USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 64:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.0578 X(o=0.058,f=-0.23) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.152 K(o=0.15,f=-3.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.18 K(o=1.2,f=-0.017) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -115:sc= 0.766 USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.827 7.591 -7.704 1.00 0.00 N ATOM 171 CA GLU A 13 25.008 7.527 -6.838 1.00 0.00 C ATOM 172 C GLU A 13 26.053 8.578 -7.259 1.00 0.00 C ATOM 173 O GLU A 13 26.427 9.423 -6.449 1.00 0.00 O ATOM 174 CB GLU A 13 25.519 6.073 -6.829 1.00 0.00 C ATOM 175 CG GLU A 13 26.679 5.815 -5.859 1.00 0.00 C ATOM 176 CD GLU A 13 26.193 5.723 -4.399 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.007 6.775 -3.743 1.00 0.00 O ATOM 178 OE2 GLU A 13 25.991 4.590 -3.896 1.00 0.00 O ATOM 0 HA GLU A 13 24.763 7.788 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.692 5.412 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.838 5.807 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.183 4.889 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.413 6.616 -5.948 1.00 0.00 H new ATOM 185 N ARG A 14 26.450 8.612 -8.542 1.00 0.00 N ATOM 186 CA ARG A 14 27.394 9.632 -9.044 1.00 0.00 C ATOM 187 C ARG A 14 26.871 11.056 -8.827 1.00 0.00 C ATOM 188 O ARG A 14 27.655 11.910 -8.427 1.00 0.00 O ATOM 189 CB ARG A 14 27.850 9.383 -10.493 1.00 0.00 C ATOM 190 CG ARG A 14 26.744 9.390 -11.564 1.00 0.00 C ATOM 191 CD ARG A 14 27.067 10.270 -12.772 1.00 0.00 C ATOM 192 NE ARG A 14 26.618 11.657 -12.556 1.00 0.00 N ATOM 193 CZ ARG A 14 25.531 12.236 -13.031 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.623 11.629 -13.738 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.292 13.469 -12.757 1.00 0.00 N ATOM 0 H ARG A 14 26.135 7.949 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 14 28.295 9.530 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.586 10.143 -10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.358 8.420 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.573 8.369 -11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.814 9.735 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 14 28.141 10.257 -12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.585 9.863 -13.661 1.00 0.00 H new ATOM 0 HE ARG A 14 27.218 12.238 -11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.726 10.639 -13.959 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.808 12.144 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.941 13.997 -12.174 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.453 13.919 -13.123 1.00 0.00 H new ATOM 209 N VAL A 15 25.552 11.263 -8.958 1.00 0.00 N ATOM 210 CA VAL A 15 24.831 12.508 -8.615 1.00 0.00 C ATOM 211 C VAL A 15 25.017 12.937 -7.155 1.00 0.00 C ATOM 212 O VAL A 15 24.988 14.132 -6.858 1.00 0.00 O ATOM 213 CB VAL A 15 23.330 12.365 -8.967 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.374 13.250 -8.171 1.00 0.00 C ATOM 215 CG2 VAL A 15 23.094 12.661 -10.444 1.00 0.00 C ATOM 0 H VAL A 15 24.929 10.541 -9.320 1.00 0.00 H new ATOM 0 HA VAL A 15 25.270 13.305 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 15 23.105 11.331 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.351 13.068 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.461 13.017 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.626 14.298 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.033 12.555 -10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.413 13.679 -10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.667 11.960 -11.052 1.00 0.00 H new ATOM 225 N ASP A 16 25.247 12.004 -6.235 1.00 0.00 N ATOM 226 CA ASP A 16 25.536 12.349 -4.841 1.00 0.00 C ATOM 227 C ASP A 16 26.983 12.848 -4.650 1.00 0.00 C ATOM 228 O ASP A 16 27.220 13.809 -3.920 1.00 0.00 O ATOM 229 CB ASP A 16 25.215 11.152 -3.942 1.00 0.00 C ATOM 230 CG ASP A 16 24.998 11.608 -2.495 1.00 0.00 C ATOM 231 OD1 ASP A 16 23.995 12.321 -2.254 1.00 0.00 O ATOM 232 OD2 ASP A 16 25.804 11.228 -1.609 1.00 0.00 O ATOM 0 H ASP A 16 25.239 11.002 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 16 24.897 13.183 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.322 10.645 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.031 10.430 -3.983 1.00 0.00 H new ATOM 237 N LEU A 17 27.954 12.250 -5.350 1.00 0.00 N ATOM 238 CA LEU A 17 29.383 12.548 -5.162 1.00 0.00 C ATOM 239 C LEU A 17 29.736 13.943 -5.689 1.00 0.00 C ATOM 240 O LEU A 17 30.503 14.678 -5.073 1.00 0.00 O ATOM 241 CB LEU A 17 30.243 11.463 -5.825 1.00 0.00 C ATOM 242 CG LEU A 17 30.435 10.223 -4.928 1.00 0.00 C ATOM 243 CD1 LEU A 17 29.288 9.221 -5.022 1.00 0.00 C ATOM 244 CD2 LEU A 17 31.725 9.522 -5.326 1.00 0.00 C ATOM 0 H LEU A 17 27.773 11.545 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 17 29.596 12.547 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.778 11.159 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.219 11.881 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 17 30.467 10.580 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.490 8.375 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.358 9.702 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.196 8.869 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.870 8.643 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.665 9.215 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.565 10.204 -5.196 1.00 0.00 H new ATOM 256 N GLU A 18 29.103 14.329 -6.791 1.00 0.00 N ATOM 257 CA GLU A 18 29.154 15.696 -7.323 1.00 0.00 C ATOM 258 C GLU A 18 28.453 16.716 -6.403 1.00 0.00 C ATOM 259 O GLU A 18 28.937 17.835 -6.264 1.00 0.00 O ATOM 260 CB GLU A 18 28.641 15.715 -8.766 1.00 0.00 C ATOM 261 CG GLU A 18 27.243 15.117 -8.911 1.00 0.00 C ATOM 262 CD GLU A 18 26.969 14.768 -10.386 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.478 13.748 -10.907 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.200 15.490 -11.052 1.00 0.00 O ATOM 0 H GLU A 18 28.531 13.697 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 18 30.194 16.021 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.630 16.743 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.334 15.162 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.156 14.222 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.497 15.825 -8.552 1.00 0.00 H new ATOM 271 N ALA A 19 27.395 16.334 -5.674 1.00 0.00 N ATOM 272 CA ALA A 19 26.789 17.188 -4.644 1.00 0.00 C ATOM 273 C ALA A 19 27.732 17.408 -3.443 1.00 0.00 C ATOM 274 O ALA A 19 27.881 18.535 -2.971 1.00 0.00 O ATOM 275 CB ALA A 19 25.439 16.585 -4.227 1.00 0.00 C ATOM 0 H ALA A 19 26.937 15.429 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 19 26.616 18.180 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 19 24.981 17.212 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.781 16.531 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.596 15.583 -3.828 1.00 0.00 H new ATOM 281 N VAL A 20 28.445 16.363 -3.002 1.00 0.00 N ATOM 282 CA VAL A 20 29.513 16.466 -1.986 1.00 0.00 C ATOM 283 C VAL A 20 30.672 17.333 -2.495 1.00 0.00 C ATOM 284 O VAL A 20 31.122 18.230 -1.782 1.00 0.00 O ATOM 285 CB VAL A 20 29.984 15.065 -1.541 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.178 15.123 -0.580 1.00 0.00 C ATOM 287 CG2 VAL A 20 28.857 14.319 -0.813 1.00 0.00 C ATOM 0 H VAL A 20 28.299 15.412 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 20 29.106 16.963 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 20 30.277 14.548 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.468 14.111 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.016 