USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 427 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 20 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -71:sc= 0.982 USER MOD Single : A 26 ASN : amide:sc= 0.607 K(o=0.61,f=-0.0033) USER MOD Single : A 27 SER OG : rot 150:sc= 0.0816 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 31 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 36 MET CE :methyl -173:sc= -0.376 (180deg=-0.501) USER MOD Single : A 38 SER OG : rot 78:sc= 1.21 USER MOD Single : A 39 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -30:sc= 0.206 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.947 K(o=0.95,f=-3.8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.223 2.864 -1.484 1.00 0.00 N ATOM 197 CA GLU A 13 13.816 2.876 -2.828 1.00 0.00 C ATOM 198 C GLU A 13 13.967 4.306 -3.382 1.00 0.00 C ATOM 199 O GLU A 13 15.017 4.644 -3.929 1.00 0.00 O ATOM 200 CB GLU A 13 12.965 1.989 -3.752 1.00 0.00 C ATOM 201 CG GLU A 13 13.595 1.814 -5.136 1.00 0.00 C ATOM 202 CD GLU A 13 12.817 0.768 -5.959 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.802 1.126 -6.603 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.225 -0.419 -5.976 1.00 0.00 O ATOM 0 HA GLU A 13 14.827 2.472 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.832 1.011 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.973 2.428 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.600 2.768 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.634 1.502 -5.032 1.00 0.00 H new ATOM 211 N VAL A 14 12.964 5.168 -3.183 1.00 0.00 N ATOM 212 CA VAL A 14 13.004 6.579 -3.606 1.00 0.00 C ATOM 213 C VAL A 14 14.037 7.386 -2.816 1.00 0.00 C ATOM 214 O VAL A 14 14.837 8.110 -3.412 1.00 0.00 O ATOM 215 CB VAL A 14 11.602 7.208 -3.482 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.600 8.729 -3.684 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.642 6.610 -4.516 1.00 0.00 C ATOM 0 H VAL A 14 12.093 4.907 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 14 13.313 6.605 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 14 11.279 6.987 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.583 9.108 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.237 9.197 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.979 8.964 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.659 7.070 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.024 6.800 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.559 5.535 -4.357 1.00 0.00 H new ATOM 227 N ASP A 15 14.058 7.271 -1.488 1.00 0.00 N ATOM 228 CA ASP A 15 15.004 8.011 -0.647 1.00 0.00 C ATOM 229 C ASP A 15 16.456 7.530 -0.836 1.00 0.00 C ATOM 230 O ASP A 15 17.385 8.337 -0.907 1.00 0.00 O ATOM 231 CB ASP A 15 14.550 7.911 0.812 1.00 0.00 C ATOM 232 CG ASP A 15 15.328 8.906 1.685 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.198 10.130 1.449 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.046 8.472 2.616 1.00 0.00 O ATOM 0 H ASP A 15 13.424 6.666 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 15 15.003 9.058 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.481 8.115 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.706 6.897 1.179 1.00 0.00 H new ATOM 239 N GLU A 16 16.650 6.220 -1.021 1.00 0.00 N ATOM 240 CA GLU A 16 17.931 5.633 -1.423 1.00 0.00 C ATOM 241 C GLU A 16 18.385 6.125 -2.804 1.00 0.00 C ATOM 242 O GLU A 16 19.558 6.459 -2.969 1.00 0.00 O ATOM 243 CB GLU A 16 17.809 4.104 -1.415 1.00 0.00 C ATOM 244 CG GLU A 16 19.101 3.404 -1.852 1.00 0.00 C ATOM 245 CD GLU A 16 18.998 1.885 -1.618 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.924 1.458 -0.440 1.00 0.00 O ATOM 247 OE2 GLU A 16 18.998 1.114 -2.608 1.00 0.00 O ATOM 0 H GLU A 16 15.911 5.529 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 16 18.690 5.951 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.541 3.770 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.997 3.805 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.291 3.603 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.946 3.807 -1.294 1.00 0.00 H new ATOM 254 N ALA A 17 17.479 6.222 -3.783 1.00 0.00 N ATOM 255 CA ALA A 17 17.820 6.765 -5.094 1.00 0.00 C ATOM 256 C ALA A 17 18.228 8.251 -5.005 1.00 0.00 C ATOM 257 O ALA A 17 19.197 8.662 -5.645 1.00 0.00 O ATOM 258 CB ALA A 17 16.646 6.548 -6.059 1.00 0.00 C ATOM 0 H ALA A 17 16.506 5.931 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 17 18.689 6.233 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.900 6.953 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.442 5.481 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.761 7.055 -5.675 1.00 0.00 H new ATOM 264 N ILE A 18 17.552 9.039 -4.156 1.00 0.00 N ATOM 265 CA ILE A 18 17.938 10.425 -3.844 1.00 0.00 C ATOM 266 C ILE A 18 19.359 10.488 -3.251 1.00 0.00 C ATOM 267 O ILE A 18 20.175 11.265 -3.743 1.00 0.00 O ATOM 268 CB ILE A 18 16.865 11.088 -2.945 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.635 11.448 -3.813 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.389 12.328 -2.193 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.373 11.784 -3.009 1.00 0.00 C ATOM 0 H ILE A 18 16.715 8.730 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 18 17.978 11.004 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 18 16.584 10.370 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.887 12.300 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.417 10.612 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.590 12.747 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.223 12.040 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.724 13.075 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.559 12.024 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.092 10.926 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.570 12.640 -2.364 1.00 0.00 H new ATOM 283 N ASP A 19 19.703 9.653 -2.267 1.00 0.00 N ATOM 284 CA ASP A 19 21.069 9.590 -1.721 1.00 0.00 C ATOM 285 C ASP A 19 22.113 9.069 -2.725 1.00 0.00 C ATOM 286 O ASP A 19 23.239 9.568 -2.751 1.00 0.00 O ATOM 287 CB ASP A 19 21.095 8.744 -0.442 1.00 0.00 C ATOM 288 CG ASP A 19 20.613 9.543 0.776 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.212 10.598 1.085 1.00 0.00 O ATOM 290 OD2 ASP A 19 19.628 9.146 1.440 1.00 0.00 O ATOM 0 H ASP A 19 19.051 9.004 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 19 21.351 10.618 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.464 7.865 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 