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 30 GLN : amide:sc= 0.484 K(o=1.6,f=-2.5!) USER MOD Set 1.2: A 31 GLN : amide:sc= 1.15 K(o=1.6,f=-0.35) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -73:sc= 0.799 USER MOD Single : A 26 ASN : amide:sc=-0.00831 K(o=-0.0083,f=-0.89) USER MOD Single : A 27 SER OG : rot -130:sc= 0.0715 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0967 (180deg=-0.0967) USER MOD Single : A 38 SER OG : rot 72:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -90:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.329 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.255 3.748 -0.138 1.00 0.00 N ATOM 197 CA GLU A 13 14.083 3.363 -1.294 1.00 0.00 C ATOM 198 C GLU A 13 14.170 4.498 -2.331 1.00 0.00 C ATOM 199 O GLU A 13 15.230 4.722 -2.909 1.00 0.00 O ATOM 200 CB GLU A 13 13.545 2.055 -1.900 1.00 0.00 C ATOM 201 CG GLU A 13 14.498 1.446 -2.935 1.00 0.00 C ATOM 202 CD GLU A 13 13.988 0.074 -3.418 1.00 0.00 C ATOM 203 OE1 GLU A 13 14.310 -0.960 -2.783 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.261 0.018 -4.439 1.00 0.00 O ATOM 0 HA GLU A 13 15.104 3.186 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.373 1.333 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.580 2.247 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.596 2.121 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.491 1.336 -2.499 1.00 0.00 H new ATOM 211 N VAL A 14 13.101 5.292 -2.495 1.00 0.00 N ATOM 212 CA VAL A 14 13.145 6.543 -3.291 1.00 0.00 C ATOM 213 C VAL A 14 14.105 7.559 -2.653 1.00 0.00 C ATOM 214 O VAL A 14 14.896 8.185 -3.357 1.00 0.00 O ATOM 215 CB VAL A 14 11.744 7.169 -3.459 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.761 8.399 -4.376 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.740 6.179 -4.065 1.00 0.00 C ATOM 0 H VAL A 14 12.187 5.094 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 14 13.513 6.280 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 14 11.442 7.453 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.752 8.803 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.421 9.158 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.122 8.112 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.768 6.662 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.090 5.861 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.648 5.310 -3.414 1.00 0.00 H new ATOM 227 N ASP A 15 14.101 7.691 -1.321 1.00 0.00 N ATOM 228 CA ASP A 15 15.096 8.514 -0.619 1.00 0.00 C ATOM 229 C ASP A 15 16.526 7.949 -0.747 1.00 0.00 C ATOM 230 O ASP A 15 17.468 8.715 -0.924 1.00 0.00 O ATOM 231 CB ASP A 15 14.695 8.698 0.848 1.00 0.00 C ATOM 232 CG ASP A 15 15.718 9.586 1.561 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.654 10.827 1.411 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.642 9.046 2.214 1.00 0.00 O ATOM 0 H ASP A 15 13.422 7.240 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 15 15.110 9.492 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.704 9.148 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.635 7.728 1.342 1.00 0.00 H new ATOM 239 N GLU A 16 16.707 6.625 -0.734 1.00 0.00 N ATOM 240 CA GLU A 16 18.011 5.995 -1.001 1.00 0.00 C ATOM 241 C GLU A 16 18.489 6.258 -2.438 1.00 0.00 C ATOM 242 O GLU A 16 19.665 6.553 -2.643 1.00 0.00 O ATOM 243 CB GLU A 16 17.943 4.487 -0.710 1.00 0.00 C ATOM 244 CG GLU A 16 19.250 3.770 -1.066 1.00 0.00 C ATOM 245 CD GLU A 16 19.220 2.299 -0.606 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.584 2.017 0.561 1.00 0.00 O ATOM 247 OE2 GLU A 16 18.845 1.412 -1.413 1.00 0.00 O ATOM 0 H GLU A 16 15.959 5.959 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 16 18.744 6.447 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.721 4.332 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.123 4.046 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.411 3.814 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.089 4.284 -0.597 1.00 0.00 H new ATOM 254 N ALA A 17 17.596 6.212 -3.431 1.00 0.00 N ATOM 255 CA ALA A 17 17.935 6.551 -4.811 1.00 0.00 C ATOM 256 C ALA A 17 18.355 8.030 -4.942 1.00 0.00 C ATOM 257 O ALA A 17 19.341 8.339 -5.613 1.00 0.00 O ATOM 258 CB ALA A 17 16.740 6.211 -5.711 1.00 0.00 C ATOM 0 H ALA A 17 16.622 5.939 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 17 18.796 5.963 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.981 6.460 -6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.519 5.146 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.870 6.785 -5.393 1.00 0.00 H new ATOM 264 N ILE A 18 17.666 8.935 -4.230 1.00 0.00 N ATOM 265 CA ILE A 18 18.080 10.339 -4.076 1.00 0.00 C ATOM 266 C ILE A 18 19.473 10.436 -3.442 1.00 0.00 C ATOM 267 O ILE A 18 20.315 11.160 -3.962 1.00 0.00 O ATOM 268 CB ILE A 18 17.009 11.122 -3.277 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.814 11.416 -4.203 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.533 12.433 -2.653 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.516 11.684 -3.441 1.00 0.00 C ATOM 0 H ILE A 18 16.799 8.712 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 18 18.157 10.799 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 18 16.709 10.493 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.048 12.280 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.666 10.570 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.726 12.925 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.349 12.208 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.894 13.093 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.713 11.884 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.260 10.812 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.648 12.548 -2.789 1.00 0.00 H new ATOM 283 N ASP A 19 19.754 9.689 -2.375 1.00 0.00 N ATOM 284 CA ASP A 19 21.064 9.701 -1.707 1.00 0.00 C ATOM 285 C ASP A 19 22.190 9.145 -2.607 1.00 0.00 C ATOM 286 O ASP A 19 23.296 9.686 -2.640 1.00 0.00 O ATOM 287 CB ASP A 19 20.961 8.938 -0.375 1.00 0.00 C ATOM 288 CG ASP A 19 21.802 9.602 0.720 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.325 10.611 1.292 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.907 9.103 1.026 1.00 0.00 O ATOM 0 H ASP A 19 19.081 9.055 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 19 21.338 10.736 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.919 8.895 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.293 7.910 -0.517 1.00 0.00 H new ATOM 295 N ASN A 20 21.895 8.122 -3.415 