N ATOM 1047 CA THR B 19 8.257 5.834 5.553 1.00 10.00 C ATOM 1048 C THR B 19 8.502 6.544 6.889 1.00 10.00 C ATOM 1049 O THR B 19 8.569 7.754 6.956 1.00 10.00 O ATOM 1050 CB THR B 19 6.865 5.182 5.503 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.274 5.447 4.240 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.958 5.738 6.609 1.00 10.00 C ATOM 0 H THR B 19 8.784 3.810 5.140 1.00 10.00 H new ATOM 0 HA THR B 19 8.368 6.592 4.778 1.00 10.00 H new ATOM 0 HB THR B 19 6.978 4.108 5.654 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.387 5.033 4.201 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.980 5.261 6.552 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.405 5.535 7.582 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.845 6.814 6.480 1.00 10.00 H new ATOM 1060 N VAL B 20 8.637 5.798 7.951 1.00 10.00 N ATOM 1061 CA VAL B 20 8.876 6.428 9.282 1.00 10.00 C ATOM 1062 C VAL B 20 10.219 7.164 9.289 1.00 10.00 C ATOM 1063 O VAL B 20 10.416 8.112 10.024 1.00 10.00 O ATOM 1064 CB VAL B 20 8.899 5.264 10.273 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.889 5.811 11.701 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.666 4.386 10.056 1.00 10.00 C ATOM 0 H VAL B 20 8.592 4.779 7.955 1.00 10.00 H new ATOM 0 HA VAL B 20 8.111 7.163 9.532 1.00 10.00 H new ATOM 0 HB VAL B 20 9.800 4.671 10.117 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.905 4.982 12.408 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.767 6.438 11.857 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.988 6.404 11.857 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.682 3.556 10.762 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.765 4.979 10.213 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.671 3.996 9.038 1.00 10.00 H new ATOM 1076 N GLU B 21 11.145 6.739 8.472 1.00 10.00 N ATOM 1077 CA GLU B 21 12.474 7.421 8.437 1.00 10.00 C ATOM 1078 C GLU B 21 12.440 8.558 7.422 1.00 10.00 C ATOM 1079 O GLU B 21 12.812 9.678 7.709 1.00 10.00 O ATOM 1080 CB GLU B 21 13.488 6.361 7.998 1.00 10.00 C ATOM 1081 CG GLU B 21 12.912 4.968 8.222 1.00 10.00 C ATOM 1082 CD GLU B 21 14.050 3.975 8.463 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.946 4.304 9.223 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.005 2.902 7.884 1.00 10.00 O ATOM 0 H GLU B 21 11.041 5.953 7.830 1.00 10.00 H new ATOM 0 HA GLU B 21 12.735 7.842 9.408 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.736 6.496 6.945 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.414 6.476 8.561 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.236 4.976 9.077 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.326 4.662 7.355 1.00 10.00 H new ATOM 1091 N VAL B 22 11.994 8.272 6.232 1.00 10.00 N ATOM 1092 CA VAL B 22 11.931 9.329 5.188 1.00 10.00 C ATOM 1093 C VAL B 22 11.066 10.493 5.677 1.00 10.00 C ATOM 1094 O VAL B 22 11.344 11.644 5.402 1.00 10.00 O ATOM 1095 CB VAL B 22 11.297 8.653 3.973 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.562 9.500 2.734 1.00 10.00 C ATOM 1097 CG2 VAL B 22 11.913 7.265 3.773 1.00 10.00 C ATOM 0 H VAL B 22 11.670 7.351 5.937 1.00 10.00 H new ATOM 0 HA VAL B 22 12.912 9.740 4.951 1.00 10.00 H new ATOM 0 HB VAL B 22 10.224 8.553 4.134 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.112 9.022 1.864 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.127 10.490 2.870 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.637 9.594 2.581 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.458 6.787 2.906 1.00 10.00 H new ATOM 0 HG22 VAL B 22 12.987 