15.618 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 20 30.899 15.682 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.210 13.334 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.556 14.885 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.003 14.207 -1.482 1.00 0.00 H new ATOM 297 N ARG A 21 31.096 17.153 -3.753 1.00 0.00 N ATOM 298 CA ARG A 21 32.108 18.013 -4.394 1.00 0.00 C ATOM 299 C ARG A 21 31.680 19.483 -4.389 1.00 0.00 C ATOM 300 O ARG A 21 32.489 20.342 -4.061 1.00 0.00 O ATOM 301 CB ARG A 21 32.399 17.476 -5.808 1.00 0.00 C ATOM 302 CG ARG A 21 33.485 18.238 -6.586 1.00 0.00 C ATOM 303 CD ARG A 21 34.836 18.368 -5.866 1.00 0.00 C ATOM 304 NE ARG A 21 35.413 17.050 -5.522 1.00 0.00 N ATOM 305 CZ ARG A 21 36.504 16.825 -4.811 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.230 17.795 -4.332 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.891 15.605 -4.566 1.00 0.00 N ATOM 0 H ARG A 21 30.749 16.408 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 21 33.035 17.979 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.697 16.431 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.475 17.501 -6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.647 17.735 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.114 19.238 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.534 18.914 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.707 18.955 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 21 34.917 16.229 -5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.962 18.764 -4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.066 17.585 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.351 14.817 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.734 15.438 -4.017 1.00 0.00 H new ATOM 321 N LEU A 22 30.407 19.778 -4.654 1.00 0.00 N ATOM 322 CA LEU A 22 29.846 21.131 -4.567 1.00 0.00 C ATOM 323 C LEU A 22 29.785 21.667 -3.146 1.00 0.00 C ATOM 324 O LEU A 22 30.061 22.845 -2.979 1.00 0.00 O ATOM 325 CB LEU A 22 28.486 21.264 -5.264 1.00 0.00 C ATOM 326 CG LEU A 22 28.648 21.801 -6.696 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.098 20.729 -7.679 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.328 22.391 -7.155 1.00 0.00 C ATOM 0 H LEU A 22 29.725 19.075 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 22 30.552 21.757 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.991 20.293 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.844 21.934 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 22 29.428 22.563 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.196 21.165 -8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.060 20.327 -7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.360 19.927 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.434 22.774 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.559 21.619 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.041 23.204 -6.488 1.00 0.00 H new ATOM 340 N ALA A 23 29.534 20.858 -2.118 1.00 0.00 N ATOM 341 CA ALA A 23 29.695 21.331 -0.742 1.00 0.00 C ATOM 342 C ALA A 23 31.130 21.854 -0.493 1.00 0.00 C ATOM 343 O ALA A 23 31.301 22.874 0.173 1.00 0.00 O ATOM 344 CB ALA A 23 29.264 20.212 0.204 1.00 0.00 C ATOM 0 H ALA A 23 29.224 19.890 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 23 29.054 22.191 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.376 20.544 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.221 19.958 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 23 29.887 19.333 0.036 1.00 0.00 H new ATOM 350 N SER A 24 32.143 21.254 -1.132 1.00 0.00 N ATOM 351 CA SER A 24 33.525 21.764 -1.142 1.00 0.00 C ATOM 352 C SER A 24 33.726 23.000 -2.034 1.00 0.00 C ATOM 353 O SER A 24 34.463 23.907 -1.632 1.00 0.00 O ATOM 354 CB SER A 24 34.529 20.667 -1.526 1.00 0.00 C ATOM 355 OG SER A 24 34.370 19.529 -0.693 1.00 0.00 O ATOM 0 H SER A 24 32.027 20.391 -1.663 1.00 0.00 H new ATOM 0 HA SER A 24 33.716 22.083 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.385 20.384 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.546 21.050 -1.437 1.00 0.00 H new ATOM 0 HG SER A 24 35.017 18.840 -0.953 1.00 0.00 H new ATOM 361 N ILE A 25 33.076 23.111 -3.211 1.00 0.00 N ATOM 362 CA ILE A 25 33.222 24.338 -4.022 1.00 0.00 C ATOM 363 C ILE A 25 32.523 25.525 -3.331 1.00 0.00 C ATOM 364 O ILE A 25 33.031 26.644 -3.331 1.00 0.00 O ATOM 365 CB ILE A 25 32.713 24.185 -5.467 1.00 0.00 C ATOM 366 CG1 ILE A 25 32.998 22.839 -6.157 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.329 25.298 -6.330 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.437 22.328 -6.192 1.00 0.00 C ATOM 0 H ILE A 25 32.467 22.396 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 25 34.292 24.531 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 25 31.628 24.245 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.388 22.080 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.648 22.914 -7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.976 25.200 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.033 26.270 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.416 25.214 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.471 21.370 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.066 23.048 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.803 22.201 -5.173 1.00 0.00 H new ATOM 380 N VAL A 26 31.384 25.274 -2.680 1.00 0.00 N ATOM 381 CA VAL A 26 30.621 26.264 -1.908 1.00 0.00 C ATOM 382 C VAL A 26 31.413 26.667 -0.666 1.00 0.00 C ATOM 383 O VAL A 26 31.607 27.859 -0.479 1.00 0.00 O ATOM 384 CB VAL A 26 29.233 25.717 -1.536 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.430 26.702 -0.677 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.383 25.421 -2.786 1.00 0.00 C ATOM 0 H VAL A 26 30.953 24.350 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 26 30.464 27.151 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 26 29.429 24.803 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.458 26.270 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 26 28.972 26.904 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.289 27.633 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.410 25.036 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.247 26.338 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.890 24.679 -3.403 1.00 0.00 H new ATOM 396 N ASP A 27 31.979 25.739 0.111 1.00 0.00 N ATOM 397 CA ASP A 27 32.917 26.075 1.196 1.00 0.00 C ATOM 398 C ASP A 27 34.073 26.964 0.703 1.00 0.00 C ATOM 399 O ASP A 27 34.388 27.982 1.326 1.00 0.00 O ATOM 400 CB ASP A 27 33.481 24.794 1.818 1.00 0.00 C ATOM 401 CG ASP A 27 34.625 25.108 2.796 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.377 25.775 3.828 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.772 24.675 2.526 1.00 0.00 O ATOM 0 H ASP A 27 31.804 24.739 0.010 1.00 0.00 H new ATOM 0 HA ASP A 27 32.361 26.637 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.687 24.261 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.843 24.133 1.031 1.00 0.00 H new ATOM 408 N SER A 28 34.646 26.639 -0.462 1.00 0.00 N ATOM 409 CA SER A 28 35.714 27.445 -1.078 1.00 0.00 C ATOM 410 C SER A 28 35.252 28.884 -1.375 1.00 0.00 C ATOM 411 O SER A 28 36.031 29.826 -1.235 1.00 0.00 O ATOM 412 CB SER A 28 36.247 26.778 -2.355 1.00 0.00 C ATOM 413 OG SER A 28 36.687 25.451 -2.105 1.00 0.00 O ATOM 0 H SER A 28 34.386 25.815 -1.004 1.00 0.00 H new ATOM 0 HA SER A 28 36.526 27.501 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.465 26.766 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.072 27.366 -2.757 1.00 0.00 H new ATOM 0 HG SER A 28 35.926 24.902 -1.822 