USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 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 38 SER OG : rot -48:sc= 1.49 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -157:sc= 1.01 (180deg=0) USER MOD Set 2.1: A 25 THR OG1 : rot -70:sc= 1.87 USER MOD Set 2.2: A 27 SER OG : rot -110:sc= 1.17 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.53) USER MOD Single : A 36 MET CE :methyl -175:sc= -0.354 (180deg=-0.415) USER MOD Single : A 39 THR OG1 : rot -81:sc= 1.06 USER MOD Single : A 85 SER OG : rot -33: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=-0.43) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.363 3.295 -0.699 1.00 0.00 N ATOM 197 CA GLU A 13 14.018 3.066 -1.996 1.00 0.00 C ATOM 198 C GLU A 13 14.228 4.385 -2.763 1.00 0.00 C ATOM 199 O GLU A 13 15.291 4.605 -3.342 1.00 0.00 O ATOM 200 CB GLU A 13 13.184 2.093 -2.849 1.00 0.00 C ATOM 201 CG GLU A 13 12.922 0.738 -2.177 1.00 0.00 C ATOM 202 CD GLU A 13 12.104 -0.189 -3.097 1.00 0.00 C ATOM 203 OE1 GLU A 13 12.714 -0.932 -3.907 1.00 0.00 O ATOM 204 OE2 GLU A 13 10.850 -0.187 -3.015 1.00 0.00 O ATOM 0 HA GLU A 13 14.997 2.629 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.228 2.561 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.698 1.924 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.871 0.263 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.386 0.891 -1.240 1.00 0.00 H new ATOM 211 N VAL A 14 13.245 5.295 -2.717 1.00 0.00 N ATOM 212 CA VAL A 14 13.347 6.631 -3.339 1.00 0.00 C ATOM 213 C VAL A 14 14.305 7.535 -2.550 1.00 0.00 C ATOM 214 O VAL A 14 15.106 8.248 -3.149 1.00 0.00 O ATOM 215 CB VAL A 14 11.960 7.292 -3.502 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.057 8.598 -4.303 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.978 6.386 -4.256 1.00 0.00 C ATOM 0 H VAL A 14 12.354 5.129 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 14 13.760 6.496 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 14 11.602 7.479 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.065 9.039 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.715 9.295 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.460 8.388 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.016 6.890 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.371 6.170 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.848 5.453 -3.707 1.00 0.00 H new ATOM 227 N ASP A 15 14.284 7.467 -1.215 1.00 0.00 N ATOM 228 CA ASP A 15 15.239 8.178 -0.360 1.00 0.00 C ATOM 229 C ASP A 15 16.692 7.724 -0.615 1.00 0.00 C ATOM 230 O ASP A 15 17.584 8.557 -0.784 1.00 0.00 O ATOM 231 CB ASP A 15 14.848 7.967 1.106 1.00 0.00 C ATOM 232 CG ASP A 15 15.683 8.867 2.026 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.815 8.492 2.411 1.00 0.00 O ATOM 234 OD2 ASP A 15 15.226 9.987 2.342 1.00 0.00 O ATOM 0 H ASP A 15 13.601 6.915 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 15 15.199 9.240 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.788 8.185 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.995 6.922 1.380 1.00 0.00 H new ATOM 239 N GLU A 16 16.916 6.411 -0.724 1.00 0.00 N ATOM 240 CA GLU A 16 18.207 5.829 -1.102 1.00 0.00 C ATOM 241 C GLU A 16 18.636 6.237 -2.521 1.00 0.00 C ATOM 242 O GLU A 16 19.800 6.571 -2.725 1.00 0.00 O ATOM 243 CB GLU A 16 18.128 4.298 -0.961 1.00 0.00 C ATOM 244 CG GLU A 16 19.418 3.600 -1.411 1.00 0.00 C ATOM 245 CD GLU A 16 19.369 2.091 -1.103 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.885 1.307 -1.955 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.824 1.674 -0.009 1.00 0.00 O ATOM 0 H GLU A 16 16.194 5.712 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 16 18.972 6.218 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.924 4.042 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.291 3.925 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.563 3.751 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.273 4.050 -0.907 1.00 0.00 H new ATOM 254 N ALA A 17 17.717 6.262 -3.494 1.00 0.00 N ATOM 255 CA ALA A 17 18.032 6.694 -4.857 1.00 0.00 C ATOM 256 C ALA A 17 18.440 8.185 -4.901 1.00 0.00 C ATOM 257 O ALA A 17 19.418 8.547 -5.562 1.00 0.00 O ATOM 258 CB ALA A 17 16.834 6.404 -5.770 1.00 0.00 C ATOM 0 H ALA A 17 16.744 5.986 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 17 18.892 6.130 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.065 6.724 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.624 5.334 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.961 6.947 -5.408 1.00 0.00 H new ATOM 264 N ILE A 18 17.744 9.037 -4.139 1.00 0.00 N ATOM 265 CA ILE A 18 18.111 10.447 -3.944 1.00 0.00 C ATOM 266 C ILE A 18 19.506 10.571 -3.310 1.00 0.00 C ATOM 267 O ILE A 18 20.337 11.325 -3.814 1.00 0.00 O ATOM 268 CB ILE A 18 17.005 11.161 -3.126 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.799 11.450 -4.050 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.514 12.449 -2.446 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.509 11.831 -3.310 1.00 0.00 C ATOM 0 H ILE A 18 16.900 8.765 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 18 18.178 10.947 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 18 16.694 10.499 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.065 12.258 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.606 10.568 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.701 12.911 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.329 12.203 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.872 13.144 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.715 12.016 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.214 11.016 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.680 12.732 -2.721 1.00 0.00 H new ATOM 283 N ASP A 19 19.808 9.803 -2.259 1.00 0.00 N ATOM 284 CA ASP A 19 21.127 9.828 -1.615 1.00 0.00 C ATOM 285 C ASP A 19 22.249 9.286 -2.526 1.00 0.00 C ATOM 286 O ASP A 19 23.362 9.813 -2.531 1.00 0.00 O ATOM 287 CB ASP A 19 21.065 9.044 -0.295 1.00 0.00 C ATOM 288 CG ASP A 19 21.932 9.712 0.782 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.419 10.655 1.434 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.090 9.283 0.993 1.00 0.00 O ATOM 0 H ASP A 19 19.151 9.150 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 19 21.378 10.869 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.032 8.985 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.405 8.022 -0.459 1.00 0.00 H new ATOM 