USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot -71:sc= 1.09 USER MOD Set 1.2: A 27 SER OG : rot 108:sc= 0.993 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 K(o=0,f=-0.79) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 GLN : amide:sc= 0.499 K(o=0.5,f=-3.4!) USER MOD Single : A 36 MET CE :methyl -174:sc= -0.234 (180deg=-0.345) USER MOD Single : A 38 SER OG : rot 75:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -72:sc= 1.22 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -40:sc= 0.145 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.491 K(o=0.49,f=-0.0095) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.514 3.265 -0.345 1.00 0.00 N ATOM 197 CA GLU A 13 14.294 2.928 -1.548 1.00 0.00 C ATOM 198 C GLU A 13 14.380 4.127 -2.509 1.00 0.00 C ATOM 199 O GLU A 13 15.429 4.370 -3.103 1.00 0.00 O ATOM 200 CB GLU A 13 13.682 1.706 -2.252 1.00 0.00 C ATOM 201 CG GLU A 13 13.709 0.448 -1.375 1.00 0.00 C ATOM 202 CD GLU A 13 13.006 -0.729 -2.075 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.673 -1.477 -2.834 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.784 -0.915 -1.853 1.00 0.00 O ATOM 0 HA GLU A 13 15.309 2.680 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.652 1.929 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.227 1.513 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.741 0.179 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.220 0.654 -0.423 1.00 0.00 H new ATOM 211 N VAL A 14 13.309 4.928 -2.603 1.00 0.00 N ATOM 212 CA VAL A 14 13.316 6.209 -3.347 1.00 0.00 C ATOM 213 C VAL A 14 14.255 7.222 -2.670 1.00 0.00 C ATOM 214 O VAL A 14 15.032 7.896 -3.345 1.00 0.00 O ATOM 215 CB VAL A 14 11.888 6.787 -3.482 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.862 8.040 -4.366 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.916 5.778 -4.110 1.00 0.00 C ATOM 0 H VAL A 14 12.412 4.712 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 14 13.689 6.012 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 14 11.579 7.029 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.841 8.415 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.501 8.807 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.225 7.790 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.925 6.226 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.268 5.505 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.864 4.886 -3.486 1.00 0.00 H new ATOM 227 N ASP A 15 14.228 7.296 -1.337 1.00 0.00 N ATOM 228 CA ASP A 15 15.125 8.152 -0.552 1.00 0.00 C ATOM 229 C ASP A 15 16.600 7.735 -0.689 1.00 0.00 C ATOM 230 O ASP A 15 17.462 8.582 -0.917 1.00 0.00 O ATOM 231 CB ASP A 15 14.683 8.127 0.916 1.00 0.00 C ATOM 232 CG ASP A 15 15.408 9.214 1.710 1.00 0.00 C ATOM 233 OD1 ASP A 15 14.919 10.367 1.683 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.449 8.947 2.346 1.00 0.00 O ATOM 0 H ASP A 15 13.577 6.758 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 15 15.056 9.168 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.605 8.278 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.894 7.149 1.349 1.00 0.00 H new ATOM 239 N GLU A 16 16.888 6.431 -0.631 1.00 0.00 N ATOM 240 CA GLU A 16 18.223 5.873 -0.882 1.00 0.00 C ATOM 241 C GLU A 16 18.711 6.156 -2.310 1.00 0.00 C ATOM 242 O GLU A 16 19.874 6.518 -2.493 1.00 0.00 O ATOM 243 CB GLU A 16 18.198 4.361 -0.598 1.00 0.00 C ATOM 244 CG GLU A 16 19.531 3.678 -0.929 1.00 0.00 C ATOM 245 CD GLU A 16 19.513 2.204 -0.484 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.056 1.333 -1.266 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.962 1.897 0.650 1.00 0.00 O ATOM 0 H GLU A 16 16.191 5.722 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 16 18.931 6.361 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.960 4.196 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.402 3.898 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.719 3.737 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.347 4.203 -0.433 1.00 0.00 H new ATOM 254 N ALA A 17 17.840 6.043 -3.319 1.00 0.00 N ATOM 255 CA ALA A 17 18.200 6.379 -4.695 1.00 0.00 C ATOM 256 C ALA A 17 18.545 7.876 -4.836 1.00 0.00 C ATOM 257 O ALA A 17 19.560 8.224 -5.436 1.00 0.00 O ATOM 258 CB ALA A 17 17.060 5.960 -5.631 1.00 0.00 C ATOM 0 H ALA A 17 16.879 5.720 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 17 19.099 5.831 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.323 6.208 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.897 4.885 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.148 6.488 -5.352 1.00 0.00 H new ATOM 264 N ILE A 18 17.757 8.763 -4.220 1.00 0.00 N ATOM 265 CA ILE A 18 18.051 10.205 -4.150 1.00 0.00 C ATOM 266 C ILE A 18 19.399 10.465 -3.458 1.00 0.00 C ATOM 267 O ILE A 18 20.208 11.233 -3.974 1.00 0.00 O ATOM 268 CB ILE A 18 16.857 10.930 -3.472 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.736 11.096 -4.521 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.229 12.290 -2.847 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.373 11.450 -3.922 1.00 0.00 C ATOM 0 H ILE A 18 16.890 8.502 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 18 18.161 10.615 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 18 16.523 10.316 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.025 11.875 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.643 10.170 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.344 12.736 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.994 12.143 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.613 12.954 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.639 11.550 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.060 10.661 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.448 12.392 -3.379 1.00 0.00 H new ATOM 283 N ASP A 19 19.679 9.795 -2.339 1.00 0.00 N ATOM 284 CA ASP A 19 20.954 9.914 -1.617 1.00 0.00 C ATOM 285 C ASP A 19 22.146 9.411 -2.454 1.00 0.00 C ATOM 286 O ASP A 19 23.205 10.038 -2.487 1.00 0.00 O ATOM 287 CB ASP A 19 20.836 9.150 -0.288 1.00 0.00 C ATOM 288 CG ASP A 19 21.716 9.762 0.807 1.00 0.00 C ATOM 289 OD1 ASP A 19 21.278 10.766 1.416 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.810 9.223 1.084 1.00 0.00 O ATOM 0 H ASP A 19 19.023 9.148 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 19 21.153 10.967 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.796 9.151 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.120 8.109 -0.442 1.00 0.00 H new ATOM 295 N ASN A 20 21.958 8.319 -3.203 1.00 0.00 N ATOM 296 CA ASN A 20 22.957 7.789 -4.129 1.00 0.00 C ATOM 297 C ASN A 20 23.247 8.758 -5.291 1.00 0.00 C ATOM 298 O ASN A 20 24.413 8.978 -5.604 1.00 0.00 O ATOM 299 CB ASN A 20 22.489 6.409 -4.625 1.00 0.00 C ATOM 300 CG ASN A 20 23.508 5.766 -5.553 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.404 5.829 -6.770 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.534 5.147 -5.013 1.00 0.00 N ATOM 0 H ASN A 20 21.096 7.774 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 20 23.905 7.676 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.313 5.756 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.538 6.514 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.243 4.720 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.621 5.094 -3.998 1.00 0.00 H new ATOM 309 N ILE A 21 22.225 9.403 -5.872 1.00 0.00 N ATOM 310 CA ILE A 21 22.413 10.449 -6.898 1.00 0.00 C ATOM 311 C ILE A 21 23.132 11.667 -6.304 1.00 0.00 C ATOM 312 O ILE A 21 24.077 12.181 -6.905 1.00 0.00 O ATOM 313 CB ILE A 21 21.061 10.806 -7.579 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.807 9.932 -8.829 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.003 12.270 -8.052 1.00 0.00 C ATOM 316 CD1 ILE A 21 20.602 8.438 -8.561 1.00 0.00 C ATOM 0 H ILE A 21 21.247 9.218 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 21 23.059 10.063 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 21 20.306 10.629 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 21 19.926 10.315 -9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 21.651 10.048 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.038 12.463 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.132 12.934 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.799 12.451 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 21 20.432 7.919 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 21 21.489 8.030 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 21 19.738 8.300 -7.910 1.00 0.00 H new ATOM 328 N LEU A 22 22.731 12.112 -5.108 1.00 0.00 N ATOM 329 CA LEU A 22 23.342 13.245 -4.404 1.00 0.00 C ATOM 330 C LEU A 22 24.856 13.034 -4.182 1.00 0.00 C ATOM 331 O LEU A 22 25.656 13.934 -4.455 1.00 0.00 O ATOM 332 CB LEU A 22 22.556 13.409 -3.086 1.00 0.00 C ATOM 333 CG LEU A 22 23.054 14.507 -2.139 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.891 15.890 -2.759 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.236 14.472 -0.849 1.00 0.00 C ATOM 0 H LEU A 22 21.959 11.688 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 22 23.280 14.159 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.514 13.613 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.578 12.459 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 22 24.110 14.323 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.253 16.646 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.465 15.944 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.838 16.070 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.588 15.252 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.184 14.640 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.351 13.499 -0.371 1.00 0.00 H new ATOM 347 N ARG A 23 25.251 11.820 -3.767 1.00 0.00 N ATOM 348 CA ARG A 23 26.666 11.428 -3.620 1.00 0.00 C ATOM 349 C ARG A 23 27.377 11.272 -4.971 1.00 0.00 C ATOM 350 O ARG A 23 28.460 11.824 -5.150 1.00 0.00 O ATOM 351 CB ARG A 23 26.769 10.133 -2.795 1.00 0.00 C ATOM 352 CG ARG A 23 26.359 10.345 -1.331 1.00 0.00 C ATOM 353 CD ARG A 23 26.344 9.015 -0.572 1.00 0.00 C ATOM 354 NE ARG A 23 25.552 9.142 0.662 1.00 0.00 N ATOM 355 CZ ARG A 23 25.942 9.364 1.898 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.192 9.469 2.246 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.019 9.491 2.801 1.00 0.00 N ATOM 0 H ARG A 23 24.596 11.077 -3.522 1.00 0.00 H new ATOM 0 HA ARG A 23 27.176 12.234 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.134 9.368 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.792 9.760 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.053 11.035 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.371 10.804 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.923 8.232 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.363 8.715 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 23 24.544 9.042 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.926 9.379 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.437 9.642 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.036 9.418 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.277 9.664 3.773 1.00 0.00 H new ATOM 371 N TYR A 24 26.761 10.576 -5.932 1.00 0.00 N ATOM 372 CA TYR A 24 27.349 10.296 -7.250 1.00 0.00 C ATOM 373 C TYR A 24 27.663 11.573 -8.052 1.00 0.00 C ATOM 374 O TYR A 24 28.719 11.668 -8.679 1.00 0.00 O ATOM 375 CB TYR A 24 26.385 9.393 -8.035 1.00 0.00 C ATOM 376 CG TYR A 24 26.801 9.104 -9.467 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.884 8.243 -9.723 1.00 0.00 C ATOM 378 CD2 TYR A 24 26.108 9.703 -10.540 1.00 0.00 C ATOM 379 CE1 TYR A 24 28.280 7.981 -11.049 1.00 0.00 C ATOM 380 CE2 TYR A 24 26.492 9.436 -11.869 1.00 0.00 C ATOM 381 CZ TYR A 24 27.582 8.574 -12.125 1.00 0.00 C ATOM 382 OH TYR A 24 27.972 8.306 -13.404 1.00 0.00 O ATOM 0 H TYR A 24 25.826 10.185 -5.816 1.00 0.00 H new ATOM 0 HA TYR A 24 28.304 9.795 -7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.283 8.447 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.400 9.860 -8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.412 7.782 -8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.281 10.368 -10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.117 7.327 -11.243 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.955 9.889 -12.689 1.00 0.00 H new ATOM 0 HH TYR A 24 27.393 8.788 -14.030 1.00 0.00 H new ATOM 392 N THR A 25 26.781 12.580 -7.992 1.00 0.00 N ATOM 393 CA THR A 25 27.005 13.875 -8.664 1.00 0.00 C ATOM 394 C THR A 25 27.912 14.832 -7.875 1.00 0.00 C ATOM 395 O THR A 25 28.236 15.912 -8.374 1.00 0.00 O ATOM 396 CB THR A 25 25.690 14.567 -9.040 1.00 0.00 C ATOM 397 OG1 THR A 25 24.998 14.968 -7.881 1.00 0.00 O ATOM 398 CG2 THR A 25 24.742 13.708 -9.875 1.00 0.00 C ATOM 0 H THR A 25 25.899 12.525 -7.482 1.00 0.00 H new ATOM 0 HA THR A 25 27.537 13.625 -9.582 1.00 0.00 H new ATOM 0 HB THR A 25 25.987 15.420 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.640 14.178 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.837 14.274 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.231 13.427 -10.