1.00 0.00 H new ATOM 419 N ARG A 29 33.964 29.073 -1.699 1.00 0.00 N ATOM 420 CA ARG A 29 33.302 30.382 -1.860 1.00 0.00 C ATOM 421 C ARG A 29 32.917 31.046 -0.532 1.00 0.00 C ATOM 422 O ARG A 29 33.058 32.262 -0.413 1.00 0.00 O ATOM 423 CB ARG A 29 32.087 30.184 -2.783 1.00 0.00 C ATOM 424 CG ARG A 29 31.370 31.483 -3.154 1.00 0.00 C ATOM 425 CD ARG A 29 32.185 32.406 -4.062 1.00 0.00 C ATOM 426 NE ARG A 29 31.322 33.478 -4.605 1.00 0.00 N ATOM 427 CZ ARG A 29 31.562 34.234 -5.662 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.693 34.178 -6.304 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.669 35.070 -6.096 1.00 0.00 N ATOM 0 H ARG A 29 33.329 28.292 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 29 34.010 31.079 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.415 29.688 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.378 29.516 -2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.431 31.239 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.117 32.020 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.011 32.843 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.622 31.832 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 29 30.447 33.652 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.424 33.538 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.848 34.775 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.770 35.149 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.866 35.648 -6.913 1.00 0.00 H new ATOM 443 N LEU A 30 32.488 30.304 0.489 1.00 0.00 N ATOM 444 CA LEU A 30 32.195 30.881 1.810 1.00 0.00 C ATOM 445 C LEU A 30 33.475 31.412 2.490 1.00 0.00 C ATOM 446 O LEU A 30 33.442 32.462 3.130 1.00 0.00 O ATOM 447 CB LEU A 30 31.442 29.880 2.702 1.00 0.00 C ATOM 448 CG LEU A 30 30.090 29.368 2.166 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.408 28.500 3.229 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.126 30.491 1.748 1.00 0.00 C ATOM 0 H LEU A 30 32.334 29.297 0.430 1.00 0.00 H new ATOM 0 HA LEU A 30 31.536 31.736 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.090 29.020 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.270 30.348 3.671 1.00 0.00 H new ATOM 0 HG LEU A 30 30.317 28.791 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.453 28.140 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.047 27.650 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.239 29.092 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.197 30.055 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.914 31.127 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.583 31.088 0.958 1.00 0.00 H new ATOM 462 N ILE A 31 34.615 30.750 2.271 1.00 0.00 N ATOM 463 CA ILE A 31 35.951 31.241 2.658 1.00 0.00 C ATOM 464 C ILE A 31 36.393 32.395 1.730 1.00 0.00 C ATOM 465 O ILE A 31 37.010 33.361 2.181 1.00 0.00 O ATOM 466 CB ILE A 31 36.954 30.058 2.645 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.587 29.035 3.750 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.407 30.534 2.836 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.322 27.695 3.623 1.00 0.00 C ATOM 0 H ILE A 31 34.641 29.840 1.811 1.00 0.00 H new ATOM 0 HA ILE A 31 35.920 31.646 3.669 1.00 0.00 H new ATOM 0 HB ILE A 31 36.885 29.582 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.811 29.470 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.513 28.853 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.077 29.674 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.675 31.217 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.499 31.048 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.013 27.032 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.079 27.236 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.397 27.863 3.683 1.00 0.00 H new ATOM 481 N GLY A 32 36.051 32.314 0.437 1.00 0.00 N ATOM 482 CA GLY A 32 36.491 33.225 -0.622 1.00 0.00 C ATOM 483 C GLY A 32 35.866 34.613 -0.559 1.00 0.00 C ATOM 484 O GLY A 32 36.533 35.618 -0.816 1.00 0.00 O ATOM 0 H GLY A 32 35.434 31.580 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.575 33.326 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.258 32.778 -1.589 1.00 0.00 H new ATOM 488 N THR A 33 34.579 34.662 -0.212 1.00 0.00 N ATOM 489 CA THR A 33 33.809 35.910 -0.056 1.00 0.00 C ATOM 490 C THR A 33 32.633 35.832 0.942 1.00 0.00 C ATOM 491 O THR A 33 32.280 36.850 1.543 1.00 0.00 O ATOM 492 CB THR A 33 33.324 36.374 -1.443 1.00 0.00 C ATOM 493 OG1 THR A 33 32.788 37.677 -1.396 1.00 0.00 O ATOM 494 CG2 THR A 33 32.262 35.444 -2.030 1.00 0.00 C ATOM 0 H THR A 33 34.027 33.824 -0.027 1.00 0.00 H new ATOM 0 HA THR A 33 34.488 36.640 0.385 1.00 0.00 H new ATOM 0 HB THR A 33 34.207 36.357 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.491 37.941 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.954 35.815 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.675 34.441 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.399 35.412 -1.365 1.00 0.00 H new ATOM 502 N GLY A 34 32.041 34.647 1.177 1.00 0.00 N ATOM 503 CA GLY A 34 30.950 34.452 2.160 1.00 0.00 C ATOM 504 C GLY A 34 29.529 34.361 1.585 1.00 0.00 C ATOM 505 O GLY A 34 28.558 34.204 2.330 1.00 0.00 O ATOM 0 H GLY A 34 32.305 33.791 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.152 33.539 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.979 35.276 2.873 1.00 0.00 H new ATOM 509 N SER A 35 29.413 34.396 0.259 1.00 0.00 N ATOM 510 CA SER A 35 28.162 34.334 -0.503 1.00 0.00 C ATOM 511 C SER A 35 28.398 33.536 -1.778 1.00 0.00 C ATOM 512 O SER A 35 29.395 33.750 -2.467 1.00 0.00 O ATOM 513 CB SER A 35 27.656 35.738 -0.866 1.00 0.00 C ATOM 514 OG SER A 35 27.303 36.467 0.300 1.00 0.00 O ATOM 0 H SER A 35 30.230 34.472 -0.347 1.00 0.00 H new ATOM 0 HA SER A 35 27.405 33.852 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.428 36.276 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.792 35.658 -1.525 1.00 0.00 H new ATOM 0 HG SER A 35 26.985 37.358 0.045 1.00 0.00 H new ATOM 520 N VAL A 36 27.479 32.633 -2.105 1.00 0.00 N ATOM 521 CA VAL A 36 27.474 31.897 -3.384 1.00 0.00 C ATOM 522 C VAL A 36 26.350 32.428 -4.279 1.00 0.00 C ATOM 523 O VAL A 36 25.287 32.819 -3.791 1.00 0.00 O ATOM 524 CB VAL A 36 27.383 30.383 -3.129 1.00 0.00 C ATOM 525 CG1 VAL A 36 25.967 29.911 -2.805 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.884 29.584 -4.329 1.00 0.00 C ATOM 0 H VAL A 36 26.705 32.382 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 36 28.411 32.062 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 36 28.017 30.205 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.972 28.834 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.611 30.417 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.306 30.144 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.806 28.518 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.279 29.824 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.925 29.839 -4.527 1.00 0.00 H new ATOM 536 N ASP A 37 26.577 32.453 -5.592 1.00 0.00 N ATOM 537 CA ASP A 37 25.658 33.013 -6.586 1.00 0.00 C ATOM 538 C ASP A 37 25.501 32.047 -7.764 1.00 0.00 C ATOM 539 O ASP A 37 26.395 31.240 -8.032 1.00 0.00 O ATOM 540 CB ASP A 37 26.174 34.380 -7.076 1.00 0.00 C ATOM 541 CG ASP A 37 26.727 35.280 -5.953 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.941 35.188 -5.637 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.952 36.101 -5.404 1.00 0.00 O ATOM 0 H ASP A 37 27.429 32.074 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 37 24.682 33.156 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.957 34.217 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.362 