295 N ASN A 20 21.948 8.282 -3.357 1.00 0.00 N ATOM 296 CA ASN A 20 22.866 7.760 -4.364 1.00 0.00 C ATOM 297 C ASN A 20 23.173 8.800 -5.460 1.00 0.00 C ATOM 298 O ASN A 20 24.338 8.958 -5.824 1.00 0.00 O ATOM 299 CB ASN A 20 22.273 6.464 -4.944 1.00 0.00 C ATOM 300 CG ASN A 20 23.186 5.842 -5.990 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.010 6.022 -7.185 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.194 5.102 -5.579 1.00 0.00 N ATOM 0 H ASN A 20 21.046 7.806 -3.345 1.00 0.00 H new ATOM 0 HA ASN A 20 23.825 7.537 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.104 5.750 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.302 6.677 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.827 4.680 -6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.342 4.951 -4.581 1.00 0.00 H new ATOM 309 N ILE A 21 22.174 9.564 -5.924 1.00 0.00 N ATOM 310 CA ILE A 21 22.384 10.689 -6.857 1.00 0.00 C ATOM 311 C ILE A 21 23.207 11.803 -6.199 1.00 0.00 C ATOM 312 O ILE A 21 24.163 12.297 -6.799 1.00 0.00 O ATOM 313 CB ILE A 21 21.031 11.201 -7.406 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.489 10.201 -8.451 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.183 12.599 -8.036 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.987 10.360 -8.724 1.00 0.00 C ATOM 0 H ILE A 21 21.197 9.423 -5.666 1.00 0.00 H new ATOM 0 HA ILE A 21 22.963 10.333 -7.709 1.00 0.00 H new ATOM 0 HB ILE A 21 20.326 11.281 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 21 21.036 10.330 -9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.683 9.185 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.217 12.935 -8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.542 13.300 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.898 12.552 -8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.673 9.627 -9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.431 10.202 -7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.790 11.364 -9.099 1.00 0.00 H new ATOM 328 N LEU A 22 22.873 12.168 -4.959 1.00 0.00 N ATOM 329 CA LEU A 22 23.590 13.172 -4.168 1.00 0.00 C ATOM 330 C LEU A 22 25.087 12.819 -4.027 1.00 0.00 C ATOM 331 O LEU A 22 25.952 13.669 -4.249 1.00 0.00 O ATOM 332 CB LEU A 22 22.869 13.243 -2.808 1.00 0.00 C ATOM 333 CG LEU A 22 23.413 14.275 -1.812 1.00 0.00 C ATOM 334 CD1 LEU A 22 23.085 15.696 -2.263 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.779 14.033 -0.442 1.00 0.00 C ATOM 0 H LEU A 22 22.077 11.764 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 22 23.576 14.147 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.816 13.461 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.916 12.258 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 22 24.496 14.165 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.482 16.408 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.535 15.881 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 22 22.004 15.815 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.162 14.764 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.696 14.134 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.026 13.028 -0.099 1.00 0.00 H new ATOM 347 N ARG A 23 25.393 11.545 -3.737 1.00 0.00 N ATOM 348 CA ARG A 23 26.769 11.026 -3.649 1.00 0.00 C ATOM 349 C ARG A 23 27.460 10.954 -5.018 1.00 0.00 C ATOM 350 O ARG A 23 28.578 11.443 -5.158 1.00 0.00 O ATOM 351 CB ARG A 23 26.738 9.663 -2.929 1.00 0.00 C ATOM 352 CG ARG A 23 28.142 9.124 -2.615 1.00 0.00 C ATOM 353 CD ARG A 23 28.062 7.831 -1.790 1.00 0.00 C ATOM 354 NE ARG A 23 29.409 7.304 -1.490 1.00 0.00 N ATOM 355 CZ ARG A 23 29.700 6.237 -0.764 1.00 0.00 C ATOM 356 NH1 ARG A 23 28.778 5.501 -0.207 1.00 0.00 N ATOM 357 NH2 ARG A 23 30.938 5.883 -0.579 1.00 0.00 N ATOM 0 H ARG A 23 24.683 10.836 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 23 27.374 11.721 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.175 9.760 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.207 8.941 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.679 8.934 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.710 9.875 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.528 8.023 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.489 7.082 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 23 30.198 7.817 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.794 5.741 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.041 4.685 0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 23 31.692 6.429 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.154 5.059 -0.018 1.00 0.00 H new ATOM 371 N TYR A 24 26.781 10.426 -6.042 1.00 0.00 N ATOM 372 CA TYR A 24 27.306 10.307 -7.413 1.00 0.00 C ATOM 373 C TYR A 24 27.696 11.667 -8.014 1.00 0.00 C ATOM 374 O TYR A 24 28.760 11.798 -8.625 1.00 0.00 O ATOM 375 CB TYR A 24 26.246 9.616 -8.285 1.00 0.00 C ATOM 376 CG TYR A 24 26.521 9.646 -9.779 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.628 8.956 -10.311 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.677 10.385 -10.636 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.899 9.012 -11.692 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.943 10.438 -12.018 1.00 0.00 C ATOM 381 CZ TYR A 24 27.056 9.754 -12.551 1.00 0.00 C ATOM 382 OH TYR A 24 27.311 9.813 -13.888 1.00 0.00 O ATOM 0 H TYR A 24 25.833 10.062 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 24 28.219 9.713 -7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.159 8.577 -7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.281 10.088 -8.099 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.270 8.383 -9.659 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.825 10.911 -10.231 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.752 8.487 -12.096 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.294 11.003 -12.671 1.00 0.00 H new ATOM 0 HH TYR A 24 26.631 10.365 -14.327 1.00 0.00 H new ATOM 392 N THR A 25 26.874 12.698 -7.789 1.00 0.00 N ATOM 393 CA THR A 25 27.146 14.068 -8.265 1.00 0.00 C ATOM 394 C THR A 25 28.010 14.904 -7.311 1.00 0.00 C ATOM 395 O THR A 25 28.344 16.039 -7.647 1.00 0.00 O ATOM 396 CB THR A 25 25.856 14.818 -8.634 1.00 0.00 C ATOM 397 OG1 THR A 25 25.033 14.949 -7.499 1.00 0.00 O ATOM 398 CG2 THR A 25 25.042 14.108 -9.716 1.00 0.00 C ATOM 0 H THR A 25 25.999 12.611 -7.272 1.00 0.00 H new ATOM 0 HA THR A 25 27.738 13.934 -9.170 1.00 0.00 H new ATOM 0 HB THR A 25 26.170 15.789 