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 Set 1.1: A 25 THR OG1 : rot -74:sc= 2 USER MOD Set 1.2: A 27 SER OG : rot -109:sc= 1.23 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.497 K(o=0.54,f=-4.3!) USER MOD Set 2.2: A 24 TYR OH : rot 180:sc= 0.0393 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 31 GLN : amide:sc= 0.302 K(o=0.3,f=-4.4!) USER MOD Single : A 36 MET CE :methyl -178:sc= -0.162 (180deg=-0.176) USER MOD Single : A 38 SER OG : rot 77:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -22:sc= 0.205 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.244 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.621 2.939 -0.150 1.00 0.00 N ATOM 197 CA GLU A 13 14.164 2.777 -1.508 1.00 0.00 C ATOM 198 C GLU A 13 14.165 4.095 -2.304 1.00 0.00 C ATOM 199 O GLU A 13 15.105 4.372 -3.050 1.00 0.00 O ATOM 200 CB GLU A 13 13.337 1.693 -2.215 1.00 0.00 C ATOM 201 CG GLU A 13 13.925 1.275 -3.567 1.00 0.00 C ATOM 202 CD GLU A 13 13.114 0.112 -4.177 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.403 -1.068 -3.855 1.00 0.00 O ATOM 204 OE2 GLU A 13 12.190 0.374 -4.984 1.00 0.00 O ATOM 0 HA GLU A 13 15.210 2.477 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.268 0.818 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.321 2.059 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.921 2.125 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.965 0.973 -3.440 1.00 0.00 H new ATOM 211 N VAL A 14 13.152 4.948 -2.103 1.00 0.00 N ATOM 212 CA VAL A 14 13.100 6.291 -2.713 1.00 0.00 C ATOM 213 C VAL A 14 14.104 7.224 -2.028 1.00 0.00 C ATOM 214 O VAL A 14 14.838 7.935 -2.712 1.00 0.00 O ATOM 215 CB VAL A 14 11.682 6.898 -2.692 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.606 8.121 -3.620 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.605 5.912 -3.162 1.00 0.00 C ATOM 0 H VAL A 14 12.346 4.732 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 14 13.375 6.180 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 14 11.493 7.169 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.599 8.536 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.319 8.875 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.847 7.820 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.629 6.395 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.818 5.601 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.602 5.038 -2.510 1.00 0.00 H new ATOM 227 N ASP A 15 14.205 7.183 -0.695 1.00 0.00 N ATOM 228 CA ASP A 15 15.244 7.930 0.030 1.00 0.00 C ATOM 229 C ASP A 15 16.668 7.507 -0.386 1.00 0.00 C ATOM 230 O ASP A 15 17.533 8.356 -0.604 1.00 0.00 O ATOM 231 CB ASP A 15 15.057 7.755 1.541 1.00 0.00 C ATOM 232 CG ASP A 15 16.098 8.584 2.313 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.993 9.833 2.302 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.027 8.011 2.926 1.00 0.00 O ATOM 0 H ASP A 15 13.582 6.642 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 15 15.133 8.982 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.052 8.065 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.153 6.702 1.806 1.00 0.00 H new ATOM 239 N GLU A 16 16.894 6.203 -0.582 1.00 0.00 N ATOM 240 CA GLU A 16 18.137 5.659 -1.126 1.00 0.00 C ATOM 241 C GLU A 16 18.401 6.145 -2.560 1.00 0.00 C ATOM 242 O GLU A 16 19.534 6.503 -2.868 1.00 0.00 O ATOM 243 CB GLU A 16 18.103 4.121 -1.057 1.00 0.00 C ATOM 244 CG GLU A 16 19.345 3.480 -1.684 1.00 0.00 C ATOM 245 CD GLU A 16 19.341 1.956 -1.457 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.743 1.217 -2.278 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.940 1.488 -0.460 1.00 0.00 O ATOM 0 H GLU A 16 16.203 5.485 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 16 18.964 6.025 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.023 3.809 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.212 3.757 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.371 3.694 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.245 3.916 -1.249 1.00 0.00 H new ATOM 254 N ALA A 17 17.392 6.209 -3.434 1.00 0.00 N ATOM 255 CA ALA A 17 17.573 6.731 -4.791 1.00 0.00 C ATOM 256 C ALA A 17 17.985 8.219 -4.787 1.00 0.00 C ATOM 257 O ALA A 17 18.912 8.607 -5.506 1.00 0.00 O ATOM 258 CB ALA A 17 16.286 6.494 -5.591 1.00 0.00 C ATOM 0 H ALA A 17 16.441 5.905 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 17 18.393 6.197 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.411 6.879 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.075 5.425 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.456 7.009 -5.106 1.00 0.00 H new ATOM 264 N ILE A 18 17.359 9.038 -3.927 1.00 0.00 N ATOM 265 CA ILE A 18 17.767 10.440 -3.710 1.00 0.00 C ATOM 266 C ILE A 18 19.213 10.515 -3.199 1.00 0.00 C ATOM 267 O ILE A 18 20.021 11.240 -3.775 1.00 0.00 O ATOM 268 CB ILE A 18 16.784 11.158 -2.751 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.358 11.289 -3.332 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.301 12.551 -2.337 1.00 0.00 C ATOM 271 CD1 ILE A 18 15.248 12.055 -4.657 1.00 0.00 C ATOM 0 H ILE A 18 16.559 8.751 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 18 17.730 10.960 -4.667 1.00 0.00 H new ATOM 0 HB ILE A 18 16.727 10.521 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.951 10.288 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.728 11.785 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.583 13.021 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.260 12.447 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.426 13.171 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.205 12.087 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.617 13.072 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.843 11.552 -5.419 1.00 0.00 H new ATOM 283 N ASP A 19 19.568 9.729 -2.182 1.00 0.00 N ATOM 284 CA ASP A 19 20.929 9.667 -1.636 1.00 0.00 C ATOM 285 C ASP A 19 21.969 9.172 -2.665 1.00 0.00 C ATOM 286 O ASP A 19 23.101 9.656 -2.690 1.00 0.00 O ATOM 287 CB ASP A 19 20.904 8.766 -0.397 1.00 0.00 C ATOM 288 CG ASP A 19 22.300 8.586 0.211 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.811 9.528 0.862 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.888 7.492 0.029 1.00 0.00 O ATOM 0 H ASP A 19 18.912 9.109 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 19 21.244 10.676 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.236 9.195 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.497 7.791 -0.666 1.00 0.00 H new ATOM 295 