34.904 -7.581 1.00 0.00 H new ATOM 548 N GLU A 38 24.395 32.145 -8.507 1.00 0.00 N ATOM 549 CA GLU A 38 24.125 31.238 -9.633 1.00 0.00 C ATOM 550 C GLU A 38 25.261 31.254 -10.667 1.00 0.00 C ATOM 551 O GLU A 38 25.646 30.203 -11.180 1.00 0.00 O ATOM 552 CB GLU A 38 22.798 31.617 -10.311 1.00 0.00 C ATOM 553 CG GLU A 38 22.148 30.402 -10.984 1.00 0.00 C ATOM 554 CD GLU A 38 21.253 30.817 -12.161 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.196 31.456 -11.945 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.635 30.528 -13.323 1.00 0.00 O ATOM 0 H GLU A 38 23.669 32.844 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 38 24.056 30.228 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.115 32.034 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.976 32.395 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.924 29.724 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.555 29.854 -10.252 1.00 0.00 H new ATOM 563 N ASP A 39 25.855 32.427 -10.917 1.00 0.00 N ATOM 564 CA ASP A 39 26.960 32.600 -11.864 1.00 0.00 C ATOM 565 C ASP A 39 28.281 31.969 -11.391 1.00 0.00 C ATOM 566 O ASP A 39 29.127 31.633 -12.220 1.00 0.00 O ATOM 567 CB ASP A 39 27.137 34.096 -12.149 1.00 0.00 C ATOM 568 CG ASP A 39 28.105 34.346 -13.319 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.803 33.896 -14.452 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.139 35.028 -13.114 1.00 0.00 O ATOM 0 H ASP A 39 25.576 33.295 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 39 26.698 32.067 -12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.168 34.539 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.512 34.594 -11.255 1.00 0.00 H new ATOM 575 N PHE A 40 28.452 31.750 -10.078 1.00 0.00 N ATOM 576 CA PHE A 40 29.577 30.974 -9.564 1.00 0.00 C ATOM 577 C PHE A 40 29.357 29.465 -9.745 1.00 0.00 C ATOM 578 O PHE A 40 30.304 28.759 -10.070 1.00 0.00 O ATOM 579 CB PHE A 40 29.832 31.352 -8.098 1.00 0.00 C ATOM 580 CG PHE A 40 30.984 30.588 -7.475 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.314 30.977 -7.721 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.722 29.454 -6.685 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.376 30.241 -7.165 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.781 28.730 -6.116 1.00 0.00 C ATOM 585 CZ PHE A 40 33.110 29.123 -6.357 1.00 0.00 C ATOM 0 H PHE A 40 27.822 32.102 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 40 30.468 31.218 -10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 40 30.038 32.421 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.927 31.167 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.519 31.840 -8.337 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.703 29.140 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.397 30.536 -7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.576 27.872 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.926 28.565 -5.921 1.00 0.00 H new ATOM 595 N LEU A 41 28.129 28.951 -9.572 1.00 0.00 N ATOM 596 CA LEU A 41 27.854 27.500 -9.589 1.00 0.00 C ATOM 597 C LEU A 41 27.571 26.918 -10.980 1.00 0.00 C ATOM 598 O LEU A 41 27.882 25.749 -11.213 1.00 0.00 O ATOM 599 CB LEU A 41 26.716 27.194 -8.594 1.00 0.00 C ATOM 600 CG LEU A 41 27.106 27.319 -7.111 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.888 27.000 -6.244 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.239 26.372 -6.704 1.00 0.00 C ATOM 0 H LEU A 41 27.300 29.524 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 41 28.769 26.997 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.885 27.870 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.355 26.182 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 41 27.455 28.341 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 41 26.158 27.087 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 41 25.085 27.701 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.551 25.984 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.466 26.510 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.931 25.341 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 41 29.127 26.591 -7.297 1.00 0.00 H new ATOM 614 N ARG A 42 27.057 27.710 -11.930 1.00 0.00 N ATOM 615 CA ARG A 42 26.835 27.260 -13.326 1.00 0.00 C ATOM 616 C ARG A 42 28.095 26.725 -14.026 1.00 0.00 C ATOM 617 O ARG A 42 27.994 25.839 -14.870 1.00 0.00 O ATOM 618 CB ARG A 42 26.128 28.351 -14.139 1.00 0.00 C ATOM 619 CG ARG A 42 26.950 29.636 -14.252 1.00 0.00 C ATOM 620 CD ARG A 42 26.257 30.689 -15.116 1.00 0.00 C ATOM 621 NE ARG A 42 24.949 31.139 -14.582 1.00 0.00 N ATOM 622 CZ ARG A 42 24.432 32.353 -14.667 1.00 0.00 C ATOM 623 NH1 ARG A 42 25.128 33.399 -15.013 1.00 0.00 N ATOM 624 NH2 ARG A 42 23.177 32.545 -14.393 1.00 0.00 N ATOM 0 H ARG A 42 26.782 28.678 -11.762 1.00 0.00 H new ATOM 0 HA ARG A 42 26.175 26.394 -13.268 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.916 27.972 -15.139 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.169 28.579 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.124 30.043 -13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.927 29.405 -14.677 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.914 31.553 -15.216 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.110 30.284 -16.117 1.00 0.00 H new ATOM 0 HE ARG A 42 24.389 30.438 -14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.119 33.302 -15.233 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.682 34.315 -15.064 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.590 31.759 -14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.778 33.481 -14.459 1.00 0.00 H new ATOM 638 N GLU A 43 29.280 27.196 -13.629 1.00 0.00 N ATOM 639 CA GLU A 43 30.581 26.709 -14.119 1.00 0.00 C ATOM 640 C GLU A 43 31.178 25.551 -13.284 1.00 0.00 C ATOM 641 O GLU A 43 32.304 25.129 -13.554 1.00 0.00 O ATOM 642 CB GLU A 43 31.561 27.893 -14.270 1.00 0.00 C ATOM 643 CG GLU A 43 31.747 28.711 -12.988 1.00 0.00 C ATOM 644 CD GLU A 43 32.990 29.614 -13.050 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.049 30.535 -13.903 1.00 0.00 O ATOM 646 OE2 GLU A 43 33.920 29.399 -12.235 1.00 0.00 O ATOM 0 H GLU A 43 29.368 27.944 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 43 30.407 26.267 -15.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.531 27.511 -14.590 1.00 0.00 H new ATOM 0 HB3 GLU A 43 31.201 28.551 -15.061 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.862 29.325 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 43 31.833 28.035 -12.137 1.00 0.00 H new ATOM 653 N GLN A 44 30.470 25.024 -12.270 1.00 0.00 N ATOM 654 CA GLN A 44 31.014 24.067 -11.284 1.00 0.00 C ATOM 655 C GLN A 44 30.241 22.745 -11.208 1.00 0.00 C ATOM 656 O GLN A 44 30.725 21.812 -10.572 1.00 0.00 O ATOM 657 CB GLN A 44 31.029 24.718 -9.884 1.00 0.00 C ATOM 658 CG GLN A 44 31.864 26.003 -9.827 1.00 0.00 C ATOM 659 CD GLN A 44 33.342 25.793 -10.136 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.929 24.756 -9.846 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.996 26.758 -10.740 1.00 0.00 N ATOM 0 H GLN A 44 29.489 25.253 -12.108 1.00 0.00 H new ATOM 0 HA GLN A 44 32.022 23.825 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.006 24.943 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.423 24.003 -9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.454 26.723 -10.535 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.769 26.443 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.516 27.624 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.984 26.642 -10.964 1.00 0.00 H new ATOM 670 N ILE A 45 29.066 22.657 -11.844 1.00 0.00 N ATOM 671 CA ILE A 45 28.153 21.499 -11.791 1.00 0.00 C ATOM 672 C ILE A 45 28.813 20.155 -12.101 1.00 0.00 C ATOM 673 O ILE A 45 28.562 19.161 -11.421 1.00 0.00 O ATOM 674 CB ILE A 45 26.975 21.669 -12.778 1.00 0.00 C ATOM 675 CG1 ILE A 45 27.180 22.596 -13.995 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.786 22.152 -11.969 1.00 0.00 C ATOM 677 CD1 ILE A 45 26.307 22.178 -15.184 1.00 0.00 C ATOM 0 H ILE A 45 28.709 23.412 -12.430 1.00 0.00 H new ATOM 0 HA ILE A 45 27.812 21.480 -10.756 1.00 0.00 H new ATOM 0 HB ILE A 45 26.841 20.691 -13.241 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.944 23.622 -13.714 1.00 0.00 H new ATOM 0 HG13 ILE A 45 28.229 22.580 -14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.928 22.286 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.544 21.415 -11.203 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.031 23.102 -11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 45 26.481 22.856 -16.020 1.00 0.00 H new ATOM 0 HD12 ILE A 45 26.562 21.161 -15.483 1.00 0.00 H new ATOM 0 HD13 ILE A 45 25.256 22.219 -14.896 1.00 0.00 H new ATOM 735 N ARG A 49 22.444 18.662 -13.752 1.00 0.00 N ATOM 736 CA ARG A 49 21.582 19.547 -14.559 1.00 0.00 C ATOM 737 C ARG A 49 21.305 20.857 -13.822 1.00 0.00 C ATOM 738 O ARG A 49 21.497 21.934 -14.388 1.00 0.00 O ATOM 739 CB ARG A 49 20.295 18.817 -14.996 1.00 0.00 C ATOM 740 CG ARG A 49 19.720 19.316 -16.337 1.00 0.00 C ATOM 741 CD ARG A 49 20.322 18.637 -17.582 1.00 0.00 C ATOM 742 NE ARG A 49 21.729 19.018 -17.835 1.00 0.00 N ATOM 743 CZ ARG A 49 22.820 18.383 -17.445 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.798 17.218 -16.868 1.00 0.00 N ATOM 745 NH2 ARG A 49 23.989 18.936 -17.567 1.00 0.00 N ATOM 0 HA ARG A 49 22.111 19.812 -15.474 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.503 17.750 -15.075 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.539 18.938 -14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.642 19.157 -16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.883 20.391 -16.410 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.262 17.555 -17.462 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.721 18.895 -18.454 1.00 0.00 H new ATOM 0 HE ARG A 49 21.874 19.872 -18.374 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.908 16.750 -16.697 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.671 16.772 -16.587 1.00 0.00 H new ATOM 0 HH21 ARG A 49 24.072 19.870 -17.967 1.00 0.00 H new ATOM 0 HH22 ARG A 49 24.824 18.436 -17.262 1.00 0.00 H new ATOM 759 N TYR A 50 20.928 20.759 -12.545 1.00 0.00 N ATOM 760 CA TYR A 50 20.583 21.874 -11.671 1.00 0.00 C ATOM 761 C TYR A 50 21.326 21.723 -10.328 1.00 0.00 C ATOM 762 O TYR A 50 21.119 20.734 -9.622 1.00 0.00 O ATOM 763 CB TYR A 50 19.044 21.869 -11.465 1.00 0.00 C ATOM 764 CG TYR A 50 18.195 21.468 -12.669 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.372 22.104 -13.912 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.224 20.453 -12.547 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.593 21.734 -15.023 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.441 20.075 -13.656 1.00 0.00 C ATOM 769 CZ TYR A 50 16.620 20.722 -14.898 1.00 0.00 C ATOM 770 OH TYR A 50 15.869 20.373 -15.977 1.00 0.00 O ATOM 0 H TYR A 50 20.853 19.857 -12.074 1.00 0.00 H new ATOM 0 HA TYR A 50 20.882 22.824 -12.114 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.812 21.191 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.739 22.867 -11.150 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.113 22.883 -14.014 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.079 19.961 -11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.741 22.226 -15.973 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.705 19.291 -13.556 1.00 0.00 H new ATOM 0 HH TYR A 50 15.246 19.660 -15.725 1.00 0.00 H new ATOM 780 N ALA A 51 22.219 22.654 -9.967 1.00 0.00 N ATOM 781 CA ALA A 51 22.784 22.704 -8.604 1.00 0.00 C ATOM 782 C ALA A 51 21.872 23.586 -7.722 1.00 0.00 C ATOM 783 O ALA A 51 21.304 24.557 -8.221 1.00 0.00 O ATOM 784 CB ALA A 51 24.228 23.212 -8.657 1.00 0.00 C ATOM 0 H ALA A 51 22.567 23.381 -10.593 1.00 0.00 H new ATOM 0 HA ALA A 51 22.819 21.709 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.639 23.246 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.828 22.540 -9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.246 24.212 -9.090 1.00 0.00 H new ATOM 790 N VAL A 52 21.697 23.282 -6.432 1.00 0.00 N ATOM 791 CA VAL A 52 20.689 23.927 -5.563 1.00 0.00 C ATOM 792 C VAL A 52 21.260 24.191 -4.164 1.00 0.00 C ATOM 793 O VAL A 52 21.911 23.328 -3.571 1.00 0.00 O ATOM 794 CB VAL A 52 19.408 23.061 -5.515 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.431 23.478 -4.407 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.659 23.101 -6.854 1.00 0.00 C ATOM 0 H VAL A 52 22.253 22.575 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 52 20.423 24.898 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 52 19.757 22.051 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.555 22.829 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.921 23.390 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.121 24.511 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.764 22.483 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.375 24.128 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.306 22.720 -7.644 1.00 0.00 H new ATOM 806 N ILE A 53 21.012 25.398 -3.647 1.00 0.00 N ATOM 807 CA ILE A 53 21.619 25.933 -2.415 1.00 0.00 C ATOM 808 C ILE A 53 20.629 26.203 -1.282 1.00 0.00 C ATOM 809 O ILE A 53 19.576 26.800 -1.486 1.00 0.00 O ATOM 810 CB ILE A 53 22.451 27.193 -2.766 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.879 26.779 -3.162 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.496 28.301 -1.685 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.743 26.331 -1.975 1.00 0.00 C ATOM 0 H ILE A 53 20.364 26.053 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 53 22.269 25.154 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 53 21.924 27.652 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.824 25.967 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.366 27.618 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.106 29.132 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.485 28.654 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.929 27.899 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.735 26.054 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.829 27.148 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.279 25.472 -1.491 1.00 0.00 H new ATOM 825 N ARG A 54 21.052 25.858 -0.059 1.00 0.00 N ATOM 826 CA ARG A 54 20.395 26.200 1.215 1.00 0.00 C ATOM 827 C ARG A 54 21.454 26.442 2.290 1.00 0.00 C ATOM 828 O ARG A 54 21.701 25.635 3.177 1.00 0.00 O ATOM 829 CB ARG A 54 19.400 25.089 1.554 1.00 0.00 C ATOM 830 CG ARG A 54 18.276 25.446 2.545 1.00 0.00 C ATOM 831 CD ARG A 54 18.698 25.792 3.981 1.00 0.00 C ATOM 832 NE ARG A 54 19.376 24.666 4.658 1.00 0.00 N ATOM 833 CZ ARG A 54 18.837 23.791 5.493 1.00 0.00 C ATOM 834 NH1 ARG A 54 17.572 23.812 5.806 1.00 0.00 N ATOM 835 NH2 ARG A 54 19.567 22.861 6.034 1.00 0.00 N ATOM 0 H ARG A 54 21.900 25.308 0.079 1.00 0.00 H new ATOM 0 HA ARG A 54 19.828 27.129 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 54 18.940 24.749 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.957 24.245 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.724 26.294 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.583 24.606 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.364 26.655 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.818 26.080 4.556 