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.672 14.072 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.144 14.686 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.642 14.016 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.759 13.115 -9.366 1.00 0.00 H new ATOM 406 N ASN A 26 28.400 14.356 -6.150 1.00 0.00 N ATOM 407 CA ASN A 26 29.203 15.032 -5.113 1.00 0.00 C ATOM 408 C ASN A 26 28.633 16.415 -4.706 1.00 0.00 C ATOM 409 O ASN A 26 29.369 17.358 -4.400 1.00 0.00 O ATOM 410 CB ASN A 26 30.695 15.042 -5.512 1.00 0.00 C ATOM 411 CG ASN A 26 31.308 13.650 -5.550 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.778 13.129 -4.548 1.00 0.00 O ATOM 413 ND2 ASN A 26 31.345 13.006 -6.697 1.00 0.00 N ATOM 0 H ASN A 26 28.158 13.398 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 26 29.132 14.452 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.800 15.507 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.251 15.659 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.764 12.077 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.955 13.435 -7.536 1.00 0.00 H new ATOM 420 N SER A 27 27.302 16.533 -4.737 1.00 0.00 N ATOM 421 CA SER A 27 26.568 17.801 -4.617 1.00 0.00 C ATOM 422 C SER A 27 25.962 18.041 -3.225 1.00 0.00 C ATOM 423 O SER A 27 26.027 17.182 -2.341 1.00 0.00 O ATOM 424 CB SER A 27 25.470 17.817 -5.686 1.00 0.00 C ATOM 425 OG SER A 27 24.585 16.728 -5.490 1.00 0.00 O ATOM 0 H SER A 27 26.686 15.728 -4.849 1.00 0.00 H new ATOM 0 HA SER A 27 27.281 18.612 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.919 18.756 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.917 17.759 -6.679 1.00 0.00 H new ATOM 0 HG SER A 27 24.708 16.073 -6.209 1.00 0.00 H new ATOM 431 N THR A 28 25.379 19.228 -3.026 1.00 0.00 N ATOM 432 CA THR A 28 24.537 19.532 -1.855 1.00 0.00 C ATOM 433 C THR A 28 23.070 19.237 -2.174 1.00 0.00 C ATOM 434 O THR A 28 22.636 19.302 -3.327 1.00 0.00 O ATOM 435 CB THR A 28 24.694 20.981 -1.354 1.00 0.00 C ATOM 436 OG1 THR A 28 24.042 21.876 -2.228 1.00 0.00 O ATOM 437 CG2 THR A 28 26.147 21.428 -1.237 1.00 0.00 C ATOM 0 H THR A 28 25.476 20.011 -3.673 1.00 0.00 H new ATOM 0 HA THR A 28 24.878 18.886 -1.046 1.00 0.00 H new ATOM 0 HB THR A 28 24.248 20.995 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.148 22.792 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.183 22.457 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.671 20.781 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.626 21.366 -2.214 1.00 0.00 H new ATOM 445 N GLU A 29 22.262 18.962 -1.147 1.00 0.00 N ATOM 446 CA GLU A 29 20.826 18.703 -1.339 1.00 0.00 C ATOM 447 C GLU A 29 20.078 19.931 -1.876 1.00 0.00 C ATOM 448 O GLU A 29 19.159 19.785 -2.681 1.00 0.00 O ATOM 449 CB GLU A 29 20.211 18.218 -0.021 1.00 0.00 C ATOM 450 CG GLU A 29 20.655 16.791 0.312 1.00 0.00 C ATOM 451 CD GLU A 29 19.822 16.187 1.458 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.956 16.639 2.621 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.046 15.235 1.194 1.00 0.00 O ATOM 0 H GLU A 29 22.572 18.912 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 29 20.723 17.924 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.503 18.889 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.124 18.256 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.561 16.165 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.709 16.794 0.591 1.00 0.00 H new ATOM 460 N GLN A 30 20.519 21.144 -1.512 1.00 0.00 N ATOM 461 CA GLN A 30 19.961 22.385 -2.065 1.00 0.00 C ATOM 462 C GLN A 30 20.295 22.546 -3.559 1.00 0.00 C ATOM 463 O GLN A 30 19.422 22.920 -4.338 1.00 0.00 O ATOM 464 CB GLN A 30 20.453 23.597 -1.254 1.00 0.00 C ATOM 465 CG GLN A 30 19.904 23.598 0.184 1.00 0.00 C ATOM 466 CD GLN A 30 20.288 24.869 0.942 1.00 0.00 C ATOM 467 OE1 GLN A 30 19.523 25.818 1.051 1.00 0.00 O ATOM 468 NE2 GLN A 30 21.486 24.949 1.485 1.00 0.00 N ATOM 0 H GLN A 30 21.265 21.291 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 30 18.875 22.329 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.543 23.594 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.150 24.515 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.818 23.505 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.285 22.728 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.136 24.167 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.763 25.793 1.987 1.00 0.00 H new ATOM 477 N GLN A 31 21.518 22.198 -3.986 1.00 0.00 N ATOM 478 CA GLN A 31 21.895 22.225 -5.409 1.00 0.00 C ATOM 479 C GLN A 31 21.137 21.165 -6.224 1.00 0.00 C ATOM 480 O GLN A 31 20.673 21.464 -7.324 1.00 0.00 O ATOM 481 CB GLN A 31 23.418 22.058 -5.558 1.00 0.00 C ATOM 482 CG GLN A 31 24.207 23.312 -5.128 1.00 0.00 C ATOM 483 CD GLN A 31 24.099 24.492 -6.102 1.00 0.00 C ATOM 484 OE1 GLN A 31 23.565 24.411 -7.199 1.00 0.00 O ATOM 485 NE2 GLN A 31 24.629 25.643 -5.744 1.00 0.00 N ATOM 0 H GLN A 31 22.267 21.893 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 31 21.609 23.196 -5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.745 21.207 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.653 21.826 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.852 23.632 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 31 25.258 23.045 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.080 25.736 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.588 26.442 -6.377 1.00 0.00 H new ATOM 494 N PHE A 32 20.939 19.954 -5.687 1.00 0.00 N ATOM 495 CA PHE A 32 20.126 18.927 -6.355 1.00 0.00 C ATOM 496 C PHE A 32 18.644 19.331 -6.449 1.00 0.00 C ATOM 497 O PHE A 32 18.048 19.218 -7.522 1.00 0.00 O ATOM 498 CB PHE A 32 20.316 17.565 -5.657 1.00 0.00 C ATOM 499 CG PHE A 32 19.592 16.368 -6.270 1.00 0.00 C ATOM 500 CD1 PHE A 32 19.221 16.325 -7.632 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.309 15.257 -5.451 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.525 15.215 -8.147 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.627 14.142 -5.974 1.00 0.00 C ATOM 504 CZ PHE A 32 18.210 14.131 -7.312 1.00 0.00 C ATOM 0 H PHE A 32 21.330 19.661 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 32 20.475 18.832 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.383 17.341 -5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.989 17.666 -4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.473 17.149 -8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.617 15.261 