N ASN A 20 21.593 8.254 -3.561 1.00 0.00 N ATOM 296 CA ASN A 20 22.482 7.751 -4.606 1.00 0.00 C ATOM 297 C ASN A 20 22.732 8.798 -5.703 1.00 0.00 C ATOM 298 O ASN A 20 23.880 8.993 -6.088 1.00 0.00 O ATOM 299 CB ASN A 20 21.936 6.414 -5.144 1.00 0.00 C ATOM 300 CG ASN A 20 23.030 5.581 -5.794 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.051 5.283 -5.185 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.855 5.148 -7.020 1.00 0.00 N ATOM 0 H ASN A 20 20.661 7.840 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 20 23.466 7.557 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.486 5.850 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.147 6.609 -5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.567 4.566 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.007 5.393 -7.531 1.00 0.00 H new ATOM 309 N ILE A 21 21.703 9.541 -6.136 1.00 0.00 N ATOM 310 CA ILE A 21 21.888 10.697 -7.038 1.00 0.00 C ATOM 311 C ILE A 21 22.736 11.788 -6.361 1.00 0.00 C ATOM 312 O ILE A 21 23.671 12.309 -6.968 1.00 0.00 O ATOM 313 CB ILE A 21 20.524 11.237 -7.534 1.00 0.00 C ATOM 314 CG1 ILE A 21 19.938 10.276 -8.592 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.680 12.649 -8.134 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.428 10.447 -8.796 1.00 0.00 C ATOM 0 H ILE A 21 20.732 9.365 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 21 22.437 10.364 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 21 19.844 11.299 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.447 10.439 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.143 9.248 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.709 13.008 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.071 13.326 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.371 12.612 -8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.081 9.742 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 21 17.910 10.256 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.218 11.465 -9.125 1.00 0.00 H new ATOM 328 N LEU A 22 22.448 12.102 -5.097 1.00 0.00 N ATOM 329 CA LEU A 22 23.180 13.089 -4.298 1.00 0.00 C ATOM 330 C LEU A 22 24.688 12.771 -4.234 1.00 0.00 C ATOM 331 O LEU A 22 25.525 13.647 -4.475 1.00 0.00 O ATOM 332 CB LEU A 22 22.518 13.083 -2.907 1.00 0.00 C ATOM 333 CG LEU A 22 23.100 14.069 -1.895 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.738 15.502 -2.267 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.520 13.790 -0.508 1.00 0.00 C ATOM 0 H LEU A 22 21.680 11.666 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 22 23.126 14.081 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.457 13.299 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.593 12.078 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 22 24.183 13.947 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.163 16.187 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.138 15.734 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.654 15.612 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.938 14.496 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.436 13.902 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.772 12.773 -0.206 1.00 0.00 H new ATOM 347 N ARG A 23 25.037 11.498 -3.994 1.00 0.00 N ATOM 348 CA ARG A 23 26.428 11.012 -4.014 1.00 0.00 C ATOM 349 C ARG A 23 27.033 10.995 -5.423 1.00 0.00 C ATOM 350 O ARG A 23 28.141 11.497 -5.598 1.00 0.00 O ATOM 351 CB ARG A 23 26.503 9.620 -3.360 1.00 0.00 C ATOM 352 CG ARG A 23 26.462 9.695 -1.826 1.00 0.00 C ATOM 353 CD ARG A 23 26.607 8.314 -1.169 1.00 0.00 C ATOM 354 NE ARG A 23 25.378 7.505 -1.282 1.00 0.00 N ATOM 355 CZ ARG A 23 25.074 6.547 -2.134 1.00 0.00 C ATOM 356 NH1 ARG A 23 25.854 6.156 -3.101 1.00 0.00 N ATOM 357 NH2 ARG A 23 23.918 5.969 -2.016 1.00 0.00 N ATOM 0 H ARG A 23 24.357 10.769 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 23 27.029 11.715 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.673 9.009 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.421 9.123 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.262 10.347 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.521 10.147 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.435 7.779 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.860 8.440 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 23 24.654 7.720 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.763 6.599 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.556 5.407 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.275 6.260 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 23 23.652 5.224 -2.660 1.00 0.00 H new ATOM 371 N TYR A 24 26.320 10.492 -6.436 1.00 0.00 N ATOM 372 CA TYR A 24 26.821 10.436 -7.824 1.00 0.00 C ATOM 373 C TYR A 24 27.139 11.832 -8.389 1.00 0.00 C ATOM 374 O TYR A 24 28.110 11.991 -9.128 1.00 0.00 O ATOM 375 CB TYR A 24 25.787 9.748 -8.732 1.00 0.00 C ATOM 376 CG TYR A 24 25.698 8.227 -8.714 1.00 0.00 C ATOM 377 CD1 TYR A 24 26.267 7.439 -7.687 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.023 7.591 -9.778 1.00 0.00 C ATOM 379 CE1 TYR A 24 26.158 6.035 -7.726 1.00 0.00 C ATOM 380 CE2 TYR A 24 24.917 6.188 -9.825 1.00 0.00 C ATOM 381 CZ TYR A 24 25.483 5.406 -8.795 1.00 0.00 C ATOM 382 OH TYR A 24 25.344 4.052 -8.799 1.00 0.00 O ATOM 0 H TYR A 24 25.380 10.111 -6.323 1.00 0.00 H new ATOM 0 HA TYR A 24 27.748 9.863 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.804 10.140 -8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.991 10.056 -9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.787 7.915 -6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.583 8.187 -10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.592 5.439 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.404 5.711 -10.647 1.00 0.00 H new ATOM 0 HH TYR A 24 24.855 3.776 -9.602 1.00 0.00 H new ATOM 392 N THR A 25 26.344 12.842 -8.022 1.00 0.00 N ATOM 393 CA THR A 25 26.556 14.245 -8.431 1.00 0.00 C ATOM 394 C THR A 25 27.503 15.026 -7.504 1.00 0.00 C ATOM 395 O THR A 25 27.770 16.201 -7.762 1.00 0.00 O ATOM 396 CB THR A 25 25.222 14.990 -8.571 1.00 0.00 C ATOM 397 OG1 THR A 25 24.539 15.004 -7.343 1.00 0.00 O ATOM 398 CG2 THR A 25 24.284 14.376 -9.610 1.00 0.00 C ATOM 0 H THR A 25 25.526 12.713 -7.427 1.00 0.00 H new ATOM 0 HA THR A 25 27.046 14.192 -9.403 1.00 0.00 H new ATOM 0 HB THR A 25 25.486 15.996 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.165 14.115 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.361 