USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 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 124:sc= 1.07 USER MOD Set 1.2: A 27 SER OG : rot 160:sc= 0.916 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= 0.405 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0.505 K(o=0.51,f=-4.8!) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0149 (180deg=-0.0149) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -78:sc= 1.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 170:sc= 0.549 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.09) USER MOD Single : A 90 ASN : amide:sc= 0.966 K(o=0.97,f=-7.2!) USER MOD Single : A 97 SER OG : rot -90:sc= 0.0384 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.136 3.119 -1.095 1.00 0.00 N ATOM 197 CA GLU A 13 13.754 2.957 -2.419 1.00 0.00 C ATOM 198 C GLU A 13 13.985 4.312 -3.117 1.00 0.00 C ATOM 199 O GLU A 13 15.065 4.554 -3.658 1.00 0.00 O ATOM 200 CB GLU A 13 12.880 2.013 -3.256 1.00 0.00 C ATOM 201 CG GLU A 13 13.502 1.682 -4.615 1.00 0.00 C ATOM 202 CD GLU A 13 12.668 0.610 -5.349 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.675 0.965 -6.029 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.011 -0.596 -5.260 1.00 0.00 O ATOM 0 HA GLU A 13 14.744 2.516 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.716 1.089 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.903 2.470 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.560 2.584 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.522 1.324 -4.476 1.00 0.00 H new ATOM 211 N VAL A 14 13.015 5.233 -3.044 1.00 0.00 N ATOM 212 CA VAL A 14 13.142 6.595 -3.607 1.00 0.00 C ATOM 213 C VAL A 14 14.117 7.451 -2.781 1.00 0.00 C ATOM 214 O VAL A 14 14.949 8.154 -3.348 1.00 0.00 O ATOM 215 CB VAL A 14 11.759 7.267 -3.724 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.835 8.631 -4.421 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.773 6.424 -4.544 1.00 0.00 C ATOM 0 H VAL A 14 12.116 5.060 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 14 13.558 6.510 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 14 11.416 7.375 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.837 9.065 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.487 9.294 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.236 8.504 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.813 6.938 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.166 6.281 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.638 5.454 -4.066 1.00 0.00 H new ATOM 227 N ASP A 15 14.065 7.356 -1.448 1.00 0.00 N ATOM 228 CA ASP A 15 15.005 8.028 -0.533 1.00 0.00 C ATOM 229 C ASP A 15 16.469 7.571 -0.737 1.00 0.00 C ATOM 230 O ASP A 15 17.386 8.391 -0.823 1.00 0.00 O ATOM 231 CB ASP A 15 14.517 7.739 0.891 1.00 0.00 C ATOM 232 CG ASP A 15 15.461 8.265 1.979 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.520 9.504 2.163 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.108 7.433 2.664 1.00 0.00 O ATOM 0 H ASP A 15 13.359 6.802 -0.963 1.00 0.00 H new ATOM 0 HA ASP A 15 15.016 9.099 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.533 8.187 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.397 6.663 1.014 1.00 0.00 H new ATOM 239 N GLU A 16 16.683 6.265 -0.898 1.00 0.00 N ATOM 240 CA GLU A 16 17.982 5.678 -1.235 1.00 0.00 C ATOM 241 C GLU A 16 18.451 6.084 -2.633 1.00 0.00 C ATOM 242 O GLU A 16 19.628 6.391 -2.817 1.00 0.00 O ATOM 243 CB GLU A 16 17.884 4.151 -1.130 1.00 0.00 C ATOM 244 CG GLU A 16 19.222 3.477 -1.435 1.00 0.00 C ATOM 245 CD GLU A 16 19.225 2.025 -0.916 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.381 1.825 0.317 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.078 1.081 -1.730 1.00 0.00 O ATOM 0 H GLU A 16 15.943 5.570 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 16 18.721 6.056 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.558 3.875 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.126 3.786 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.404 3.486 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.033 4.038 -0.970 1.00 0.00 H new ATOM 254 N ALA A 17 17.549 6.132 -3.617 1.00 0.00 N ATOM 255 CA ALA A 17 17.907 6.585 -4.956 1.00 0.00 C ATOM 256 C ALA A 17 18.327 8.071 -4.956 1.00 0.00 C ATOM 257 O ALA A 17 19.304 8.429 -5.613 1.00 0.00 O ATOM 258 CB ALA A 17 16.745 6.317 -5.915 1.00 0.00 C ATOM 0 H ALA A 17 16.571 5.863 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 17 18.774 6.021 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.013 6.656 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.532 5.248 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.861 6.856 -5.575 1.00 0.00 H new ATOM 264 N ILE A 18 17.651 8.919 -4.165 1.00 0.00 N ATOM 265 CA ILE A 18 18.068 10.312 -3.912 1.00 0.00 C ATOM 266 C ILE A 18 19.469 10.358 -3.290 1.00 0.00 C ATOM 267 O ILE A 18 20.315 11.087 -3.800 1.00 0.00 O ATOM 268 CB ILE A 18 17.025 11.051 -3.040 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.817 11.419 -3.921 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.588 12.327 -2.374 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.559 11.761 -3.121 1.00 0.00 C ATOM 0 H ILE A 18 16.793 8.658 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 18 18.120 10.834 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 18 16.734 10.379 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.081 12.270 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.598 10.586 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.809 12.800 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.427 12.062 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.926 13.021 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.749 12.010 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.270 10.903 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.761 12.614 -2.472 1.00 0.00 H new ATOM 283 N ASP A 19 19.750 9.577 -2.242 1.00 0.00 N ATOM 284 CA ASP A 19 21.081 9.545 -1.618 1.00 0.00 C ATOM 285 C ASP A 19 22.178 9.047 -2.581 1.00 0.00 C ATOM 286 O ASP A 19 23.267 9.623 -2.625 1.00 0.00 O ATOM 287 CB ASP A 19 21.023 8.675 -0.357 1.00 0.00 C ATOM 288 CG ASP A 19 22.372 8.678 0.383 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.701 9.702 1.028 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.093 7.652 0.339 1.00 0.00 O ATOM 0 H ASP A 19 19.071 8.955 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 19 21.354 10.566 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.240 