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.233 15.197 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.424 13.291 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.649 13.293 -7.699 1.00 0.00 H new ATOM 514 N LEU A 33 18.063 19.884 -5.377 1.00 0.00 N ATOM 515 CA LEU A 33 16.694 20.418 -5.388 1.00 0.00 C ATOM 516 C LEU A 33 16.539 21.544 -6.420 1.00 0.00 C ATOM 517 O LEU A 33 15.597 21.524 -7.204 1.00 0.00 O ATOM 518 CB LEU A 33 16.313 20.825 -3.948 1.00 0.00 C ATOM 519 CG LEU A 33 14.885 21.340 -3.661 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.627 22.766 -4.149 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.792 20.423 -4.217 1.00 0.00 C ATOM 0 H LEU A 33 18.530 19.974 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 33 15.989 19.653 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.484 19.960 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.011 21.600 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 33 14.833 21.340 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.603 23.053 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.319 23.450 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.774 22.814 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.813 20.840 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.902 20.341 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.883 19.434 -3.767 1.00 0.00 H new ATOM 533 N GLU A 34 17.488 22.475 -6.488 1.00 0.00 N ATOM 534 CA GLU A 34 17.462 23.576 -7.462 1.00 0.00 C ATOM 535 C GLU A 34 17.604 23.094 -8.917 1.00 0.00 C ATOM 536 O GLU A 34 16.871 23.554 -9.793 1.00 0.00 O ATOM 537 CB GLU A 34 18.534 24.614 -7.088 1.00 0.00 C ATOM 538 CG GLU A 34 18.421 25.890 -7.932 1.00 0.00 C ATOM 539 CD GLU A 34 19.392 26.976 -7.432 1.00 0.00 C ATOM 540 OE1 GLU A 34 19.065 27.678 -6.441 1.00 0.00 O ATOM 541 OE2 GLU A 34 20.477 27.158 -8.036 1.00 0.00 O ATOM 0 H GLU A 34 18.300 22.492 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 34 16.480 24.047 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.439 24.868 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.524 24.177 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.635 25.659 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.399 26.266 -7.892 1.00 0.00 H new ATOM 548 N ALA A 35 18.477 22.117 -9.173 1.00 0.00 N ATOM 549 CA ALA A 35 18.613 21.486 -10.490 1.00 0.00 C ATOM 550 C ALA A 35 17.318 20.766 -10.913 1.00 0.00 C ATOM 551 O ALA A 35 16.872 20.917 -12.048 1.00 0.00 O ATOM 552 CB ALA A 35 19.828 20.543 -10.465 1.00 0.00 C ATOM 0 H ALA A 35 19.113 21.739 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 35 18.782 22.254 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.940 20.067 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.727 21.114 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.679 19.778 -9.703 1.00 0.00 H new ATOM 558 N MET A 36 16.666 20.057 -9.992 1.00 0.00 N ATOM 559 CA MET A 36 15.363 19.415 -10.222 1.00 0.00 C ATOM 560 C MET A 36 14.224 20.430 -10.413 1.00 0.00 C ATOM 561 O MET A 36 13.380 20.235 -11.283 1.00 0.00 O ATOM 562 CB MET A 36 15.083 18.463 -9.053 1.00 0.00 C ATOM 563 CG MET A 36 15.896 17.173 -9.192 1.00 0.00 C ATOM 564 SD MET A 36 15.241 16.011 -10.422 1.00 0.00 S ATOM 565 CE MET A 36 13.853 15.332 -9.477 1.00 0.00 C ATOM 0 H MET A 36 17.029 19.908 -9.051 1.00 0.00 H new ATOM 0 HA MET A 36 15.407 18.855 -11.156 1.00 0.00 H new ATOM 0 HB2 MET A 36 15.330 18.954 -8.112 1.00 0.00 H new ATOM 0 HB3 MET A 36 14.020 18.226 -9.019 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.921 17.430 -9.460 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.935 16.675 -8.223 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.383 14.530 -10.046 1.00 0.00 H new ATOM 0 HE2 MET A 36 14.217 14.938 -8.528 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.123 16.119 -9.287 1.00 0.00 H new ATOM 575 N GLU A 37 14.222 21.540 -9.677 1.00 0.00 N ATOM 576 CA GLU A 37 13.237 22.619 -9.839 1.00 0.00 C ATOM 577 C GLU A 37 13.362 23.296 -11.216 1.00 0.00 C ATOM 578 O GLU A 37 12.356 23.531 -11.889 1.00 0.00 O ATOM 579 CB GLU A 37 13.431 23.635 -8.697 1.00 0.00 C ATOM 580 CG GLU A 37 12.292 24.652 -8.550 1.00 0.00 C ATOM 581 CD GLU A 37 11.105 24.060 -7.764 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.345 23.224 -8.309 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.920 24.407 -6.574 1.00 0.00 O ATOM 0 H GLU A 37 14.908 21.722 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 37 12.232 22.201 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.539 23.091 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.364 24.174 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.661 25.542 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.955 24.968 -9.537 1.00 0.00 H new ATOM 590 N SER A 38 14.599 23.546 -11.671 1.00 0.00 N ATOM 591 CA SER A 38 14.874 24.190 -12.968 1.00 0.00 C ATOM 592 C SER A 38 14.527 23.325 -14.191 1.00 0.00 C ATOM 593 O SER A 38 14.272 23.840 -15.280 1.00 0.00 O ATOM 594 CB SER A 38 16.348 24.591 -13.031 1.00 0.00 C ATOM 595 OG SER A 38 17.179 23.496 -13.392 1.00 0.00 O ATOM 0 H SER A 38 15.442 23.307 -11.149 1.00 0.00 H new ATOM 0 HA SER A 38 14.221 25.062 -13.019 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.475 25.397 -13.754 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.660 24.980 -12.062 1.00 0.00 H new ATOM 0 HG SER A 38 16.946 22.715 -12.847 1.00 0.00 H new ATOM 601 N THR A 39 14.518 22.002 -13.997 1.00 0.00 N ATOM 602 CA THR A 39 14.246 20.993 -15.046 1.00 0.00 C ATOM 603 C THR A 39 12.832 20.398 -14.984 1.00 0.00 C ATOM 604 O THR A 39 12.469 19.591 -15.840 1.00 0.00 O ATOM 605 CB THR A 39 15.280 19.859 -15.006 1.00 0.00 C ATOM 606 OG1 THR A 39 15.309 19.292 -13.722 1.00 0.00 O ATOM 607 CG2 THR A 39 16.691 20.342 -15.328 1.00 0.00 C ATOM 0 H THR A 39 14.704 21.585 -13.085 1.00 0.00 H new ATOM 0 HA THR A 39 14.324 21.534 -15.989 1.00 0.00 H new ATOM 0 HB THR A 39 14.977 19.133 -15.761 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.854 19.851 -13.130 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.382 19.500 -15.286 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.708 20.776 -16.328 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.992 21.096 -14.601 1.00 0.00 H new ATOM 615 N GLY A 40 12.023 20.770 -13.982 1.00 0.00 N ATOM 616 CA GLY A 40 10.670 20.225 -13.793 1.00 0.00 C ATOM 617 C GLY A 40 10.655 18.763 -13.320 1.00 0.00 C ATOM 618 O GLY A 40 9.715 18.025 -13.614 1.00 0.00 O ATOM 0 H