1.00 0.00 H new ATOM 0 HE ARG A 54 20.370 24.550 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.959 24.521 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.195 23.120 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.562 22.802 5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.145 22.190 6.676 1.00 0.00 H new ATOM 849 N ILE A 55 22.113 27.579 2.160 1.00 0.00 N ATOM 850 CA ILE A 55 23.019 28.134 3.185 1.00 0.00 C ATOM 851 C ILE A 55 22.154 28.895 4.213 1.00 0.00 C ATOM 852 O ILE A 55 21.469 29.840 3.816 1.00 0.00 O ATOM 853 CB ILE A 55 24.068 29.080 2.555 1.00 0.00 C ATOM 854 CG1 ILE A 55 25.013 28.370 1.563 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.931 29.748 3.646 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.513 29.323 0.483 1.00 0.00 C ATOM 0 H ILE A 55 22.041 28.164 1.328 1.00 0.00 H new ATOM 0 HA ILE A 55 23.569 27.326 3.668 1.00 0.00 H new ATOM 0 HB ILE A 55 23.493 29.825 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.863 27.954 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.491 27.534 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.661 30.409 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.291 30.327 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.451 28.980 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.176 28.787 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.664 29.719 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.057 30.145 0.947 1.00 0.00 H new ATOM 868 N PRO A 56 22.181 28.548 5.515 1.00 0.00 N ATOM 869 CA PRO A 56 21.471 29.315 6.538 1.00 0.00 C ATOM 870 C PRO A 56 21.924 30.785 6.582 1.00 0.00 C ATOM 871 O PRO A 56 23.119 31.088 6.584 1.00 0.00 O ATOM 872 CB PRO A 56 21.728 28.592 7.865 1.00 0.00 C ATOM 873 CG PRO A 56 22.039 27.159 7.431 1.00 0.00 C ATOM 874 CD PRO A 56 22.770 27.355 6.106 1.00 0.00 C ATOM 0 HA PRO A 56 20.404 29.361 6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.560 29.037 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.858 28.634 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.660 26.641 8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.131 26.568 7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.841 27.482 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.643 26.490 5.455 1.00 0.00 H new ATOM 882 N GLY A 57 20.957 31.703 6.615 1.00 0.00 N ATOM 883 CA GLY A 57 21.178 33.153 6.689 1.00 0.00 C ATOM 884 C GLY A 57 21.343 33.879 5.345 1.00 0.00 C ATOM 885 O GLY A 57 21.512 35.100 5.355 1.00 0.00 O ATOM 0 H GLY A 57 19.968 31.454 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.339 33.602 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.070 33.334 7.289 1.00 0.00 H new ATOM 889 N GLN A 58 21.277 33.183 4.198 1.00 0.00 N ATOM 890 CA GLN A 58 21.287 33.809 2.862 1.00 0.00 C ATOM 891 C GLN A 58 20.312 33.152 1.855 1.00 0.00 C ATOM 892 O GLN A 58 19.809 32.054 2.118 1.00 0.00 O ATOM 893 CB GLN A 58 22.739 33.899 2.354 1.00 0.00 C ATOM 894 CG GLN A 58 23.334 32.619 1.765 1.00 0.00 C ATOM 895 CD GLN A 58 24.785 32.837 1.319 1.00 0.00 C ATOM 896 OE1 GLN A 58 25.125 32.788 0.144 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.691 33.101 2.239 1.00 0.00 N ATOM 0 H GLN A 58 21.215 32.165 4.170 1.00 0.00 H new ATOM 0 HA GLN A 58 20.895 34.822 2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.787 34.679 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.371 34.220 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 58 23.295 31.821 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.734 32.294 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.422 33.145 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.661 33.261 1.968 1.00 0.00 H new ATOM 906 N PRO A 59 20.016 33.806 0.712 1.00 0.00 N ATOM 907 CA PRO A 59 19.003 33.350 -0.245 1.00 0.00 C ATOM 908 C PRO A 59 19.252 31.968 -0.869 1.00 0.00 C ATOM 909 O PRO A 59 20.372 31.624 -1.255 1.00 0.00 O ATOM 910 CB PRO A 59 18.945 34.425 -1.339 1.00 0.00 C ATOM 911 CG PRO A 59 19.433 35.684 -0.633 1.00 0.00 C ATOM 912 CD PRO A 59 20.474 35.141 0.342 1.00 0.00 C ATOM 0 HA PRO A 59 18.063 33.221 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.581 34.169 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.933 34.549 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.867 36.398 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.623 36.198 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.460 35.101 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.559 35.782 1.219 1.00 0.00 H new ATOM 920 N VAL A 60 18.171 31.201 -1.035 1.00 0.00 N ATOM 921 CA VAL A 60 18.149 29.946 -1.804 1.00 0.00 C ATOM 922 C VAL A 60 18.303 30.272 -3.292 1.00 0.00 C ATOM 923 O VAL A 60 17.446 30.929 -3.890 1.00 0.00 O ATOM 924 CB VAL A 60 16.834 29.177 -1.533 1.00 0.00 C ATOM 925 CG1 VAL A 60 16.557 28.022 -2.506 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.830 28.616 -0.104 1.00 0.00 C ATOM 0 H VAL A 60 17.265 31.437 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 60 18.976 29.306 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 60 16.043 29.913 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 60 15.616 27.540 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.492 28.410 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.366 27.294 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.899 28.077 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.672 27.936 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 60 16.916 29.436 0.609 1.00 0.00 H new ATOM 936 N VAL A 61 19.407 29.807 -3.882 1.00 0.00 N ATOM 937 CA VAL A 61 19.725 29.943 -5.307 1.00 0.00 C ATOM 938 C VAL A 61 19.702 28.571 -5.974 1.00 0.00 C ATOM 939 O VAL A 61 20.040 27.553 -5.367 1.00 0.00 O ATOM 940 CB VAL A 61 21.009 30.770 -5.526 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.278 30.133 -4.958 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.241 31.080 -7.006 1.00 0.00 C ATOM 0 H VAL A 61 20.130 29.308 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 61 18.955 30.528 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 61 20.826 31.689 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.131 30.782 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.167 29.999 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.441 29.164 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.155 31.664 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.336 30.148 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.397 31.650 -7.395 1.00 0.00 H new ATOM 952 N GLU A 62 19.240 28.530 -7.218 1.00 0.00 N ATOM 953 CA GLU A 62 18.947 27.303 -7.960 1.00 0.00 C ATOM 954 C GLU A 62 19.427 27.473 -9.414 1.00 0.00 C ATOM 955 O GLU A 62 18.895 28.290 -10.171 1.00 0.00 O ATOM 956 CB GLU A 62 17.437 26.995 -7.912 1.00 0.00 C ATOM 957 CG GLU A 62 16.895 26.813 -6.487 1.00 0.00 C ATOM 958 CD GLU A 62 15.408 26.423 -6.500 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.536 27.322 -6.586 1.00 0.00 O ATOM 960 OE2 GLU A 62 15.083 25.215 -6.408 1.00 0.00 O ATOM 0 H GLU A 62 19.052 29.375 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 62 19.472 26.463 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.893 27.805 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.240 26.089 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.470 26.043 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.026 27.738 -5.925 1.00 0.00 H new ATOM 967 N VAL A 63 20.474 26.740 -9.791 1.00 0.00 N ATOM 968 CA VAL A 63 21.183 26.851 -11.075 1.00 0.00 C ATOM 969 C VAL A 63 20.443 26.104 -12.191 1.00 0.00 C ATOM 970 O VAL A 63 19.753 25.118 -11.936 1.00 0.00 O ATOM 971 CB VAL A 63 22.617 26.317 -10.897 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.515 26.520 -12.116 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.343 26.961 -9.710 1.00 0.00 C ATOM 0 H VAL A 63 20.872 26.020 -9.187 1.00 0.00 H new ATOM 0 HA VAL A 63 21.222 27.898 -11.375 1.00 0.00 H new ATOM 0 HB VAL A 63 22.462 25.251 -10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.506 26.117 -11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.085 26.004 -12.974 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.595 27.585 -12.336 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.349 26.548 -9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.404 28.039 -9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.793 26.755 -8.792 1.00 0.00 H new ATOM 983 N GLY A 64 20.624 26.523 -13.446 1.00 0.00 N ATOM 984 CA GLY A 64 20.112 25.805 -14.618 1.00 0.00 C ATOM 985 C GLY A 64 18.616 26.032 -14.861 1.00 0.00 C ATOM 986 O GLY A 64 18.237 26.906 -15.643 1.00 0.00 O ATOM 0 H GLY A 64 21.133 27.375 -13.