9.043 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.756 7.654 -0.629 1.00 0.00 H new ATOM 295 N ASN A 20 21.883 8.039 -3.407 1.00 0.00 N ATOM 296 CA ASN A 20 22.797 7.537 -4.435 1.00 0.00 C ATOM 297 C ASN A 20 23.088 8.590 -5.522 1.00 0.00 C ATOM 298 O ASN A 20 24.252 8.811 -5.862 1.00 0.00 O ATOM 299 CB ASN A 20 22.205 6.249 -5.026 1.00 0.00 C ATOM 300 CG ASN A 20 23.105 5.653 -6.097 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.927 5.882 -7.285 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.109 4.896 -5.716 1.00 0.00 N ATOM 0 H ASN A 20 20.992 7.543 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 20 23.762 7.317 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.055 5.519 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.225 6.462 -5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.741 4.499 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.257 4.706 -4.725 1.00 0.00 H new ATOM 309 N ILE A 21 22.056 9.287 -6.016 1.00 0.00 N ATOM 310 CA ILE A 21 22.222 10.413 -6.944 1.00 0.00 C ATOM 311 C ILE A 21 23.051 11.522 -6.285 1.00 0.00 C ATOM 312 O ILE A 21 24.025 11.976 -6.875 1.00 0.00 O ATOM 313 CB ILE A 21 20.849 10.933 -7.439 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.252 9.942 -8.462 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.990 12.328 -8.072 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.749 10.150 -8.704 1.00 0.00 C ATOM 0 H ILE A 21 21.083 9.086 -5.784 1.00 0.00 H new ATOM 0 HA ILE A 21 22.765 10.067 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 21 20.178 11.013 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.783 10.044 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.419 8.924 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.014 12.673 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.384 13.025 -7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.672 12.275 -8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.394 9.421 -9.433 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.208 10.019 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.578 11.157 -9.084 1.00 0.00 H new ATOM 328 N LEU A 22 22.716 11.911 -5.054 1.00 0.00 N ATOM 329 CA LEU A 22 23.383 12.985 -4.321 1.00 0.00 C ATOM 330 C LEU A 22 24.875 12.687 -4.063 1.00 0.00 C ATOM 331 O LEU A 22 25.723 13.580 -4.167 1.00 0.00 O ATOM 332 CB LEU A 22 22.583 13.189 -3.023 1.00 0.00 C ATOM 333 CG LEU A 22 23.059 14.339 -2.128 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.954 15.689 -2.836 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.186 14.398 -0.870 1.00 0.00 C ATOM 0 H LEU A 22 21.957 11.478 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 22 23.394 13.903 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.539 13.363 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.618 12.265 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 22 24.103 14.150 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.301 16.478 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.570 15.677 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.916 15.876 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.522 15.215 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.147 14.565 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.266 13.456 -0.327 1.00 0.00 H new ATOM 347 N ARG A 23 25.218 11.418 -3.790 1.00 0.00 N ATOM 348 CA ARG A 23 26.609 10.942 -3.723 1.00 0.00 C ATOM 349 C ARG A 23 27.305 11.007 -5.091 1.00 0.00 C ATOM 350 O ARG A 23 28.443 11.469 -5.169 1.00 0.00 O ATOM 351 CB ARG A 23 26.622 9.523 -3.123 1.00 0.00 C ATOM 352 CG ARG A 23 28.043 9.003 -2.851 1.00 0.00 C ATOM 353 CD ARG A 23 28.006 7.628 -2.173 1.00 0.00 C ATOM 354 NE ARG A 23 29.369 7.110 -1.922 1.00 0.00 N ATOM 355 CZ ARG A 23 29.689 5.980 -1.317 1.00 0.00 C ATOM 356 NH1 ARG A 23 28.787 5.161 -0.851 1.00 0.00 N ATOM 357 NH2 ARG A 23 30.938 5.648 -1.160 1.00 0.00 N ATOM 0 H ARG A 23 24.531 10.687 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 23 27.184 11.602 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.056 9.522 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.115 8.841 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.595 8.935 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.578 9.710 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.464 7.701 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.459 6.926 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 23 30.144 7.686 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.797 5.384 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.072 4.297 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 23 31.676 6.262 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.178 4.774 -0.692 1.00 0.00 H new ATOM 371 N TYR A 24 26.626 10.600 -6.166 1.00 0.00 N ATOM 372 CA TYR A 24 27.175 10.614 -7.530 1.00 0.00 C ATOM 373 C TYR A 24 27.393 12.037 -8.088 1.00 0.00 C ATOM 374 O TYR A 24 28.434 12.308 -8.693 1.00 0.00 O ATOM 375 CB TYR A 24 26.252 9.775 -8.429 1.00 0.00 C ATOM 376 CG TYR A 24 26.655 9.672 -9.892 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.977 9.333 -10.249 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.687 9.866 -10.899 1.00 0.00 C ATOM 379 CE1 TYR A 24 28.333 9.210 -11.607 1.00 0.00 C ATOM 380 CE2 TYR A 24 26.036 9.728 -12.257 1.00 0.00 C ATOM 381 CZ TYR A 24 27.366 9.408 -12.617 1.00 0.00 C ATOM 382 OH TYR A 24 27.718 9.276 -13.927 1.00 0.00 O ATOM 0 H TYR A 24 25.670 10.247 -6.117 1.00 0.00 H new ATOM 0 HA TYR A 24 28.172 10.175 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.195 8.767 -8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.248 10.197 -8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.717 9.167 -9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.673 10.122 -10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.349 8.963 -11.876 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.288 9.867 -13.023 1.00 0.00 H new ATOM 0 HH TYR A 24 26.937 9.444 -14.494 1.00 0.00 H new ATOM 392 N THR A 25 26.477 12.979 -7.836 1.00 0.00 N ATOM 393 CA THR A 25 26.595 14.382 -8.275 1.00 0.00 C ATOM 394 C THR A 25 27.602 15.197 -7.460 1.00 0.00 C ATOM 395 O THR A 25 28.048 16.243 -7.936 1.00 0.00 O ATOM 396 CB THR A 25 25.246 15.112 -8.199 1.00 0.00 C ATOM 397 OG1 THR A 25 24.740 15.036 -6.889 1.00 0.00 O ATOM 398 CG2 THR A 25 24.203 14.543 -9.162 1.00 0.00 C ATOM 0 H THR A 25 25.621 12.790 -7.315 1.00 0.00 H new ATOM 0 HA THR A 25 26.947 14.316 -9.305 1.00 0.00 