GLY A 40 12.288 21.459 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.139 20.839 -13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.123 20.299 -14.733 1.00 0.00 H new ATOM 622 N GLY A 41 11.708 18.330 -12.616 1.00 0.00 N ATOM 623 CA GLY A 41 11.837 16.968 -12.086 1.00 0.00 C ATOM 624 C GLY A 41 12.383 15.932 -13.069 1.00 0.00 C ATOM 625 O GLY A 41 12.292 14.736 -12.794 1.00 0.00 O ATOM 0 H GLY A 41 12.506 18.925 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.490 16.996 -11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.858 16.636 -11.741 1.00 0.00 H new ATOM 629 N ARG A 42 12.968 16.341 -14.205 1.00 0.00 N ATOM 630 CA ARG A 42 13.607 15.406 -15.157 1.00 0.00 C ATOM 631 C ARG A 42 14.977 14.989 -14.625 1.00 0.00 C ATOM 632 O ARG A 42 15.974 15.647 -14.900 1.00 0.00 O ATOM 633 CB ARG A 42 13.684 16.044 -16.568 1.00 0.00 C ATOM 634 CG ARG A 42 12.501 15.661 -17.474 1.00 0.00 C ATOM 635 CD ARG A 42 12.580 14.199 -17.954 1.00 0.00 C ATOM 636 NE ARG A 42 11.486 13.882 -18.896 1.00 0.00 N ATOM 637 CZ ARG A 42 11.191 12.695 -19.405 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.885 11.626 -19.133 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.179 12.542 -20.206 1.00 0.00 N ATOM 0 H ARG A 42 13.014 17.319 -14.492 1.00 0.00 H new ATOM 0 HA ARG A 42 13.004 14.503 -15.253 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.719 17.129 -16.467 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.614 15.738 -17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.567 15.813 -16.932 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.479 16.324 -18.339 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.541 14.025 -18.438 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.529 13.529 -17.096 1.00 0.00 H new ATOM 0 HE ARG A 42 10.895 14.661 -19.185 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.688 11.685 -18.507 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.625 10.730 -19.546 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.598 13.343 -20.452 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.966 11.621 -20.589 1.00 0.00 H new ATOM 653 N VAL A 43 15.029 13.867 -13.902 1.00 0.00 N ATOM 654 CA VAL A 43 16.226 13.424 -13.145 1.00 0.00 C ATOM 655 C VAL A 43 17.478 13.363 -14.023 1.00 0.00 C ATOM 656 O VAL A 43 18.508 13.884 -13.616 1.00 0.00 O ATOM 657 CB VAL A 43 15.973 12.073 -12.433 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.160 11.653 -11.556 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.746 12.134 -11.512 1.00 0.00 C ATOM 0 H VAL A 43 14.239 13.227 -13.818 1.00 0.00 H new ATOM 0 HA VAL A 43 16.412 14.177 -12.380 1.00 0.00 H new ATOM 0 HB VAL A 43 15.817 11.352 -13.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.938 10.700 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.051 11.549 -12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.335 12.411 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.603 11.166 -11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.901 12.898 -10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.862 12.381 -12.100 1.00 0.00 H new ATOM 669 N ARG A 44 17.391 12.859 -15.262 1.00 0.00 N ATOM 670 CA ARG A 44 18.545 12.800 -16.189 1.00 0.00 C ATOM 671 C ARG A 44 19.112 14.182 -16.548 1.00 0.00 C ATOM 672 O ARG A 44 20.320 14.388 -16.520 1.00 0.00 O ATOM 673 CB ARG A 44 18.208 11.929 -17.420 1.00 0.00 C ATOM 674 CG ARG A 44 17.150 12.497 -18.392 1.00 0.00 C ATOM 675 CD ARG A 44 16.800 11.494 -19.502 1.00 0.00 C ATOM 676 NE ARG A 44 17.948 11.237 -20.403 1.00 0.00 N ATOM 677 CZ ARG A 44 18.070 10.249 -21.277 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.143 9.347 -21.444 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.140 10.151 -22.014 1.00 0.00 N ATOM 0 H ARG A 44 16.528 12.482 -15.654 1.00 0.00 H new ATOM 0 HA ARG A 44 19.364 12.310 -15.662 1.00 0.00 H new ATOM 0 HB2 ARG A 44 19.128 11.756 -17.979 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.862 10.958 -17.067 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.248 12.755 -17.837 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.524 13.418 -18.839 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.475 10.556 -19.053 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.961 11.876 -20.084 1.00 0.00 H new ATOM 0 HE ARG A 44 18.728 11.891 -20.344 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.287 9.387 -20.891 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.274 8.601 -22.127 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.889 10.837 -21.920 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.229 9.388 -22.685 1.00 0.00 H new ATOM 693 N ILE A 45 18.228 15.156 -16.789 1.00 0.00 N ATOM 694 CA ILE A 45 18.618 16.545 -17.124 1.00 0.00 C ATOM 695 C ILE A 45 19.127 17.255 -15.861 1.00 0.00 C ATOM 696 O ILE A 45 20.103 18.001 -15.913 1.00 0.00 O ATOM 697 CB ILE A 45 17.456 17.317 -17.804 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.859 16.527 -18.996 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.956 18.691 -18.299 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.695 17.218 -19.717 1.00 0.00 C ATOM 0 H ILE A 45 17.219 15.011 -16.759 1.00 0.00 H new ATOM 0 HA ILE A 45 19.429 16.519 -17.852 1.00 0.00 H new ATOM 0 HB ILE A 45 16.671 17.451 -17.060 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.652 16.336 -19.719 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.518 15.557 -18.634 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.135 19.227 -18.775 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.325 19.270 -17.453 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.761 18.547 -19.