7.363 3.612 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.733 6.656 4.659 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.023 10.205 6.410 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.151 11.299 6.924 1.00 10.00 C ATOM 1109 C LEU B 23B 9.869 12.045 8.050 1.00 10.00 C ATOM 1110 O LEU B 23B 9.842 13.258 8.121 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.898 10.604 7.458 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.794 10.649 6.399 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.989 9.350 6.443 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.866 11.832 6.684 1.00 10.00 C ATOM 0 H LEU B 23B 9.739 9.262 6.674 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.906 12.029 6.153 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.126 9.570 7.716 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.560 11.094 8.371 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.242 10.764 5.412 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.203 9.383 5.688 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.649 8.506 6.243 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.540 9.233 7.429 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.079 11.866 5.931 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.419 11.714 7.671 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 6.438 12.759 6.653 1.00 10.00 H new ATOM 1126 N ARG B 24 10.513 11.326 8.930 1.00 10.00 N ATOM 1127 CA ARG B 24 11.238 11.991 10.049 1.00 10.00 C ATOM 1128 C ARG B 24 12.557 12.581 9.542 1.00 10.00 C ATOM 1129 O ARG B 24 12.914 13.697 9.864 1.00 10.00 O ATOM 1130 CB ARG B 24 11.501 10.878 11.065 1.00 10.00 C ATOM 1131 CG ARG B 24 11.122 11.360 12.466 1.00 10.00 C ATOM 1132 CD ARG B 24 9.707 10.889 12.805 1.00 10.00 C ATOM 1133 NE ARG B 24 9.599 11.032 14.283 1.00 10.00 N ATOM 1134 CZ ARG B 24 9.635 12.216 14.828 1.00 10.00 C ATOM 1135 NH1 ARG B 24 8.761 13.121 14.480 1.00 10.00 N ATOM 1136 NH2 ARG B 24 10.546 12.498 15.720 1.00 10.00 N ATOM 0 H ARG B 24 10.568 10.308 8.922 1.00 10.00 H new ATOM 0 HA ARG B 24 10.669 12.812 10.484 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.922 9.991 10.806 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.552 10.591 11.041 1.00 10.00 H new ATOM 0 HG2 ARG B 24 11.830 10.973 13.199 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.176 12.448 12.514 1.00 10.00 H new ATOM 0 HD2 ARG B 24 8.957 11.492 12.294 1.00 10.00 H new ATOM 0 HD3 ARG B 24 9.550 9.856 12.496 1.00 10.00 H new ATOM 0 HE ARG B 24 9.497 10.204 14.869 1.00 10.00 H new ATOM 0 HH11 ARG B 24 8.050 12.902 13.782 1.00 10.00 H new ATOM 0 HH12 ARG B 24 8.789 14.047 14.906 1.00 10.00 H new ATOM 0 HH21 ARG B 24 11.230 11.792 15.991 1.00 10.00 H new ATOM 0 HH22 ARG B 24 10.573 13.424 16.146 1.00 10.00 H new ATOM 1150 N GLN B 25 13.284 11.839 8.751 1.00 10.00 N ATOM 1151 CA GLN B 25 14.577 12.355 8.223 1.00 10.00 C ATOM 1152 C GLN B 25 14.333 13.248 7.003 1.00 10.00 C ATOM 1153 O GLN B 25 15.065 14.184 6.749 1.00 10.00 O ATOM 1154 CB GLN B 25 15.372 11.110 7.827 1.00 10.00 C ATOM 1155 CG GLN B 25 15.368 10.109 8.984 1.00 10.00 C ATOM 1156 CD GLN B 25 15.717 10.830 10.288 1.00 10.00 C ATOM 1157 OE1 GLN B 25 14.844 11.166 11.063 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.967 11.083 10.565 1.00 10.00 N ATOM 0 H GLN B 25 13.037 10.897 8.448 1.00 10.00 H new ATOM 0 HA GLN B 25 15.109 12.960 8.957 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.936 10.655 6.938 1.00 10.00 H new ATOM 0 HB3 GLN B 25 16.396 11.385 7.574 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.388 