H new ATOM 0 HB THR A 25 25.433 16.146 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.565 15.940 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.272 15.101 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.568 14.628 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.025 13.494 -8.927 1.00 0.00 H new ATOM 406 N ASN A 26 27.970 14.735 -6.254 1.00 0.00 N ATOM 407 CA ASN A 26 28.798 15.471 -5.286 1.00 0.00 C ATOM 408 C ASN A 26 28.266 16.891 -4.954 1.00 0.00 C ATOM 409 O ASN A 26 29.034 17.785 -4.586 1.00 0.00 O ATOM 410 CB ASN A 26 30.287 15.424 -5.707 1.00 0.00 C ATOM 411 CG ASN A 26 30.884 14.027 -5.647 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.433 13.610 -4.638 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.808 13.259 -6.711 1.00 0.00 N ATOM 0 H ASN A 26 27.692 13.814 -5.917 1.00 0.00 H new ATOM 0 HA ASN A 26 28.723 14.957 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.383 15.810 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.862 16.086 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.206 12.320 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.351 13.602 -7.556 1.00 0.00 H new ATOM 420 N SER A 27 26.951 17.102 -5.083 1.00 0.00 N ATOM 421 CA SER A 27 26.270 18.374 -4.797 1.00 0.00 C ATOM 422 C SER A 27 25.620 18.377 -3.405 1.00 0.00 C ATOM 423 O SER A 27 25.683 17.384 -2.673 1.00 0.00 O ATOM 424 CB SER A 27 25.243 18.644 -5.905 1.00 0.00 C ATOM 425 OG SER A 27 24.243 17.635 -5.954 1.00 0.00 O ATOM 0 H SER A 27 26.311 16.373 -5.398 1.00 0.00 H new ATOM 0 HA SER A 27 27.006 19.178 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.774 19.613 -5.737 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.752 18.699 -6.867 1.00 0.00 H new ATOM 0 HG SER A 27 23.454 17.979 -6.423 1.00 0.00 H new ATOM 431 N THR A 28 24.990 19.492 -3.018 1.00 0.00 N ATOM 432 CA THR A 28 24.116 19.545 -1.834 1.00 0.00 C ATOM 433 C THR A 28 22.682 19.154 -2.208 1.00 0.00 C ATOM 434 O THR A 28 22.287 19.204 -3.376 1.00 0.00 O ATOM 435 CB THR A 28 24.125 20.914 -1.140 1.00 0.00 C ATOM 436 OG1 THR A 28 23.498 21.873 -1.961 1.00 0.00 O ATOM 437 CG2 THR A 28 25.530 21.417 -0.827 1.00 0.00 C ATOM 0 H THR A 28 25.069 20.381 -3.512 1.00 0.00 H new ATOM 0 HA THR A 28 24.519 18.826 -1.121 1.00 0.00 H new ATOM 0 HB THR A 28 23.591 20.780 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.506 22.744 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.468 22.389 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.031 20.709 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.097 21.513 -1.753 1.00 0.00 H new ATOM 445 N GLU A 29 21.869 18.778 -1.224 1.00 0.00 N ATOM 446 CA GLU A 29 20.456 18.456 -1.449 1.00 0.00 C ATOM 447 C GLU A 29 19.650 19.689 -1.892 1.00 0.00 C ATOM 448 O GLU A 29 18.788 19.570 -2.758 1.00 0.00 O ATOM 449 CB GLU A 29 19.840 17.736 -0.233 1.00 0.00 C ATOM 450 CG GLU A 29 19.912 18.470 1.118 1.00 0.00 C ATOM 451 CD GLU A 29 21.246 18.216 1.854 1.00 0.00 C ATOM 452 OE1 GLU A 29 22.256 18.892 1.535 1.00 0.00 O ATOM 453 OE2 GLU A 29 21.292 17.337 2.749 1.00 0.00 O ATOM 0 H GLU A 29 22.166 18.687 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 29 20.405 17.752 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.792 17.533 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.336 16.771 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.788 19.540 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 29 19.084 18.146 1.749 1.00 0.00 H new ATOM 460 N GLN A 30 19.981 20.891 -1.397 1.00 0.00 N ATOM 461 CA GLN A 30 19.384 22.139 -1.888 1.00 0.00 C ATOM 462 C GLN A 30 19.817 22.481 -3.329 1.00 0.00 C ATOM 463 O GLN A 30 18.982 22.925 -4.114 1.00 0.00 O ATOM 464 CB GLN A 30 19.597 23.286 -0.883 1.00 0.00 C ATOM 465 CG GLN A 30 21.062 23.679 -0.630 1.00 0.00 C ATOM 466 CD GLN A 30 21.175 24.816 0.387 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.409 24.610 1.571 1.00 0.00 O ATOM 468 NE2 GLN A 30 20.996 26.057 -0.022 1.00 0.00 N ATOM 0 H GLN A 30 20.664 21.024 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 30 18.307 21.987 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.060 24.164 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.146 23.002 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.614 22.811 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.525 23.983 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.800 26.247 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.053 26.827 0.645 1.00 0.00 H new ATOM 477 N GLN A 31 21.068 22.191 -3.722 1.00 0.00 N ATOM 478 CA GLN A 31 21.503 22.303 -5.125 1.00 0.00 C ATOM 479 C GLN A 31 20.765 21.302 -6.023 1.00 0.00 C ATOM 480 O GLN A 31 20.362 21.656 -7.128 1.00 0.00 O ATOM 481 CB GLN A 31 23.020 22.070 -5.233 1.00 0.00 C ATOM 482 CG GLN A 31 23.847 23.280 -4.772 1.00 0.00 C ATOM 483 CD GLN A 31 25.330 22.954 -4.561 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.788 21.824 -4.684 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.142 23.936 -4.228 1.00 0.00 N ATOM 0 H GLN A 31 21.799 21.876 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 31 21.263 23.311 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.292 21.201 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.274 21.836 -6.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.758 24.075 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.430 23.663 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.780 24.883 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.133 23.749 -4.077 1.00 0.00 H new ATOM 494 N PHE A 32 20.528 20.073 -5.548 1.00 0.00 N ATOM 495 CA PHE A 32 19.748 19.072 -6.287 1.00 0.00 C ATOM 496 C PHE A 32 18.275 19.492 -6.431 1.00 0.00 C ATOM 497 O PHE A 32 17.736 19.430 -7.536 1.00 0.00 O ATOM 498 CB PHE A 32 19.958 17.695 -5.623 1.00 0.00 C ATOM 499 CG PHE A 32 19.334 16.462 -6.268 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.879 16.446 -7.605 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.217 15.290 -5.495 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.277 15.292 -8.138 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.626 14.131 -6.032 1.00 0.00 C ATOM 504 CZ PHE A 32 18.136 14.140 -7.349 1.00 0.00 C ATOM 0 H PHE A 32 20.870 19.745 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 32 20.103 18.996 -7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.032 17.523 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.580 17.760 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.994 17.325 