14.955 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.767 14.387 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.054 13.348 -9.330 1.00 0.00 H new ATOM 406 N ASN A 26 28.015 14.390 -6.437 1.00 0.00 N ATOM 407 CA ASN A 26 28.910 14.984 -5.431 1.00 0.00 C ATOM 408 C ASN A 26 28.376 16.320 -4.864 1.00 0.00 C ATOM 409 O ASN A 26 29.133 17.265 -4.629 1.00 0.00 O ATOM 410 CB ASN A 26 30.357 15.052 -5.966 1.00 0.00 C ATOM 411 CG ASN A 26 30.905 13.693 -6.374 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.372 12.916 -5.554 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.879 13.365 -7.646 1.00 0.00 N ATOM 0 H ASN A 26 27.808 13.410 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 26 28.931 14.324 -4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.390 15.723 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.002 15.482 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.248 12.463 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.490 14.012 -8.332 1.00 0.00 H new ATOM 420 N SER A 27 27.054 16.397 -4.681 1.00 0.00 N ATOM 421 CA SER A 27 26.326 17.641 -4.382 1.00 0.00 C ATOM 422 C SER A 27 25.685 17.657 -2.984 1.00 0.00 C ATOM 423 O SER A 27 25.740 16.676 -2.239 1.00 0.00 O ATOM 424 CB SER A 27 25.260 17.848 -5.464 1.00 0.00 C ATOM 425 OG SER A 27 24.245 16.869 -5.364 1.00 0.00 O ATOM 0 H SER A 27 26.445 15.581 -4.737 1.00 0.00 H new ATOM 0 HA SER A 27 27.047 18.458 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.824 18.842 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.722 17.799 -6.450 1.00 0.00 H new ATOM 0 HG SER A 27 24.319 16.243 -6.114 1.00 0.00 H new ATOM 431 N THR A 28 25.086 18.800 -2.626 1.00 0.00 N ATOM 432 CA THR A 28 24.180 18.921 -1.468 1.00 0.00 C ATOM 433 C THR A 28 22.734 19.007 -1.961 1.00 0.00 C ATOM 434 O THR A 28 22.472 19.490 -3.062 1.00 0.00 O ATOM 435 CB THR A 28 24.574 20.063 -0.511 1.00 0.00 C ATOM 436 OG1 THR A 28 23.697 20.050 0.595 1.00 0.00 O ATOM 437 CG2 THR A 28 24.524 21.464 -1.116 1.00 0.00 C ATOM 0 H THR A 28 25.215 19.675 -3.133 1.00 0.00 H new ATOM 0 HA THR A 28 24.274 18.023 -0.858 1.00 0.00 H new ATOM 0 HB THR A 28 25.613 19.872 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.939 20.772 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.818 22.196 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.208 21.519 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.510 21.678 -1.454 1.00 0.00 H new ATOM 445 N GLU A 29 21.763 18.539 -1.176 1.00 0.00 N ATOM 446 CA GLU A 29 20.372 18.374 -1.635 1.00 0.00 C ATOM 447 C GLU A 29 19.684 19.691 -2.035 1.00 0.00 C ATOM 448 O GLU A 29 18.790 19.673 -2.876 1.00 0.00 O ATOM 449 CB GLU A 29 19.555 17.537 -0.632 1.00 0.00 C ATOM 450 CG GLU A 29 19.674 17.988 0.830 1.00 0.00 C ATOM 451 CD GLU A 29 18.731 17.182 1.751 1.00 0.00 C ATOM 452 OE1 GLU A 29 18.743 15.927 1.692 1.00 0.00 O ATOM 453 OE2 GLU A 29 17.995 17.802 2.556 1.00 0.00 O ATOM 0 H GLU A 29 21.912 18.263 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 29 20.417 17.811 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.505 17.570 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.873 16.497 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.704 17.867 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 29 19.437 19.049 0.905 1.00 0.00 H new ATOM 460 N GLN A 30 20.155 20.845 -1.542 1.00 0.00 N ATOM 461 CA GLN A 30 19.710 22.163 -2.026 1.00 0.00 C ATOM 462 C GLN A 30 20.138 22.435 -3.489 1.00 0.00 C ATOM 463 O GLN A 30 19.375 23.029 -4.249 1.00 0.00 O ATOM 464 CB GLN A 30 20.242 23.262 -1.092 1.00 0.00 C ATOM 465 CG GLN A 30 19.655 23.170 0.330 1.00 0.00 C ATOM 466 CD GLN A 30 20.128 24.288 1.264 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.933 25.149 0.929 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.650 24.317 2.492 1.00 0.00 N ATOM 0 H GLN A 30 20.853 20.893 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 30 18.620 22.168 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.328 23.192 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.006 24.238 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.567 23.197 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.925 22.207 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.979 23.611 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.951 25.045 3.140 1.00 0.00 H new ATOM 477 N GLN A 31 21.310 21.948 -3.919 1.00 0.00 N ATOM 478 CA GLN A 31 21.762 22.042 -5.320 1.00 0.00 C ATOM 479 C GLN A 31 20.964 21.093 -6.223 1.00 0.00 C ATOM 480 O GLN A 31 20.577 21.472 -7.325 1.00 0.00 O ATOM 481 CB GLN A 31 23.259 21.718 -5.430 1.00 0.00 C ATOM 482 CG GLN A 31 24.177 22.715 -4.702 1.00 0.00 C ATOM 483 CD GLN A 31 25.626 22.224 -4.617 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.905 21.037 -4.497 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.599 23.106 -4.628 1.00 0.00 N ATOM 0 H GLN A 31 21.975 21.476 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 31 21.592 23.066 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.434 20.720 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.536 21.689 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.151 23.673 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.795 22.887 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.386 24.099 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.567 22.798 -4.538 1.00 0.00 H new ATOM 494 N PHE A 32 20.665 19.876 -5.741 1.00 0.00 N ATOM 495 CA PHE A 32 19.789 18.933 -6.452 1.00 0.00 C ATOM 496 C PHE A 32 18.360 19.496 -6.586 1.00 0.00 C ATOM 497 O PHE A 32 17.790 19.448 -7.673 1.00 0.00 O ATOM 498 CB PHE A 32 19.866 17.562 -5.749 1.00 0.00 C ATOM 499 CG PHE A 32 19.122 16.380 -6.364 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.652 16.381 -7.695 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.927 15.230 -5.572 1.00 0.00 C ATOM 502 CE1 PHE A 32 17.937 15.278 -8.197 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.224 14.122 -6.079 1.00 0.00 C ATOM 504 CZ PHE A 32 17.705 14.157 -7.383 1.00 0.00 C ATOM 0 H PHE A 32 21.021 19.521 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 32 20.128 18.791 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.918 17.288 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.497 17.691 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.842 17.233 -8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.321 15.199 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.566 15.293 