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.668 26.120 -15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.295 24.738 -14.490 1.00 0.00 H new ATOM 990 N THR A 65 17.750 25.226 -14.241 1.00 0.00 N ATOM 991 CA THR A 65 16.274 25.322 -14.345 1.00 0.00 C ATOM 992 C THR A 65 15.619 24.650 -13.127 1.00 0.00 C ATOM 993 O THR A 65 16.247 23.840 -12.446 1.00 0.00 O ATOM 994 CB THR A 65 15.747 24.670 -15.651 1.00 0.00 C ATOM 995 OG1 THR A 65 16.523 25.047 -16.771 1.00 0.00 O ATOM 996 CG2 THR A 65 14.313 25.070 -16.013 1.00 0.00 C ATOM 0 H THR A 65 18.055 24.465 -13.634 1.00 0.00 H new ATOM 0 HA THR A 65 16.010 26.379 -14.369 1.00 0.00 H new ATOM 0 HB THR A 65 15.801 23.602 -15.440 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.165 24.618 -17.576 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.019 24.573 -16.937 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.638 24.772 -15.210 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.260 26.150 -16.149 1.00 0.00 H new ATOM 1004 N LYS A 66 14.352 24.958 -12.829 1.00 0.00 N ATOM 1005 CA LYS A 66 13.569 24.253 -11.801 1.00 0.00 C ATOM 1006 C LYS A 66 13.148 22.851 -12.304 1.00 0.00 C ATOM 1007 O LYS A 66 12.636 22.746 -13.424 1.00 0.00 O ATOM 1008 CB LYS A 66 12.351 25.122 -11.424 1.00 0.00 C ATOM 1009 CG LYS A 66 11.630 24.684 -10.137 1.00 0.00 C ATOM 1010 CD LYS A 66 12.383 25.128 -8.873 1.00 0.00 C ATOM 1011 CE LYS A 66 11.672 24.610 -7.617 1.00 0.00 C ATOM 1012 NZ LYS A 66 12.299 25.156 -6.386 1.00 0.00 N ATOM 0 H LYS A 66 13.837 25.705 -13.294 1.00 0.00 H new ATOM 0 HA LYS A 66 14.175 24.097 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.679 26.155 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.639 25.104 -12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.624 25.103 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.524 23.599 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.406 24.752 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.444 26.216 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.619 24.891 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.710 23.521 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.855 24.725 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.316 24.939 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.165 26.187 -6.356 1.00 0.00 H new ATOM 1026 N PRO A 67 13.337 21.778 -11.513 1.00 0.00 N ATOM 1027 CA PRO A 67 13.008 20.406 -11.896 1.00 0.00 C ATOM 1028 C PRO A 67 11.507 20.081 -11.860 1.00 0.00 C ATOM 1029 O PRO A 67 10.721 20.685 -11.128 1.00 0.00 O ATOM 1030 CB PRO A 67 13.753 19.518 -10.904 1.00 0.00 C ATOM 1031 CG PRO A 67 13.819 20.375 -9.650 1.00 0.00 C ATOM 1032 CD PRO A 67 13.975 21.784 -10.208 1.00 0.00 C ATOM 0 HA PRO A 67 13.300 20.245 -12.934 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.223 18.582 -10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.747 19.257 -11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.917 20.277 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.660 20.097 -9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.508 22.517 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.027 22.055 -10.291 1.00 0.00 H new ATOM 1040 N THR A 68 11.136 19.061 -12.641 1.00 0.00 N ATOM 1041 CA THR A 68 9.726 18.674 -12.870 1.00 0.00 C ATOM 1042 C THR A 68 9.128 17.758 -11.787 1.00 0.00 C ATOM 1043 O THR A 68 7.942 17.867 -11.465 1.00 0.00 O ATOM 1044 CB THR A 68 9.577 18.078 -14.284 1.00 0.00 C ATOM 1045 OG1 THR A 68 8.218 17.894 -14.613 1.00 0.00 O ATOM 1046 CG2 THR A 68 10.290 16.734 -14.470 1.00 0.00 C ATOM 0 H THR A 68 11.804 18.472 -13.138 1.00 0.00 H new ATOM 0 HA THR A 68 9.134 19.586 -12.795 1.00 0.00 H new ATOM 0 HB THR A 68 10.048 18.806 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.148 17.516 -15.515 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.139 16.380 -15.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.357 16.859 -14.284 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.882 16.006 -13.769 1.00 0.00 H new ATOM 1054 N GLY A 69 9.946 16.878 -11.191 1.00 0.00 N ATOM 1055 CA GLY A 69 9.538 15.913 -10.154 1.00 0.00 C ATOM 1056 C GLY A 69 10.145 14.521 -10.344 1.00 0.00 C ATOM 1057 O GLY A 69 10.635 13.914 -9.392 1.00 0.00 O ATOM 0 H GLY A 69 10.937 16.815 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.829 16.297 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.451 15.830 -10.153 1.00 0.00 H new ATOM 1061 N ASP A 70 10.199 14.053 -11.592 1.00 0.00 N ATOM 1062 CA ASP A 70 10.893 12.827 -12.016 1.00 0.00 C ATOM 1063 C ASP A 70 12.414 13.044 -12.137 1.00 0.00 C ATOM 1064 O ASP A 70 13.010 12.915 -13.209 1.00 0.00 O ATOM 1065 CB ASP A 70 10.262 12.261 -13.295 1.00 0.00 C ATOM 1066 CG ASP A 70 8.739 12.083 -13.182 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.292 11.094 -12.551 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.982 12.918 -13.735 1.00 0.00 O ATOM 0 H ASP A 70 9.744 14.533 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 70 10.764 12.073 -11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.484 12.927 -14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.719 11.299 -13.525 1.00 0.00 H new ATOM 1073 N VAL A 71 13.031 13.446 -11.022 1.00 0.00 N ATOM 1074 CA VAL A 71 14.441 13.852 -10.932 1.00 0.00 C ATOM 1075 C VAL A 71 15.220 13.104 -9.840 1.00 0.00 C ATOM 1076 O VAL A 71 14.660 12.585 -8.873 1.00 0.00 O ATOM 1077 CB VAL A 71 14.584 15.385 -10.797 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.052 16.112 -12.045 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.885 15.948 -9.554 1.00 0.00 C ATOM 0 H VAL A 71 12.548 13.500 -10.125 1.00 0.00 H new ATOM 0 HA VAL A 71 14.901 13.559 -11.876 1.00 0.00 H new ATOM 0 HB VAL A 71 15.654 15.567 -10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.168 17.188 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.614 15.789 -12.921 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.997 15.875 -12.182 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.023 17.029 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.820 15.719 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.314 15.497 -8.659 1.00 0.00 H new ATOM 1089 N LEU A 72 16.540 13.058 -10.020 1.00 0.00 N ATOM 1090 CA LEU A 72 17.536 12.387 -9.183 1.00 0.00 C ATOM 1091 C LEU A 72 18.180 13.371 -8.215 1.00 0.00 C ATOM 1092 O LEU A 72 18.910 14.266 -8.632 1.00 0.00 O ATOM 1093 CB LEU A 72 18.610 11.763 -10.091 1.00 0.00 C ATOM 1094 CG LEU A 72 18.059 10.628 -10.959 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.113 10.169 -11.964 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.637 9.439 -10.104 1.00 0.00 C ATOM 0 H LEU A 72 16.975 13.525 -10.816 1.00 0.00 H new ATOM 0 HA