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.585 15.281 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.922 15.292 -9.158 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.549 13.236 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.652 13.263 -7.753 1.00 0.00 H new ATOM 514 N LEU A 33 17.645 20.010 -5.371 1.00 0.00 N ATOM 515 CA LEU A 33 16.273 20.542 -5.432 1.00 0.00 C ATOM 516 C LEU A 33 16.169 21.724 -6.406 1.00 0.00 C ATOM 517 O LEU A 33 15.281 21.747 -7.258 1.00 0.00 O ATOM 518 CB LEU A 33 15.812 20.882 -3.994 1.00 0.00 C ATOM 519 CG LEU A 33 14.359 21.362 -3.768 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.132 22.825 -4.150 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.338 20.502 -4.516 1.00 0.00 C ATOM 0 H LEU A 33 18.069 20.074 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 33 15.595 19.789 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.965 19.994 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.478 21.654 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 33 14.209 21.259 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.092 23.092 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.782 23.463 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.360 22.965 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.334 20.880 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.543 20.542 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.409 19.470 -4.171 1.00 0.00 H new ATOM 533 N GLU A 34 17.119 22.656 -6.345 1.00 0.00 N ATOM 534 CA GLU A 34 17.205 23.784 -7.283 1.00 0.00 C ATOM 535 C GLU A 34 17.400 23.320 -8.734 1.00 0.00 C ATOM 536 O GLU A 34 16.736 23.829 -9.635 1.00 0.00 O ATOM 537 CB GLU A 34 18.323 24.735 -6.827 1.00 0.00 C ATOM 538 CG GLU A 34 18.407 26.004 -7.683 1.00 0.00 C ATOM 539 CD GLU A 34 19.458 26.976 -7.118 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.660 26.843 -7.456 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.089 27.892 -6.341 1.00 0.00 O ATOM 0 H GLU A 34 17.857 22.653 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 34 16.257 24.321 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.155 25.014 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.278 24.211 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.664 25.740 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.433 26.492 -7.714 1.00 0.00 H new ATOM 548 N ALA A 35 18.244 22.311 -8.965 1.00 0.00 N ATOM 549 CA ALA A 35 18.453 21.729 -10.290 1.00 0.00 C ATOM 550 C ALA A 35 17.179 21.071 -10.840 1.00 0.00 C ATOM 551 O ALA A 35 16.839 21.297 -11.998 1.00 0.00 O ATOM 552 CB ALA A 35 19.636 20.751 -10.235 1.00 0.00 C ATOM 0 H ALA A 35 18.804 21.874 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 35 18.695 22.529 -10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.794 20.315 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.535 21.284 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.420 19.958 -9.519 1.00 0.00 H new ATOM 558 N MET A 36 16.427 20.308 -10.035 1.00 0.00 N ATOM 559 CA MET A 36 15.128 19.768 -10.475 1.00 0.00 C ATOM 560 C MET A 36 14.108 20.880 -10.746 1.00 0.00 C ATOM 561 O MET A 36 13.440 20.844 -11.775 1.00 0.00 O ATOM 562 CB MET A 36 14.568 18.735 -9.476 1.00 0.00 C ATOM 563 CG MET A 36 15.441 17.480 -9.347 1.00 0.00 C ATOM 564 SD MET A 36 14.606 16.060 -8.594 1.00 0.00 S ATOM 565 CE MET A 36 13.615 15.464 -9.988 1.00 0.00 C ATOM 0 H MET A 36 16.690 20.051 -9.084 1.00 0.00 H new ATOM 0 HA MET A 36 15.308 19.251 -11.418 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.470 19.203 -8.497 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.566 18.442 -9.791 1.00 0.00 H new ATOM 0 HG2 MET A 36 15.794 17.195 -10.338 1.00 0.00 H new ATOM 0 HG3 MET A 36 16.322 17.725 -8.753 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.042 14.589 -9.680 1.00 0.00 H new ATOM 0 HE2 MET A 36 12.932 16.250 -10.311 1.00 0.00 H new ATOM 0 HE3 MET A 36 14.274 15.194 -10.813 1.00 0.00 H new ATOM 575 N GLU A 37 14.021 21.904 -9.896 1.00 0.00 N ATOM 576 CA GLU A 37 13.082 23.019 -10.090 1.00 0.00 C ATOM 577 C GLU A 37 13.391 23.845 -11.359 1.00 0.00 C ATOM 578 O GLU A 37 12.474 24.170 -12.117 1.00 0.00 O ATOM 579 CB GLU A 37 13.061 23.882 -8.821 1.00 0.00 C ATOM 580 CG GLU A 37 11.950 24.938 -8.850 1.00 0.00 C ATOM 581 CD GLU A 37 11.791 25.610 -7.474 1.00 0.00 C ATOM 582 OE1 GLU A 37 11.054 25.056 -6.622 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.389 26.690 -7.243 1.00 0.00 O ATOM 0 H GLU A 37 14.595 21.988 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 37 12.085 22.610 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.925 23.240 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.025 24.376 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.180 25.692 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.009 24.473 -9.142 1.00 0.00 H new ATOM 590 N SER A 38 14.670 24.118 -11.645 1.00 0.00 N ATOM 591 CA SER A 38 15.092 24.859 -12.849 1.00 0.00 C ATOM 592 C SER A 38 15.040 24.036 -14.149 1.00 0.00 C ATOM 593 O SER A 38 14.912 24.620 -15.227 1.00 0.00 O ATOM 594 CB SER A 38 16.504 25.429 -12.658 1.00 0.00 C ATOM 595 OG SER A 38 16.500 26.437 -11.653 1.00 0.00 O ATOM 0 H SER A 38 15.447 23.832 -11.049 1.00 0.00 H new ATOM 0 HA SER A 38 14.366 25.664 -12.965 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.191 24.630 -12.378 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.865 25.845 -13.598 1.00 0.00 H new ATOM 0 HG SER A 38 17.407 26.790 -11.541 1.00 0.00 H new ATOM 601 N THR A 39 15.105 22.697 -14.072 1.00 0.00 N ATOM 602 CA THR A 39 15.028 21.798 -15.254 1.00 0.00 C ATOM 603 C THR A 39 13.625 21.229 -15.523 1.00 0.00 C ATOM 604 O THR A 39 13.439 20.454 -16.463 1.00 0.00 O ATOM 605 CB THR A 39 16.069 20.670 -15.194 1.00 0.00 C ATOM 606 OG1 THR A 39 15.887 19.872 -14.053 1.00 0.00 O ATOM 607 CG2 THR A 39 17.502 21.197 -15.172 1.00 0.00 C ATOM 0 H THR A 39 15.213 22.198 -13.189 1.00 0.00 H new ATOM 0 HA THR A 39 15.263 22.441 -16.102 1.00 0.00 H new ATOM 0 HB THR A 39 15.918 20.082 -16.100 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.251 20.334 -13.269 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.197 20.359 -15.129 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.690 21.779 -16.075 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.643 21.830 -14.296 1.00 0.00 H new ATOM 615 N GLY A 40 12.618 21.623 -14.730 1.00 0.00 N ATOM 616 CA GLY A 40 11.207 21.250 -14.949 1.00 0.00 C ATOM 617 C GLY A 40 10.809 