9.639 9.068 1.00 10.00 H new ATOM 0 HG3 GLN B 25 16.088 9.314 8.792 1.00 10.00 H new ATOM 0 HE21 GLN B 25 17.701 10.801 9.915 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.210 11.563 11.432 1.00 10.00 H new ATOM 1167 N GLN B 26 13.308 12.965 6.248 1.00 10.00 N ATOM 1168 CA GLN B 26 13.011 13.796 5.045 1.00 10.00 C ATOM 1169 C GLN B 26 14.304 14.130 4.295 1.00 10.00 C ATOM 1170 O GLN B 26 14.615 15.284 4.077 1.00 10.00 O ATOM 1171 CB GLN B 26 12.363 15.068 5.595 1.00 10.00 C ATOM 1172 CG GLN B 26 10.849 15.004 5.384 1.00 10.00 C ATOM 1173 CD GLN B 26 10.409 16.162 4.488 1.00 10.00 C ATOM 1174 OE1 GLN B 26 11.169 17.077 4.241 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.204 16.161 3.988 1.00 10.00 N ATOM 0 H GLN B 26 12.662 12.193 6.411 1.00 10.00 H new ATOM 0 HA GLN B 26 12.362 13.280 4.337 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.588 15.174 6.656 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.774 15.944 5.093 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.575 14.053 4.928 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.335 15.057 6.344 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.566 15.392 4.196 1.00 10.00 H new ATOM 0 HE22 GLN B 26 8.900 16.929 3.389 1.00 10.00 H new ATOM 1184 N PRO B 27 15.015 13.100 3.924 1.00 10.00 N ATOM 1185 CA PRO B 27 16.289 13.275 3.187 1.00 10.00 C ATOM 1186 C PRO B 27 16.024 13.781 1.766 1.00 10.00 C ATOM 1187 O PRO B 27 14.937 13.632 1.246 1.00 10.00 O ATOM 1188 CB PRO B 27 16.886 11.871 3.163 1.00 10.00 C ATOM 1189 CG PRO B 27 15.715 10.956 3.312 1.00 10.00 C ATOM 1190 CD PRO B 27 14.703 11.688 4.152 1.00 10.00 C ATOM 0 HA PRO B 27 16.952 14.007 3.648 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.418 11.683 2.231 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.602 11.732 3.973 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.298 10.699 2.338 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.011 10.022 3.789 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.684 11.450 3.848 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.792 11.424 5.206 1.00 10.00 H new ATOM 1198 N PRO B 28 17.037 14.365 1.187 1.00 10.00 N ATOM 1199 CA PRO B 28 16.923 14.902 -0.189 1.00 10.00 C ATOM 1200 C PRO B 28 16.810 13.761 -1.205 1.00 10.00 C ATOM 1201 O PRO B 28 16.151 13.883 -2.220 1.00 10.00 O ATOM 1202 CB PRO B 28 18.226 15.676 -0.380 1.00 10.00 C ATOM 1203 CG PRO B 28 19.186 15.048 0.577 1.00 10.00 C ATOM 1204 CD PRO B 28 18.371 14.580 1.753 1.00 10.00 C ATOM 0 HA PRO B 28 16.039 15.522 -0.334 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.584 15.600 -1.407 1.00 10.00 H new ATOM 0 HB3 PRO B 28 18.091 16.736 -0.167 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.709 14.213 0.110 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.945 15.764 0.891 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.776 13.664 2.182 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.353 15.324 2.549 1.00 10.00 H new ATOM 1212 N ASP B 29 17.447 12.652 -0.941 1.00 10.00 N ATOM 1213 CA ASP B 29 17.376 11.505 -1.893 1.00 10.00 C ATOM 1214 C ASP B 29 17.221 10.189 -1.123 1.00 10.00 C ATOM 1215 O ASP B 29 17.942 9.921 -0.183 1.00 10.00 O ATOM 1216 CB ASP B 29 18.708 11.529 -2.647 1.00 10.00 C ATOM 1217 CG ASP B 29 19.133 12.979 -2.900 1.00 10.00 C ATOM 1218 OD1 ASP B 29 18.549 13.604 -3.769 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.034 13.437 -2.217 1.00 10.00 O ATOM 0 H ASP B 29 18.013 12.490 -0.108 1.00 10.00 H new ATOM 0 HA ASP B 29 16.524 11.583 -2.569 