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.084 13.245 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.129 13.324 -7.759 1.00 0.00 H new ATOM 514 N LEU A 33 17.821 20.126 -5.532 1.00 0.00 N ATOM 515 CA LEU A 33 16.541 20.850 -5.586 1.00 0.00 C ATOM 516 C LEU A 33 16.565 21.958 -6.642 1.00 0.00 C ATOM 517 O LEU A 33 15.682 22.009 -7.489 1.00 0.00 O ATOM 518 CB LEU A 33 16.189 21.371 -4.174 1.00 0.00 C ATOM 519 CG LEU A 33 14.806 22.026 -3.943 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.670 23.431 -4.536 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.655 21.164 -4.466 1.00 0.00 C ATOM 0 H LEU A 33 18.263 20.148 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 33 15.751 20.167 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.277 20.533 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.950 22.099 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 33 14.741 22.111 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.672 23.818 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.414 24.089 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.827 23.388 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.708 21.670 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.777 21.006 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.660 20.201 -3.955 1.00 0.00 H new ATOM 533 N GLU A 34 17.598 22.800 -6.640 1.00 0.00 N ATOM 534 CA GLU A 34 17.740 23.897 -7.609 1.00 0.00 C ATOM 535 C GLU A 34 17.858 23.395 -9.059 1.00 0.00 C ATOM 536 O GLU A 34 17.228 23.953 -9.958 1.00 0.00 O ATOM 537 CB GLU A 34 18.940 24.773 -7.206 1.00 0.00 C ATOM 538 CG GLU A 34 19.063 26.033 -8.071 1.00 0.00 C ATOM 539 CD GLU A 34 20.203 26.937 -7.561 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.376 26.718 -7.952 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.930 27.881 -6.777 1.00 0.00 O ATOM 0 H GLU A 34 18.363 22.744 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 34 16.831 24.499 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.839 25.063 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.856 24.189 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.252 25.752 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.122 26.583 -8.056 1.00 0.00 H new ATOM 548 N ALA A 35 18.589 22.303 -9.287 1.00 0.00 N ATOM 549 CA ALA A 35 18.708 21.672 -10.603 1.00 0.00 C ATOM 550 C ALA A 35 17.377 21.055 -11.079 1.00 0.00 C ATOM 551 O ALA A 35 17.009 21.193 -12.245 1.00 0.00 O ATOM 552 CB ALA A 35 19.839 20.633 -10.539 1.00 0.00 C ATOM 0 H ALA A 35 19.120 21.827 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 35 18.953 22.431 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.945 20.150 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.774 21.128 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.602 19.883 -9.785 1.00 0.00 H new ATOM 558 N MET A 36 16.611 20.427 -10.181 1.00 0.00 N ATOM 559 CA MET A 36 15.272 19.894 -10.480 1.00 0.00 C ATOM 560 C MET A 36 14.248 21.014 -10.716 1.00 0.00 C ATOM 561 O MET A 36 13.480 20.946 -11.673 1.00 0.00 O ATOM 562 CB MET A 36 14.840 18.956 -9.340 1.00 0.00 C ATOM 563 CG MET A 36 15.610 17.630 -9.401 1.00 0.00 C ATOM 564 SD MET A 36 15.048 16.483 -10.690 1.00 0.00 S ATOM 565 CE MET A 36 13.603 15.787 -9.849 1.00 0.00 C ATOM 0 H MET A 36 16.903 20.271 -9.216 1.00 0.00 H new ATOM 0 HA MET A 36 15.317 19.327 -11.410 1.00 0.00 H new ATOM 0 HB2 MET A 36 15.016 19.440 -8.379 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.769 18.763 -9.408 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.666 17.846 -9.562 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.530 17.135 -8.433 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.144 15.028 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.913 15.335 -8.907 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.881 16.579 -9.651 1.00 0.00 H new ATOM 575 N GLU A 37 14.281 22.086 -9.924 1.00 0.00 N ATOM 576 CA GLU A 37 13.411 23.260 -10.099 1.00 0.00 C ATOM 577 C GLU A 37 13.697 23.980 -11.433 1.00 0.00 C ATOM 578 O GLU A 37 12.770 24.404 -12.127 1.00 0.00 O ATOM 579 CB GLU A 37 13.617 24.209 -8.902 1.00 0.00 C ATOM 580 CG GLU A 37 12.543 25.298 -8.751 1.00 0.00 C ATOM 581 CD GLU A 37 11.303 24.803 -7.977 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.775 23.703 -8.261 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.839 25.501 -7.043 1.00 0.00 O ATOM 0 H GLU A 37 14.919 22.169 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 37 12.371 22.935 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.645 23.617 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.590 24.690 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.971 26.157 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.237 25.641 -9.739 1.00 0.00 H new ATOM 590 N SER A 38 14.975 24.053 -11.834 1.00 0.00 N ATOM 591 CA SER A 38 15.407 24.676 -13.101 1.00 0.00 C ATOM 592 C SER A 38 15.058 23.850 -14.351 1.00 0.00 C ATOM 593 O SER A 38 15.032 24.397 -15.456 1.00 0.00 O ATOM 594 CB SER A 38 16.923 24.928 -13.078 1.00 0.00 C ATOM 595 OG SER A 38 17.289 25.766 -11.996 1.00 0.00 O ATOM 0 H SER A 38 15.748 23.678 -11.284 1.00 0.00 H new ATOM 0 HA SER A 38 14.856 25.614 -13.172 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.451 23.977 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.232 25.387 -14.017 1.00 0.00 H new ATOM 0 HG SER A 38 17.278 25.249 -11.164 1.00 0.00 H new ATOM 601 N THR A 39 14.797 22.543 -14.196 1.00 0.00 N ATOM 602 CA THR A 39 14.522 21.602 -15.306 1.00 0.00 C ATOM 603 C THR A 39 13.082 21.069 -15.332 1.00 0.00 C ATOM 604 O THR A 39 12.735 20.280 -16.212 1.00 0.00 O ATOM 605 CB THR A 39 15.509 20.428 -15.289 1.00 0.00 C ATOM 606 OG1 THR A 39 15.450 19.773 -14.045 1.00 0.00 O ATOM 607 CG2 THR A 39 16.955 20.868 -15.515 1.00 0.00 C ATOM 0 H THR A 39 14.769 22.096 -13.279 1.00 0.00 H new ATOM 0 HA THR A 39 14.655 22.186 -16.217 1.00 0.00 H new ATOM 0 HB THR A 39 15.216 19.767 -16.104 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.997 20.259 -13.393 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.608 19.996 -15.493 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.039 21.359 -16.484 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.251 21.563 -14.729 1.00 0.00 H new ATOM 615 N GLY A 40 12.225 21.477 -14.386 1.00 0.00 N ATOM 616 CA GLY A 40 10.844 20.986 -14.280 1.00 0.00 C ATOM 617 C GLY A 40 10.747 19.534 -13.788 1.00 0.00 C ATOM 618 O GLY A 40 9.817 18.814 -14.156 1.00 0.00 O ATOM 