19 22.108 8.385 -0.264 1.00 0.00 H new ATOM 295 N ASN A 20 21.754 8.120 -3.596 1.00 0.00 N ATOM 296 CA ASN A 20 22.638 7.634 -4.658 1.00 0.00 C ATOM 297 C ASN A 20 22.968 8.757 -5.659 1.00 0.00 C ATOM 298 O ASN A 20 24.135 8.974 -5.984 1.00 0.00 O ATOM 299 CB ASN A 20 21.971 6.418 -5.332 1.00 0.00 C ATOM 300 CG ASN A 20 22.874 5.696 -6.328 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.088 5.831 -6.341 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.306 4.879 -7.188 1.00 0.00 N ATOM 0 H ASN A 20 20.840 7.667 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 20 23.593 7.318 -4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.658 5.713 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.069 6.749 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.878 4.365 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.293 4.759 -7.185 1.00 0.00 H new ATOM 309 N ILE A 21 21.965 9.541 -6.073 1.00 0.00 N ATOM 310 CA ILE A 21 22.155 10.732 -6.921 1.00 0.00 C ATOM 311 C ILE A 21 22.984 11.799 -6.199 1.00 0.00 C ATOM 312 O ILE A 21 23.914 12.353 -6.784 1.00 0.00 O ATOM 313 CB ILE A 21 20.783 11.279 -7.381 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.154 10.320 -8.420 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.937 12.688 -7.982 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.636 10.508 -8.565 1.00 0.00 C ATOM 0 H ILE A 21 20.990 9.368 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 21 22.718 10.445 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 21 20.125 11.345 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.629 10.479 -9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.361 9.290 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.962 13.057 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.352 13.360 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.607 12.646 -8.841 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.252 9.808 -9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.153 10.321 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.425 11.528 -8.885 1.00 0.00 H new ATOM 328 N LEU A 22 22.701 12.054 -4.922 1.00 0.00 N ATOM 329 CA LEU A 22 23.445 13.016 -4.102 1.00 0.00 C ATOM 330 C LEU A 22 24.945 12.666 -4.016 1.00 0.00 C ATOM 331 O LEU A 22 25.799 13.539 -4.194 1.00 0.00 O ATOM 332 CB LEU A 22 22.767 13.038 -2.720 1.00 0.00 C ATOM 333 CG LEU A 22 23.291 14.092 -1.740 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.901 15.502 -2.183 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.703 13.834 -0.353 1.00 0.00 C ATOM 0 H LEU A 22 21.941 11.595 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 22 23.417 14.008 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.699 13.200 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.882 12.055 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 22 24.378 14.019 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.287 16.228 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.322 15.704 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.815 15.581 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.075 14.584 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.616 13.892 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.998 12.842 -0.012 1.00 0.00 H new ATOM 347 N ARG A 23 25.268 11.377 -3.821 1.00 0.00 N ATOM 348 CA ARG A 23 26.651 10.863 -3.815 1.00 0.00 C ATOM 349 C ARG A 23 27.302 10.921 -5.204 1.00 0.00 C ATOM 350 O ARG A 23 28.417 11.421 -5.335 1.00 0.00 O ATOM 351 CB ARG A 23 26.645 9.436 -3.227 1.00 0.00 C ATOM 352 CG ARG A 23 28.061 8.866 -3.043 1.00 0.00 C ATOM 353 CD ARG A 23 28.019 7.485 -2.380 1.00 0.00 C ATOM 354 NE ARG A 23 29.378 6.934 -2.214 1.00 0.00 N ATOM 355 CZ ARG A 23 29.698 5.768 -1.677 1.00 0.00 C ATOM 356 NH1 ARG A 23 28.798 4.943 -1.215 1.00 0.00 N ATOM 357 NH2 ARG A 23 30.946 5.407 -1.592 1.00 0.00 N ATOM 0 H ARG A 23 24.569 10.652 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 23 27.267 11.505 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.133 9.446 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.075 8.779 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.555 8.793 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.654 9.548 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.532 7.560 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.419 6.806 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 23 30.150 7.511 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.809 5.189 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.084 4.052 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 23 31.680 6.024 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.190 4.507 -1.177 1.00 0.00 H new ATOM 371 N TYR A 24 26.595 10.464 -6.240 1.00 0.00 N ATOM 372 CA TYR A 24 27.088 10.432 -7.628 1.00 0.00 C ATOM 373 C TYR A 24 27.398 11.830 -8.195 1.00 0.00 C ATOM 374 O TYR A 24 28.423 12.025 -8.847 1.00 0.00 O ATOM 375 CB TYR A 24 26.032 9.713 -8.487 1.00 0.00 C ATOM 376 CG TYR A 24 26.290 9.733 -9.983 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.415 9.073 -10.516 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.398 10.407 -10.843 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.658 9.091 -11.903 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.634 10.419 -12.231 1.00 0.00 C ATOM 381 CZ TYR A 24 26.766 9.766 -12.765 1.00 0.00 C ATOM 382 OH TYR A 24 26.985 9.790 -14.110 1.00 0.00 O ATOM 0 H TYR A 24 25.648 10.099 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 24 28.037 9.896 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.967 8.675 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.061 10.169 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.094 8.551 -9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.535 10.913 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.525 8.589 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.947 10.929 -12.889 1.00 0.00 H new ATOM 0 HH TYR A 24 26.271 10.298 -14.549 1.00 0.00 H new ATOM 392 N THR A 25 26.542 12.820 -7.909 1.00 0.00 N ATOM 393 CA THR A 25 26.712 14.207 -8.391 1.00 0.00 C ATOM 394 C THR A 25 27.633 15.063 -7.509 1.00 0.00 C ATOM 395 O THR A 25 28.036 16.145 -7.934 1.00 0.00 O ATOM 396 CB THR A 25 25.366 14.911 -8.593 1.00 0.00 C ATOM 397 OG1 THR A 25 24.668 15.012 -7.375 1.00 0.00 O ATOM 398 CG2 THR A 25 24.476 14.189 -9.610 1.00 0.00 C ATOM 0 H THR A 25 25.709 12.687 -7.336 1.00 0.00 H new ATOM 0 HA THR A 25 27.207 14.108 -9.357 1.00 0.00 H new