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.473 11.011 -2.069 1.00 10.00 H new ATOM 0 HB3 ASP B 29 18.610 10.998 -3.594 1.00 10.00 H new ATOM 1224 N LEU B 30 16.286 9.366 -1.516 1.00 10.00 N ATOM 1225 CA LEU B 30 16.086 8.069 -0.805 1.00 10.00 C ATOM 1226 C LEU B 30 17.159 7.064 -1.228 1.00 10.00 C ATOM 1227 O LEU B 30 17.761 6.404 -0.405 1.00 10.00 O ATOM 1228 CB LEU B 30 14.702 7.583 -1.241 1.00 10.00 C ATOM 1229 CG LEU B 30 13.715 8.752 -1.220 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.986 8.829 -2.562 1.00 10.00 C ATOM 1231 CD2 LEU B 30 12.695 8.535 -0.098 1.00 10.00 C ATOM 0 H LEU B 30 15.653 9.535 -2.297 1.00 10.00 H new ATOM 0 HA LEU B 30 16.158 8.179 0.277 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.755 7.157 -2.243 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.357 6.792 -0.575 1.00 10.00 H new ATOM 0 HG LEU B 30 14.256 9.682 -1.047 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.283 9.662 -2.547 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.711 8.981 -3.362 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.444 7.899 -2.735 1.00 10.00 H new ATOM 0 HD21 LEU B 30 11.991 9.367 -0.081 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.154 7.605 -0.273 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.213 8.479 0.859 1.00 10.00 H new ATOM 1243 N VAL B 31 17.398 6.948 -2.507 1.00 10.00 N ATOM 1244 CA VAL B 31 18.433 5.987 -2.998 1.00 10.00 C ATOM 1245 C VAL B 31 19.550 5.834 -1.968 1.00 10.00 C ATOM 1246 O VAL B 31 19.706 4.799 -1.351 1.00 10.00 O ATOM 1247 CB VAL B 31 18.984 6.622 -4.274 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.836 5.598 -5.027 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.822 7.067 -5.162 1.00 10.00 C ATOM 0 H VAL B 31 16.921 7.478 -3.236 1.00 10.00 H new ATOM 0 HA VAL B 31 18.019 4.994 -3.172 1.00 10.00 H new ATOM 0 HB VAL B 31 19.597 7.485 -4.015 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.229 6.051 -5.937 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.664 5.278 -4.394 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.223 4.735 -5.287 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.213 7.520 -6.073 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.210 6.203 -5.421 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.213 7.796 -4.627 1.00 10.00 H new ATOM 1259 N ASP B 32 20.325 6.862 -1.776 1.00 10.00 N ATOM 1260 CA ASP B 32 21.430 6.787 -0.785 1.00 10.00 C ATOM 1261 C ASP B 32 20.882 6.301 0.559 1.00 10.00 C ATOM 1262 O ASP B 32 21.393 5.367 1.145 1.00 10.00 O ATOM 1263 CB ASP B 32 21.961 8.221 -0.699 1.00 10.00 C ATOM 1264 CG ASP B 32 21.541 8.865 0.626 1.00 10.00 C ATOM 1265 OD1 ASP B 32 20.466 9.441 0.667 1.00 10.00 O ATOM 1266 OD2 ASP B 32 22.301 8.770 1.575 1.00 10.00 O ATOM 0 H ASP B 32 20.240 7.753 -2.264 1.00 10.00 H new ATOM 0 HA ASP B 32 22.218 6.088 -1.064 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.048 8.219 -0.782 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.579 8.808 -1.534 1.00 10.00 H new ATOM 1271 N PHE B 33 19.836 6.913 1.045 1.00 10.00 N ATOM 1272 CA PHE B 33 19.254 6.462 2.337 1.00 10.00 C ATOM 1273 C PHE B 33 19.013 4.956 2.272 1.00 10.00 C ATOM 1274 O PHE B 33 19.647 4.181 2.960 1.00 10.00 O ATOM 1275 CB PHE B 33 17.926 7.213 2.458 1.00 10.00 C ATOM 1276 CG PHE B 33 17.294 6.936 3.804 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.889 6.035 4.695 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.109 7.591 4.161 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.300 5.789 5.941 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.519 