1.00 0.00 N ATOM 296 CA ASN A 20 22.816 7.578 -4.415 1.00 0.00 C ATOM 297 C ASN A 20 23.113 8.603 -5.532 1.00 0.00 C ATOM 298 O ASN A 20 24.274 8.838 -5.859 1.00 0.00 O ATOM 299 CB ASN A 20 22.218 6.265 -4.956 1.00 0.00 C ATOM 300 CG ASN A 20 23.169 5.475 -5.852 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.369 5.704 -5.918 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.660 4.491 -6.564 1.00 0.00 N ATOM 0 H ASN A 20 20.995 7.642 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 20 23.782 7.364 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.922 5.638 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.312 6.494 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.265 3.929 -7.163 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.661 4.291 -6.517 1.00 0.00 H new ATOM 309 N ILE A 21 22.083 9.289 -6.052 1.00 0.00 N ATOM 310 CA ILE A 21 22.249 10.400 -7.012 1.00 0.00 C ATOM 311 C ILE A 21 23.065 11.544 -6.396 1.00 0.00 C ATOM 312 O ILE A 21 23.983 12.066 -7.026 1.00 0.00 O ATOM 313 CB ILE A 21 20.860 10.881 -7.511 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.314 9.887 -8.560 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.940 12.297 -8.110 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.813 10.043 -8.836 1.00 0.00 C ATOM 0 H ILE A 21 21.109 9.091 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 21 22.811 10.041 -7.874 1.00 0.00 H new ATOM 0 HB ILE A 21 20.182 10.919 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.862 10.020 -9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.508 8.870 -8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.951 12.605 -8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.296 12.994 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.630 12.297 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.502 9.312 -9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.255 9.880 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.614 11.048 -9.208 1.00 0.00 H new ATOM 328 N LEU A 22 22.770 11.908 -5.149 1.00 0.00 N ATOM 329 CA LEU A 22 23.444 12.978 -4.415 1.00 0.00 C ATOM 330 C LEU A 22 24.952 12.706 -4.254 1.00 0.00 C ATOM 331 O LEU A 22 25.772 13.604 -4.457 1.00 0.00 O ATOM 332 CB LEU A 22 22.714 13.084 -3.065 1.00 0.00 C ATOM 333 CG LEU A 22 23.242 14.156 -2.112 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.950 15.548 -2.665 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.544 14.014 -0.762 1.00 0.00 C ATOM 0 H LEU A 22 22.035 11.454 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 22 23.395 13.923 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.659 13.281 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.771 12.118 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 22 24.319 14.028 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.332 16.301 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.436 15.664 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.874 15.675 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.917 14.776 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.469 14.138 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.747 13.026 -0.350 1.00 0.00 H new ATOM 347 N ARG A 23 25.320 11.455 -3.952 1.00 0.00 N ATOM 348 CA ARG A 23 26.724 11.009 -3.859 1.00 0.00 C ATOM 349 C ARG A 23 27.397 10.869 -5.231 1.00 0.00 C ATOM 350 O ARG A 23 28.529 11.316 -5.390 1.00 0.00 O ATOM 351 CB ARG A 23 26.782 9.690 -3.074 1.00 0.00 C ATOM 352 CG ARG A 23 26.432 9.884 -1.589 1.00 0.00 C ATOM 353 CD ARG A 23 26.301 8.535 -0.876 1.00 0.00 C ATOM 354 NE ARG A 23 25.592 8.696 0.404 1.00 0.00 N ATOM 355 CZ ARG A 23 26.070 8.806 1.625 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.343 8.764 1.909 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.218 8.979 2.587 1.00 0.00 N ATOM 0 H ARG A 23 24.647 10.712 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 23 27.287 11.778 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.091 8.974 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.781 9.263 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.204 10.482 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.498 10.438 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.762 7.832 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.290 8.112 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 23 24.575 8.727 0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.028 8.640 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.653 8.855 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.220 9.025 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.546 9.069 3.549 1.00 0.00 H new ATOM 371 N TYR A 24 26.692 10.345 -6.241 1.00 0.00 N ATOM 372 CA TYR A 24 27.187 10.229 -7.625 1.00 0.00 C ATOM 373 C TYR A 24 27.494 11.599 -8.262 1.00 0.00 C ATOM 374 O TYR A 24 28.526 11.772 -8.913 1.00 0.00 O ATOM 375 CB TYR A 24 26.137 9.471 -8.451 1.00 0.00 C ATOM 376 CG TYR A 24 26.409 9.395 -9.944 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.518 8.669 -10.426 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.539 10.033 -10.854 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.759 8.587 -11.811 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.772 9.943 -12.241 1.00 0.00 C ATOM 381 CZ TYR A 24 26.888 9.219 -12.723 1.00 0.00 C ATOM 382 OH TYR A 24 27.123 9.113 -14.062 1.00 0.00 O ATOM 0 H TYR A 24 25.746 9.983 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 24 28.131 9.684 -7.611 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.058 8.456 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.168 9.947 -8.300 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.183 8.176 -9.732 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.692 10.592 -10.486 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.614 8.038 -12.176 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.100 10.426 -12.935 1.00 0.00 H new ATOM 0 HH TYR A 24 26.432 9.603 -14.555 1.00 0.00 H new ATOM 392 N THR A 25 26.635 12.595 -8.012 1.00 0.00 N ATOM 393 CA THR A 25 26.856 13.994 -8.432 1.00 0.00 C ATOM 394 C THR A 25 27.806 14.773 -7.507 1.00 0.00 C ATOM 395 O THR A 25 28.199 15.890 -7.846 1.00 0.00 O ATOM 396 CB THR A 25 25.532 14.765 -8.574 1.00 0.00 C ATOM 397 OG1 THR A 25 24.838 14.796 -7.347 1.00 0.00 O ATOM 398 CG2 THR A 25 24.598 14.168 -9.624 1.00 0.00 C ATOM 0 H THR A 25 25.759 12.457 -7.509 1.00 0.00 H new ATOM 0 HA THR A 25 27.338 13.920 -9.407 1.00 0.00 H new ATOM 0 HB THR A 25 25.813 15.769 