19.903 -14.333 1.00 0.00 C ATOM 618 O GLY A 40 9.828 19.289 -14.754 1.00 0.00 O ATOM 0 H GLY A 40 12.758 22.215 -13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.568 22.029 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.014 21.218 -16.021 1.00 0.00 H new ATOM 622 N GLY A 41 11.590 19.424 -13.358 1.00 0.00 N ATOM 623 CA GLY A 41 11.318 18.201 -12.598 1.00 0.00 C ATOM 624 C GLY A 41 11.916 16.917 -13.175 1.00 0.00 C ATOM 625 O GLY A 41 11.775 15.869 -12.554 1.00 0.00 O ATOM 0 H GLY A 41 12.451 19.889 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.696 18.333 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.238 18.075 -12.521 1.00 0.00 H new ATOM 629 N ARG A 42 12.611 16.967 -14.323 1.00 0.00 N ATOM 630 CA ARG A 42 13.255 15.789 -14.944 1.00 0.00 C ATOM 631 C ARG A 42 14.542 15.409 -14.217 1.00 0.00 C ATOM 632 O ARG A 42 15.531 16.132 -14.305 1.00 0.00 O ATOM 633 CB ARG A 42 13.531 16.064 -16.424 1.00 0.00 C ATOM 634 CG ARG A 42 12.240 15.935 -17.242 1.00 0.00 C ATOM 635 CD ARG A 42 12.582 15.834 -18.723 1.00 0.00 C ATOM 636 NE ARG A 42 12.964 17.152 -19.280 1.00 0.00 N ATOM 637 CZ ARG A 42 13.078 17.467 -20.561 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.971 16.587 -21.513 1.00 0.00 N ATOM 639 NH2 ARG A 42 13.295 18.698 -20.921 1.00 0.00 N ATOM 0 H ARG A 42 12.745 17.829 -14.852 1.00 0.00 H new ATOM 0 HA ARG A 42 12.571 14.944 -14.862 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.946 17.065 -16.543 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.277 15.363 -16.798 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.684 15.053 -16.926 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.597 16.797 -17.065 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.400 15.128 -18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.725 15.441 -19.270 1.00 0.00 H new ATOM 0 HE ARG A 42 13.159 17.894 -18.607 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.792 15.609 -21.286 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.066 16.875 -22.487 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.379 19.429 -20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.382 18.932 -21.910 1.00 0.00 H new ATOM 653 N VAL A 43 14.587 14.228 -13.594 1.00 0.00 N ATOM 654 CA VAL A 43 15.795 13.759 -12.876 1.00 0.00 C ATOM 655 C VAL A 43 17.002 13.638 -13.808 1.00 0.00 C ATOM 656 O VAL A 43 18.089 14.060 -13.433 1.00 0.00 O ATOM 657 CB VAL A 43 15.515 12.475 -12.054 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.330 11.211 -12.901 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.633 12.207 -11.037 1.00 0.00 C ATOM 0 H VAL A 43 13.806 13.573 -13.567 1.00 0.00 H new ATOM 0 HA VAL A 43 16.063 14.524 -12.147 1.00 0.00 H new ATOM 0 HB VAL A 43 14.570 12.680 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.138 10.360 -12.247 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.486 11.346 -13.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.234 11.026 -13.482 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.406 11.300 -10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.580 12.082 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.708 13.049 -10.349 1.00 0.00 H new ATOM 669 N ARG A 44 16.812 13.193 -15.060 1.00 0.00 N ATOM 670 CA ARG A 44 17.912 13.050 -16.044 1.00 0.00 C ATOM 671 C ARG A 44 18.604 14.377 -16.388 1.00 0.00 C ATOM 672 O ARG A 44 19.829 14.457 -16.389 1.00 0.00 O ATOM 673 CB ARG A 44 17.426 12.256 -17.281 1.00 0.00 C ATOM 674 CG ARG A 44 16.355 12.935 -18.164 1.00 0.00 C ATOM 675 CD ARG A 44 15.987 12.064 -19.374 1.00 0.00 C ATOM 676 NE ARG A 44 15.290 10.818 -18.983 1.00 0.00 N ATOM 677 CZ ARG A 44 15.072 9.758 -19.745 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.455 9.712 -20.991 1.00 0.00 N ATOM 679 NH2 ARG A 44 14.454 8.714 -19.267 1.00 0.00 N ATOM 0 H ARG A 44 15.898 12.922 -15.424 1.00 0.00 H new ATOM 0 HA ARG A 44 18.703 12.465 -15.574 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.292 12.035 -17.905 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.029 11.301 -16.938 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.462 13.130 -17.570 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.725 13.901 -18.509 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.351 12.636 -20.050 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.893 11.812 -19.926 1.00 0.00 H new ATOM 0 HE ARG A 44 14.941 10.771 -18.026 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.938 10.509 -21.406 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.271 8.879 -21.551 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.134 8.710 -18.298 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.290 7.902 -19.862 1.00 0.00 H new ATOM 693 N ILE A 45 17.820 15.442 -16.585 1.00 0.00 N ATOM 694 CA ILE A 45 18.353 16.779 -16.919 1.00 0.00 C ATOM 695 C ILE A 45 18.963 17.428 -15.668 1.00 0.00 C ATOM 696 O ILE A 45 20.003 18.072 -15.757 1.00 0.00 O ATOM 697 CB ILE A 45 17.278 17.676 -17.580 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.499 16.993 -18.732 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.916 18.972 -18.117 1.00 0.00 C ATOM 700 CD1 ILE A 45 17.339 16.449 -19.900 1.00 0.00 C ATOM 0 H ILE A 45 16.803 15.409 -16.519 1.00 0.00 H new ATOM 0 HA ILE A 45 19.145 16.662 -17.658 1.00 0.00 H new ATOM 0 HB ILE A 45 16.558 17.889 -16.790 1.00 0.00 H new ATOM 0 HG12 ILE A 45 15.923 16.168 -18.312 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.783 17.711 -19.132 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.147 19.592 -18.579 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.377 19.519 -17.294 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.675 18.724 -18.858 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.681 15.995 -20.641 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.895 17.266 -20.360 1.00 0.00 H new ATOM 0 HD13 ILE A 45 18.037 15.700 -19.528 1.00 0.00 H new ATOM 712 N ALA A 46 18.379 17.197 -14.489 1.00 0.00 N ATOM 713 CA ALA A 46 18.912 17.701 -13.222 1.00 0.00 C ATOM 714 C ALA A 46 20.283 17.092 -12.895 1.00 0.00 C ATOM 715 O ALA A 46 21.235 17.828 -12.640 1.00 0.00 O ATOM 716 CB ALA A 46 17.879 17.443 -12.117 1.00 0.00 C ATOM 0 H ALA A 46 17.522 16.654 -14.387 1.00 0.00 H new ATOM 0 HA ALA A 46 19.082 18.775 -13.302 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.263 17.814 -11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.950 17.959 -12.