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.480 12.809 -9.318 1.00 0.00 H new ATOM 406 N ASN A 26 28.333 14.461 -6.657 1.00 0.00 N ATOM 407 CA ASN A 26 29.148 15.279 -5.751 1.00 0.00 C ATOM 408 C ASN A 26 28.528 16.675 -5.519 1.00 0.00 C ATOM 409 O ASN A 26 29.135 17.709 -5.809 1.00 0.00 O ATOM 410 CB ASN A 26 30.616 15.271 -6.225 1.00 0.00 C ATOM 411 CG ASN A 26 31.585 15.857 -5.203 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.276 16.061 -4.037 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.811 16.120 -5.600 1.00 0.00 N ATOM 0 H ASN A 26 28.106 13.548 -6.262 1.00 0.00 H new ATOM 0 HA ASN A 26 29.154 14.840 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.912 14.246 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.693 15.836 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.493 16.490 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.080 15.954 -6.570 1.00 0.00 H new ATOM 420 N SER A 27 27.268 16.672 -5.072 1.00 0.00 N ATOM 421 CA SER A 27 26.432 17.882 -4.953 1.00 0.00 C ATOM 422 C SER A 27 25.867 18.084 -3.539 1.00 0.00 C ATOM 423 O SER A 27 25.863 17.162 -2.723 1.00 0.00 O ATOM 424 CB SER A 27 25.287 17.832 -5.967 1.00 0.00 C ATOM 425 OG SER A 27 25.799 17.607 -7.269 1.00 0.00 O ATOM 0 H SER A 27 26.789 15.821 -4.778 1.00 0.00 H new ATOM 0 HA SER A 27 27.080 18.733 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.589 17.038 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.729 18.768 -5.944 1.00 0.00 H new ATOM 0 HG SER A 27 25.578 16.696 -7.554 1.00 0.00 H new ATOM 431 N THR A 28 25.357 19.288 -3.257 1.00 0.00 N ATOM 432 CA THR A 28 24.576 19.578 -2.036 1.00 0.00 C ATOM 433 C THR A 28 23.082 19.327 -2.259 1.00 0.00 C ATOM 434 O THR A 28 22.589 19.339 -3.388 1.00 0.00 O ATOM 435 CB THR A 28 24.801 21.008 -1.513 1.00 0.00 C ATOM 436 OG1 THR A 28 24.158 21.938 -2.353 1.00 0.00 O ATOM 437 CG2 THR A 28 26.274 21.399 -1.420 1.00 0.00 C ATOM 0 H THR A 28 25.472 20.096 -3.868 1.00 0.00 H new ATOM 0 HA THR A 28 24.940 18.890 -1.272 1.00 0.00 H new ATOM 0 HB THR A 28 24.384 21.023 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.306 22.844 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.357 22.419 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.789 20.719 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.730 21.338 -2.408 1.00 0.00 H new ATOM 445 N GLU A 29 22.316 19.133 -1.182 1.00 0.00 N ATOM 446 CA GLU A 29 20.856 18.957 -1.289 1.00 0.00 C ATOM 447 C GLU A 29 20.148 20.229 -1.802 1.00 0.00 C ATOM 448 O GLU A 29 19.169 20.142 -2.544 1.00 0.00 O ATOM 449 CB GLU A 29 20.300 18.447 0.053 1.00 0.00 C ATOM 450 CG GLU A 29 20.294 19.488 1.184 1.00 0.00 C ATOM 451 CD GLU A 29 19.861 18.848 2.519 1.00 0.00 C ATOM 452 OE1 GLU A 29 18.641 18.792 2.806 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.743 18.409 3.297 1.00 0.00 O ATOM 0 H GLU A 29 22.676 19.093 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 29 20.646 18.201 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.281 18.094 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.890 17.588 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.288 19.922 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 29 19.616 20.303 0.930 1.00 0.00 H new ATOM 460 N GLN A 30 20.701 21.410 -1.493 1.00 0.00 N ATOM 461 CA GLN A 30 20.227 22.691 -2.036 1.00 0.00 C ATOM 462 C GLN A 30 20.505 22.802 -3.546 1.00 0.00 C ATOM 463 O GLN A 30 19.630 23.239 -4.293 1.00 0.00 O ATOM 464 CB GLN A 30 20.864 23.864 -1.269 1.00 0.00 C ATOM 465 CG GLN A 30 20.389 23.932 0.196 1.00 0.00 C ATOM 466 CD GLN A 30 20.958 25.125 0.972 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.729 25.942 0.480 1.00 0.00 O ATOM 468 NE2 GLN A 30 20.595 25.278 2.229 1.00 0.00 N ATOM 0 H GLN A 30 21.493 21.504 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 30 19.146 22.735 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.949 23.764 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.619 24.800 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.300 23.984 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.673 23.010 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.955 24.611 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.954 26.063 2.772 1.00 0.00 H new ATOM 477 N GLN A 31 21.672 22.341 -4.020 1.00 0.00 N ATOM 478 CA GLN A 31 21.967 22.257 -5.461 1.00 0.00 C ATOM 479 C GLN A 31 21.020 21.286 -6.179 1.00 0.00 C ATOM 480 O GLN A 31 20.558 21.589 -7.275 1.00 0.00 O ATOM 481 CB GLN A 31 23.425 21.819 -5.676 1.00 0.00 C ATOM 482 CG GLN A 31 24.440 22.937 -5.387 1.00 0.00 C ATOM 483 CD GLN A 31 25.881 22.429 -5.278 1.00 0.00 C ATOM 484 OE1 GLN A 31 26.174 21.240 -5.344 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.843 23.308 -5.099 1.00 0.00 N ATOM 0 H GLN A 31 22.433 22.018 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 31 21.816 23.249 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.640 20.966 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.549 21.481 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.384 23.684 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 31 24.166 23.436 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.621 24.302 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.811 22.996 -5.018 1.00 0.00 H new ATOM 494 N PHE A 32 20.678 20.143 -5.569 1.00 0.00 N ATOM 495 CA PHE A 32 19.736 19.180 -6.165 1.00 0.00 C ATOM 496 C PHE A 32 18.303 19.745 -6.216 1.00 0.00 C ATOM 497 O PHE A 32 17.645 19.643 -7.250 1.00 0.00 O ATOM 498 CB PHE A 32 19.849 17.835 -5.421 1.00 0.00 C ATOM 499 CG PHE A 32 19.257 16.579 -6.063 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.627 16.579 -7.329 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.378 15.360 -5.371 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.095 15.392 -7.863 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.861 14.170 -5.913 1.00 0.00 C ATOM 504 CZ PHE A 32 18.204 14.188 -7.153 1.00 0.00 C ATOM 0 H PHE A 32 21.041 19.860 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 32 20.001 19.000 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.908 17.646 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.379 17.958 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.554 17.499 -7.891 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.874 