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.457 13.912 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.683 14.758 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.090 14.178 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.353 13.141 -9.352 1.00 0.00 H new ATOM 406 N ASN A 26 28.196 14.187 -6.365 1.00 0.00 N ATOM 407 CA ASN A 26 29.034 14.797 -5.323 1.00 0.00 C ATOM 408 C ASN A 26 28.519 16.182 -4.878 1.00 0.00 C ATOM 409 O ASN A 26 29.275 17.154 -4.782 1.00 0.00 O ATOM 410 CB ASN A 26 30.517 14.741 -5.753 1.00 0.00 C ATOM 411 CG ASN A 26 31.492 15.020 -4.615 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.160 15.005 -3.437 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.748 15.255 -4.929 1.00 0.00 N ATOM 0 H ASN A 26 27.923 13.232 -6.133 1.00 0.00 H new ATOM 0 HA ASN A 26 28.961 14.212 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.729 13.756 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.684 15.466 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.435 15.423 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.035 15.270 -5.908 1.00 0.00 H new ATOM 420 N SER A 27 27.201 16.270 -4.672 1.00 0.00 N ATOM 421 CA SER A 27 26.486 17.538 -4.459 1.00 0.00 C ATOM 422 C SER A 27 25.793 17.632 -3.084 1.00 0.00 C ATOM 423 O SER A 27 25.925 16.748 -2.235 1.00 0.00 O ATOM 424 CB SER A 27 25.498 17.741 -5.618 1.00 0.00 C ATOM 425 OG SER A 27 25.169 19.119 -5.721 1.00 0.00 O ATOM 0 H SER A 27 26.590 15.453 -4.648 1.00 0.00 H new ATOM 0 HA SER A 27 27.218 18.346 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 27 25.938 17.390 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.596 17.152 -5.449 1.00 0.00 H new ATOM 0 HG SER A 27 24.195 19.221 -5.761 1.00 0.00 H new ATOM 431 N THR A 28 25.054 18.725 -2.874 1.00 0.00 N ATOM 432 CA THR A 28 24.161 18.949 -1.719 1.00 0.00 C ATOM 433 C THR A 28 22.701 18.992 -2.183 1.00 0.00 C ATOM 434 O THR A 28 22.400 19.481 -3.273 1.00 0.00 O ATOM 435 CB THR A 28 24.567 20.210 -0.934 1.00 0.00 C ATOM 436 OG1 THR A 28 23.622 20.475 0.080 1.00 0.00 O ATOM 437 CG2 THR A 28 24.656 21.481 -1.781 1.00 0.00 C ATOM 0 H THR A 28 25.057 19.511 -3.524 1.00 0.00 H new ATOM 0 HA THR A 28 24.263 18.113 -1.027 1.00 0.00 H new ATOM 0 HB THR A 28 25.559 19.984 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.889 21.277 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.948 22.320 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.399 21.343 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.685 21.687 -2.232 1.00 0.00 H new ATOM 445 N GLU A 29 21.756 18.490 -1.385 1.00 0.00 N ATOM 446 CA GLU A 29 20.368 18.334 -1.835 1.00 0.00 C ATOM 447 C GLU A 29 19.655 19.670 -2.107 1.00 0.00 C ATOM 448 O GLU A 29 18.776 19.707 -2.962 1.00 0.00 O ATOM 449 CB GLU A 29 19.565 17.361 -0.951 1.00 0.00 C ATOM 450 CG GLU A 29 19.636 17.610 0.563 1.00 0.00 C ATOM 451 CD GLU A 29 20.757 16.763 1.197 1.00 0.00 C ATOM 452 OE1 GLU A 29 21.920 17.235 1.224 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.468 15.619 1.629 1.00 0.00 O ATOM 0 H GLU A 29 21.924 18.185 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 29 20.422 17.857 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.520 17.402 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.916 16.348 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.818 18.667 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.680 17.362 1.024 1.00 0.00 H new ATOM 460 N GLN A 30 20.081 20.792 -1.515 1.00 0.00 N ATOM 461 CA GLN A 30 19.580 22.120 -1.922 1.00 0.00 C ATOM 462 C GLN A 30 19.980 22.495 -3.363 1.00 0.00 C ATOM 463 O GLN A 30 19.185 23.103 -4.083 1.00 0.00 O ATOM 464 CB GLN A 30 19.938 23.195 -0.874 1.00 0.00 C ATOM 465 CG GLN A 30 21.432 23.450 -0.584 1.00 0.00 C ATOM 466 CD GLN A 30 22.145 24.440 -1.513 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.687 24.817 -2.582 1.00 0.00 O ATOM 468 NE2 GLN A 30 23.327 24.885 -1.145 1.00 0.00 N ATOM 0 H GLN A 30 20.765 20.813 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 30 18.492 22.067 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.494 24.137 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.457 22.920 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.525 23.814 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.958 22.496 -0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 30 23.731 24.586 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 30 23.839 25.530 -1.747 1.00 0.00 H new ATOM 477 N GLN A 31 21.150 22.047 -3.841 1.00 0.00 N ATOM 478 CA GLN A 31 21.527 22.177 -5.255 1.00 0.00 C ATOM 479 C GLN A 31 20.745 21.209 -6.144 1.00 0.00 C ATOM 480 O GLN A 31 20.360 21.580 -7.248 1.00 0.00 O ATOM 481 CB GLN A 31 23.047 22.012 -5.442 1.00 0.00 C ATOM 482 CG GLN A 31 23.856 23.228 -4.963 1.00 0.00 C ATOM 483 CD GLN A 31 23.537 24.472 -5.789 1.00 0.00 C ATOM 484 OE1 GLN A 31 24.027 24.647 -6.898 1.00 0.00 O ATOM 485 NE2 GLN A 31 22.670 25.341 -5.316 1.00 0.00 N ATOM 0 H GLN A 31 21.855 21.589 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 31 21.261 23.186 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.379 21.127 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.259 21.836 -6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.637 23.421 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.921 23.008 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 31 22.259 25.200 -4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 31 22.409 26.155 -5.872 1.00 0.00 H new ATOM 494 N PHE A 32 20.429 20.004 -5.659 1.00 0.00 N ATOM 495 CA PHE A 32 19.531 19.079 -6.366 1.00 0.00 C ATOM 496 C PHE A 32 18.101 19.651 -6.469 1.00 0.00 C ATOM 497 O PHE A 32 17.495 19.572 -7.535 1.00 0.00 O ATOM 498 CB PHE A 32 19.623 17.700 -5.683 1.00 0.00 C ATOM 499 CG PHE A 32 19.029 16.479 -6.374 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.516 16.513 -7.688 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.030 15.256 -5.674 1.00 0.00 C ATOM 502 CE1 PHE A 32 17.966 15.356 -8.269 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.482 14.099 -6.257 1.00 0.00 C ATOM 504 CZ PHE A 32 17.936 14.151 -7.549 1.00 0.00 C ATOM 0 H PHE A 32 20.784 19.643 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 32 19.841 18.952 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.678 17.493 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.146 17.787 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.546 17.434 -8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.455 15.207 