0 H GLY A 40 12.471 22.160 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.289 21.630 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.363 21.064 -15.255 1.00 0.00 H new ATOM 622 N GLY A 41 11.727 19.084 -12.996 1.00 0.00 N ATOM 623 CA GLY A 41 11.780 17.725 -12.441 1.00 0.00 C ATOM 624 C GLY A 41 12.340 16.651 -13.379 1.00 0.00 C ATOM 625 O GLY A 41 12.188 15.465 -13.092 1.00 0.00 O ATOM 0 H GLY A 41 12.519 19.663 -12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.387 17.744 -11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.773 17.433 -12.143 1.00 0.00 H new ATOM 629 N ARG A 42 12.999 17.024 -14.485 1.00 0.00 N ATOM 630 CA ARG A 42 13.653 16.064 -15.402 1.00 0.00 C ATOM 631 C ARG A 42 14.969 15.584 -14.793 1.00 0.00 C ATOM 632 O ARG A 42 16.009 16.188 -15.021 1.00 0.00 O ATOM 633 CB ARG A 42 13.849 16.724 -16.787 1.00 0.00 C ATOM 634 CG ARG A 42 12.632 16.577 -17.711 1.00 0.00 C ATOM 635 CD ARG A 42 12.504 15.155 -18.283 1.00 0.00 C ATOM 636 NE ARG A 42 11.579 15.115 -19.435 1.00 0.00 N ATOM 637 CZ ARG A 42 10.257 15.065 -19.430 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.560 15.054 -18.330 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.601 15.029 -20.553 1.00 0.00 N ATOM 0 H ARG A 42 13.097 17.997 -14.774 1.00 0.00 H new ATOM 0 HA ARG A 42 13.023 15.186 -15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.065 17.783 -16.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.719 16.282 -17.272 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.726 16.827 -17.158 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.712 17.291 -18.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.486 14.796 -18.591 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.147 14.480 -17.505 1.00 0.00 H new ATOM 0 HE ARG A 42 12.018 15.128 -20.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.032 15.085 -17.427 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.542 15.015 -18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.106 15.039 -21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.582 14.990 -20.547 1.00 0.00 H new ATOM 653 N VAL A 43 14.928 14.461 -14.071 1.00 0.00 N ATOM 654 CA VAL A 43 16.081 13.917 -13.309 1.00 0.00 C ATOM 655 C VAL A 43 17.333 13.806 -14.176 1.00 0.00 C ATOM 656 O VAL A 43 18.384 14.285 -13.770 1.00 0.00 O ATOM 657 CB VAL A 43 15.742 12.559 -12.646 1.00 0.00 C ATOM 658 CG1 VAL A 43 16.885 12.055 -11.757 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.507 12.668 -11.744 1.00 0.00 C ATOM 0 H VAL A 43 14.087 13.889 -13.991 1.00 0.00 H new ATOM 0 HA VAL A 43 16.295 14.629 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 43 15.565 11.869 -13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.606 11.100 -11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.784 11.925 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.079 12.781 -10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.298 11.697 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.694 13.399 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.650 12.986 -12.338 1.00 0.00 H new ATOM 669 N ARG A 44 17.218 13.293 -15.410 1.00 0.00 N ATOM 670 CA ARG A 44 18.362 13.160 -16.335 1.00 0.00 C ATOM 671 C ARG A 44 19.035 14.499 -16.676 1.00 0.00 C ATOM 672 O ARG A 44 20.254 14.609 -16.619 1.00 0.00 O ATOM 673 CB ARG A 44 17.946 12.337 -17.575 1.00 0.00 C ATOM 674 CG ARG A 44 16.938 13.004 -18.537 1.00 0.00 C ATOM 675 CD ARG A 44 16.471 12.036 -19.635 1.00 0.00 C ATOM 676 NE ARG A 44 17.588 11.567 -20.483 1.00 0.00 N ATOM 677 CZ ARG A 44 18.070 12.121 -21.583 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.591 13.229 -22.077 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.062 11.560 -22.214 1.00 0.00 N ATOM 0 H ARG A 44 16.335 12.959 -15.797 1.00 0.00 H new ATOM 0 HA ARG A 44 19.146 12.605 -15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.846 12.092 -18.139 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.518 11.395 -17.232 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.075 13.356 -17.972 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.398 13.879 -18.996 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.982 11.177 -19.175 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.727 12.530 -20.259 1.00 0.00 H new ATOM 0 HE ARG A 44 18.045 10.707 -20.181 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.816 13.701 -21.612 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.992 13.623 -22.928 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.467 10.693 -21.860 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.434 11.987 -23.062 1.00 0.00 H new ATOM 693 N ILE A 45 18.238 15.543 -16.920 1.00 0.00 N ATOM 694 CA ILE A 45 18.746 16.896 -17.244 1.00 0.00 C ATOM 695 C ILE A 45 19.292 17.566 -15.975 1.00 0.00 C ATOM 696 O ILE A 45 20.335 18.213 -16.020 1.00 0.00 O ATOM 697 CB ILE A 45 17.668 17.760 -17.951 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.051 17.016 -19.164 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.283 19.094 -18.418 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.963 17.797 -19.915 1.00 0.00 C ATOM 0 H ILE A 45 17.220 15.483 -16.901 1.00 0.00 H new ATOM 0 HA ILE A 45 19.567 16.800 -17.954 1.00 0.00 H new ATOM 0 HB ILE A 45 16.873 17.955 -17.232 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.849 16.768 -19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.627 16.074 -18.817 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.519 19.693 -18.913 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.669 19.638 -17.556 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.096 18.895 -19.116 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.592 17.197 -20.746 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.142 18.022 -19.235 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.382 18.727 -20.298 1.00 0.00 H new ATOM 712 N ALA A 46 18.633 17.367 -14.832 1.00 0.00 N ATOM 713 CA ALA A 46 19.055 17.912 -13.545 1.00 0.00 C ATOM 714 C ALA A 46 20.421 17.354 -13.120 1.00 0.00 C ATOM 715 O ALA A 46 21.332 18.124 -12.826 1.00 0.00 O ATOM 716 CB ALA A 46 17.963 17.619 -12.506 1.00 0.00 C ATOM 0 H ALA A 46 17.778 16.814 -14.776 1.00 0.00 H new ATOM 0 HA ALA A 46 19.184 18.991 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.264 18.020 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.029 18.086 -12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.819 16.542 -12.423 1.00 0.00 H new ATOM 722 N ILE A 47 20.609 