15.338 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.601 15.408 -8.823 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.970 13.240 -5.374 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.785 13.279 -7.558 1.00 0.00 H new ATOM 514 N LEU A 33 17.852 20.441 -5.168 1.00 0.00 N ATOM 515 CA LEU A 33 16.579 21.179 -5.177 1.00 0.00 C ATOM 516 C LEU A 33 16.551 22.250 -6.274 1.00 0.00 C ATOM 517 O LEU A 33 15.616 22.286 -7.071 1.00 0.00 O ATOM 518 CB LEU A 33 16.328 21.716 -3.752 1.00 0.00 C ATOM 519 CG LEU A 33 14.966 22.373 -3.433 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.786 23.759 -4.052 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.779 21.492 -3.831 1.00 0.00 C ATOM 0 H LEU A 33 18.359 20.511 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 33 15.751 20.519 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.465 20.887 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.106 22.447 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 33 14.981 22.490 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.806 24.153 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.561 24.428 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.862 23.686 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.848 22.003 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.813 21.298 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.829 20.547 -3.289 1.00 0.00 H new ATOM 533 N GLU A 34 17.608 23.055 -6.385 1.00 0.00 N ATOM 534 CA GLU A 34 17.721 24.094 -7.417 1.00 0.00 C ATOM 535 C GLU A 34 17.757 23.514 -8.840 1.00 0.00 C ATOM 536 O GLU A 34 17.095 24.038 -9.736 1.00 0.00 O ATOM 537 CB GLU A 34 18.954 24.966 -7.119 1.00 0.00 C ATOM 538 CG GLU A 34 19.076 26.164 -8.069 1.00 0.00 C ATOM 539 CD GLU A 34 20.243 27.078 -7.650 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.408 26.807 -8.033 1.00 0.00 O ATOM 541 OE2 GLU A 34 20.005 28.085 -6.934 1.00 0.00 O ATOM 0 H GLU A 34 18.414 23.007 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 34 16.826 24.715 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.899 25.326 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.853 24.355 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.233 25.811 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.145 26.731 -8.068 1.00 0.00 H new ATOM 548 N ALA A 35 18.462 22.402 -9.048 1.00 0.00 N ATOM 549 CA ALA A 35 18.514 21.707 -10.339 1.00 0.00 C ATOM 550 C ALA A 35 17.152 21.109 -10.725 1.00 0.00 C ATOM 551 O ALA A 35 16.722 21.253 -11.865 1.00 0.00 O ATOM 552 CB ALA A 35 19.618 20.640 -10.278 1.00 0.00 C ATOM 0 H ALA A 35 19.018 21.953 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 35 18.753 22.424 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.669 20.114 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.576 21.119 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.393 19.929 -9.483 1.00 0.00 H new ATOM 558 N MET A 36 16.429 20.494 -9.784 1.00 0.00 N ATOM 559 CA MET A 36 15.070 19.975 -10.029 1.00 0.00 C ATOM 560 C MET A 36 14.065 21.104 -10.298 1.00 0.00 C ATOM 561 O MET A 36 13.264 20.990 -11.222 1.00 0.00 O ATOM 562 CB MET A 36 14.631 19.093 -8.847 1.00 0.00 C ATOM 563 CG MET A 36 15.414 17.772 -8.808 1.00 0.00 C ATOM 564 SD MET A 36 14.979 16.574 -10.101 1.00 0.00 S ATOM 565 CE MET A 36 13.440 15.905 -9.415 1.00 0.00 C ATOM 0 H MET A 36 16.763 20.340 -8.833 1.00 0.00 H new ATOM 0 HA MET A 36 15.092 19.364 -10.931 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.781 19.634 -7.913 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.564 18.883 -8.925 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.478 17.997 -8.887 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.258 17.305 -7.836 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.095 15.078 -10.035 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.619 15.548 -8.401 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.680 16.686 -9.396 1.00 0.00 H new ATOM 575 N GLU A 37 14.155 22.224 -9.574 1.00 0.00 N ATOM 576 CA GLU A 37 13.311 23.406 -9.810 1.00 0.00 C ATOM 577 C GLU A 37 13.603 24.054 -11.180 1.00 0.00 C ATOM 578 O GLU A 37 12.678 24.440 -11.897 1.00 0.00 O ATOM 579 CB GLU A 37 13.532 24.409 -8.661 1.00 0.00 C ATOM 580 CG GLU A 37 12.487 25.529 -8.572 1.00 0.00 C ATOM 581 CD GLU A 37 11.196 25.073 -7.856 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.563 24.075 -8.269 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.797 25.686 -6.836 1.00 0.00 O ATOM 0 H GLU A 37 14.816 22.340 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 37 12.266 23.098 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.539 23.863 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.518 24.860 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.914 26.379 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.240 25.873 -9.576 1.00 0.00 H new ATOM 590 N SER A 38 14.880 24.102 -11.583 1.00 0.00 N ATOM 591 CA SER A 38 15.314 24.678 -12.868 1.00 0.00 C ATOM 592 C SER A 38 14.985 23.798 -14.085 1.00 0.00 C ATOM 593 O SER A 38 14.883 24.309 -15.201 1.00 0.00 O ATOM 594 CB SER A 38 16.826 24.944 -12.852 1.00 0.00 C ATOM 595 OG SER A 38 17.185 25.817 -11.796 1.00 0.00 O ATOM 0 H SER A 38 15.651 23.739 -11.022 1.00 0.00 H new ATOM 0 HA SER A 38 14.754 25.607 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.362 24.001 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.131 25.378 -13.804 1.00 0.00 H new ATOM 0 HG SER A 38 17.153 25.332 -10.945 1.00 0.00 H new ATOM 601 N THR A 39 14.815 22.483 -13.883 1.00 0.00 N ATOM 602 CA THR A 39 14.565 21.500 -14.965 1.00 0.00 C ATOM 603 C THR A 39 13.119 20.990 -15.024 1.00 0.00 C ATOM 604 O THR A 39 12.797 20.141 -15.858 1.00 0.00 O ATOM 605 CB THR A 39 15.544 20.315 -14.886 1.00 0.00 C ATOM 606 OG1 THR A 39 15.429 19.668 -13.642 1.00 0.00 O ATOM 607 CG2 THR A 39 16.998 20.750 -15.059 1.00 0.00 C ATOM 0 H THR A 39 14.846 22.060 -12.955 1.00 0.00 H new ATOM 0 HA THR A 39 14.737 22.048 -15.891 1.00 0.00 H new ATOM 0 HB THR A 39 15.279 19.641 -15.701 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.813 20.236 -12.941 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.649 19.878 -14.995 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.122 21.225 -16.032 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.262 21.458 -14.273 1.00 0.00 H new ATOM 615 N GLY A 40 12.233 21.487 -14.151 1.00 0.00 N ATOM 616 CA GLY A 40 10.825 21.060 -14.098 1.00 0.00 C ATOM 617 C