ATOM 0 HB THR A 25 25.595 15.904 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.353 14.125 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.535 14.728 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.983 14.150 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.276 13.175 -9.264 1.00 0.00 H new ATOM 406 N ASN A 26 27.996 14.577 -6.310 1.00 0.00 N ATOM 407 CA ASN A 26 28.957 15.203 -5.390 1.00 0.00 C ATOM 408 C ASN A 26 28.635 16.689 -5.095 1.00 0.00 C ATOM 409 O ASN A 26 29.518 17.549 -5.073 1.00 0.00 O ATOM 410 CB ASN A 26 30.391 14.889 -5.872 1.00 0.00 C ATOM 411 CG ASN A 26 31.445 14.958 -4.771 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.982 13.951 -4.335 1.00 0.00 O ATOM 413 ND2 ASN A 26 31.780 16.132 -4.291 1.00 0.00 N ATOM 0 H ASN A 26 27.614 13.706 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 26 28.868 14.764 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.405 13.892 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.659 15.590 -6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.486 16.201 -3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.335 16.976 -4.651 1.00 0.00 H new ATOM 420 N SER A 27 27.345 16.976 -4.908 1.00 0.00 N ATOM 421 CA SER A 27 26.820 18.314 -4.579 1.00 0.00 C ATOM 422 C SER A 27 25.841 18.272 -3.387 1.00 0.00 C ATOM 423 O SER A 27 25.673 17.225 -2.756 1.00 0.00 O ATOM 424 CB SER A 27 26.193 18.925 -5.837 1.00 0.00 C ATOM 425 OG SER A 27 26.035 20.325 -5.671 1.00 0.00 O ATOM 0 H SER A 27 26.613 16.270 -4.982 1.00 0.00 H new ATOM 0 HA SER A 27 27.641 18.954 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 27 26.824 18.722 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.226 18.462 -6.032 1.00 0.00 H new ATOM 0 HG SER A 27 26.106 20.768 -6.542 1.00 0.00 H new ATOM 431 N THR A 28 25.231 19.409 -3.037 1.00 0.00 N ATOM 432 CA THR A 28 24.329 19.529 -1.872 1.00 0.00 C ATOM 433 C THR A 28 22.890 19.123 -2.199 1.00 0.00 C ATOM 434 O THR A 28 22.464 19.126 -3.355 1.00 0.00 O ATOM 435 CB THR A 28 24.357 20.939 -1.254 1.00 0.00 C ATOM 436 OG1 THR A 28 23.720 21.859 -2.105 1.00 0.00 O ATOM 437 CG2 THR A 28 25.771 21.454 -0.998 1.00 0.00 C ATOM 0 H THR A 28 25.346 20.281 -3.553 1.00 0.00 H new ATOM 0 HA THR A 28 24.713 18.827 -1.132 1.00 0.00 H new ATOM 0 HB THR A 28 23.839 20.852 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.744 22.751 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.721 22.452 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.284 20.782 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.319 21.496 -1.939 1.00 0.00 H new ATOM 445 N GLU A 29 22.095 18.820 -1.166 1.00 0.00 N ATOM 446 CA GLU A 29 20.665 18.499 -1.334 1.00 0.00 C ATOM 447 C GLU A 29 19.878 19.714 -1.854 1.00 0.00 C ATOM 448 O GLU A 29 18.981 19.563 -2.680 1.00 0.00 O ATOM 449 CB GLU A 29 20.078 18.009 0.001 1.00 0.00 C ATOM 450 CG GLU A 29 20.794 16.780 0.572 1.00 0.00 C ATOM 451 CD GLU A 29 20.162 16.340 1.904 1.00 0.00 C ATOM 452 OE1 GLU A 29 20.423 16.982 2.951 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.415 15.333 1.909 1.00 0.00 O ATOM 0 H GLU A 29 22.416 18.789 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 29 20.577 17.705 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.127 18.819 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.024 17.772 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.745 15.961 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.849 17.008 0.724 1.00 0.00 H new ATOM 460 N GLN A 30 20.276 20.928 -1.447 1.00 0.00 N ATOM 461 CA GLN A 30 19.726 22.175 -1.995 1.00 0.00 C ATOM 462 C GLN A 30 20.070 22.331 -3.480 1.00 0.00 C ATOM 463 O GLN A 30 19.165 22.560 -4.277 1.00 0.00 O ATOM 464 CB GLN A 30 20.219 23.383 -1.180 1.00 0.00 C ATOM 465 CG GLN A 30 19.632 23.410 0.245 1.00 0.00 C ATOM 466 CD GLN A 30 20.072 24.623 1.075 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.846 25.479 0.662 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.590 24.748 2.295 1.00 0.00 N ATOM 0 H GLN A 30 20.987 21.072 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 30 18.640 22.130 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.307 23.358 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.948 24.303 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.544 23.402 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.927 22.499 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.944 24.049 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.863 25.544 2.872 1.00 0.00 H new ATOM 477 N GLN A 31 21.325 22.106 -3.888 1.00 0.00 N ATOM 478 CA GLN A 31 21.718 22.176 -5.303 1.00 0.00 C ATOM 479 C GLN A 31 21.032 21.099 -6.162 1.00 0.00 C ATOM 480 O GLN A 31 20.689 21.375 -7.311 1.00 0.00 O ATOM 481 CB GLN A 31 23.243 22.100 -5.424 1.00 0.00 C ATOM 482 CG GLN A 31 23.958 23.391 -4.997 1.00 0.00 C ATOM 483 CD GLN A 31 23.941 24.453 -6.099 1.00 0.00 C ATOM 484 OE1 GLN A 31 24.843 24.548 -6.923 1.00 0.00 O ATOM 485 NE2 GLN A 31 22.929 25.289 -6.183 1.00 0.00 N ATOM 0 H GLN A 31 22.090 21.873 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 31 21.378 23.135 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.607 21.274 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.506 21.873 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.480 23.790 -4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.990 23.162 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 31 22.164 25.233 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 31 22.909 25.993 -6.921 1.00 0.00 H new ATOM 494 N PHE A 32 20.742 19.912 -5.612 1.00 0.00 N ATOM 495 CA PHE A 32 19.927 18.899 -6.294 1.00 0.00 C ATOM 496 C PHE A 32 18.458 19.337 -6.436 1.00 0.00 C ATOM 497 O PHE A 32 17.905 19.241 -7.532 1.00 0.00 O ATOM 498 CB PHE A 32 20.106 17.546 -5.578 1.00 0.00 C ATOM 499 CG PHE A 32 19.369 16.333 -6.139 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.945 16.266 -7.483 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.130 15.234 -5.291 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.227 15.148 -7.948 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.426 14.111 -5.763 1.00 0.00 C ATOM 504 CZ PHE A 32 17.954 14.076 -7.083 1.00 0.00 C ATOM 0 H PHE A 32 21.064 19.629 -4.687 1.00 0.00 H new ATOM 0 HA PHE A 32 20.274 18.781 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.171 17.313 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.796 17.674 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.173 17.077 -8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.489 