16.029 -13.164 1.00 0.00 N ATOM 723 CA ILE A 47 21.904 15.409 -12.833 1.00 0.00 C ATOM 724 C ILE A 47 22.960 15.747 -13.894 1.00 0.00 C ATOM 725 O ILE A 47 24.094 16.033 -13.527 1.00 0.00 O ATOM 726 CB ILE A 47 21.792 13.891 -12.532 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.515 13.042 -13.786 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.758 13.666 -11.413 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.325 11.542 -13.515 1.00 0.00 C ATOM 0 H ILE A 47 19.882 15.363 -13.425 1.00 0.00 H new ATOM 0 HA ILE A 47 22.246 15.847 -11.895 1.00 0.00 H new ATOM 0 HB ILE A 47 22.763 13.541 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.621 13.425 -14.277 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.342 13.169 -14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.678 12.600 -11.200 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.075 14.193 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.788 14.046 -11.733 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.135 11.024 -14.455 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.227 11.139 -13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.479 11.398 -12.844 1.00 0.00 H new ATOM 741 N ALA A 48 22.595 15.831 -15.183 1.00 0.00 N ATOM 742 CA ALA A 48 23.513 16.263 -16.247 1.00 0.00 C ATOM 743 C ALA A 48 24.047 17.695 -16.041 1.00 0.00 C ATOM 744 O ALA A 48 25.258 17.919 -16.096 1.00 0.00 O ATOM 745 CB ALA A 48 22.786 16.127 -17.590 1.00 0.00 C ATOM 0 H ALA A 48 21.658 15.602 -15.516 1.00 0.00 H new ATOM 0 HA ALA A 48 24.395 15.623 -16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.449 16.442 -18.396 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.497 15.087 -17.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.895 16.755 -17.586 1.00 0.00 H new ATOM 751 N LYS A 49 23.166 18.658 -15.737 1.00 0.00 N ATOM 752 CA LYS A 49 23.561 20.055 -15.470 1.00 0.00 C ATOM 753 C LYS A 49 24.334 20.190 -14.159 1.00 0.00 C ATOM 754 O LYS A 49 25.349 20.877 -14.113 1.00 0.00 O ATOM 755 CB LYS A 49 22.328 20.973 -15.524 1.00 0.00 C ATOM 756 CG LYS A 49 21.923 21.141 -16.995 1.00 0.00 C ATOM 757 CD LYS A 49 20.877 22.238 -17.215 1.00 0.00 C ATOM 758 CE LYS A 49 20.803 22.464 -18.729 1.00 0.00 C ATOM 759 NZ LYS A 49 19.908 23.601 -19.093 1.00 0.00 N ATOM 0 H LYS A 49 22.161 18.495 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 49 24.248 20.374 -16.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.507 20.542 -14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.555 21.942 -15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.810 21.371 -17.585 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.530 20.195 -17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.907 21.936 -16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.161 23.155 -16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.804 22.656 -19.114 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.445 21.555 -19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.892 23.713 -20.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.945 23.408 -18.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.262 24.476 -18.656 1.00 0.00 H new ATOM 773 N LEU A 50 23.931 19.459 -13.122 1.00 0.00 N ATOM 774 CA LEU A 50 24.623 19.442 -11.825 1.00 0.00 C ATOM 775 C LEU A 50 26.028 18.807 -11.907 1.00 0.00 C ATOM 776 O LEU A 50 26.948 19.292 -11.254 1.00 0.00 O ATOM 777 CB LEU A 50 23.687 18.734 -10.834 1.00 0.00 C ATOM 778 CG LEU A 50 24.120 18.710 -9.362 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.373 20.102 -8.784 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.981 18.070 -8.570 1.00 0.00 C ATOM 0 H LEU A 50 23.109 18.856 -13.153 1.00 0.00 H new ATOM 0 HA LEU A 50 24.824 20.457 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 22.709 19.212 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.559 17.704 -11.166 1.00 0.00 H new ATOM 0 HG LEU A 50 25.057 18.158 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.676 20.013 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.164 20.593 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.460 20.694 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.248 18.033 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.074 18.662 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.807 17.058 -8.936 1.00 0.00 H new ATOM 792 N LEU A 51 26.217 17.789 -12.759 1.00 0.00 N ATOM 793 CA LEU A 51 27.539 17.238 -13.099 1.00 0.00 C ATOM 794 C LEU A 51 28.387 18.226 -13.921 1.00 0.00 C ATOM 795 O LEU A 51 29.571 18.401 -13.633 1.00 0.00 O ATOM 796 CB LEU A 51 27.374 15.905 -13.856 1.00 0.00 C ATOM 797 CG LEU A 51 26.959 14.720 -12.966 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.490 13.545 -13.828 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.116 14.229 -12.096 1.00 0.00 C ATOM 0 H LEU A 51 25.448 17.319 -13.237 1.00 0.00 H new ATOM 0 HA LEU A 51 28.073 17.060 -12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.627 16.035 -14.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.315 15.662 -14.350 1.00 0.00 H new ATOM 0 HG LEU A 51 26.153 15.077 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.200 12.715 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.635 13.854 -14.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.301 13.229 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.781 13.392 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.939 13.905 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.455 15.039 -11.450 1.00 0.00 H new ATOM 1252 N SER A 85 10.081 10.506 -12.406 1.00 0.00 N ATOM 1253 CA SER A 85 10.431 11.910 -12.149 1.00 0.00 C ATOM 1254 C SER A 85 9.578 12.561 -11.056 1.00 0.00 C ATOM 1255 O SER A 85 10.119 13.251 -10.194 1.00 0.00 O ATOM 1256 CB SER A 85 10.302 12.720 -13.447 1.00 0.00 C ATOM 1257 OG SER A 85 9.034 12.496 -14.051 1.00 0.00 O ATOM 0 HA SER A 85 11.460 11.913 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.427 13.782 -13.234 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.096 12.438 -14.139 1.00 0.00 H new ATOM 0 HG SER A 85 8.666 11.646 -13.733 1.00 0.00 H new ATOM 1263 N GLN A 86 8.263 12.322 -11.051 1.00 0.00 N ATOM 1264 CA GLN A 86 7.334 12.993 -10.131 1.00 0.00 C ATOM 1265 C GLN A 86 7.490 12.521 -8.682 1.00 0.00 C ATOM 1266 O GLN A 86 7.539 13.356 -7.778 1.00 0.00 O ATOM 1267 CB GLN A 86 5.884 12.836 -10.625 1.00 0.00 C ATOM 1268 CG GLN A 86 5.647 13.502 -11.993 1.00 0.00 C ATOM 1269 CD GLN A 86 4.187 13.399 -12.430 