GLY A 40 10.645 19.643 -13.539 1.00 0.00 C ATOM 618 O GLY A 40 9.695 18.947 -13.901 1.00 0.00 O ATOM 0 H GLY A 40 12.471 22.198 -13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.262 21.761 -13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.400 21.105 -15.101 1.00 0.00 H new ATOM 622 N GLY A 41 11.581 19.199 -12.691 1.00 0.00 N ATOM 623 CA GLY A 41 11.558 17.877 -12.055 1.00 0.00 C ATOM 624 C GLY A 41 12.055 16.715 -12.914 1.00 0.00 C ATOM 625 O GLY A 41 11.921 15.569 -12.491 1.00 0.00 O ATOM 0 H GLY A 41 12.390 19.759 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.164 17.920 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.536 17.662 -11.744 1.00 0.00 H new ATOM 629 N ARG A 42 12.647 16.957 -14.093 1.00 0.00 N ATOM 630 CA ARG A 42 13.251 15.885 -14.910 1.00 0.00 C ATOM 631 C ARG A 42 14.573 15.434 -14.300 1.00 0.00 C ATOM 632 O ARG A 42 15.611 16.039 -14.553 1.00 0.00 O ATOM 633 CB ARG A 42 13.416 16.341 -16.371 1.00 0.00 C ATOM 634 CG ARG A 42 12.110 16.166 -17.161 1.00 0.00 C ATOM 635 CD ARG A 42 12.434 15.913 -18.637 1.00 0.00 C ATOM 636 NE ARG A 42 11.250 15.448 -19.384 1.00 0.00 N ATOM 637 CZ ARG A 42 10.242 16.154 -19.871 1.00 0.00 C ATOM 638 NH1 ARG A 42 10.154 17.446 -19.738 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.292 15.536 -20.512 1.00 0.00 N ATOM 0 H ARG A 42 12.722 17.887 -14.506 1.00 0.00 H new ATOM 0 HA ARG A 42 12.581 15.025 -14.915 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.721 17.387 -16.395 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.211 15.766 -16.846 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.537 15.332 -16.756 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.490 17.057 -17.062 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.812 16.830 -19.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.227 15.169 -18.713 1.00 0.00 H new ATOM 0 HE ARG A 42 11.201 14.442 -19.548 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.882 17.958 -19.240 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.357 17.946 -20.131 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.332 14.524 -20.632 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.507 16.064 -20.894 1.00 0.00 H new ATOM 653 N VAL A 43 14.558 14.319 -13.570 1.00 0.00 N ATOM 654 CA VAL A 43 15.747 13.805 -12.856 1.00 0.00 C ATOM 655 C VAL A 43 16.939 13.574 -13.794 1.00 0.00 C ATOM 656 O VAL A 43 18.056 13.908 -13.420 1.00 0.00 O ATOM 657 CB VAL A 43 15.403 12.580 -11.973 1.00 0.00 C ATOM 658 CG1 VAL A 43 14.820 11.399 -12.753 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.614 12.096 -11.165 1.00 0.00 C ATOM 0 H VAL A 43 13.726 13.740 -13.451 1.00 0.00 H new ATOM 0 HA VAL A 43 16.074 14.585 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 43 14.630 12.943 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.605 10.580 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.900 11.709 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.540 11.066 -13.501 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.328 11.236 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.415 11.810 -11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.961 12.898 -10.514 1.00 0.00 H new ATOM 669 N ARG A 44 16.720 13.159 -15.053 1.00 0.00 N ATOM 670 CA ARG A 44 17.805 13.003 -16.054 1.00 0.00 C ATOM 671 C ARG A 44 18.533 14.316 -16.386 1.00 0.00 C ATOM 672 O ARG A 44 19.763 14.371 -16.385 1.00 0.00 O ATOM 673 CB ARG A 44 17.273 12.249 -17.298 1.00 0.00 C ATOM 674 CG ARG A 44 16.223 12.984 -18.161 1.00 0.00 C ATOM 675 CD ARG A 44 15.561 12.038 -19.172 1.00 0.00 C ATOM 676 NE ARG A 44 16.476 11.621 -20.254 1.00 0.00 N ATOM 677 CZ ARG A 44 16.256 10.645 -21.118 1.00 0.00 C ATOM 678 NH1 ARG A 44 15.214 9.868 -21.051 1.00 0.00 N ATOM 679 NH2 ARG A 44 17.082 10.418 -22.098 1.00 0.00 N ATOM 0 H ARG A 44 15.794 12.922 -15.410 1.00 0.00 H new ATOM 0 HA ARG A 44 18.586 12.389 -15.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.123 12.001 -17.934 1.00 0.00 H new ATOM 0 HB3 ARG A 44 16.839 11.306 -16.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.460 13.419 -17.515 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.700 13.809 -18.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.197 11.153 -18.650 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.692 12.531 -19.608 1.00 0.00 H new ATOM 0 HE ARG A 44 17.355 12.131 -20.342 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.526 10.000 -20.309 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.085 9.127 -21.740 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.914 10.997 -22.208 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.897 9.661 -22.756 1.00 0.00 H new ATOM 693 N ILE A 45 17.776 15.401 -16.567 1.00 0.00 N ATOM 694 CA ILE A 45 18.340 16.739 -16.853 1.00 0.00 C ATOM 695 C ILE A 45 18.933 17.337 -15.571 1.00 0.00 C ATOM 696 O ILE A 45 19.982 17.970 -15.614 1.00 0.00 O ATOM 697 CB ILE A 45 17.303 17.683 -17.514 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.618 17.002 -18.724 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.990 18.987 -17.971 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.596 17.878 -19.462 1.00 0.00 C ATOM 0 H ILE A 45 16.757 15.386 -16.521 1.00 0.00 H new ATOM 0 HA ILE A 45 19.142 16.625 -17.582 1.00 0.00 H new ATOM 0 HB ILE A 45 16.538 17.915 -16.773 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.387 16.691 -19.431 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.118 16.097 -18.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.253 19.643 -18.434 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.431 19.487 -17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.772 18.752 -18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.169 17.317 -20.293 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.802 18.168 -18.774 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.091 18.771 -19.843 1.00 0.00 H new ATOM 712 N ALA A 46 18.328 17.077 -14.412 1.00 0.00 N ATOM 713 CA ALA A 46 18.853 17.515 -13.122 1.00 0.00 C ATOM 714 C ALA A 46 20.208 16.859 -12.814 1.00 0.00 C ATOM 715 O ALA A 46 21.158 17.572 -12.504 1.00 0.00 O ATOM 716 CB ALA A 46 17.810 17.250 -12.029 1.00 0.00 C ATOM 0 H ALA A 46 17.455 16.554 -14.343 1.00 0.00 H new ATOM 0 HA ALA A 46 19.041 18.588 -13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.201 17.577 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.897 17.801 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.589 16.183 -11.988 1.00 0.00 H new ATOM 722 N ILE A 47 20.366 15.540 -12.989 1.00 0.00 N ATOM 723 CA ILE A 47 21.676 14.885 -12.803 1.00 0.00 C ATOM 724 C ILE A 47 22.681 15.306 -13.881 1.00 0.00 C ATOM 725 O ILE A 47 23.838 15.535 -13.543 1.00 0.00 O ATOM 726 CB ILE A 47 21.592 13.351 -12.622 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.158 12.594 -13.894 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.695 13.038 -11.412 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.066 11.070 -13.733 1.00 0.00 C ATOM 0 H ILE A 47 19.613 14.907 -13.257 1.00 0.00 H new ATOM 0 HA ILE A 47 22.059 15.251 -11.850 1.00 0.00 H new ATOM 0 HB ILE A 47 22.599 12.981 -12.429 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.186 12.972 -14.211 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.864 12.819 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.630 11.958 -11.