15.253 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.885 15.115 -8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.248 13.272 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.383 13.229 -7.433 1.00 0.00 H new ATOM 514 N LEU A 33 17.843 19.901 -5.389 1.00 0.00 N ATOM 515 CA LEU A 33 16.484 20.468 -5.461 1.00 0.00 C ATOM 516 C LEU A 33 16.410 21.623 -6.476 1.00 0.00 C ATOM 517 O LEU A 33 15.504 21.663 -7.305 1.00 0.00 O ATOM 518 CB LEU A 33 16.049 20.854 -4.027 1.00 0.00 C ATOM 519 CG LEU A 33 14.622 21.399 -3.786 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.440 22.850 -4.232 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.536 20.546 -4.447 1.00 0.00 C ATOM 0 H LEU A 33 18.271 19.979 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 33 15.775 19.732 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.172 19.971 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.751 21.604 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 33 14.506 21.350 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.416 23.166 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.130 23.489 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.644 22.931 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.557 20.980 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.701 20.517 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.575 19.533 -4.047 1.00 0.00 H new ATOM 533 N GLU A 34 17.401 22.511 -6.473 1.00 0.00 N ATOM 534 CA GLU A 34 17.515 23.629 -7.422 1.00 0.00 C ATOM 535 C GLU A 34 17.692 23.162 -8.872 1.00 0.00 C ATOM 536 O GLU A 34 17.040 23.695 -9.772 1.00 0.00 O ATOM 537 CB GLU A 34 18.692 24.534 -7.011 1.00 0.00 C ATOM 538 CG GLU A 34 18.398 25.399 -5.779 1.00 0.00 C ATOM 539 CD GLU A 34 19.660 26.181 -5.358 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.570 25.595 -4.724 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.756 27.392 -5.677 1.00 0.00 O ATOM 0 H GLU A 34 18.166 22.478 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 34 16.579 24.186 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.564 23.913 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.950 25.183 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.588 26.094 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.061 24.769 -4.956 1.00 0.00 H new ATOM 548 N ALA A 35 18.511 22.138 -9.109 1.00 0.00 N ATOM 549 CA ALA A 35 18.693 21.547 -10.438 1.00 0.00 C ATOM 550 C ALA A 35 17.419 20.844 -10.934 1.00 0.00 C ATOM 551 O ALA A 35 17.043 20.989 -12.096 1.00 0.00 O ATOM 552 CB ALA A 35 19.893 20.590 -10.398 1.00 0.00 C ATOM 0 H ALA A 35 19.070 21.692 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 35 18.894 22.343 -11.155 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.037 20.145 -11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.789 21.142 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.706 19.803 -9.668 1.00 0.00 H new ATOM 558 N MET A 36 16.703 20.141 -10.052 1.00 0.00 N ATOM 559 CA MET A 36 15.405 19.521 -10.363 1.00 0.00 C ATOM 560 C MET A 36 14.319 20.567 -10.655 1.00 0.00 C ATOM 561 O MET A 36 13.592 20.428 -11.633 1.00 0.00 O ATOM 562 CB MET A 36 15.002 18.605 -9.198 1.00 0.00 C ATOM 563 CG MET A 36 15.802 17.297 -9.193 1.00 0.00 C ATOM 564 SD MET A 36 15.258 16.074 -10.415 1.00 0.00 S ATOM 565 CE MET A 36 13.736 15.497 -9.619 1.00 0.00 C ATOM 0 H MET A 36 17.008 19.983 -9.092 1.00 0.00 H new ATOM 0 HA MET A 36 15.507 18.930 -11.273 1.00 0.00 H new ATOM 0 HB2 MET A 36 15.157 19.129 -8.255 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.938 18.379 -9.266 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.852 17.528 -9.373 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.739 16.852 -8.200 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.333 14.650 -10.175 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.954 15.189 -8.596 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.004 16.304 -9.606 1.00 0.00 H new ATOM 575 N GLU A 37 14.244 21.649 -9.879 1.00 0.00 N ATOM 576 CA GLU A 37 13.310 22.757 -10.124 1.00 0.00 C ATOM 577 C GLU A 37 13.632 23.501 -11.437 1.00 0.00 C ATOM 578 O GLU A 37 12.721 23.833 -12.202 1.00 0.00 O ATOM 579 CB GLU A 37 13.339 23.701 -8.908 1.00 0.00 C ATOM 580 CG GLU A 37 12.309 24.833 -9.000 1.00 0.00 C ATOM 581 CD GLU A 37 12.281 25.664 -7.702 1.00 0.00 C ATOM 582 OE1 GLU A 37 13.111 26.595 -7.554 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.419 25.407 -6.827 1.00 0.00 O ATOM 0 H GLU A 37 14.832 21.785 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 37 12.303 22.359 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.155 23.123 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.336 24.132 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.549 25.479 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.320 24.415 -9.189 1.00 0.00 H new ATOM 590 N SER A 38 14.921 23.689 -11.744 1.00 0.00 N ATOM 591 CA SER A 38 15.381 24.342 -12.987 1.00 0.00 C ATOM 592 C SER A 38 15.144 23.500 -14.251 1.00 0.00 C ATOM 593 O SER A 38 15.121 24.051 -15.353 1.00 0.00 O ATOM 594 CB SER A 38 16.879 24.675 -12.891 1.00 0.00 C ATOM 595 OG SER A 38 17.153 25.538 -11.797 1.00 0.00 O ATOM 0 H SER A 38 15.684 23.392 -11.136 1.00 0.00 H new ATOM 0 HA SER A 38 14.784 25.249 -13.083 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.451 23.754 -12.781 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.208 25.145 -13.818 1.00 0.00 H new ATOM 0 HG SER A 38 17.148 25.022 -10.964 1.00 0.00 H new ATOM 601 N THR A 39 14.972 22.177 -14.109 1.00 0.00 N ATOM 602 CA THR A 39 14.795 21.231 -15.233 1.00 0.00 C ATOM 603 C THR A 39 13.405 20.577 -15.290 1.00 0.00 C ATOM 604 O THR A 39 13.154 19.736 -16.155 1.00 0.00 O ATOM 605 CB THR A 39 15.902 20.163 -15.237 1.00 0.00 C ATOM 606 OG1 THR A 39 15.892 19.460 -14.021 1.00 0.00 O ATOM 607 CG2 THR A 39 17.297 20.762 -15.410 1.00 0.00 C ATOM 0 H THR A 39 14.951 21.722 -13.196 1.00 0.00 H new ATOM 0 HA THR A 39 14.877 21.834 -16.137 1.00 0.00 H new ATOM 0 HB THR A 39 15.694 19.507 -16.082 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.419 19.950 -13.355 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.039 19.964 -15.406 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.347 21.299 -16.357 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.501 21.451 -14.591 1.00 0.00 H new ATOM 615 N GLY A 40 12.485 20.961 -14.398 1.00 0.00 N ATOM 616 CA GLY A 40 11.091 20.489 -14.405 1.00 0.00 C ATOM 617 C GLY A 40 10.906 19.062 -13.875 1.00 0.00 C ATOM 618 O GLY A 40 9.960 18.378 -14.266 1.00 0.00 O ATOM 0 H GLY A 40 12.687 21.615 -13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.486 21.169 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.708 20.538 -15.424 1.00 0.00 H new ATOM 622 N GLY A 41 11.815 18.600 -13.005 1.00 0.00 N ATOM 623 CA GLY A 41 11.753 17.269 -12.384 1.00 0.00 C ATOM 624 C GLY A 41 12.271 16.108 -13.244 1.00 0.00 C ATOM 625 O GLY A 41 12.120 14.951 -12.853 1.00 0.00 O ATOM 0 H GLY A 41 12.624 19.147 -12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.326 17.294 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.718 17.063 -12.113 1.00 0.00 H new ATOM 629 N ARG A 42 12.902 16.384 -14.397 1.00 0.00 N ATOM 630 CA ARG A 42 13.550 15.358 -15.236 1.00 0.00 C ATOM 631 C ARG A 42 14.904 14.980 -14.637 1.00 0.00 C ATOM 632 O ARG A 42 15.892 15.671 -14.863 1.00 0.00 O ATOM 633 CB ARG A 42 13.679 15.873 -16.687 1.00 0.00 C ATOM 634 CG ARG A 42 12.454 15.543 -17.554 1.00 0.00 C ATOM 635 CD ARG A 42 12.458 14.077 -18.026 1.00 0.00 C ATOM 636 NE ARG A 42 11.360 13.834 -18.987 1.00 0.00 N ATOM 637 CZ ARG A 42 11.008 12.684 -19.534 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.621 11.564 -19.269 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.017 12.634 -20.376 1.00 0.00 N ATOM 0 H ARG A 42 12.978 17.328 -14.776 1.00 0.00 H new ATOM 0 HA ARG A 42 12.938 14.456 -15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.825 16.953 -16.671 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.568 15.437 -17.143 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.545 15.738 -16.986 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.436 16.203 -18.421 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.415 13.843 -18.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.351 13.413 -17.168 1.00 0.00 H new ATOM 0 HE ARG A 42 10.811 14.649 -19.259 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.405 11.554 -18.617 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.316 10.698 -19.714 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.508 13.485 -20.616 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.749 11.744 -20.796 1.00 0.00 H new ATOM 653 N VAL A 43 14.958 13.858 -13.918 1.00 0.00 N ATOM 654 CA VAL A 43 16.146 13.434 -13.140 1.00 0.00 C ATOM 655 C VAL A 43 17.406 13.374 -14.009 1.00 0.00 C ATOM 656 O VAL A 43 18.433 13.905 -13.602 1.00 0.00 O ATOM 657 CB VAL A 43 15.883 12.098 -12.409 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.099 11.627 -11.602 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.720 12.236 -11.415 1.00 0.00 C ATOM 0 H VAL A 43 14.177 13.205 -13.852 1.00 0.00 H new ATOM 0 HA VAL A 43 16.329 14.193 -12.379 1.00 0.00 H new ATOM 0 HB VAL A 43 15.653 11.375 -13.191 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.864 10.685 -11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.947 11.484 -12.272 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.351 12.377 -10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.555 11.282 -10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.963 12.998 -10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.816 12.526 -11.951 1.00 0.00 H new ATOM 669 N ARG A 44 17.327 12.853 -15.244 1.00 0.00 N ATOM 670 CA ARG A 44 18.488 12.790 -16.162 1.00 0.00 C ATOM 671 C ARG A 44 19.059 14.172 -16.519 1.00 0.00 C ATOM 672 O ARG A 44 20.268 14.379 -16.470 1.00 0.00 O ATOM 673 CB ARG A 44 18.145 11.925 -17.398 1.00 0.00 C ATOM 674 CG ARG A 44 17.086 12.498 -18.367 1.00 0.00 C ATOM 675 CD ARG A 44 16.760 11.511 -19.501 1.00 0.00 C ATOM 676 NE ARG A 44 17.916 11.294 -20.401 1.00 0.00 N ATOM 677 CZ ARG A 44 18.034 10.355 -21.328 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.091 9.484 -21.555 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.115 10.278 -22.052 1.00 0.00 N ATOM 0 H ARG A 44 16.469 12.466 -15.636 1.00 0.00 H new ATOM 0 HA ARG A 44 19.304 12.298 -15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 44 19.063 11.752 -17.959 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.797 10.953 -17.048 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.176 12.731 -17.815 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.450 13.433 -18.792 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.450 10.557 -19.073 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.917 11.890 -20.079 1.00 0.00 H new ATOM 0 HE ARG A 44 18.703 11.934 -20.296 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.229 9.512 -21.011 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.215 8.774 -22.277 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.875 10.943 -21.906 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.201 9.553 -22.764 1.00 0.00 H new ATOM 693 N ILE A 45 18.179 15.146 -16.772 1.00 0.00 N ATOM 694 CA ILE A 45 18.574 16.530 -17.116 1.00 0.00 C ATOM 695 C ILE A 45 19.080 17.253 -15.859 1.00 0.00 C ATOM 696 O ILE A 45 20.067 17.978 -15.920 1.00 0.00 O ATOM 697 CB ILE A 45 17.419 17.300 -17.811 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.810 16.494 -18.986 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.927 18.657 -18.339 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.651 17.186 -19.718 1.00 0.00 C ATOM 0 H ILE A 45 17.169 15.004 -16.746 1.00 0.00 H new ATOM 0 HA ILE A 45 19.390 16.492 -17.838 1.00 0.00 H new ATOM 0 HB ILE A 45 16.641 17.456 -17.064 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.599 16.280 -19.707 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.458 15.535 -18.605 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.108 19.188 -18.824 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.304 19.253 -17.508 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.729 18.490 -19.059 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.293 16.543 -20.522 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.839 17.375 -19.016 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.997 18.131 -20.136 1.00 0.00 H new ATOM 712 N ALA A 46 18.465 16.997 -14.702 1.00 0.00 N ATOM 713 CA ALA A 46 18.879 17.569 -13.418 1.00 0.00 C ATOM 714 C ALA A 46 20.289 17.115 -13.019 1.00 0.00 C ATOM 715 O ALA A 46 21.141 17.953 -12.732 1.00 0.00 O ATOM 716 CB ALA A 46 17.847 17.190 -12.349 1.00 0.00 C ATOM 0 H ALA A 46 17.656 16.380 -14.629 1.00 0.00 H new ATOM 0 HA ALA A 46 18.921 18.654 -13.512 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.146 17.611 -11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.870 17.584 -12.