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.803 12.552 -13.227 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.310 14.247 -11.934 1.00 0.00 N ATOM 0 H GLN A 86 7.812 11.660 -11.682 1.00 0.00 H new ATOM 0 HA GLN A 86 7.588 14.053 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.641 11.776 -10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.205 13.271 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.938 14.551 -11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.284 13.031 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.610 14.960 -11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.331 14.191 -12.215 1.00 0.00 H new ATOM 1280 N GLN A 87 7.636 11.216 -8.435 1.00 0.00 N ATOM 1281 CA GLN A 87 7.888 10.684 -7.086 1.00 0.00 C ATOM 1282 C GLN A 87 9.267 11.097 -6.549 1.00 0.00 C ATOM 1283 O GLN A 87 9.375 11.480 -5.385 1.00 0.00 O ATOM 1284 CB GLN A 87 7.739 9.155 -7.091 1.00 0.00 C ATOM 1285 CG GLN A 87 6.265 8.724 -7.177 1.00 0.00 C ATOM 1286 CD GLN A 87 6.159 7.261 -7.592 1.00 0.00 C ATOM 1287 OE1 GLN A 87 5.976 6.358 -6.788 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.315 6.980 -8.864 1.00 0.00 N ATOM 0 H GLN A 87 7.584 10.499 -9.158 1.00 0.00 H new ATOM 0 HA GLN A 87 7.146 11.114 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.289 8.739 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.186 8.743 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.781 8.870 -6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.738 9.351 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.468 7.731 -9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.283 6.011 -9.180 1.00 0.00 H new ATOM 1297 N ILE A 88 10.308 11.110 -7.396 1.00 0.00 N ATOM 1298 CA ILE A 88 11.646 11.596 -7.011 1.00 0.00 C ATOM 1299 C ILE A 88 11.612 13.096 -6.689 1.00 0.00 C ATOM 1300 O ILE A 88 12.107 13.502 -5.642 1.00 0.00 O ATOM 1301 CB ILE A 88 12.693 11.193 -8.083 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.338 9.835 -7.736 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.845 12.203 -8.240 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.383 8.635 -7.651 1.00 0.00 C ATOM 0 H ILE A 88 10.249 10.786 -8.362 1.00 0.00 H new ATOM 0 HA ILE A 88 11.963 11.113 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 88 12.130 11.152 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.099 9.615 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.851 9.933 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.535 11.851 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.442 13.173 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.375 12.301 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.948 7.737 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.635 8.819 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.887 8.496 -8.612 1.00 0.00 H new ATOM 1316 N LEU A 89 10.960 13.914 -7.520 1.00 0.00 N ATOM 1317 CA LEU A 89 10.763 15.346 -7.250 1.00 0.00 C ATOM 1318 C LEU A 89 10.007 15.578 -5.931 1.00 0.00 C ATOM 1319 O LEU A 89 10.455 16.378 -5.113 1.00 0.00 O ATOM 1320 CB LEU A 89 10.023 15.986 -8.445 1.00 0.00 C ATOM 1321 CG LEU A 89 9.642 17.474 -8.278 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.868 18.387 -8.194 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.795 17.930 -9.460 1.00 0.00 C ATOM 0 H LEU A 89 10.552 13.604 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 89 11.737 15.822 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.650 15.888 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.113 15.416 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 89 9.087 17.550 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.544 19.421 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.478 18.099 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.456 18.292 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.531 18.980 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.362 17.806 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.886 17.330 -9.509 1.00 0.00 H new ATOM 1335 N ASN A 90 8.906 14.860 -5.694 1.00 0.00 N ATOM 1336 CA ASN A 90 8.143 14.980 -4.443 1.00 0.00 C ATOM 1337 C ASN A 90 9.001 14.602 -3.230 1.00 0.00 C ATOM 1338 O ASN A 90 9.116 15.405 -2.307 1.00 0.00 O ATOM 1339 CB ASN A 90 6.839 14.161 -4.518 1.00 0.00 C ATOM 1340 CG ASN A 90 5.706 14.951 -5.153 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.936 15.620 -4.479 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.577 14.928 -6.459 1.00 0.00 N ATOM 0 H ASN A 90 8.519 14.185 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 90 7.860 16.024 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.014 13.252 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.547 13.851 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.836 15.467 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.217 14.371 -7.025 1.00 0.00 H new ATOM 1349 N ARG A 91 9.689 13.452 -3.245 1.00 0.00 N ATOM 1350 CA ARG A 91 10.542 13.041 -2.114 1.00 0.00 C ATOM 1351 C ARG A 91 11.730 13.973 -1.907 1.00 0.00 C ATOM 1352 O ARG A 91 12.045 14.273 -0.761 1.00 0.00 O ATOM 1353 CB ARG A 91 10.954 11.563 -2.262 1.00 0.00 C ATOM 1354 CG ARG A 91 11.753 10.988 -1.067 1.00 0.00 C ATOM 1355 CD ARG A 91 11.174 11.252 0.340 1.00 0.00 C ATOM 1356 NE ARG A 91 9.703 11.136 0.402 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.943 10.070 0.267 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.429 8.868 0.145 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.660 10.238 0.239 1.00 0.00 N ATOM 0 H ARG A 91 9.674 12.791 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 91 9.953 13.127 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.055 10.962 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.553 11.456 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.841 9.910 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.762 11.398 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.616 10.548 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.466 12.251 0.663 1.00 0.00 H new ATOM 0 HE ARG A 91 9.204 12.009 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.439 8.723 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.800 8.072 0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.267 11.176 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.042 9.433 0.135 1.00 0.00 H new ATOM 1373 N LEU A 92 12.330 14.507 -2.970 1.00 0.00 N ATOM 1374 CA LEU A 92 13.379 15.526 -2.843 1.00 0.00 C ATOM 1375 C LEU A 92 12.837 