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.566 15.395 -9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.481 13.168 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.495 13.268 -7.987 1.00 0.00 H new ATOM 514 N LEU A 33 17.598 20.345 -5.438 1.00 0.00 N ATOM 515 CA LEU A 33 16.330 21.099 -5.491 1.00 0.00 C ATOM 516 C LEU A 33 16.383 22.224 -6.523 1.00 0.00 C ATOM 517 O LEU A 33 15.498 22.315 -7.368 1.00 0.00 O ATOM 518 CB LEU A 33 15.979 21.565 -4.057 1.00 0.00 C ATOM 519 CG LEU A 33 14.635 22.284 -3.785 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.603 23.731 -4.278 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.453 21.534 -4.390 1.00 0.00 C ATOM 0 H LEU A 33 18.063 20.401 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 33 15.519 20.459 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.013 20.686 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.776 22.232 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 33 14.548 22.296 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.631 24.171 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.384 24.303 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.771 23.752 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.531 22.074 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.585 21.457 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.397 20.534 -3.959 1.00 0.00 H new ATOM 533 N GLU A 34 17.445 23.026 -6.519 1.00 0.00 N ATOM 534 CA GLU A 34 17.628 24.110 -7.496 1.00 0.00 C ATOM 535 C GLU A 34 17.746 23.584 -8.937 1.00 0.00 C ATOM 536 O GLU A 34 17.138 24.145 -9.850 1.00 0.00 O ATOM 537 CB GLU A 34 18.840 24.961 -7.070 1.00 0.00 C ATOM 538 CG GLU A 34 19.030 26.216 -7.929 1.00 0.00 C ATOM 539 CD GLU A 34 20.027 27.191 -7.271 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.244 26.888 -7.212 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.597 28.275 -6.803 1.00 0.00 O ATOM 0 H GLU A 34 18.204 22.948 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 34 16.740 24.743 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.719 25.257 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.741 24.351 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.392 25.933 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.070 26.713 -8.071 1.00 0.00 H new ATOM 548 N ALA A 35 18.442 22.465 -9.143 1.00 0.00 N ATOM 549 CA ALA A 35 18.559 21.808 -10.448 1.00 0.00 C ATOM 550 C ALA A 35 17.222 21.216 -10.917 1.00 0.00 C ATOM 551 O ALA A 35 16.833 21.407 -12.067 1.00 0.00 O ATOM 552 CB ALA A 35 19.664 20.743 -10.365 1.00 0.00 C ATOM 0 H ALA A 35 18.947 21.983 -8.400 1.00 0.00 H new ATOM 0 HA ALA A 35 18.831 22.549 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.763 20.245 -11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.609 21.219 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.405 20.008 -9.602 1.00 0.00 H new ATOM 558 N MET A 36 16.471 20.548 -10.035 1.00 0.00 N ATOM 559 CA MET A 36 15.136 20.013 -10.350 1.00 0.00 C ATOM 560 C MET A 36 14.132 21.133 -10.638 1.00 0.00 C ATOM 561 O MET A 36 13.386 21.044 -11.608 1.00 0.00 O ATOM 562 CB MET A 36 14.650 19.111 -9.198 1.00 0.00 C ATOM 563 CG MET A 36 15.432 17.792 -9.135 1.00 0.00 C ATOM 564 SD MET A 36 14.988 16.569 -10.405 1.00 0.00 S ATOM 565 CE MET A 36 13.580 15.765 -9.603 1.00 0.00 C ATOM 0 H MET A 36 16.770 20.361 -9.078 1.00 0.00 H new ATOM 0 HA MET A 36 15.211 19.415 -11.258 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.756 19.642 -8.252 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.589 18.898 -9.327 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.496 18.014 -9.223 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.280 17.344 -8.153 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.188 14.984 -10.254 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.902 15.323 -8.660 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.801 16.503 -9.411 1.00 0.00 H new ATOM 575 N GLU A 37 14.146 22.226 -9.874 1.00 0.00 N ATOM 576 CA GLU A 37 13.234 23.360 -10.095 1.00 0.00 C ATOM 577 C GLU A 37 13.601 24.156 -11.366 1.00 0.00 C ATOM 578 O GLU A 37 12.712 24.662 -12.056 1.00 0.00 O ATOM 579 CB GLU A 37 13.207 24.223 -8.822 1.00 0.00 C ATOM 580 CG GLU A 37 12.061 25.241 -8.821 1.00 0.00 C ATOM 581 CD GLU A 37 11.811 25.794 -7.405 1.00 0.00 C ATOM 582 OE1 GLU A 37 11.130 25.099 -6.607 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.280 26.913 -7.085 1.00 0.00 O ATOM 0 H GLU A 37 14.784 22.355 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 37 12.225 22.992 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.112 23.575 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.156 24.750 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.299 26.061 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.152 24.771 -9.197 1.00 0.00 H new ATOM 590 N SER A 38 14.888 24.190 -11.740 1.00 0.00 N ATOM 591 CA SER A 38 15.353 24.773 -13.015 1.00 0.00 C ATOM 592 C SER A 38 15.028 23.912 -14.250 1.00 0.00 C ATOM 593 O SER A 38 14.942 24.445 -15.358 1.00 0.00 O ATOM 594 CB SER A 38 16.871 25.016 -12.981 1.00 0.00 C ATOM 595 OG SER A 38 17.229 25.885 -11.920 1.00 0.00 O ATOM 0 H SER A 38 15.642 23.813 -11.166 1.00 0.00 H new ATOM 0 HA SER A 38 14.808 25.712 -13.113 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.391 24.065 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.194 25.444 -13.930 1.00 0.00 H new ATOM 0 HG SER A 38 17.130 25.416 -11.065 1.00 0.00 H new ATOM 601 N THR A 39 14.850 22.594 -14.075 1.00 0.00 N ATOM 602 CA THR A 39 14.655 21.623 -15.181 1.00 0.00 C ATOM 603 C THR A 39 13.238 21.029 -15.264 1.00 0.00 C ATOM 604 O THR A 39 12.980 20.150 -16.090 1.00 0.00 O ATOM 605 CB THR A 39 15.697 20.496 -15.129 1.00 0.00 C ATOM 606 OG1 THR A 39 15.630 19.827 -13.896 1.00 0.00 O ATOM 607 CG2 THR A 39 17.127 21.002 -15.300 1.00 0.00 C ATOM 0 H THR A 39 14.836 22.159 -13.152 1.00 0.00 H new ATOM 0 HA THR A 39 14.794 22.207 -16.090 1.00 0.00 H new ATOM 0 HB THR A 39 15.459 19.829 -15.958 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.230 20.262 -13.255 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.819 20.161 -15.254 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.224 21.500 -16.265 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.361 21.708 -14.503 1.00 0.00 H new ATOM 615 N GLY A 40 12.307 21.489 -14.424 1.00 0.00 N ATOM 616 CA GLY A 40 10.911 21.020 -14.422 1.00 0.00 C ATOM 617 C GLY A 40 10.726 19.628 -13.806 1.00 0.00 C ATOM 618 O GLY A 40 9.784 18.914 -14.150 1.00 