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.790 16.105 -12.267 1.00 0.00 H new ATOM 722 N ILE A 47 20.574 15.807 -13.067 1.00 0.00 N ATOM 723 CA ILE A 47 21.915 15.285 -12.750 1.00 0.00 C ATOM 724 C ILE A 47 22.937 15.698 -13.817 1.00 0.00 C ATOM 725 O ILE A 47 24.052 16.061 -13.455 1.00 0.00 O ATOM 726 CB ILE A 47 21.916 13.765 -12.448 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.661 12.894 -13.695 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.927 13.474 -11.307 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.576 11.390 -13.420 1.00 0.00 C ATOM 0 H ILE A 47 19.896 15.089 -13.322 1.00 0.00 H new ATOM 0 HA ILE A 47 22.232 15.751 -11.817 1.00 0.00 H new ATOM 0 HB ILE A 47 22.918 13.484 -12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.731 13.217 -14.163 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.459 13.073 -14.416 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.925 12.406 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.228 14.024 -10.415 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.926 13.786 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.395 10.859 -14.354 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.514 11.046 -12.983 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.759 11.193 -12.726 1.00 0.00 H new ATOM 741 N ALA A 48 22.557 15.773 -15.100 1.00 0.00 N ATOM 742 CA ALA A 48 23.412 16.325 -16.155 1.00 0.00 C ATOM 743 C ALA A 48 23.791 17.800 -15.908 1.00 0.00 C ATOM 744 O ALA A 48 24.968 18.156 -15.975 1.00 0.00 O ATOM 745 CB ALA A 48 22.681 16.146 -17.493 1.00 0.00 C ATOM 0 H ALA A 48 21.648 15.452 -15.434 1.00 0.00 H new ATOM 0 HA ALA A 48 24.359 15.786 -16.165 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.294 16.548 -18.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.500 15.086 -17.670 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.729 16.677 -17.462 1.00 0.00 H new ATOM 751 N LYS A 49 22.825 18.652 -15.541 1.00 0.00 N ATOM 752 CA LYS A 49 23.064 20.075 -15.219 1.00 0.00 C ATOM 753 C LYS A 49 23.910 20.239 -13.949 1.00 0.00 C ATOM 754 O LYS A 49 24.836 21.044 -13.916 1.00 0.00 O ATOM 755 CB LYS A 49 21.697 20.787 -15.118 1.00 0.00 C ATOM 756 CG LYS A 49 21.787 22.323 -15.120 1.00 0.00 C ATOM 757 CD LYS A 49 22.164 22.891 -16.502 1.00 0.00 C ATOM 758 CE LYS A 49 22.266 24.423 -16.426 1.00 0.00 C ATOM 759 NZ LYS A 49 22.557 25.023 -17.760 1.00 0.00 N ATOM 0 H LYS A 49 21.847 18.376 -15.457 1.00 0.00 H new ATOM 0 HA LYS A 49 23.647 20.540 -16.014 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.071 20.469 -15.952 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.198 20.464 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.829 22.740 -14.808 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.527 22.641 -14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.114 22.470 -16.831 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.415 22.604 -17.240 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.332 24.831 -16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.051 24.701 -15.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.619 26.057 -17.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.460 24.652 -18.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.795 24.778 -18.424 1.00 0.00 H new ATOM 773 N LEU A 50 23.643 19.414 -12.935 1.00 0.00 N ATOM 774 CA LEU A 50 24.382 19.407 -11.664 1.00 0.00 C ATOM 775 C LEU A 50 25.835 18.914 -11.820 1.00 0.00 C ATOM 776 O LEU A 50 26.736 19.454 -11.184 1.00 0.00 O ATOM 777 CB LEU A 50 23.554 18.558 -10.681 1.00 0.00 C ATOM 778 CG LEU A 50 23.991 18.592 -9.211 1.00 0.00 C ATOM 779 CD1 LEU A 50 23.973 20.003 -8.630 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.999 17.747 -8.413 1.00 0.00 C ATOM 0 H LEU A 50 22.896 18.720 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 50 24.497 20.421 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 50 22.516 18.887 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.578 17.522 -11.020 1.00 0.00 H new ATOM 0 HG LEU A 50 25.012 18.215 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.290 19.971 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.653 20.639 -9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.963 20.408 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.282 17.750 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.997 18.163 -8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.009 16.724 -8.788 1.00 0.00 H new ATOM 792 N LEU A 51 26.083 17.955 -12.721 1.00 0.00 N ATOM 793 CA LEU A 51 27.438 17.538 -13.120 1.00 0.00 C ATOM 794 C LEU A 51 28.148 18.595 -13.985 1.00 0.00 C ATOM 795 O LEU A 51 29.351 18.797 -13.829 1.00 0.00 O ATOM 796 CB LEU A 51 27.362 16.188 -13.861 1.00 0.00 C ATOM 797 CG LEU A 51 27.068 14.982 -12.944 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.729 13.761 -13.797 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.263 14.626 -12.057 1.00 0.00 C ATOM 0 H LEU A 51 25.343 17.441 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 51 28.034 17.427 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.586 16.248 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.306 16.016 -14.378 1.00 0.00 H new ATOM 0 HG LEU A 51 26.231 15.262 -12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.522 12.910 -13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.851 13.975 -14.406 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.572 13.525 -14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.009 13.772 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.119 14.374 -12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.514 15.478 -11.425 1.00 0.00 H new ATOM 1252 N SER A 85 9.553 10.007 -11.592 1.00 0.00 N ATOM 1253 CA SER A 85 10.354 11.246 -11.648 1.00 0.00 C ATOM 1254 C SER A 85 9.756 12.366 -10.780 1.00 0.00 C ATOM 1255 O SER A 85 10.460 13.023 -10.009 1.00 0.00 O ATOM 1256 CB SER A 85 10.456 11.705 -13.111 1.00 0.00 C ATOM 1257 OG SER A 85 9.159 11.768 -13.701 1.00 0.00 O ATOM 0 HA SER A 85 11.345 11.031 -11.247 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.933 12.684 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.086 11.015 -13.673 1.00 0.00 H new ATOM 0 HG SER A 85 8.574 11.105 -13.278 1.00 0.00 H new ATOM 1263 N GLN A 86 8.427 12.518 -10.824 1.00 0.00 N ATOM 1264 CA GLN A 86 7.674 13.424 -9.955 1.00 0.00 C ATOM 1265 C GLN A 86 7.615 12.920 -8.507 1.00 0.00 C ATOM 1266 O GLN A 86 7.637 13.737 -7.592 1.00 0.00 O ATOM 1267 CB GLN A 86 6.268 13.686 -10.526 1.00 0.00 C