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.347 16.587 -20.535 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.879 17.384 -19.014 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.031 18.175 -20.116 1.00 0.00 H new ATOM 712 N ALA A 46 18.519 16.973 -14.703 1.00 0.00 N ATOM 713 CA ALA A 46 18.930 17.537 -13.419 1.00 0.00 C ATOM 714 C ALA A 46 20.335 17.069 -13.023 1.00 0.00 C ATOM 715 O ALA A 46 21.183 17.906 -12.731 1.00 0.00 O ATOM 716 CB ALA A 46 17.881 17.175 -12.361 1.00 0.00 C ATOM 0 H ALA A 46 17.721 16.341 -14.634 1.00 0.00 H new ATOM 0 HA ALA A 46 18.987 18.622 -13.501 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.177 17.591 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.914 17.586 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.805 16.091 -12.280 1.00 0.00 H new ATOM 722 N ILE A 47 20.633 15.764 -13.097 1.00 0.00 N ATOM 723 CA ILE A 47 21.983 15.253 -12.798 1.00 0.00 C ATOM 724 C ILE A 47 22.999 15.694 -13.861 1.00 0.00 C ATOM 725 O ILE A 47 24.116 16.057 -13.505 1.00 0.00 O ATOM 726 CB ILE A 47 22.015 13.733 -12.513 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.753 12.870 -13.766 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.055 13.414 -11.354 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.725 11.359 -13.510 1.00 0.00 C ATOM 0 H ILE A 47 19.961 15.043 -13.360 1.00 0.00 H new ATOM 0 HA ILE A 47 22.291 15.713 -11.859 1.00 0.00 H new ATOM 0 HB ILE A 47 23.027 13.464 -12.212 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.800 13.168 -14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.524 13.085 -14.506 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.074 12.343 -11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.366 13.959 -10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.043 13.713 -11.627 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.535 10.835 -14.447 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.685 11.041 -13.104 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.935 11.125 -12.797 1.00 0.00 H new ATOM 741 N ALA A 48 22.603 15.780 -15.140 1.00 0.00 N ATOM 742 CA ALA A 48 23.447 16.365 -16.187 1.00 0.00 C ATOM 743 C ALA A 48 23.841 17.825 -15.892 1.00 0.00 C ATOM 744 O ALA A 48 25.023 18.158 -15.962 1.00 0.00 O ATOM 745 CB ALA A 48 22.707 16.236 -17.525 1.00 0.00 C ATOM 0 H ALA A 48 21.698 15.449 -15.473 1.00 0.00 H new ATOM 0 HA ALA A 48 24.390 15.819 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.316 16.665 -18.321 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.521 15.183 -17.738 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.757 16.768 -17.468 1.00 0.00 H new ATOM 751 N LYS A 49 22.885 18.678 -15.479 1.00 0.00 N ATOM 752 CA LYS A 49 23.144 20.071 -15.073 1.00 0.00 C ATOM 753 C LYS A 49 23.985 20.151 -13.792 1.00 0.00 C ATOM 754 O LYS A 49 24.937 20.922 -13.706 1.00 0.00 O ATOM 755 CB LYS A 49 21.784 20.776 -14.939 1.00 0.00 C ATOM 756 CG LYS A 49 21.912 22.256 -14.540 1.00 0.00 C ATOM 757 CD LYS A 49 20.540 22.944 -14.457 1.00 0.00 C ATOM 758 CE LYS A 49 19.911 23.176 -15.842 1.00 0.00 C ATOM 759 NZ LYS A 49 18.717 24.069 -15.757 1.00 0.00 N ATOM 0 H LYS A 49 21.901 18.416 -15.417 1.00 0.00 H new ATOM 0 HA LYS A 49 23.743 20.579 -15.829 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.249 20.706 -15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.183 20.255 -14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.415 22.331 -13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.536 22.776 -15.267 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.867 22.334 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.647 23.901 -13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.651 23.618 -16.510 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.621 22.219 -16.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.102 23.905 -16.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.191 23.863 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.026 25.062 -15.749 1.00 0.00 H new ATOM 773 N LEU A 50 23.671 19.304 -12.811 1.00 0.00 N ATOM 774 CA LEU A 50 24.372 19.236 -11.528 1.00 0.00 C ATOM 775 C LEU A 50 25.843 18.813 -11.692 1.00 0.00 C ATOM 776 O LEU A 50 26.692 19.246 -10.918 1.00 0.00 O ATOM 777 CB LEU A 50 23.559 18.283 -10.637 1.00 0.00 C ATOM 778 CG LEU A 50 23.868 18.268 -9.136 1.00 0.00 C ATOM 779 CD1 LEU A 50 23.699 19.649 -8.503 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.867 17.322 -8.471 1.00 0.00 C ATOM 0 H LEU A 50 22.907 18.633 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 50 24.433 20.219 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 50 22.504 18.529 -10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.696 17.271 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 50 24.902 17.953 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.928 19.592 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.377 20.355 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.671 19.987 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.057 17.286 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.853 17.682 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.976 16.323 -8.892 1.00 0.00 H new ATOM 792 N LEU A 51 26.160 18.018 -12.723 1.00 0.00 N ATOM 793 CA LEU A 51 27.542 17.716 -13.127 1.00 0.00 C ATOM 794 C LEU A 51 28.169 18.824 -13.991 1.00 0.00 C ATOM 795 O LEU A 51 29.319 19.183 -13.747 1.00 0.00 O ATOM 796 CB LEU A 51 27.578 16.364 -13.861 1.00 0.00 C ATOM 797 CG LEU A 51 27.281 15.142 -12.974 1.00 0.00 C ATOM 798 CD1 LEU A 51 27.074 13.905 -13.852 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.424 14.841 -12.002 1.00 0.00 C ATOM 0 H LEU A 51 25.458 17.562 -13.306 1.00 0.00 H new ATOM 0 HA LEU A 51 28.145 17.660 -12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.854 16.389 -14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.562 16.237 -14.313 1.00 0.00 H new ATOM 0 HG LEU A 51 26.384 15.377 -12.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.864 13.042 -13.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.235 14.074 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.976 13.717 -14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.168 13.971 -11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.335 14.637 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.584 15.700 -11.351 1.00 0.00 H new ATOM 1252 N SER A 85 9.197 11.396 -12.686 1.00 0.00 N ATOM 1253 CA SER A 85 9.716 12.758 -12.488 1.00 0.00 C ATOM 1254 C SER A 85 9.024 13.507 -11.349 1.00 0.00 C ATOM 1255 O SER A 85 9.694 14.041 -10.463 1.00 0.00 O ATOM 1256 CB SER A 85 9.590 13.551 -13.797 1.00 0.00 C ATOM 1257 OG SER A 85 8.272 13.455 -14.321 1.00 0.00 O ATOM 0 HA SER A 85 10.764 12.663 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.840 14.597 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.305 13.172 -14.527 1.00 0.00 H new ATOM 0 HG SER A 85 7.897 12.576 -14.104 1.00 0.00 H new ATOM 1263 N GLN A 86 7.689 13.512 -11.328 1.00 0.00 N ATOM 1264 CA GLN A 86 6.905 14.201 -10.300 1.00 0.00 C ATOM 1265 C GLN A 86 6.980 13.498 -8.937 1.00 0.00 C ATOM 1266 O GLN A 86 7.099 14.176 -7.919 1.00 0.00 O ATOM 1267 CB GLN A 86 5.445 14.368 -10.765 1.00 0.00 C ATOM 1268 CG GLN A 86 5.317 15.254 -12.016 1.00 0.00 C ATOM 1269 CD GLN A 86 3.856 15.453 -12.424 