0.00 O ATOM 0 H GLY A 40 12.498 22.202 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.298 21.735 -13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.541 21.005 -15.447 1.00 0.00 H new ATOM 622 N GLY A 41 11.643 19.223 -12.919 1.00 0.00 N ATOM 623 CA GLY A 41 11.602 17.939 -12.211 1.00 0.00 C ATOM 624 C GLY A 41 12.094 16.725 -13.001 1.00 0.00 C ATOM 625 O GLY A 41 11.931 15.602 -12.532 1.00 0.00 O ATOM 0 H GLY A 41 12.452 19.792 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.202 18.026 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.575 17.752 -11.897 1.00 0.00 H new ATOM 629 N ARG A 42 12.700 16.917 -14.181 1.00 0.00 N ATOM 630 CA ARG A 42 13.295 15.825 -14.980 1.00 0.00 C ATOM 631 C ARG A 42 14.601 15.355 -14.343 1.00 0.00 C ATOM 632 O ARG A 42 15.628 16.007 -14.520 1.00 0.00 O ATOM 633 CB ARG A 42 13.547 16.335 -16.420 1.00 0.00 C ATOM 634 CG ARG A 42 12.318 16.276 -17.336 1.00 0.00 C ATOM 635 CD ARG A 42 11.981 14.832 -17.734 1.00 0.00 C ATOM 636 NE ARG A 42 11.122 14.795 -18.933 1.00 0.00 N ATOM 637 CZ ARG A 42 9.807 14.899 -19.019 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.050 15.122 -17.981 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.232 14.773 -20.180 1.00 0.00 N ATOM 0 H ARG A 42 12.794 17.836 -14.614 1.00 0.00 H new ATOM 0 HA ARG A 42 12.610 14.978 -15.011 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.900 17.365 -16.371 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.347 15.745 -16.867 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.463 16.724 -16.829 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.502 16.868 -18.233 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.902 14.281 -17.926 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.477 14.332 -16.907 1.00 0.00 H new ATOM 0 HE ARG A 42 11.611 14.672 -19.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.469 15.223 -17.057 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.039 15.195 -18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.795 14.596 -21.012 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.218 14.851 -20.258 1.00 0.00 H new ATOM 653 N VAL A 43 14.606 14.200 -13.670 1.00 0.00 N ATOM 654 CA VAL A 43 15.793 13.731 -12.916 1.00 0.00 C ATOM 655 C VAL A 43 17.027 13.578 -13.811 1.00 0.00 C ATOM 656 O VAL A 43 18.104 14.008 -13.417 1.00 0.00 O ATOM 657 CB VAL A 43 15.482 12.467 -12.080 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.233 11.204 -12.912 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.603 12.166 -11.078 1.00 0.00 C ATOM 0 H VAL A 43 13.807 13.567 -13.627 1.00 0.00 H new ATOM 0 HA VAL A 43 16.048 14.511 -12.199 1.00 0.00 H new ATOM 0 HB VAL A 43 14.555 12.712 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.023 10.366 -12.247 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.381 11.366 -13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.118 10.981 -13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.351 11.272 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.537 12.003 -11.615 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.719 13.009 -10.397 1.00 0.00 H new ATOM 669 N ARG A 44 16.869 13.105 -15.058 1.00 0.00 N ATOM 670 CA ARG A 44 17.985 12.972 -16.024 1.00 0.00 C ATOM 671 C ARG A 44 18.652 14.312 -16.376 1.00 0.00 C ATOM 672 O ARG A 44 19.873 14.428 -16.356 1.00 0.00 O ATOM 673 CB ARG A 44 17.522 12.153 -17.252 1.00 0.00 C ATOM 674 CG ARG A 44 16.471 12.816 -18.169 1.00 0.00 C ATOM 675 CD ARG A 44 15.914 11.839 -19.219 1.00 0.00 C ATOM 676 NE ARG A 44 16.965 11.318 -20.119 1.00 0.00 N ATOM 677 CZ ARG A 44 17.363 11.807 -21.285 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.840 12.884 -21.805 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.312 11.216 -21.950 1.00 0.00 N ATOM 0 H ARG A 44 15.968 12.803 -15.430 1.00 0.00 H new ATOM 0 HA ARG A 44 18.787 12.412 -15.543 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.399 11.917 -17.854 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.115 11.206 -16.896 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.651 13.199 -17.561 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.920 13.671 -18.674 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.427 11.005 -18.713 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.150 12.343 -19.811 1.00 0.00 H new ATOM 0 HE ARG A 44 17.445 10.475 -19.802 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.098 13.380 -21.311 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.173 13.229 -22.705 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.751 10.375 -21.574 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.617 11.593 -22.847 1.00 0.00 H new ATOM 693 N ILE A 45 17.840 15.352 -16.587 1.00 0.00 N ATOM 694 CA ILE A 45 18.334 16.705 -16.913 1.00 0.00 C ATOM 695 C ILE A 45 18.906 17.373 -15.653 1.00 0.00 C ATOM 696 O ILE A 45 19.929 18.043 -15.722 1.00 0.00 O ATOM 697 CB ILE A 45 17.241 17.566 -17.601 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.572 16.815 -18.781 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.856 18.880 -18.121 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.474 17.608 -19.505 1.00 0.00 C ATOM 0 H ILE A 45 16.823 15.286 -16.538 1.00 0.00 H new ATOM 0 HA ILE A 45 19.143 16.616 -17.638 1.00 0.00 H new ATOM 0 HB ILE A 45 16.476 17.778 -16.854 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.341 16.543 -19.504 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.143 15.886 -18.406 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.082 19.478 -18.602 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.280 19.439 -17.287 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.641 18.654 -18.