ATOM 1268 CG GLN A 86 6.306 14.320 -11.929 1.00 0.00 C ATOM 1269 CD GLN A 86 4.920 14.653 -12.491 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.878 14.422 -11.890 1.00 0.00 O ATOM 1271 NE2 GLN A 86 4.855 15.218 -13.680 1.00 0.00 N ATOM 0 H GLN A 86 7.836 12.004 -11.477 1.00 0.00 H new ATOM 0 HA GLN A 86 8.208 14.374 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.718 12.746 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.722 14.343 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.901 15.232 -11.890 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.812 13.638 -12.613 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.711 15.419 -14.197 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.949 15.455 -14.083 1.00 0.00 H new ATOM 1280 N GLN A 87 7.608 11.603 -8.257 1.00 0.00 N ATOM 1281 CA GLN A 87 7.746 11.061 -6.893 1.00 0.00 C ATOM 1282 C GLN A 87 9.125 11.368 -6.281 1.00 0.00 C ATOM 1283 O GLN A 87 9.183 11.783 -5.122 1.00 0.00 O ATOM 1284 CB GLN A 87 7.405 9.557 -6.860 1.00 0.00 C ATOM 1285 CG GLN A 87 7.509 8.993 -5.434 1.00 0.00 C ATOM 1286 CD GLN A 87 6.956 7.578 -5.273 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.138 7.312 -4.403 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.408 6.602 -6.020 1.00 0.00 N ATOM 0 H GLN A 87 7.508 10.891 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 87 7.020 11.571 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.396 9.402 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.082 9.014 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.556 8.998 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.977 9.658 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.091 6.795 -6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.077 5.649 -5.869 1.00 0.00 H new ATOM 1297 N ILE A 88 10.222 11.255 -7.042 1.00 0.00 N ATOM 1298 CA ILE A 88 11.564 11.680 -6.597 1.00 0.00 C ATOM 1299 C ILE A 88 11.571 13.185 -6.327 1.00 0.00 C ATOM 1300 O ILE A 88 12.007 13.596 -5.259 1.00 0.00 O ATOM 1301 CB ILE A 88 12.669 11.237 -7.596 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.181 9.809 -7.306 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.924 12.131 -7.535 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.172 8.679 -7.523 1.00 0.00 C ATOM 0 H ILE A 88 10.208 10.866 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 88 11.800 11.177 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 88 12.183 11.304 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.049 9.620 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.524 9.770 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.661 11.773 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.651 13.158 -7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.349 12.094 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.641 7.723 -7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.311 8.830 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.845 8.678 -8.563 1.00 0.00 H new ATOM 1316 N LEU A 89 11.029 14.006 -7.234 1.00 0.00 N ATOM 1317 CA LEU A 89 10.884 15.458 -7.014 1.00 0.00 C ATOM 1318 C LEU A 89 10.102 15.774 -5.734 1.00 0.00 C ATOM 1319 O LEU A 89 10.553 16.584 -4.934 1.00 0.00 O ATOM 1320 CB LEU A 89 10.204 16.098 -8.246 1.00 0.00 C ATOM 1321 CG LEU A 89 9.895 17.608 -8.135 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.160 18.460 -8.054 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.098 18.065 -9.355 1.00 0.00 C ATOM 0 H LEU A 89 10.679 13.689 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 89 11.879 15.883 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.845 15.940 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.271 15.569 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 89 9.326 17.743 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.886 19.512 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.738 18.171 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.760 18.306 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.883 19.130 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.679 17.882 -10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.162 17.509 -9.407 1.00 0.00 H new ATOM 1335 N ASN A 90 8.965 15.115 -5.512 1.00 0.00 N ATOM 1336 CA ASN A 90 8.137 15.311 -4.322 1.00 0.00 C ATOM 1337 C ASN A 90 8.900 14.945 -3.037 1.00 0.00 C ATOM 1338 O ASN A 90 9.005 15.772 -2.135 1.00 0.00 O ATOM 1339 CB ASN A 90 6.842 14.496 -4.506 1.00 0.00 C ATOM 1340 CG ASN A 90 5.981 14.480 -3.258 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.070 13.569 -2.451 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.155 15.478 -3.047 1.00 0.00 N ATOM 0 H ASN A 90 8.589 14.423 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 90 7.878 16.364 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.268 14.914 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.097 13.472 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.582 15.496 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.086 16.236 -3.726 1.00 0.00 H new ATOM 1349 N ARG A 91 9.522 13.761 -2.971 1.00 0.00 N ATOM 1350 CA ARG A 91 10.323 13.357 -1.795 1.00 0.00 C ATOM 1351 C ARG A 91 11.547 14.252 -1.600 1.00 0.00 C ATOM 1352 O ARG A 91 11.833 14.610 -0.467 1.00 0.00 O ATOM 1353 CB ARG A 91 10.680 11.854 -1.873 1.00 0.00 C ATOM 1354 CG ARG A 91 9.702 10.944 -1.098 1.00 0.00 C ATOM 1355 CD ARG A 91 8.218 11.207 -1.395 1.00 0.00 C ATOM 1356 NE ARG A 91 7.345 10.226 -0.702 1.00 0.00 N ATOM 1357 CZ ARG A 91 6.022 10.250 -0.639 1.00 0.00 C ATOM 1358 NH1 ARG A 91 5.314 11.185 -1.203 1.00 0.00 N ATOM 1359 NH2 ARG A 91 5.361 9.329 0.006 1.00 0.00 N ATOM 0 H ARG A 91 9.490 13.063 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 91 9.714 13.498 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.697 11.547 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.687 11.708 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.928 9.904 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.874 11.073 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.956 12.217 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.046 11.154 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 91 7.812 9.454 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.776 11.935 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.297 11.168 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.863 8.574 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.342 9.364 0.044 1.00 0.00 H new ATOM 1373 N LEU A 92 12.199 14.710 -2.671 1.00 0.00 N ATOM 1374 CA LEU A 92 13.306 15.672 -2.574 1.00 0.00 C ATOM 1375 C LEU A 92 12.825 17.037 -2.047 1.00 0.00 C ATOM 1376 O LEU A 92 13.487 17.613 -1.187 1.00 0.00 O ATOM 1377 CB LEU A 92 13.982 15.779 -3.955 1.00 0.00 C ATOM 1378 CG LEU A 92 15.238 16.670 -4.001 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.389 16.104 -3.172 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.700 16.768 -5.450 1.00 0.00 C ATOM 0 H LEU A 92 11.978 14.428 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 92 14.039 15.320 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.254 14.777 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.255 16.166 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 92 14.973 17.642 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.248 16.771 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.079 16.016 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.662 15.120 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.590 17.395 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.934 15.772 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.907 17.207 -6.056 1.00 0.00 H new ATOM 1392 N ARG A 93 11.659 17.524 -2.491 1.00 0.00 N ATOM 1393 CA ARG A 93 11.075 18.793 -2.017 1.00 0.00 C ATOM 1394 C ARG A 93 10.749 18.728 -0.528 1.00 0.00 C ATOM 1395 O ARG A 93 11.173 19.602 0.217 1.00 0.00 O ATOM 1396 CB ARG A 93 9.829 19.147 -2.852 1.00 0.00 C ATOM 1397 CG ARG A 93 9.354 20.587 -2.589 1.00 0.00 C ATOM 1398 CD ARG A 93 7.965 20.853 -3.181 1.00 0.00 C ATOM 1399 NE ARG A 93 6.905 20.212 -2.375 1.00 0.00 N ATOM 1400 CZ ARG A 93 5.604 20.246 -2.583 1.00 0.00 C ATOM 1401 NH1 ARG A 93 5.063 20.820 -3.622 1.00 0.00 N ATOM 1402 NH2 ARG A 93 4.830 19.684 -1.708 1.00 0.00 N ATOM 0 H ARG A 93 11.089 17.050 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 93 11.812 19.585 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.055 19.027 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.024 18.450 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.331 20.770 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.070 21.288 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.788 21.927 -3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.925 20.477 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 93 7.217 19.681 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.654 21.271 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.049 20.818 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.232 19.232 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.819 19.694 -1.841 1.00 0.00 H new ATOM 1416 N GLU A 94 10.069 17.678 -0.073 1.00 0.00 N ATOM 1417 CA GLU A 94 9.724 17.533 1.351 1.00 0.00 C ATOM 1418 C GLU A 94 10.976 17.330 2.223 1.00 0.00 C ATOM 1419 O GLU A 94 11.120 17.991 3.253 1.00 0.00 O ATOM 1420 CB GLU A 94 8.710 16.393 1.560 1.00 0.00 C ATOM 1421 CG GLU A 94 7.391 16.569 0.790 1.00 0.00 C ATOM 1422 CD GLU A 94 6.719 17.932 1.042 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.192 18.157 2.158 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.695 18.771 0.108 1.00 0.00 O ATOM 0 H GLU A 94 9.744 16.913 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 94 9.256 18.464 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.171 15.453 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.488 16.311 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.583 16.458 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.702 15.773 1.075 1.00 0.00 H new ATOM 1431 N ARG A 95 11.929 16.494 1.772 1.00 0.00 N ATOM 1432 CA ARG A 95 13.203 16.238 2.470 1.00 0.00 C ATOM 1433 C ARG A 95 14.076 17.499 2.604 1.00 0.00 C ATOM 1434 O ARG A 95 14.686 17.703 3.653 1.00 0.00 O ATOM 1435 CB ARG A 95 13.918 15.084 1.737 1.00 0.00 C ATOM 1436 CG ARG A 95 15.311 14.742 2.290 1.00 0.00 C ATOM 1437 CD ARG A 95 15.878 13.478 1.623 1.00 0.00 C ATOM 1438 NE ARG A 95 17.345 13.433 1.740 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.140 12.389 1.628 1.00 0.00 C ATOM 1440 NH1 ARG A 95 17.743 11.172 1.448 1.00 0.00 N ATOM 1441 NH2 ARG A 95 19.414 12.587 1.690 1.00 0.00 N ATOM 0 H ARG A 95 11.835 15.971 0.902 1.00 0.00 H new ATOM 0 HA ARG A 95 13.003 15.945 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.292 14.194 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.014 15.344 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.988 15.580 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.251 14.592 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.445 12.592 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.593 13.458 0.571 1.00 0.00 H new ATOM 0 HE ARG A 95 17.804 14.323 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.746 10.965 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.426 10.419 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.778 13.531 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.057 11.800 1.607 1.00 0.00 H new ATOM 1455 N VAL A 96 14.122 18.349 1.572 1.00 0.00 N ATOM 1456 CA VAL A 96 14.933 19.585 1.567 1.00 0.00 C ATOM 1457 C VAL A 96 14.217 20.760 2.245 1.00 0.00 C ATOM 1458 O VAL A 96 14.817 21.428 3.090 1.00 0.00 O ATOM 1459 CB VAL A 96 15.381 19.938 0.137 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.103 21.288 0.037 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.372 18.875 -0.351 1.00 0.00 C ATOM 0 H VAL A 96 13.597 18.204 0.710 1.00 0.00 H new ATOM 0 HA VAL A 96 15.825 19.389 2.162 1.00 0.00 H new ATOM 0 HB VAL A 96 14.472 19.985 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.390 21.471 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.438 22.082 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.995 21.271 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.695 19.116 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.238 18.854 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.889 17.898 -0.348 1.00 0.00 H new ATOM 1471 N SER A 97 12.951 21.019 1.907 1.00 0.00 N ATOM 1472 CA SER A 97 12.213 22.204 2.373 1.00 0.00 C ATOM 1473 C SER A 97 11.499 22.007 3.719 1.00 0.00 C ATOM 1474 O SER A 97 11.200 22.993 4.396 1.00 0.00 O ATOM 1475 CB SER A 97 11.201 22.661 1.314 1.00 0.00 C ATOM 1476 OG SER A 97 11.860 22.958 0.089 1.00 0.00 O ATOM 0 H SER A 97 12.403 20.411 1.299 1.00 0.00 H new ATOM 0 HA SER A 97 12.968 22.974 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.457 21.881 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.667 23.542 1.669 1.00 0.00 H new ATOM 0 HG SER A 97 11.200 23.246 -0.576 1.00 0.00 H new