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.689 16.372 -12.039 1.00 0.00 H new ATOM 722 N ILE A 47 20.431 15.762 -12.982 1.00 0.00 N ATOM 723 CA ILE A 47 21.735 15.110 -12.758 1.00 0.00 C ATOM 724 C ILE A 47 22.736 15.478 -13.861 1.00 0.00 C ATOM 725 O ILE A 47 23.888 15.763 -13.542 1.00 0.00 O ATOM 726 CB ILE A 47 21.630 13.588 -12.510 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.219 12.785 -13.764 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.697 13.339 -11.311 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.065 11.274 -13.540 1.00 0.00 C ATOM 0 H ILE A 47 19.671 15.118 -13.204 1.00 0.00 H new ATOM 0 HA ILE A 47 22.129 15.509 -11.823 1.00 0.00 H new ATOM 0 HB ILE A 47 22.625 13.213 -12.271 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.275 13.181 -14.138 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.964 12.948 -14.543 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.617 12.267 -11.129 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.104 13.828 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.709 13.745 -11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.775 10.795 -14.475 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.013 10.858 -13.198 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.298 11.094 -12.787 1.00 0.00 H new ATOM 741 N ALA A 48 22.304 15.606 -15.122 1.00 0.00 N ATOM 742 CA ALA A 48 23.160 16.109 -16.204 1.00 0.00 C ATOM 743 C ALA A 48 23.707 17.521 -15.911 1.00 0.00 C ATOM 744 O ALA A 48 24.911 17.749 -16.027 1.00 0.00 O ATOM 745 CB ALA A 48 22.352 16.068 -17.509 1.00 0.00 C ATOM 0 H ALA A 48 21.358 15.366 -15.420 1.00 0.00 H new ATOM 0 HA ALA A 48 24.040 15.472 -16.294 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.967 16.437 -18.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.048 15.042 -17.717 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.466 16.695 -17.408 1.00 0.00 H new ATOM 751 N LYS A 49 22.864 18.458 -15.456 1.00 0.00 N ATOM 752 CA LYS A 49 23.290 19.826 -15.081 1.00 0.00 C ATOM 753 C LYS A 49 24.217 19.846 -13.862 1.00 0.00 C ATOM 754 O LYS A 49 25.201 20.575 -13.873 1.00 0.00 O ATOM 755 CB LYS A 49 22.041 20.706 -14.849 1.00 0.00 C ATOM 756 CG LYS A 49 21.326 21.086 -16.159 1.00 0.00 C ATOM 757 CD LYS A 49 22.017 22.247 -16.894 1.00 0.00 C ATOM 758 CE LYS A 49 21.308 22.528 -18.227 1.00 0.00 C ATOM 759 NZ LYS A 49 21.830 23.761 -18.882 1.00 0.00 N ATOM 0 H LYS A 49 21.864 18.295 -15.335 1.00 0.00 H new ATOM 0 HA LYS A 49 23.874 20.232 -15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.344 20.175 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.335 21.615 -14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.290 20.216 -16.815 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.295 21.362 -15.939 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.003 23.141 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.063 22.001 -17.075 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.440 21.677 -18.896 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.237 22.634 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.327 23.917 -19.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.681 24.577 -18.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.847 23.650 -19.070 1.00 0.00 H new ATOM 773 N LEU A 50 23.971 18.996 -12.863 1.00 0.00 N ATOM 774 CA LEU A 50 24.845 18.879 -11.681 1.00 0.00 C ATOM 775 C LEU A 50 26.220 18.261 -12.014 1.00 0.00 C ATOM 776 O LEU A 50 27.225 18.650 -11.417 1.00 0.00 O ATOM 777 CB LEU A 50 24.121 18.051 -10.602 1.00 0.00 C ATOM 778 CG LEU A 50 22.885 18.736 -9.991 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.054 17.708 -9.227 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.260 19.863 -9.025 1.00 0.00 C ATOM 0 H LEU A 50 23.166 18.370 -12.845 1.00 0.00 H new ATOM 0 HA LEU A 50 25.046 19.884 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.815 17.100 -11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.826 17.824 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 50 22.319 19.166 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.180 18.195 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.731 16.921 -9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.657 17.272 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.353 20.313 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.858 19.458 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.836 20.621 -9.556 1.00 0.00 H new ATOM 792 N LEU A 51 26.273 17.316 -12.964 1.00 0.00 N ATOM 793 CA LEU A 51 27.510 16.630 -13.371 1.00 0.00 C ATOM 794 C LEU A 51 28.352 17.434 -14.380 1.00 0.00 C ATOM 795 O LEU A 51 29.582 17.428 -14.279 1.00 0.00 O ATOM 796 CB LEU A 51 27.145 15.242 -13.939 1.00 0.00 C ATOM 797 CG LEU A 51 26.620 14.246 -12.886 1.00 0.00 C ATOM 798 CD1 LEU A 51 25.949 13.058 -13.576 1.00 0.00 C ATOM 799 CD2 LEU A 51 27.739 13.703 -11.993 1.00 0.00 C ATOM 0 H LEU A 51 25.449 17.002 -13.478 1.00 0.00 H new ATOM 0 HA LEU A 51 28.138 16.525 -12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.389 15.366 -14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.026 14.815 -14.419 1.00 0.00 H new ATOM 0 HG LEU A 51 25.909 14.792 -12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.582 12.360 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.114 13.412 -14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.672 12.553 -14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.320 13.006 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.477 13.187 -12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.218 14.529 -11.467 1.00 0.00 H new ATOM 1252 N SER A 85 10.856 10.535 -12.120 1.00 0.00 N ATOM 1253 CA SER A 85 11.142 11.971 -11.962 1.00 0.00 C ATOM 1254 C SER A 85 10.204 12.646 -10.957 1.00 0.00 C ATOM 1255 O SER A 85 10.672 13.391 -10.096 1.00 0.00 O ATOM 1256 CB SER A 85 11.054 12.678 -13.317 1.00 0.00 C ATOM 1257 OG SER A 85 12.254 12.461 -14.047 1.00 0.00 O ATOM 0 HA SER A 85 12.155 12.056 -11.568 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.200 12.301 -13.880 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.893 13.746 -13.171 1.00 0.00 H new ATOM 0 HG SER A 85 12.137 12.773 -14.969 1.00 0.00 H new ATOM 1263 N GLN A 86 8.899 12.343 -10.995 1.00 0.00 N ATOM 1264 CA GLN A 86 7.935 12.919 -10.045 1.00 0.00 C ATOM 1265 C GLN A 86 8.106 12.353 -8.626 1.00 0.00 C ATOM 1266 O GLN A 86 8.017 13.108 -7.659 1.00 0.00 O ATOM 1267 CB GLN A 86 6.489 12.740 -10.538 1.00 0.00 C ATOM 1268 CG GLN A 86 6.237 13.386 -11.910 1.00 0.00 C ATOM 1269 CD GLN A 86 4.768 