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.063 17.005 -20.315 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.681 17.858 -18.800 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.898 18.525 -19.915 1.00 0.00 H new ATOM 712 N ALA A 46 18.317 17.130 -14.483 1.00 0.00 N ATOM 713 CA ALA A 46 18.821 17.653 -13.212 1.00 0.00 C ATOM 714 C ALA A 46 20.197 17.063 -12.855 1.00 0.00 C ATOM 715 O ALA A 46 21.115 17.819 -12.546 1.00 0.00 O ATOM 716 CB ALA A 46 17.773 17.396 -12.127 1.00 0.00 C ATOM 0 H ALA A 46 17.474 16.563 -14.389 1.00 0.00 H new ATOM 0 HA ALA A 46 18.981 18.728 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.135 17.781 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.844 17.900 -12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.593 16.324 -12.041 1.00 0.00 H new ATOM 722 N ILE A 47 20.397 15.741 -12.981 1.00 0.00 N ATOM 723 CA ILE A 47 21.727 15.136 -12.753 1.00 0.00 C ATOM 724 C ILE A 47 22.725 15.554 -13.839 1.00 0.00 C ATOM 725 O ILE A 47 23.874 15.837 -13.510 1.00 0.00 O ATOM 726 CB ILE A 47 21.675 13.607 -12.519 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.299 12.801 -13.778 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.746 13.312 -11.332 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.262 11.280 -13.580 1.00 0.00 C ATOM 0 H ILE A 47 19.668 15.075 -13.236 1.00 0.00 H new ATOM 0 HA ILE A 47 22.100 15.541 -11.812 1.00 0.00 H new ATOM 0 HB ILE A 47 22.683 13.269 -12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.320 13.132 -14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.013 13.033 -14.568 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.704 12.236 -11.161 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.128 13.807 -10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.745 13.683 -11.552 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.989 10.797 -14.518 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.245 10.930 -13.265 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.526 11.030 -12.816 1.00 0.00 H new ATOM 741 N ALA A 48 22.288 15.727 -15.093 1.00 0.00 N ATOM 742 CA ALA A 48 23.125 16.322 -16.140 1.00 0.00 C ATOM 743 C ALA A 48 23.585 17.752 -15.788 1.00 0.00 C ATOM 744 O ALA A 48 24.771 18.063 -15.915 1.00 0.00 O ATOM 745 CB ALA A 48 22.339 16.277 -17.457 1.00 0.00 C ATOM 0 H ALA A 48 21.355 15.461 -15.407 1.00 0.00 H new ATOM 0 HA ALA A 48 24.045 15.746 -16.238 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.940 16.714 -18.254 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.104 15.242 -17.705 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.414 16.843 -17.348 1.00 0.00 H new ATOM 751 N LYS A 49 22.695 18.611 -15.266 1.00 0.00 N ATOM 752 CA LYS A 49 23.044 19.975 -14.815 1.00 0.00 C ATOM 753 C LYS A 49 23.965 19.979 -13.589 1.00 0.00 C ATOM 754 O LYS A 49 24.929 20.738 -13.564 1.00 0.00 O ATOM 755 CB LYS A 49 21.757 20.790 -14.559 1.00 0.00 C ATOM 756 CG LYS A 49 21.015 21.187 -15.848 1.00 0.00 C ATOM 757 CD LYS A 49 21.732 22.285 -16.649 1.00 0.00 C ATOM 758 CE LYS A 49 20.920 22.622 -17.910 1.00 0.00 C ATOM 759 NZ LYS A 49 21.557 23.707 -18.708 1.00 0.00 N ATOM 0 H LYS A 49 21.709 18.382 -15.143 1.00 0.00 H new ATOM 0 HA LYS A 49 23.612 20.450 -15.615 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.086 20.206 -13.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.012 21.692 -14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.898 20.305 -16.478 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.013 21.530 -15.591 1.00 0.00 H new ATOM 0 HD2 LYS A 49 21.853 23.177 -16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.732 21.951 -16.927 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.820 21.729 -18.527 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.913 22.926 -17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.979 23.904 -19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.630 24.567 -18.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.508 23.408 -19.004 1.00 0.00 H new ATOM 773 N LEU A 50 23.738 19.087 -12.619 1.00 0.00 N ATOM 774 CA LEU A 50 24.628 18.917 -11.455 1.00 0.00 C ATOM 775 C LEU A 50 26.043 18.477 -11.871 1.00 0.00 C ATOM 776 O LEU A 50 27.024 19.030 -11.379 1.00 0.00 O ATOM 777 CB LEU A 50 24.018 17.905 -10.464 1.00 0.00 C ATOM 778 CG LEU A 50 22.770 18.380 -9.698 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.193 17.209 -8.900 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.085 19.509 -8.719 1.00 0.00 C ATOM 0 H LEU A 50 22.933 18.460 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 50 24.721 19.887 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.760 16.999 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.783 17.631 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 50 22.060 18.752 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.309 17.540 -8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.919 16.404 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.940 16.847 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.173 19.809 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.817 19.164 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.490 20.361 -9.265 1.00 0.00 H new ATOM 792 N LEU A 51 26.159 17.538 -12.819 1.00 0.00 N ATOM 793 CA LEU A 51 27.453 17.098 -13.363 1.00 0.00 C ATOM 794 C LEU A 51 28.126 18.176 -14.237 1.00 0.00 C ATOM 795 O LEU A 51 29.349 18.301 -14.210 1.00 0.00 O ATOM 796 CB LEU A 51 27.258 15.787 -14.149 1.00 0.00 C ATOM 797 CG LEU A 51 26.909 14.564 -13.278 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.522 13.388 -14.174 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.072 14.126 -12.385 1.00 0.00 C ATOM 0 H LEU A 51 25.358 17.061 -13.232 1.00 0.00 H new ATOM 0 HA LEU A 51 28.128 16.924 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.465 15.933 -14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.171 15.572 -14.705 1.00 0.00 H new ATOM 0 HG LEU A 51 26.080 14.861 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.276 12.525 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.656 13.660 -14.778 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.357 13.139 -14.828 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.771 13.261 -11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.928 13.861 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.347 14.943 -11.718 1.00 0.00 H new ATOM 1252 N SER A 85 11.079 10.490 -12.339 1.00 0.00 N ATOM 1253 CA SER A 85 11.191 11.957 -12.202 1.00 0.00 C ATOM 1254 C SER A 85 10.198 12.590 -11.216 1.00 0.00 C ATOM 1255 O SER A 85 10.617 13.329 -10.330 1.00 0.00 O ATOM 1256 CB SER A 85 11.029 12.596 -13.584 1.00 0.00 C ATOM 1257 OG SER A 85 12.237 12.430 -14.312 1.00 0.00 O ATOM 0 HA SER A 85 12.177 12.152 -11.781 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.200 12.133 -14.119 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.792 13.655 -13.484 1.00 0.00 H new ATOM 0 HG SER A 85 12.142 12.835 -15.200 1.00 0.00 H new ATOM 1263 N GLN A 86 8.903 12.255 -11.289 1.00 0.00 N ATOM 1264 CA GLN A 86 7.879 12.810 -10.379 1.00 0.00 C ATOM 1265 C GLN A 86 7.996 12.271 -8.940 1.00 0.00 C ATOM 1266 O GLN A 86 7.861 13.027 -7.981 1.00 0.00 O ATOM 1267 CB GLN A 86 6.471 12.549 -10.953 1.00 0.00 C ATOM 1268 CG GLN A 86 6.178 13.295 -12.271 1.00 0.00 C ATOM 