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.121 13.491 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.698 13.443 -11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.754 10.623 -14.677 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.041 10.675 -13.449 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.337 10.829 -12.959 1.00 0.00 H new ATOM 741 N ALA A 48 22.255 15.530 -15.131 1.00 0.00 N ATOM 742 CA ALA A 48 23.119 16.135 -16.156 1.00 0.00 C ATOM 743 C ALA A 48 23.643 17.528 -15.741 1.00 0.00 C ATOM 744 O ALA A 48 24.844 17.800 -15.830 1.00 0.00 O ATOM 745 CB ALA A 48 22.318 16.186 -17.462 1.00 0.00 C ATOM 0 H ALA A 48 21.316 15.301 -15.458 1.00 0.00 H new ATOM 0 HA ALA A 48 24.014 15.527 -16.288 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.930 16.630 -18.247 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.032 15.175 -17.753 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.422 16.789 -17.316 1.00 0.00 H new ATOM 751 N LYS A 49 22.768 18.383 -15.191 1.00 0.00 N ATOM 752 CA LYS A 49 23.121 19.715 -14.661 1.00 0.00 C ATOM 753 C LYS A 49 24.053 19.614 -13.449 1.00 0.00 C ATOM 754 O LYS A 49 25.065 20.305 -13.410 1.00 0.00 O ATOM 755 CB LYS A 49 21.809 20.465 -14.344 1.00 0.00 C ATOM 756 CG LYS A 49 21.997 21.967 -14.092 1.00 0.00 C ATOM 757 CD LYS A 49 22.282 22.751 -15.385 1.00 0.00 C ATOM 758 CE LYS A 49 22.410 24.239 -15.044 1.00 0.00 C ATOM 759 NZ LYS A 49 22.548 25.088 -16.262 1.00 0.00 N ATOM 0 H LYS A 49 21.775 18.167 -15.099 1.00 0.00 H new ATOM 0 HA LYS A 49 23.683 20.279 -15.406 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.115 20.330 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.347 20.014 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.101 22.367 -13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.820 22.114 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.199 22.390 -15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.478 22.597 -16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.533 24.557 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.276 24.389 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.631 26.086 -15.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.399 24.804 -16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.710 24.967 -16.866 1.00 0.00 H new ATOM 773 N LEU A 50 23.776 18.708 -12.510 1.00 0.00 N ATOM 774 CA LEU A 50 24.614 18.473 -11.324 1.00 0.00 C ATOM 775 C LEU A 50 25.989 17.882 -11.671 1.00 0.00 C ATOM 776 O LEU A 50 26.958 18.199 -10.990 1.00 0.00 O ATOM 777 CB LEU A 50 23.883 17.545 -10.335 1.00 0.00 C ATOM 778 CG LEU A 50 22.656 18.117 -9.608 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.107 17.036 -8.675 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.989 19.362 -8.789 1.00 0.00 C ATOM 0 H LEU A 50 22.953 18.107 -12.549 1.00 0.00 H new ATOM 0 HA LEU A 50 24.789 19.446 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.568 16.654 -10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.601 17.222 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 50 21.922 18.411 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.234 17.420 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.822 16.161 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.873 16.755 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.087 19.725 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.738 19.113 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.380 20.137 -9.448 1.00 0.00 H new ATOM 792 N LEU A 51 26.103 17.061 -12.717 1.00 0.00 N ATOM 793 CA LEU A 51 27.394 16.557 -13.212 1.00 0.00 C ATOM 794 C LEU A 51 28.196 17.650 -13.942 1.00 0.00 C ATOM 795 O LEU A 51 29.415 17.722 -13.786 1.00 0.00 O ATOM 796 CB LEU A 51 27.157 15.346 -14.136 1.00 0.00 C ATOM 797 CG LEU A 51 26.716 14.066 -13.399 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.200 13.034 -14.402 1.00 0.00 C ATOM 799 CD2 LEU A 51 27.862 13.430 -12.607 1.00 0.00 C ATOM 0 H LEU A 51 25.301 16.723 -13.250 1.00 0.00 H new ATOM 0 HA LEU A 51 27.989 16.246 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.397 15.608 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.075 15.137 -14.686 1.00 0.00 H new ATOM 0 HG LEU A 51 25.930 14.359 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.891 12.134 -13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.348 13.447 -14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.992 12.785 -15.108 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.503 12.532 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.672 13.166 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.228 14.139 -11.864 1.00 0.00 H new ATOM 1252 N SER A 85 10.324 11.388 -12.975 1.00 0.00 N ATOM 1253 CA SER A 85 10.273 12.803 -12.586 1.00 0.00 C ATOM 1254 C SER A 85 9.389 13.095 -11.374 1.00 0.00 C ATOM 1255 O SER A 85 9.863 13.676 -10.401 1.00 0.00 O ATOM 1256 CB SER A 85 9.821 13.643 -13.791 1.00 0.00 C ATOM 1257 OG SER A 85 8.582 13.165 -14.302 1.00 0.00 O ATOM 0 HA SER A 85 11.282 13.075 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.719 14.687 -13.495 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.581 13.606 -14.572 1.00 0.00 H new ATOM 0 HG SER A 85 8.577 12.185 -14.283 1.00 0.00 H new ATOM 1263 N GLN A 86 8.122 12.672 -11.390 1.00 0.00 N ATOM 1264 CA GLN A 86 7.152 13.071 -10.359 1.00 0.00 C ATOM 1265 C GLN A 86 7.431 12.418 -8.998 1.00 0.00 C ATOM 1266 O GLN A 86 7.399 13.107 -7.979 1.00 0.00 O ATOM 1267 CB GLN A 86 5.720 12.781 -10.840 1.00 0.00 C ATOM 1268 CG GLN A 86 5.326 13.650 -12.048 1.00 0.00 C ATOM 1269 CD GLN A 86 3.875 13.409 -12.468 1.00 0.00 C ATOM 1270 OE1 GLN A 86 2.964 14.144 -12.108 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.594 12.369 -13.228 1.00 0.00 N ATOM 0 H GLN A 86 7.741 12.053 -12.105 1.00 0.00 H new ATOM 0 HA GLN A 86 7.261 14.145 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.635 11.728 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.021 12.959 -10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.463 14.702 -11.800 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.989 13.431 -12.885 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.341 11.746 -13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.630 12.187 -13.507 1.00 0.00 H new ATOM 1280 N GLN A 87 7.784 11.127 -8.960 1.00 0.00 N ATOM 1281 CA GLN A 87 8.106 10.436 -7.702 1.00 0.00 C ATOM 1282 C GLN A 87 9.415 10.952 -7.088 1.00 0.00 C ATOM 1283 O GLN A 87 9.471 11.195 -5.876 1.00 0.00 O ATOM 1284 CB GLN A 87 8.136 8.914 -7.949 1.00 0.00 C ATOM 1285 CG GLN A 87 8.483 8.059 -6.714 1.00 0.00 C ATOM 1286 CD GLN A 87 7.501 8.225 -5.549 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.542 7.480 -5.405 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.688 9.200 -4.680 1.00 0.00 N ATOM 0 H GLN A 87 7.854 10.537 -9.789 1.00 0.00 H new ATOM 0 HA GLN A 87 7.328 10.652 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.161 8.603 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.862 8.703 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.510 7.009 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.484 8.321 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.483 9.831 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.038 9.323 -3.904 1.00 0.00 H new ATOM 1297 N ILE A 88 10.445 11.173 -7.913 1.00 0.00 N ATOM 1298 CA ILE A 88 11.719 11.743 -7.450 1.00 0.00 C ATOM 1299 C ILE A 88 11.522 13.194 -7.009 1.00 0.00 C ATOM 1300 O ILE A 88 11.978 13.539 -5.928 1.00 0.00 O ATOM 1301 CB ILE A 88 12.836 11.581 -8.513 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.152 10.095 -8.817 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.121 12.315 -8.084 1.00 0.00 C ATOM 1304 CD1 ILE A 88 13.843 9.310 -7.691 1.00 0.00 C ATOM 0 H ILE A 88 10.422 10.965 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 88 12.056 11.183 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 88 12.457 12.033 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.219 9.589 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.784 10.053 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.887 12.184 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.909 13.377 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.477 11.904 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.015 8.284 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.797 9.780 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.208 9.309 -6.805 1.00 0.00 H new ATOM 1316 N LEU A 89 10.791 14.031 -7.758 1.00 0.00 N ATOM 1317 CA LEU A 89 10.513 15.415 -7.348 1.00 0.00 C ATOM 1318 C LEU A 89 9.734 15.462 -6.035 1.00 0.00 C ATOM 1319 O LEU A 89 10.111 16.227 -5.154 1.00 0.00 O ATOM 1320 CB LEU A 89 9.749 16.142 -8.478 1.00 0.00 C ATOM 1321 CG LEU A 89 9.353 17.604 -8.170 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.579 18.513 -8.040 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.462 18.157 -9.279 1.00 0.00 C ATOM 0 H LEU A 89 10.380 13.772 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 89 11.460 15.926 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.365 16.131 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.845 15.578 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 89 8.819 17.593 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.256 19.531 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.214 18.154 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.141 18.502 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.191 19.187 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.000 18.127 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.558 17.553 -9.355 1.00 0.00 H new ATOM 1335 N ASN A 90 8.714 14.615 -5.870 1.00 0.00 N ATOM 1336 CA ASN A 90 7.953 14.531 -4.623 1.00 0.00 C ATOM 1337 C ASN A 90 8.871 14.192 -3.441 1.00 0.00 C ATOM 1338 O ASN A 90 8.960 14.987 -2.503 1.00 0.00 O ATOM 1339 CB ASN A 90 6.809 13.515 -4.806 1.00 0.00 C ATOM 1340 CG ASN A 90 6.012 13.309 -3.527 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.241 12.376 -2.771 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.073 14.182 -3.231 1.00 0.00 N ATOM 0 H ASN A 90 8.395 13.972 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 90 7.511 15.499 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.142 13.860 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.222 12.560 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.535 14.081 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.883 14.960 -3.862 1.00 0.00 H new ATOM 1349 N ARG A 91 9.632 13.082 -3.497 1.00 0.00 N ATOM 1350 CA ARG A 91 10.498 12.721 -2.355 1.00 0.00 C ATOM 1351 C ARG A 91 11.634 13.724 -2.151 1.00 0.00 C ATOM 1352 O ARG A 91 11.945 14.030 -1.011 1.00 0.00 O ATOM 1353 CB ARG A 91 10.970 11.253 -2.445 1.00 0.00 C ATOM 1354 CG ARG A 91 11.852 10.806 -1.252 1.00 0.00 C ATOM 1355 CD ARG A 91 11.153 10.902 0.116 1.00 0.00 C ATOM 1356 NE ARG A 91 12.106 10.773 1.238 1.00 0.00 N ATOM 1357 CZ ARG A 91 11.825 10.821 2.528 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.608 10.912 2.980 1.00 0.00 N ATOM 1359 NH2 ARG A 91 12.798 10.785 3.387 1.00 0.00 N ATOM 0 H ARG A 91 9.667 12.440 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 91 9.897 12.786 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.097 10.603 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.530 11.117 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.169 9.776 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.754 11.418 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.633 11.857 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.397 10.121 0.192 1.00 0.00 H new ATOM 0 HE ARG A 91 13.085 10.632 0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.824 10.949 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.439 10.946 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.763 10.721 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.598 10.821 4.386 1.00 0.00 H new ATOM 1373 N LEU A 92 12.211 14.284 -3.214 1.00 0.00 N ATOM 1374 CA LEU A 92 13.297 15.274 -3.125 1.00 0.00 C ATOM 1375 C LEU