13.765 -12.120 1.00 0.00 C ATOM 1270 OE1 GLN A 86 4.415 14.930 -12.253 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.849 12.825 -12.159 1.00 0.00 N ATOM 0 H GLN A 86 8.486 11.703 -11.673 1.00 0.00 H new ATOM 0 HA GLN A 86 8.146 13.987 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.260 11.676 -10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.806 13.174 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.856 14.278 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.546 12.696 -12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.116 11.846 -12.051 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.870 13.075 -12.297 1.00 0.00 H new ATOM 1280 N GLN A 87 8.423 11.061 -8.485 1.00 0.00 N ATOM 1281 CA GLN A 87 8.696 10.444 -7.176 1.00 0.00 C ATOM 1282 C GLN A 87 9.977 11.005 -6.534 1.00 0.00 C ATOM 1283 O GLN A 87 9.955 11.430 -5.375 1.00 0.00 O ATOM 1284 CB GLN A 87 8.775 8.912 -7.328 1.00 0.00 C ATOM 1285 CG GLN A 87 7.428 8.270 -7.705 1.00 0.00 C ATOM 1286 CD GLN A 87 6.363 8.457 -6.623 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.570 8.178 -5.449 1.00 0.00 O ATOM 1288 NE2 GLN A 87 5.191 8.945 -6.963 1.00 0.00 N ATOM 0 H GLN A 87 8.498 10.414 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 87 7.874 10.692 -6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.513 8.667 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.128 8.478 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.072 8.704 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.575 7.205 -7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.001 9.183 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.472 9.086 -6.254 1.00 0.00 H new ATOM 1297 N ILE A 88 11.072 11.083 -7.304 1.00 0.00 N ATOM 1298 CA ILE A 88 12.335 11.700 -6.868 1.00 0.00 C ATOM 1299 C ILE A 88 12.111 13.175 -6.510 1.00 0.00 C ATOM 1300 O ILE A 88 12.521 13.593 -5.433 1.00 0.00 O ATOM 1301 CB ILE A 88 13.436 11.507 -7.941 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.826 10.021 -8.144 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.695 12.332 -7.628 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.673 9.376 -7.037 1.00 0.00 C ATOM 0 H ILE A 88 11.107 10.717 -8.255 1.00 0.00 H new ATOM 0 HA ILE A 88 12.686 11.201 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 88 12.998 11.869 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.910 9.440 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.372 9.937 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.441 12.167 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.437 13.390 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 88 15.101 12.025 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.880 8.337 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.613 9.918 -6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.128 9.414 -6.094 1.00 0.00 H new ATOM 1316 N LEU A 89 11.391 13.952 -7.331 1.00 0.00 N ATOM 1317 CA LEU A 89 11.065 15.350 -7.018 1.00 0.00 C ATOM 1318 C LEU A 89 10.252 15.479 -5.726 1.00 0.00 C ATOM 1319 O LEU A 89 10.597 16.303 -4.886 1.00 0.00 O ATOM 1320 CB LEU A 89 10.319 15.984 -8.214 1.00 0.00 C ATOM 1321 CG LEU A 89 9.850 17.437 -8.001 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.009 18.391 -7.706 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.126 17.927 -9.250 1.00 0.00 C ATOM 0 H LEU A 89 11.020 13.632 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 89 11.997 15.889 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.972 15.954 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.450 15.369 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 89 9.186 17.434 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.622 19.400 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.524 18.069 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.708 18.384 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.795 18.954 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.803 17.886 -10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.262 17.291 -9.442 1.00 0.00 H new ATOM 1335 N ASN A 90 9.210 14.664 -5.535 1.00 0.00 N ATOM 1336 CA ASN A 90 8.373 14.712 -4.332 1.00 0.00 C ATOM 1337 C ASN A 90 9.202 14.444 -3.067 1.00 0.00 C ATOM 1338 O ASN A 90 9.216 15.270 -2.152 1.00 0.00 O ATOM 1339 CB ASN A 90 7.213 13.711 -4.500 1.00 0.00 C ATOM 1340 CG ASN A 90 6.307 13.675 -3.280 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.565 12.959 -2.321 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.258 14.461 -3.254 1.00 0.00 N ATOM 0 H ASN A 90 8.923 13.954 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 90 7.955 15.711 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.627 13.980 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.618 12.715 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.653 14.478 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.047 15.056 -4.055 1.00 0.00 H new ATOM 1349 N ARG A 91 9.962 13.339 -3.033 1.00 0.00 N ATOM 1350 CA ARG A 91 10.804 13.013 -1.866 1.00 0.00 C ATOM 1351 C ARG A 91 11.961 13.995 -1.681 1.00 0.00 C ATOM 1352 O ARG A 91 12.273 14.330 -0.544 1.00 0.00 O ATOM 1353 CB ARG A 91 11.285 11.552 -1.947 1.00 0.00 C ATOM 1354 CG ARG A 91 10.193 10.496 -1.699 1.00 0.00 C ATOM 1355 CD ARG A 91 9.528 10.605 -0.320 1.00 0.00 C ATOM 1356 NE ARG A 91 8.300 11.435 -0.351 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.505 11.718 0.666 1.00 0.00 C ATOM 1358 NH1 ARG A 91 7.777 11.361 1.889 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.409 12.376 0.450 1.00 0.00 N ATOM 0 H ARG A 91 10.013 12.660 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 91 10.188 13.118 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.718 11.381 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.083 11.406 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.428 10.590 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.630 9.503 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.280 9.607 0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.236 11.034 0.389 1.00 0.00 H new ATOM 0 HE ARG A 91 8.041 11.830 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.632 10.842 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.135 11.600 2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.168 12.669 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.787 12.600 1.227 1.00 0.00 H new ATOM 1373 N LEU A 92 12.554 14.526 -2.752 1.00 0.00 N ATOM 1374 CA LEU A 92 13.617 15.533 -2.641 1.00 0.00 C