1269 CD GLN A 86 6.052 14.818 -12.145 1.00 0.00 C ATOM 1270 OE1 GLN A 86 6.125 15.412 -11.077 1.00 0.00 O ATOM 1271 NE2 GLN A 86 5.845 15.519 -13.240 1.00 0.00 N ATOM 0 H GLN A 86 8.532 11.596 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 86 8.052 13.884 -10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.352 11.479 -11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.728 12.841 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.973 13.070 -12.982 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.253 12.904 -12.693 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.780 15.048 -14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.749 16.533 -13.186 1.00 0.00 H new ATOM 1280 N GLN A 87 8.299 10.979 -8.774 1.00 0.00 N ATOM 1281 CA GLN A 87 8.473 10.334 -7.460 1.00 0.00 C ATOM 1282 C GLN A 87 9.761 10.810 -6.753 1.00 0.00 C ATOM 1283 O GLN A 87 9.737 11.183 -5.573 1.00 0.00 O ATOM 1284 CB GLN A 87 8.400 8.813 -7.703 1.00 0.00 C ATOM 1285 CG GLN A 87 8.693 7.939 -6.478 1.00 0.00 C ATOM 1286 CD GLN A 87 7.963 6.593 -6.533 1.00 0.00 C ATOM 1287 OE1 GLN A 87 7.073 6.319 -5.739 1.00 0.00 O ATOM 1288 NE2 GLN A 87 8.277 5.702 -7.450 1.00 0.00 N ATOM 0 H GLN A 87 8.433 10.340 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 87 7.685 10.618 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.405 8.568 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.106 8.553 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.767 7.764 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.397 8.473 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.015 5.903 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.782 4.811 -7.485 1.00 0.00 H new ATOM 1297 N ILE A 88 10.858 10.906 -7.512 1.00 0.00 N ATOM 1298 CA ILE A 88 12.115 11.529 -7.073 1.00 0.00 C ATOM 1299 C ILE A 88 11.877 12.998 -6.716 1.00 0.00 C ATOM 1300 O ILE A 88 12.263 13.401 -5.628 1.00 0.00 O ATOM 1301 CB ILE A 88 13.224 11.357 -8.142 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.630 9.879 -8.346 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.473 12.197 -7.806 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.458 9.234 -7.221 1.00 0.00 C ATOM 0 H ILE A 88 10.900 10.547 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 88 12.466 11.023 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 88 12.794 11.719 -9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.722 9.291 -8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.198 9.806 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.228 12.050 -8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.201 13.251 -7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.874 11.884 -6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.680 8.199 -7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.390 9.784 -7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.891 9.261 -6.290 1.00 0.00 H new ATOM 1316 N LEU A 89 11.186 13.787 -7.549 1.00 0.00 N ATOM 1317 CA LEU A 89 10.838 15.177 -7.221 1.00 0.00 C ATOM 1318 C LEU A 89 10.051 15.267 -5.912 1.00 0.00 C ATOM 1319 O LEU A 89 10.419 16.069 -5.060 1.00 0.00 O ATOM 1320 CB LEU A 89 10.041 15.807 -8.388 1.00 0.00 C ATOM 1321 CG LEU A 89 9.583 17.264 -8.163 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.765 18.237 -8.164 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.619 17.691 -9.268 1.00 0.00 C ATOM 0 H LEU A 89 10.854 13.483 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 89 11.763 15.736 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.656 15.772 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.161 15.192 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 89 9.093 17.296 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.401 19.252 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.458 17.969 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.279 18.184 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.303 18.720 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.118 17.620 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.746 17.038 -9.262 1.00 0.00 H new ATOM 1335 N ASN A 90 9.028 14.427 -5.721 1.00 0.00 N ATOM 1336 CA ASN A 90 8.224 14.435 -4.501 1.00 0.00 C ATOM 1337 C ASN A 90 9.102 14.202 -3.261 1.00 0.00 C ATOM 1338 O ASN A 90 9.191 15.085 -2.407 1.00 0.00 O ATOM 1339 CB ASN A 90 7.090 13.398 -4.645 1.00 0.00 C ATOM 1340 CG ASN A 90 6.085 13.417 -3.498 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.028 14.323 -2.680 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.242 12.413 -3.414 1.00 0.00 N ATOM 0 H ASN A 90 8.738 13.728 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 90 7.767 15.414 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.562 13.580 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.528 12.402 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.545 12.393 -2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.284 11.654 -4.094 1.00 0.00 H new ATOM 1349 N ARG A 91 9.862 13.094 -3.194 1.00 0.00 N ATOM 1350 CA ARG A 91 10.710 12.833 -2.007 1.00 0.00 C ATOM 1351 C ARG A 91 11.890 13.807 -1.889 1.00 0.00 C ATOM 1352 O ARG A 91 12.284 14.139 -0.777 1.00 0.00 O ATOM 1353 CB ARG A 91 11.101 11.343 -1.954 1.00 0.00 C ATOM 1354 CG ARG A 91 11.980 10.906 -0.760 1.00 0.00 C ATOM 1355 CD ARG A 91 11.564 11.382 0.645 1.00 0.00 C ATOM 1356 NE ARG A 91 10.138 11.157 0.939 1.00 0.00 N ATOM 1357 CZ ARG A 91 9.580 10.196 1.644 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.250 9.186 2.116 1.00 0.00 N ATOM 1359 NH2 ARG A 91 8.307 10.276 1.872 1.00 0.00 N ATOM 0 H ARG A 91 9.910 12.381 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 91 10.124 13.036 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.187 10.750 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.628 11.095 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.014 9.817 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.996 11.255 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.167 10.863 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.784 12.445 0.741 1.00 0.00 H new ATOM 0 HE ARG A 91 9.494 11.841 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.253 9.115 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.772 8.465 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.772 11.065 1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.839 9.550 2.415 1.00 0.00 H new ATOM 1373 N LEU A 92 12.403 14.354 -2.989 1.00 0.00 N ATOM 1374 CA LEU A 92 13.467 15.364 -2.952 1.00 0.00 C ATOM 1375 C