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.332 14.791 -13.313 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.136 16.360 -11.794 1.00 0.00 N ATOM 0 H GLN A 86 7.119 13.036 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 86 7.343 15.189 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.021 13.386 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.858 14.802 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.776 16.224 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.866 14.800 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.556 16.919 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.159 16.502 -12.049 1.00 0.00 H new ATOM 1280 N GLN A 87 6.978 12.162 -8.893 1.00 0.00 N ATOM 1281 CA GLN A 87 7.097 11.404 -7.639 1.00 0.00 C ATOM 1282 C GLN A 87 8.464 11.619 -6.966 1.00 0.00 C ATOM 1283 O GLN A 87 8.529 11.903 -5.769 1.00 0.00 O ATOM 1284 CB GLN A 87 6.824 9.917 -7.928 1.00 0.00 C ATOM 1285 CG GLN A 87 6.701 9.071 -6.647 1.00 0.00 C ATOM 1286 CD GLN A 87 6.337 7.607 -6.921 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.251 7.135 -8.049 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.113 6.818 -5.890 1.00 0.00 N ATOM 0 H GLN A 87 6.894 11.575 -9.723 1.00 0.00 H new ATOM 0 HA GLN A 87 6.355 11.770 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.905 9.827 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.629 9.518 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.645 9.108 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.943 9.512 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.178 7.187 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.874 5.838 -6.040 1.00 0.00 H new ATOM 1297 N ILE A 88 9.561 11.545 -7.729 1.00 0.00 N ATOM 1298 CA ILE A 88 10.918 11.782 -7.209 1.00 0.00 C ATOM 1299 C ILE A 88 11.098 13.259 -6.839 1.00 0.00 C ATOM 1300 O ILE A 88 11.622 13.550 -5.764 1.00 0.00 O ATOM 1301 CB ILE A 88 11.970 11.260 -8.218 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.183 9.731 -8.154 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.362 11.869 -7.966 1.00 0.00 C ATOM 1304 CD1 ILE A 88 10.954 8.808 -8.102 1.00 0.00 C ATOM 0 H ILE A 88 9.536 11.320 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 88 11.069 11.220 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 88 11.561 11.550 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.773 9.444 -9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.790 9.520 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.069 11.475 -8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.307 12.953 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.696 11.610 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.281 7.769 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.363 9.038 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.346 8.962 -8.993 1.00 0.00 H new ATOM 1316 N LEU A 89 10.602 14.195 -7.656 1.00 0.00 N ATOM 1317 CA LEU A 89 10.593 15.632 -7.315 1.00 0.00 C ATOM 1318 C LEU A 89 9.834 15.906 -6.005 1.00 0.00 C ATOM 1319 O LEU A 89 10.347 16.619 -5.146 1.00 0.00 O ATOM 1320 CB LEU A 89 9.997 16.432 -8.494 1.00 0.00 C ATOM 1321 CG LEU A 89 9.871 17.958 -8.286 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.234 18.641 -8.164 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.140 18.577 -9.475 1.00 0.00 C ATOM 0 H LEU A 89 10.197 13.985 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 89 11.620 15.958 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.614 16.256 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.007 16.033 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 89 9.321 18.109 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.093 19.712 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.773 18.228 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.809 18.471 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.052 19.653 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.701 18.381 -10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.145 18.139 -9.559 1.00 0.00 H new ATOM 1335 N ASN A 90 8.654 15.310 -5.812 1.00 0.00 N ATOM 1336 CA ASN A 90 7.882 15.441 -4.573 1.00 0.00 C ATOM 1337 C ASN A 90 8.655 14.886 -3.365 1.00 0.00 C ATOM 1338 O ASN A 90 8.806 15.591 -2.366 1.00 0.00 O ATOM 1339 CB ASN A 90 6.518 14.753 -4.763 1.00 0.00 C ATOM 1340 CG ASN A 90 5.665 14.811 -3.504 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.616 13.879 -2.715 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.986 15.912 -3.265 1.00 0.00 N ATOM 0 H ASN A 90 8.206 14.721 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 90 7.713 16.496 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.983 15.230 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.674 13.712 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.418 15.988 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.027 16.690 -3.924 1.00 0.00 H new ATOM 1349 N ARG A 91 9.242 13.685 -3.475 1.00 0.00 N ATOM 1350 CA ARG A 91 10.042 13.090 -2.387 1.00 0.00 C ATOM 1351 C ARG A 91 11.298 13.911 -2.072 1.00 0.00 C ATOM 1352 O ARG A 91 11.651 14.065 -0.905 1.00 0.00 O ATOM 1353 CB ARG A 91 10.377 11.626 -2.732 1.00 0.00 C ATOM 1354 CG ARG A 91 10.692 10.776 -1.481 1.00 0.00 C ATOM 1355 CD ARG A 91 9.538 9.839 -1.089 1.00 0.00 C ATOM 1356 NE ARG A 91 8.305 10.576 -0.736 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.051 10.185 -0.850 1.00 0.00 C ATOM 1358 NH1 ARG A 91 6.698 9.026 -1.334 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.123 10.995 -0.457 1.00 0.00 N ATOM 0 H ARG A 91 9.179 13.102 -4.310 1.00 0.00 H new ATOM 0 HA ARG A 91 9.445 13.104 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.537 11.182 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.233 11.603 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.588 10.183 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.916 11.438 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.328 9.161 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.845 9.224 -0.243 1.00 0.00 H new ATOM 0 HE ARG A 91 8.443 11.511 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.410 8.367 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.710 8.779 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.371 11.907 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.143 10.722 -0.532 1.00 0.00 H new ATOM 1373 N LEU A 92 11.936 14.505 -3.083 1.00 0.00 N ATOM 1374 CA LEU A 92 13.070 15.419 -2.892 1.00 0.00 C ATOM 1375 C