ATOM 1375 C LEU A 92 13.073 16.865 -2.113 1.00 0.00 C ATOM 1376 O LEU A 92 13.687 17.471 -1.237 1.00 0.00 O ATOM 1377 CB LEU A 92 14.301 15.691 -4.012 1.00 0.00 C ATOM 1378 CG LEU A 92 15.467 16.694 -4.040 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.637 16.263 -3.155 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.957 16.815 -5.472 1.00 0.00 C ATOM 0 H LEU A 92 12.316 14.275 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 92 14.359 15.199 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.671 14.717 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.554 16.004 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 92 15.100 17.645 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.431 17.008 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.299 16.173 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.017 15.300 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.785 17.523 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.294 15.840 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.144 17.169 -6.106 1.00 0.00 H new ATOM 1392 N ARG A 93 11.906 17.307 -2.595 1.00 0.00 N ATOM 1393 CA ARG A 93 11.279 18.560 -2.153 1.00 0.00 C ATOM 1394 C ARG A 93 10.865 18.474 -0.687 1.00 0.00 C ATOM 1395 O ARG A 93 11.184 19.387 0.059 1.00 0.00 O ATOM 1396 CB ARG A 93 10.112 18.926 -3.092 1.00 0.00 C ATOM 1397 CG ARG A 93 9.615 20.363 -2.859 1.00 0.00 C ATOM 1398 CD ARG A 93 8.599 20.799 -3.926 1.00 0.00 C ATOM 1399 NE ARG A 93 8.502 22.274 -3.997 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.235 23.089 -4.737 1.00 0.00 C ATOM 1401 NH1 ARG A 93 10.150 22.679 -5.563 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.102 24.379 -4.688 1.00 0.00 N ATOM 0 H ARG A 93 11.369 16.807 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 93 12.005 19.371 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.432 18.816 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.289 18.228 -2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.157 20.433 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.464 21.046 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.895 20.404 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.621 20.378 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 93 7.791 22.710 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.334 21.681 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.685 23.355 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.413 24.797 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.686 24.975 -5.275 1.00 0.00 H new ATOM 1416 N GLU A 94 10.280 17.357 -0.257 1.00 0.00 N ATOM 1417 CA GLU A 94 9.919 17.142 1.154 1.00 0.00 C ATOM 1418 C GLU A 94 11.152 17.056 2.075 1.00 0.00 C ATOM 1419 O GLU A 94 11.185 17.719 3.116 1.00 0.00 O ATOM 1420 CB GLU A 94 9.058 15.876 1.278 1.00 0.00 C ATOM 1421 CG GLU A 94 7.667 16.033 0.649 1.00 0.00 C ATOM 1422 CD GLU A 94 6.767 16.978 1.470 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.249 16.554 2.533 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.556 18.145 1.056 1.00 0.00 O ATOM 0 H GLU A 94 10.042 16.576 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 94 9.347 18.009 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.575 15.044 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.947 15.620 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.769 16.419 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.191 15.055 0.572 1.00 0.00 H new ATOM 1431 N ARG A 95 12.194 16.303 1.673 1.00 0.00 N ATOM 1432 CA ARG A 95 13.480 16.228 2.400 1.00 0.00 C ATOM 1433 C ARG A 95 14.134 17.604 2.579 1.00 0.00 C ATOM 1434 O ARG A 95 14.652 17.902 3.655 1.00 0.00 O ATOM 1435 CB ARG A 95 14.460 15.294 1.659 1.00 0.00 C ATOM 1436 CG ARG A 95 14.263 13.802 1.976 1.00 0.00 C ATOM 1437 CD ARG A 95 15.178 12.907 1.122 1.00 0.00 C ATOM 1438 NE ARG A 95 16.609 13.254 1.288 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.507 12.661 2.062 1.00 0.00 C ATOM 1440 NH1 ARG A 95 17.291 11.531 2.665 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.679 13.203 2.240 1.00 0.00 N ATOM 0 H ARG A 95 12.169 15.727 0.832 1.00 0.00 H new ATOM 0 HA ARG A 95 13.258 15.831 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.348 15.445 0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.481 15.578 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.466 13.626 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.222 13.528 1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.024 11.864 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.901 13.003 0.072 1.00 0.00 H new ATOM 0 HE ARG A 95 16.944 14.046 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.395 11.057 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.018 11.118 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.907 14.086 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.368 12.744 2.836 1.00 0.00 H new ATOM 1455 N VAL A 96 14.120 18.434 1.531 1.00 0.00 N ATOM 1456 CA VAL A 96 14.786 19.750 1.519 1.00 0.00 C ATOM 1457 C VAL A 96 13.934 20.839 2.183 1.00 0.00 C ATOM 1458 O VAL A 96 14.490 21.692 2.878 1.00 0.00 O ATOM 1459 CB VAL A 96 15.209 20.124 0.085 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.738 21.556 -0.054 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.341 19.187 -0.360 1.00 0.00 C ATOM 0 H VAL A 96 13.643 18.213 0.657 1.00 0.00 H new ATOM 0 HA VAL A 96 15.690 19.675 2.123 1.00 0.00 H new ATOM 0 HB VAL A 96 14.311 20.034 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.015 21.743 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.963 22.261 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.613 21.684 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.648 19.443 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.190 19.296 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.990 18.155 -0.337 1.00 0.00 H new ATOM 1471 N SER A 97 12.603 20.817 2.024 1.00 0.00 N ATOM 1472 CA SER A 97 11.719 21.810 2.649 1.00 0.00 C ATOM 1473 C SER A 97 11.583 21.584 4.166 1.00 0.00 C ATOM 1474 O SER A 97 11.664 22.544 4.937 1.00 0.00 O ATOM 1475 CB SER A 97 10.339 21.850 1.981 1.00 0.00 C ATOM 1476 OG SER A 97 9.577 20.686 2.257 1.00 0.00 O ATOM 0 H SER A 97 12.114 20.118 1.465 1.00 0.00 H new ATOM 0 HA SER A 97 12.190 22.781 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.795 22.729 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.462 21.955 0.903 1.00 0.00 H new ATOM 0 HG SER A 97 9.752 20.010 1.570 1.00 0.00 H new