7.343 5.408 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.115 6.442 6.298 1.00 10.00 C ATOM 0 H PHE B 33 19.363 7.702 0.604 1.00 10.00 H new ATOM 0 HA PHE B 33 19.904 6.659 3.190 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.092 8.284 2.339 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.251 6.905 1.660 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.803 5.529 4.421 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.649 8.287 3.475 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.761 5.094 6.628 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.604 7.847 5.682 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.661 6.251 7.259 1.00 10.00 H new ATOM 1291 N ALA B 34 18.104 4.542 1.437 1.00 10.00 N ATOM 1292 CA ALA B 34 17.815 3.089 1.301 1.00 10.00 C ATOM 1293 C ALA B 34 19.120 2.290 1.356 1.00 10.00 C ATOM 1294 O ALA B 34 19.149 1.164 1.811 1.00 10.00 O ATOM 1295 CB ALA B 34 17.159 2.945 -0.073 1.00 10.00 C ATOM 0 H ALA B 34 17.545 5.151 0.839 1.00 10.00 H new ATOM 0 HA ALA B 34 17.175 2.715 2.100 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.914 1.898 -0.251 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.247 3.542 -0.105 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.848 3.293 -0.843 1.00 10.00 H new ATOM 1301 N VAL B 35 20.200 2.861 0.896 1.00 10.00 N ATOM 1302 CA VAL B 35 21.492 2.138 0.921 1.00 10.00 C ATOM 1303 C VAL B 35 22.149 2.289 2.295 1.00 10.00 C ATOM 1304 O VAL B 35 22.407 1.320 2.981 1.00 10.00 O ATOM 1305 CB VAL B 35 22.317 2.824 -0.162 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.795 2.557 0.080 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.916 2.274 -1.529 1.00 10.00 C ATOM 0 H VAL B 35 20.238 3.802 0.503 1.00 10.00 H new ATOM 0 HA VAL B 35 21.391 1.067 0.745 1.00 10.00 H new ATOM 0 HB VAL B 35 22.134 3.898 -0.134 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.385 3.047 -0.694 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.080 2.949 1.056 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.980 1.483 0.052 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.505 2.763 -2.305 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.100 1.200 -1.557 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.857 2.466 -1.702 1.00 10.00 H new ATOM 1317 N GLU B 36 22.419 3.499 2.702 1.00 10.00 N ATOM 1318 CA GLU B 36 23.058 3.716 4.032 1.00 10.00 C ATOM 1319 C GLU B 36 22.283 2.964 5.121 1.00 10.00 C ATOM 1320 O GLU B 36 22.856 2.450 6.061 1.00 10.00 O ATOM 1321 CB GLU B 36 22.989 5.232 4.253 1.00 10.00 C ATOM 1322 CG GLU B 36 22.310 5.541 5.592 1.00 10.00 C ATOM 1323 CD GLU B 36 22.566 7.002 5.970 1.00 10.00 C ATOM 1324 OE1 GLU B 36 22.849 7.783 5.076 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.475 7.312 7.146 1.00 10.00 O ATOM 0 H GLU B 36 22.225 4.348 2.171 1.00 10.00 H new ATOM 0 HA GLU B 36 24.083 3.347 4.071 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.994 5.655 4.240 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.435 5.701 3.439 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.238 5.356 5.520 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.696 4.881 6.368 1.00 10.00 H new ATOM 1332 N TYR B 37 20.987 2.902 5.002 1.00 10.00 N ATOM 1333 CA TYR B 37 20.175 2.193 6.032 1.00 10.00 C ATOM 1334 C TYR B 37 20.273 0.677 5.843 1.00 10.00 C ATOM 1335 O TYR B 37 20.759 -0.034 6.701 1.00 10.00 O ATOM 1336 CB TYR B 37 18.744 2.675 5.795 1.00 10.00 C ATOM 1337 CG TYR B 37 17.770 1.739 6.470 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.830 