A 92 12.816 16.585 -2.492 1.00 0.00 C ATOM 1376 O LEU A 92 13.426 17.073 -1.543 1.00 0.00 O ATOM 1377 CB LEU A 92 13.858 15.453 -4.553 1.00 0.00 C ATOM 1378 CG LEU A 92 15.060 16.378 -4.784 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.729 17.864 -4.693 1.00 0.00 C ATOM 1380 CD2 LEU A 92 16.232 16.072 -3.857 1.00 0.00 C ATOM 0 H LEU A 92 11.939 14.065 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 92 14.092 14.929 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.131 14.465 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.043 15.814 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 92 15.352 16.163 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.632 18.449 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.981 18.117 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.337 18.089 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.052 16.759 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.917 16.191 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.566 15.047 -4.019 1.00 0.00 H new ATOM 1392 N ARG A 93 11.691 17.133 -2.967 1.00 0.00 N ATOM 1393 CA ARG A 93 11.122 18.386 -2.436 1.00 0.00 C ATOM 1394 C ARG A 93 10.664 18.220 -0.985 1.00 0.00 C ATOM 1395 O ARG A 93 10.912 19.102 -0.172 1.00 0.00 O ATOM 1396 CB ARG A 93 9.988 18.876 -3.359 1.00 0.00 C ATOM 1397 CG ARG A 93 9.679 20.364 -3.143 1.00 0.00 C ATOM 1398 CD ARG A 93 8.543 20.848 -4.055 1.00 0.00 C ATOM 1399 NE ARG A 93 8.550 22.326 -4.166 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.099 23.057 -5.123 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.662 22.534 -6.169 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.115 24.354 -5.056 1.00 0.00 N ATOM 0 H ARG A 93 11.148 16.725 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 93 11.898 19.151 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.269 18.711 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.089 18.288 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.405 20.531 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.576 20.953 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.651 20.404 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.585 20.513 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 93 8.078 22.838 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.694 21.520 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.073 23.137 -6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.699 24.828 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.543 24.898 -5.805 1.00 0.00 H new ATOM 1416 N GLU A 94 10.110 17.061 -0.629 1.00 0.00 N ATOM 1417 CA GLU A 94 9.790 16.746 0.773 1.00 0.00 C ATOM 1418 C GLU A 94 11.057 16.608 1.641 1.00 0.00 C ATOM 1419 O GLU A 94 11.125 17.204 2.719 1.00 0.00 O ATOM 1420 CB GLU A 94 8.933 15.475 0.844 1.00 0.00 C ATOM 1421 CG GLU A 94 7.528 15.676 0.264 1.00 0.00 C ATOM 1422 CD GLU A 94 6.648 16.534 1.196 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.066 15.984 2.163 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.525 17.761 0.966 1.00 0.00 O ATOM 0 H GLU A 94 9.871 16.321 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 94 9.220 17.581 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.434 14.673 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.851 15.155 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.602 16.156 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.056 14.706 0.107 1.00 0.00 H new ATOM 1431 N ARG A 95 12.088 15.896 1.159 1.00 0.00 N ATOM 1432 CA ARG A 95 13.363 15.692 1.874 1.00 0.00 C ATOM 1433 C ARG A 95 14.086 17.013 2.181 1.00 0.00 C ATOM 1434 O ARG A 95 14.598 17.183 3.287 1.00 0.00 O ATOM 1435 CB ARG A 95 14.246 14.755 1.025 1.00 0.00 C ATOM 1436 CG ARG A 95 15.514 14.248 1.730 1.00 0.00 C ATOM 1437 CD ARG A 95 16.377 13.448 0.738 1.00 0.00 C ATOM 1438 NE ARG A 95 16.955 12.247 1.367 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.220 11.898 1.503 1.00 0.00 C ATOM 1440 NH1 ARG A 95 19.229 12.649 1.171 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.530 10.736 1.975 1.00 0.00 N ATOM 0 H ARG A 95 12.061 15.438 0.248 1.00 0.00 H new ATOM 0 HA ARG A 95 13.155 15.239 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.649 13.896 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.538 15.280 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.083 15.090 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.243 13.620 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.770 13.154 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.178 14.082 0.359 1.00 0.00 H new ATOM 0 HE ARG A 95 16.278 11.589 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.067 13.575 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.182 12.311 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.795 10.082 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.510 10.472 2.078 1.00 0.00 H new ATOM 1455 N VAL A 96 14.111 17.940 1.216 1.00 0.00 N ATOM 1456 CA VAL A 96 14.844 19.218 1.339 1.00 0.00 C ATOM 1457 C VAL A 96 13.993 20.346 1.941 1.00 0.00 C ATOM 1458 O VAL A 96 14.511 21.127 2.743 1.00 0.00 O ATOM 1459 CB VAL A 96 15.452 19.642 -0.016 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.304 20.911 0.115 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.364 18.537 -0.572 1.00 0.00 C ATOM 0 H VAL A 96 13.626 17.831 0.326 1.00 0.00 H new ATOM 0 HA VAL A 96 15.657 19.039 2.043 1.00 0.00 H new ATOM 0 HB VAL A 96 14.611 19.827 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.714 21.176 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.684 21.729 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.120 20.731 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.782 18.856 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.173 18.345 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.784 17.625 -0.716 1.00 0.00 H new ATOM 1471 N SER A 97 12.698 20.414 1.608 1.00 0.00 N ATOM 1472 CA SER A 97 11.824 21.562 1.916 1.00 0.00 C ATOM 1473 C SER A 97 10.482 21.214 2.581 1.00 0.00 C ATOM 1474 O SER A 97 9.681 22.115 2.827 1.00 0.00 O ATOM 1475 CB SER A 97 11.560 22.386 0.642 1.00 0.00 C ATOM 1476 OG SER A 97 12.780 22.731 -0.009 1.00 0.00 O ATOM 0 H SER A 97 12.217 19.665 1.110 1.00 0.00 H new ATOM 0 HA SER A 97 12.379 22.138 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.929 21.815 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.012 23.293 0.899 1.00 0.00 H new ATOM 0 HG SER A 97 12.584 23.252 -0.816 1.00 0.00 H new