16.787 -2.154 1.00 0.00 C ATOM 1376 O LEU A 92 13.460 17.283 -1.220 1.00 0.00 O ATOM 1377 CB LEU A 92 13.953 15.828 -4.240 1.00 0.00 C ATOM 1378 CG LEU A 92 15.076 16.882 -4.273 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.295 16.488 -3.440 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.521 17.060 -5.719 1.00 0.00 C ATOM 0 H LEU A 92 12.109 14.252 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 92 14.185 15.152 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.334 14.900 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.141 16.165 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 92 14.674 17.801 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.049 17.272 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.998 16.356 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.709 15.554 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.317 17.803 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.889 16.110 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.676 17.395 -6.321 1.00 0.00 H new ATOM 1392 N ARG A 93 11.654 17.271 -2.565 1.00 0.00 N ATOM 1393 CA ARG A 93 11.060 18.507 -2.033 1.00 0.00 C ATOM 1394 C ARG A 93 10.606 18.345 -0.580 1.00 0.00 C ATOM 1395 O ARG A 93 10.854 19.231 0.228 1.00 0.00 O ATOM 1396 CB ARG A 93 9.924 18.972 -2.968 1.00 0.00 C ATOM 1397 CG ARG A 93 9.657 20.480 -2.834 1.00 0.00 C ATOM 1398 CD ARG A 93 8.557 20.944 -3.801 1.00 0.00 C ATOM 1399 NE ARG A 93 8.631 22.404 -4.025 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.209 23.032 -5.037 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.769 22.405 -6.030 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.252 24.329 -5.091 1.00 0.00 N ATOM 0 H ARG A 93 11.082 16.815 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 93 11.821 19.287 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.185 18.739 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.013 18.419 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.363 20.709 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.575 21.032 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.659 20.421 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.579 20.683 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 93 8.187 22.993 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.775 21.385 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.202 22.933 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.835 24.885 -4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.703 24.792 -5.880 1.00 0.00 H new ATOM 1416 N GLU A 94 10.057 17.188 -0.212 1.00 0.00 N ATOM 1417 CA GLU A 94 9.765 16.856 1.194 1.00 0.00 C ATOM 1418 C GLU A 94 11.055 16.861 2.034 1.00 0.00 C ATOM 1419 O GLU A 94 11.150 17.584 3.028 1.00 0.00 O ATOM 1420 CB GLU A 94 9.093 15.474 1.291 1.00 0.00 C ATOM 1421 CG GLU A 94 7.667 15.444 0.726 1.00 0.00 C ATOM 1422 CD GLU A 94 7.028 14.048 0.880 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.639 13.035 0.455 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.910 13.950 1.440 1.00 0.00 O ATOM 0 H GLU A 94 9.801 16.453 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 94 9.086 17.614 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.702 14.745 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.068 15.164 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.055 16.185 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.686 15.723 -0.328 1.00 0.00 H new ATOM 1431 N ARG A 95 12.078 16.117 1.579 1.00 0.00 N ATOM 1432 CA ARG A 95 13.360 15.943 2.286 1.00 0.00 C ATOM 1433 C ARG A 95 14.080 17.272 2.540 1.00 0.00 C ATOM 1434 O ARG A 95 14.548 17.502 3.655 1.00 0.00 O ATOM 1435 CB ARG A 95 14.225 14.982 1.453 1.00 0.00 C ATOM 1436 CG ARG A 95 15.461 14.435 2.180 1.00 0.00 C ATOM 1437 CD ARG A 95 16.277 13.571 1.205 1.00 0.00 C ATOM 1438 NE ARG A 95 16.896 12.419 1.878 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.084 12.311 2.434 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.939 13.291 2.509 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.400 11.155 2.938 1.00 0.00 N ATOM 0 H ARG A 95 12.037 15.611 0.694 1.00 0.00 H new ATOM 0 HA ARG A 95 13.172 15.526 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.607 14.143 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.551 15.499 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.071 15.257 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.158 13.843 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.628 13.218 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.053 14.181 0.742 1.00 0.00 H new ATOM 0 HE ARG A 95 16.319 11.579 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.702 14.205 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.845 13.144 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.738 10.380 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.310 11.023 3.380 1.00 0.00 H new ATOM 1455 N VAL A 96 14.116 18.152 1.535 1.00 0.00 N ATOM 1456 CA VAL A 96 14.895 19.406 1.569 1.00 0.00 C ATOM 1457 C VAL A 96 14.096 20.641 2.020 1.00 0.00 C ATOM 1458 O VAL A 96 14.668 21.527 2.657 1.00 0.00 O ATOM 1459 CB VAL A 96 15.569 19.613 0.200 1.00 0.00 C ATOM 1460 CG1 VAL A 96 14.601 20.138 -0.862 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.762 20.571 0.262 1.00 0.00 C ATOM 0 H VAL A 96 13.602 18.018 0.664 1.00 0.00 H new ATOM 0 HA VAL A 96 15.656 19.296 2.342 1.00 0.00 H new ATOM 0 HB VAL A 96 15.916 18.619 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.131 20.265 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.787 19.426 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.195 21.098 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 17.196 20.677 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.428 21.546 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.513 20.173 0.945 1.00 0.00 H new ATOM 1471 N SER A 97 12.787 20.698 1.731 1.00 0.00 N ATOM 1472 CA SER A 97 11.937 21.889 1.925 1.00 0.00 C ATOM 1473 C SER A 97 10.720 21.661 2.840 1.00 0.00 C ATOM 1474 O SER A 97 10.058 22.635 3.207 1.00 0.00 O ATOM 1475 CB SER A 97 11.450 22.437 0.572 1.00 0.00 C ATOM 1476 OG SER A 97 12.538 22.820 -0.259 1.00 0.00 O ATOM 0 H SER A 97 12.277 19.902 1.348 1.00 0.00 H new ATOM 0 HA SER A 97 12.579 22.613 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.853 21.679 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.799 23.295 0.739 1.00 0.00 H new ATOM 0 HG SER A 97 12.195 23.162 -1.111 1.00 0.00 H new