1.544 7.855 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.805 1.068 5.709 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.924 0.678 8.480 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.898 0.202 6.334 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.959 0.007 7.718 1.00 10.00 C ATOM 1343 OH TYR B 37 15.066 -0.848 8.334 1.00 10.00 O ATOM 0 H TYR B 37 20.453 3.312 4.236 1.00 10.00 H new ATOM 0 HA TYR B 37 20.518 2.401 7.046 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.622 3.685 6.185 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.538 2.719 4.726 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.575 2.061 8.441 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.760 1.218 4.640 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.969 0.528 9.549 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.152 -0.315 5.748 1.00 10.00 H new ATOM 0 HH TYR B 37 14.463 -1.231 7.663 1.00 10.00 H new ATOM 1353 N PHE B 38 19.812 0.175 4.731 1.00 10.00 N ATOM 1354 CA PHE B 38 19.875 -1.295 4.496 1.00 10.00 C ATOM 1355 C PHE B 38 21.327 -1.785 4.551 1.00 10.00 C ATOM 1356 O PHE B 38 21.625 -2.792 5.163 1.00 10.00 O ATOM 1357 CB PHE B 38 19.284 -1.497 3.100 1.00 10.00 C ATOM 1358 CG PHE B 38 17.777 -1.420 3.177 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.092 -2.104 4.188 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.064 -0.664 2.237 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.695 -2.033 4.260 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.668 -0.593 2.309 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.983 -1.277 3.321 1.00 10.00 C ATOM 0 H PHE B 38 19.395 0.718 3.975 1.00 10.00 H new ATOM 0 HA PHE B 38 19.329 -1.858 5.253 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.664 -0.736 2.419 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.590 -2.464 2.700 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.641 -2.687 4.913 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.592 -0.136 1.457 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.167 -2.561 5.040 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.119 -0.011 1.584 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.906 -1.221 3.377 1.00 10.00 H new ATOM 1373 N THR B 39 22.236 -1.087 3.921 1.00 10.00 N ATOM 1374 CA THR B 39 23.662 -1.528 3.953 1.00 10.00 C ATOM 1375 C THR B 39 24.112 -1.730 5.402 1.00 10.00 C ATOM 1376 O THR B 39 24.739 -2.714 5.739 1.00 10.00 O ATOM 1377 CB THR B 39 24.456 -0.392 3.301 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.220 -0.387 1.899 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.949 -0.596 3.566 1.00 10.00 C ATOM 0 H THR B 39 22.054 -0.236 3.389 1.00 10.00 H new ATOM 0 HA THR B 39 23.811 -2.473 3.431 1.00 10.00 H new ATOM 0 HB THR B 39 24.137 0.561 3.724 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.488 0.231 1.693 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.515 0.212 3.102 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.131 -0.596 4.641 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.266 -1.550 3.144 1.00 10.00 H new ATOM 1387 N ARG B 40 23.793 -0.800 6.262 1.00 10.00 N ATOM 1388 CA ARG B 40 24.198 -0.934 7.690 1.00 10.00 C ATOM 1389 C ARG B 40 23.428 -2.080 8.352 1.00 10.00 C ATOM 1390 O ARG B 40 23.911 -2.721 9.264 1.00 10.00 O ATOM 1391 CB ARG B 40 23.830 0.403 8.332 1.00 10.00 C ATOM 1392 CG ARG B 40 25.105 1.123 8.779 1.00 10.00 C ATOM 1393 CD ARG B 40 25.084 2.566 8.269 1.00 10.00 C ATOM 1394 NE ARG B 40 26.408 3.129 8.656 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.569 