LEU A 92 12.959 16.675 -2.341 1.00 0.00 C ATOM 1376 O LEU A 92 13.593 17.210 -1.433 1.00 0.00 O ATOM 1377 CB LEU A 92 14.009 15.514 -4.385 1.00 0.00 C ATOM 1378 CG LEU A 92 15.184 16.463 -4.624 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.812 17.937 -4.575 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.348 16.214 -3.669 1.00 0.00 C ATOM 0 H LEU A 92 12.096 14.112 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 92 14.287 15.056 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.306 14.524 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.185 15.841 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 92 15.497 16.231 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.700 18.543 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.067 18.150 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.401 18.176 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.153 16.917 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.012 16.353 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.712 15.195 -3.797 1.00 0.00 H new ATOM 1392 N ARG A 93 11.792 17.163 -2.778 1.00 0.00 N ATOM 1393 CA ARG A 93 11.154 18.350 -2.177 1.00 0.00 C ATOM 1394 C ARG A 93 10.818 18.121 -0.706 1.00 0.00 C ATOM 1395 O ARG A 93 11.104 18.991 0.109 1.00 0.00 O ATOM 1396 CB ARG A 93 9.913 18.807 -2.968 1.00 0.00 C ATOM 1397 CG ARG A 93 10.266 19.356 -4.361 1.00 0.00 C ATOM 1398 CD ARG A 93 9.095 20.111 -5.008 1.00 0.00 C ATOM 1399 NE ARG A 93 9.042 21.524 -4.568 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.641 22.563 -5.129 1.00 0.00 C ATOM 1401 NH1 ARG A 93 10.410 22.473 -6.173 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.511 23.769 -4.666 1.00 0.00 N ATOM 0 H ARG A 93 11.265 16.755 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 93 11.883 19.159 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.227 17.967 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.389 19.576 -2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.124 20.024 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.565 18.531 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.192 20.071 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.158 19.616 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 93 8.481 21.719 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.579 21.565 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.844 23.311 -6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.932 23.940 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.988 24.545 -5.125 1.00 0.00 H new ATOM 1416 N GLU A 94 10.323 16.940 -0.326 1.00 0.00 N ATOM 1417 CA GLU A 94 10.086 16.618 1.093 1.00 0.00 C ATOM 1418 C GLU A 94 11.385 16.652 1.922 1.00 0.00 C ATOM 1419 O GLU A 94 11.433 17.309 2.964 1.00 0.00 O ATOM 1420 CB GLU A 94 9.397 15.252 1.246 1.00 0.00 C ATOM 1421 CG GLU A 94 7.968 15.226 0.693 1.00 0.00 C ATOM 1422 CD GLU A 94 7.294 13.856 0.922 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.923 12.798 0.666 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.127 13.823 1.387 1.00 0.00 O ATOM 0 H GLU A 94 10.078 16.191 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 94 9.423 17.391 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.991 14.495 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.375 14.980 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.378 16.007 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.986 15.449 -0.374 1.00 0.00 H new ATOM 1431 N ARG A 95 12.459 16.007 1.431 1.00 0.00 N ATOM 1432 CA ARG A 95 13.784 15.990 2.086 1.00 0.00 C ATOM 1433 C ARG A 95 14.338 17.408 2.286 1.00 0.00 C ATOM 1434 O ARG A 95 14.837 17.723 3.366 1.00 0.00 O ATOM 1435 CB ARG A 95 14.753 15.108 1.262 1.00 0.00 C ATOM 1436 CG ARG A 95 16.200 15.113 1.800 1.00 0.00 C ATOM 1437 CD ARG A 95 17.204 14.405 0.880 1.00 0.00 C ATOM 1438 NE ARG A 95 17.401 12.984 1.224 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.553 12.348 1.346 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.727 12.908 1.318 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.580 11.066 1.502 1.00 0.00 N ATOM 0 H ARG A 95 12.433 15.477 0.560 1.00 0.00 H new ATOM 0 HA ARG A 95 13.677 15.560 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.381 14.084 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.757 15.454 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.520 16.145 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.216 14.633 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.858 14.479 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 95 18.162 14.922 0.932 1.00 0.00 H new ATOM 0 HE ARG A 95 16.558 12.433 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.808 13.917 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.567 12.338 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.708 10.537 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.473 10.582 1.595 1.00 0.00 H new ATOM 1455 N VAL A 96 14.266 18.250 1.250 1.00 0.00 N ATOM 1456 CA VAL A 96 14.905 19.583 1.250 1.00 0.00 C ATOM 1457 C VAL A 96 14.058 20.633 1.975 1.00 0.00 C ATOM 1458 O VAL A 96 14.611 21.444 2.721 1.00 0.00 O ATOM 1459 CB VAL A 96 15.280 20.011 -0.181 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.906 21.410 -0.221 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.326 19.043 -0.746 1.00 0.00 C ATOM 0 H VAL A 96 13.766 18.034 0.387 1.00 0.00 H new ATOM 0 HA VAL A 96 15.831 19.506 1.819 1.00 0.00 H new ATOM 0 HB VAL A 96 14.358 20.008 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.154 21.668 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.197 22.137 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.813 21.420 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.592 19.345 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.216 19.061 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.915 18.034 -0.765 1.00 0.00 H new ATOM 1471 N SER A 97 12.728 20.596 1.831 1.00 0.00 N ATOM 1472 CA SER A 97 11.824 21.469 2.596 1.00 0.00 C ATOM 1473 C SER A 97 11.686 21.030 4.069 1.00 0.00 C ATOM 1474 O SER A 97 11.351 21.854 4.924 1.00 0.00 O ATOM 1475 CB SER A 97 10.438 21.546 1.944 1.00 0.00 C ATOM 1476 OG SER A 97 10.534 22.150 0.660 1.00 0.00 O ATOM 0 H SER A 97 12.249 19.966 1.187 1.00 0.00 H new ATOM 0 HA SER A 97 12.278 22.460 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.014 20.546 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.762 22.122 2.576 1.00 0.00 H new ATOM 0 HG SER A 97 9.644 22.193 0.251 1.00 0.00 H new