LEU A 92 12.634 16.734 -2.231 1.00 0.00 C ATOM 1376 O LEU A 92 13.325 17.213 -1.336 1.00 0.00 O ATOM 1377 CB LEU A 92 13.766 15.643 -4.250 1.00 0.00 C ATOM 1378 CG LEU A 92 15.098 16.415 -4.168 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.195 15.618 -3.463 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.597 16.710 -5.578 1.00 0.00 C ATOM 0 H LEU A 92 11.682 14.367 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 92 13.787 14.969 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.951 14.674 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.086 16.186 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 92 14.899 17.324 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.111 16.208 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.879 15.386 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.378 14.691 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.539 17.256 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.751 15.773 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.858 17.312 -6.107 1.00 0.00 H new ATOM 1392 N ARG A 93 11.475 17.296 -2.595 1.00 0.00 N ATOM 1393 CA ARG A 93 10.942 18.516 -1.956 1.00 0.00 C ATOM 1394 C ARG A 93 10.630 18.277 -0.476 1.00 0.00 C ATOM 1395 O ARG A 93 10.971 19.111 0.354 1.00 0.00 O ATOM 1396 CB ARG A 93 9.729 19.029 -2.753 1.00 0.00 C ATOM 1397 CG ARG A 93 9.331 20.455 -2.335 1.00 0.00 C ATOM 1398 CD ARG A 93 8.074 20.964 -3.057 1.00 0.00 C ATOM 1399 NE ARG A 93 8.197 20.945 -4.531 1.00 0.00 N ATOM 1400 CZ ARG A 93 8.858 21.793 -5.302 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.561 22.775 -4.828 1.00 0.00 N ATOM 1402 NH2 ARG A 93 8.830 21.673 -6.594 1.00 0.00 N ATOM 0 H ARG A 93 10.880 16.925 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 93 11.702 19.297 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.961 19.014 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.884 18.357 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.159 20.478 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.160 21.132 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.222 20.352 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.863 21.982 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 93 7.714 20.186 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.621 22.919 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.053 23.403 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.295 20.919 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.343 22.333 -7.179 1.00 0.00 H new ATOM 1416 N GLU A 94 10.089 17.112 -0.126 1.00 0.00 N ATOM 1417 CA GLU A 94 9.923 16.700 1.277 1.00 0.00 C ATOM 1418 C GLU A 94 11.281 16.588 1.992 1.00 0.00 C ATOM 1419 O GLU A 94 11.484 17.230 3.026 1.00 0.00 O ATOM 1420 CB GLU A 94 9.180 15.359 1.358 1.00 0.00 C ATOM 1421 CG GLU A 94 7.724 15.443 0.874 1.00 0.00 C ATOM 1422 CD GLU A 94 7.052 14.054 0.869 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.687 13.061 0.435 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.876 13.938 1.287 1.00 0.00 O ATOM 0 H GLU A 94 9.752 16.425 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 94 9.334 17.467 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.713 14.619 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.193 15.005 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.163 16.118 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.697 15.866 -0.130 1.00 0.00 H new ATOM 1431 N ARG A 95 12.235 15.832 1.421 1.00 0.00 N ATOM 1432 CA ARG A 95 13.555 15.575 2.035 1.00 0.00 C ATOM 1433 C ARG A 95 14.365 16.857 2.281 1.00 0.00 C ATOM 1434 O ARG A 95 15.006 16.982 3.324 1.00 0.00 O ATOM 1435 CB ARG A 95 14.340 14.597 1.137 1.00 0.00 C ATOM 1436 CG ARG A 95 15.526 13.931 1.856 1.00 0.00 C ATOM 1437 CD ARG A 95 16.337 13.080 0.869 1.00 0.00 C ATOM 1438 NE ARG A 95 17.008 11.951 1.527 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.295 11.669 1.574 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.249 12.480 1.231 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.687 10.505 1.982 1.00 0.00 N ATOM 0 H ARG A 95 12.114 15.378 0.515 1.00 0.00 H new ATOM 0 HA ARG A 95 13.387 15.136 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.663 13.824 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.709 15.133 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.166 14.694 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.161 13.306 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.675 12.702 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.082 13.707 0.379 1.00 0.00 H new ATOM 0 HE ARG A 95 16.395 11.297 2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.026 13.417 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.222 12.181 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.000 9.807 2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.683 10.286 2.019 1.00 0.00 H new ATOM 1455 N VAL A 96 14.328 17.795 1.330 1.00 0.00 N ATOM 1456 CA VAL A 96 15.168 19.010 1.348 1.00 0.00 C ATOM 1457 C VAL A 96 14.453 20.225 1.958 1.00 0.00 C ATOM 1458 O VAL A 96 15.103 21.032 2.625 1.00 0.00 O ATOM 1459 CB VAL A 96 15.708 19.314 -0.070 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.713 20.477 -0.064 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.433 18.086 -0.641 1.00 0.00 C ATOM 0 H VAL A 96 13.713 17.738 0.518 1.00 0.00 H new ATOM 0 HA VAL A 96 16.014 18.806 2.004 1.00 0.00 H new ATOM 0 HB VAL A 96 14.844 19.580 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.067 20.657 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.227 21.376 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.559 20.224 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.807 18.316 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.268 17.822 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.739 17.247 -0.698 1.00 0.00 H new ATOM 1471 N SER A 97 13.132 20.347 1.778 1.00 0.00 N ATOM 1472 CA SER A 97 12.355 21.552 2.127 1.00 0.00 C ATOM 1473 C SER A 97 11.145 21.297 3.049 1.00 0.00 C ATOM 1474 O SER A 97 10.507 22.261 3.481 1.00 0.00 O ATOM 1475 CB SER A 97 11.899 22.265 0.843 1.00 0.00 C ATOM 1476 OG SER A 97 12.996 22.544 -0.020 1.00 0.00 O ATOM 0 H SER A 97 12.560 19.602 1.380 1.00 0.00 H new ATOM 0 HA SER A 97 13.030 22.183 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.173 21.643 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.394 23.195 1.103 1.00 0.00 H new ATOM 0 HG SER A 97 12.671 22.996 -0.827 1.00 0.00 H new