3.667 9.835 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.890 2.919 10.855 1.00 10.00 N ATOM 1397 NH2 ARG B 40 26.410 4.952 9.994 1.00 10.00 N ATOM 0 H ARG B 40 23.270 0.046 6.037 1.00 10.00 H new ATOM 0 HA ARG B 40 25.259 -1.160 7.800 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.281 1.021 7.621 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.173 0.240 9.186 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.179 1.112 9.866 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.982 0.603 8.394 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.940 2.601 7.189 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.268 3.132 8.718 1.00 10.00 H new ATOM 0 HE ARG B 40 27.188 3.094 8.000 1.00 10.00 H new ATOM 0 HH11 ARG B 40 27.015 1.914 10.731 1.00 10.00 H new ATOM 0 HH12 ARG B 40 27.016 3.339 11.776 1.00 10.00 H new ATOM 0 HH21 ARG B 40 26.160 5.537 9.197 1.00 10.00 H new ATOM 0 HH22 ARG B 40 26.536 5.371 10.915 1.00 10.00 H new ATOM 1411 N LEU B 41 22.232 -2.343 7.899 1.00 10.00 N ATOM 1412 CA LEU B 41 21.433 -3.448 8.502 1.00 10.00 C ATOM 1413 C LEU B 41 21.932 -4.802 7.988 1.00 10.00 C ATOM 1414 O LEU B 41 21.818 -5.811 8.655 1.00 10.00 O ATOM 1415 CB LEU B 41 19.998 -3.196 8.040 1.00 10.00 C ATOM 1416 CG LEU B 41 19.108 -2.931 9.255 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.671 -2.687 8.792 1.00 10.00 C ATOM 1418 CD2 LEU B 41 19.143 -4.145 10.187 1.00 10.00 C ATOM 0 H LEU B 41 21.774 -1.841 7.138 1.00 10.00 H new ATOM 0 HA LEU B 41 21.514 -3.471 9.589 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.968 -2.343 7.361 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.627 -4.058 7.486 1.00 10.00 H new ATOM 0 HG LEU B 41 19.473 -2.052 9.787 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.037 -2.498 9.658 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.644 -1.823 8.128 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.306 -3.565 8.260 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.509 -3.957 11.053 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.778 -5.023 9.654 1.00 10.00 H new ATOM 0 HD23 LEU B 41 20.167 -4.320 10.518 1.00 10.00 H new ATOM 1430 N ARG B 42 22.487 -4.828 6.808 1.00 10.00 N ATOM 1431 CA ARG B 42 22.997 -6.112 6.249 1.00 10.00 C ATOM 1432 C ARG B 42 24.212 -6.582 7.056 1.00 10.00 C ATOM 1433 O ARG B 42 24.323 -7.738 7.416 1.00 10.00 O ATOM 1434 CB ARG B 42 23.370 -5.775 4.797 1.00 10.00 C ATOM 1435 CG ARG B 42 24.722 -6.393 4.422 1.00 10.00 C ATOM 1436 CD ARG B 42 24.499 -7.752 3.758 1.00 10.00 C ATOM 1437 NE ARG B 42 25.288 -7.697 2.496 1.00 10.00 N ATOM 1438 CZ ARG B 42 26.447 -8.292 2.423 1.00 10.00 C ATOM 1439 NH1 ARG B 42 27.452 -7.853 3.131 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.602 -9.325 1.641 1.00 10.00 N ATOM 0 H ARG B 42 22.610 -4.014 6.205 1.00 10.00 H new ATOM 0 HA ARG B 42 22.270 -6.923 6.294 1.00 10.00 H new ATOM 0 HB2 ARG B 42 22.597 -6.145 4.123 1.00 10.00 H new ATOM 0 HB3 ARG B 42 23.412 -4.693 4.670 1.00 10.00 H new ATOM 0 HG2 ARG B 42 25.261 -5.730 3.745 1.00 10.00 H new ATOM 0 HG3 ARG B 42 25.340 -6.509 5.313 1.00 10.00 H new ATOM 0 HD2 ARG B 42 24.837 -8.565 4.400 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.442 -7.924 3.556 1.00 10.00 H new ATOM 0 HE ARG B 42 24.922 -7.194 1.688 1.00 10.00 H new ATOM 0 HH11 ARG B 42 27.331 -7.045 3.741 1.00 10.00 H new ATOM 0 HH12 ARG B 42 28.358 -8.318 3.074 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.817 -9.667 1.087 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.508 -9.790 1.584 1.00 10.00 H new