LEU A 72 17.046 11.609 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.031 12.536 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.425 11.382 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 72 17.187 11.011 -11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.707 9.362 -12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.391 11.004 -12.606 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.994 9.812 -11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.250 8.648 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.498 9.067 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.861 9.751 -9.405 1.00 0.00 H new ATOM 1108 N GLN A 73 17.922 13.193 -6.924 1.00 0.00 N ATOM 1109 CA GLN A 73 18.313 14.135 -5.867 1.00 0.00 C ATOM 1110 C GLN A 73 19.606 13.722 -5.140 1.00 0.00 C ATOM 1111 O GLN A 73 19.595 12.840 -4.280 1.00 0.00 O ATOM 1112 CB GLN A 73 17.144 14.314 -4.883 1.00 0.00 C ATOM 1113 CG GLN A 73 15.937 15.014 -5.531 1.00 0.00 C ATOM 1114 CD GLN A 73 14.951 15.558 -4.497 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.651 14.942 -3.481 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.412 16.739 -4.707 1.00 0.00 N ATOM 0 H GLN A 73 17.426 12.375 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 73 18.538 15.091 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.836 13.338 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.480 14.895 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.290 15.833 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.421 14.311 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.650 17.266 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.756 17.128 -4.030 1.00 0.00 H new ATOM 1125 N GLY A 74 20.728 14.347 -5.505 1.00 0.00 N ATOM 1126 CA GLY A 74 22.007 14.256 -4.780 1.00 0.00 C ATOM 1127 C GLY A 74 22.029 15.295 -3.657 1.00 0.00 C ATOM 1128 O GLY A 74 21.355 16.316 -3.777 1.00 0.00 O ATOM 0 H GLY A 74 20.778 14.945 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.133 13.255 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.838 14.426 -5.464 1.00 0.00 H new ATOM 1132 N ARG A 75 22.772 15.073 -2.568 1.00 0.00 N ATOM 1133 CA ARG A 75 22.698 15.901 -1.345 1.00 0.00 C ATOM 1134 C ARG A 75 24.041 15.957 -0.599 1.00 0.00 C ATOM 1135 O ARG A 75 24.864 15.053 -0.733 1.00 0.00 O ATOM 1136 CB ARG A 75 21.553 15.354 -0.466 1.00 0.00 C ATOM 1137 CG ARG A 75 21.067 16.337 0.610 1.00 0.00 C ATOM 1138 CD ARG A 75 19.796 15.801 1.280 1.00 0.00 C ATOM 1139 NE ARG A 75 19.288 16.730 2.310 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.154 16.611 2.982 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.339 15.610 2.792 1.00 0.00 N ATOM 1142 NH2 ARG A 75 17.813 17.503 3.867 1.00 0.00 N ATOM 0 H ARG A 75 23.447 14.311 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 75 22.484 16.935 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.712 15.088 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.887 14.437 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.847 16.484 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.868 17.310 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.027 15.639 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.005 14.833 1.735 1.00 0.00 H new ATOM 0 HE ARG A 75 19.867 17.542 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.568 14.889 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.473 15.549 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.422 18.301 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.937 17.403 4.380 1.00 0.00 H new ATOM 1156 N ALA A 76 24.264 17.023 0.176 1.00 0.00 N ATOM 1157 CA ALA A 76 25.459 17.205 1.008 1.00 0.00 C ATOM 1158 C ALA A 76 25.291 18.290 2.091 1.00 0.00 C ATOM 1159 O ALA A 76 24.373 19.114 2.049 1.00 0.00 O ATOM 1160 CB ALA A 76 26.651 17.528 0.090 1.00 0.00 C ATOM 0 H ALA A 76 23.606 17.799 0.244 1.00 0.00 H new ATOM 0 HA ALA A 76 25.634 16.276 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.548 17.666 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.806 16.705 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.444 18.442 -0.467 1.00 0.00 H new ATOM 1166 N THR A 77 26.249 18.313 3.021 1.00 0.00 N ATOM 1167 CA THR A 77 26.426 19.342 4.060 1.00 0.00 C ATOM 1168 C THR A 77 27.852 19.890 3.939 1.00 0.00 C ATOM 1169 O THR A 77 28.802 19.117 3.795 1.00 0.00 O ATOM 1170 CB THR A 77 26.170 18.773 5.467 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.877 18.203 5.531 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.231 19.835 6.568 1.00 0.00 C ATOM 0 H THR A 77 26.958 17.582 3.076 1.00 0.00 H new ATOM 0 HA THR A 77 25.701 20.142 3.914 1.00 0.00 H new ATOM 0 HB THR A 77 26.958 18.038 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.723 17.842 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.042 19.368 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.219 20.296 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.476 20.598 6.380 1.00 0.00 H new ATOM 1180 N GLY A 78 28.001 21.214 3.956 1.00 0.00 N ATOM 1181 CA GLY A 78 29.298 21.885 3.818 1.00 0.00 C ATOM 1182 C GLY A 78 29.983 22.222 5.149 1.00 0.00 C ATOM 1183 O GLY A 78 29.486 21.897 6.232 1.00 0.00 O ATOM 0 H GLY A 78 27.219 21.859 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 29.962 21.249 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.158 22.806 3.252 1.00 0.00 H new ATOM 1187 N GLU A 79 31.159 22.846 5.067 1.00 0.00 N ATOM 1188 CA GLU A 79 32.055 23.052 6.211 1.00 0.00 C ATOM 1189 C GLU A 79 31.809 24.345 7.021 1.00 0.00 C ATOM 1190 O GLU A 79 32.349 24.451 8.126 1.00 0.00 O ATOM 1191 CB GLU A 79 33.516 22.890 5.763 1.00 0.00 C ATOM 1192 CG GLU A 79 33.852 21.421 5.463 1.00 0.00 C ATOM 1193 CD GLU A 79 35.346 21.235 5.138 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.191 21.328 6.064 1.00 0.00 O ATOM 1195 OE2 GLU A 79 35.687 20.952 3.963 1.00 0.00 O ATOM 0 H GLU A 79 31.523 23.228 4.194 1.00 0.00 H new ATOM 0 HA GLU A 79 31.816 22.272 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.694 23.494 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.180 23.265 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.586 20.804 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.251 21.074 4.623 1.00 0.00 H new ATOM 1202 N GLU A 80 30.974 25.294 6.565 1.00 0.00 N ATOM 1203 CA GLU A 80 30.523 26.430 7.395 1.00 0.00 C ATOM 1204 C GLU A 80 29.108 26.177 7.965 1.00 0.00 C ATOM 1205 O GLU A 80 28.494 27.056 8.578 1.00 0.00 O ATOM 1206 CB GLU A 80 30.523 27.719 6.581 1.00 0.00 C ATOM 1207 CG GLU A 80 31.880 28.083 5.985 1.00 0.00 C ATOM 1208 CD GLU A 80 32.836 28.682 7.037 1.00 0.00 C ATOM 1209 OE1 GLU A 80 33.579 27.927 7.710 1.00 0.00 O ATOM 1210 OE2 GLU A 80 32.846 29.927 7.206 1.00 0.00 O ATOM 0 H GLU A 80 30.594 25.298 5.619 1.00 0.00 H new ATOM 0 HA GLU A 80 31.221 26.530 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.797 27.625 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.187 28.537 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.334 27.193 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.739 28.799 5.175 1.00 0.00 H new ATOM 1217 N GLY A 81 28.590 24.964 7.759 1.00 0.00 N ATOM 1218 CA GLY A 81 27.287 24.470 8.218 1.00 0.00 C ATOM 1219 C GLY A 81 26.161 24.637 7.197 1.00 0.00 C ATOM 1220 O GLY A 81 24.983 24.599 7.559 1.00 0.00 O ATOM 0 H GLY A 81 29.101 24.254 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.380 23.414 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.014 24.995 9.134 1.00 0.00 H new ATOM 1224 N GLU A 82 26.502 24.844 5.924 1.00 0.00 N ATOM 1225 CA GLU A 82 25.573 24.989 4.812 1.00 0.00 C ATOM 1226 C GLU A 82 25.016 23.651 4.297 1.00 0.00 C ATOM 1227 O GLU A 82 25.426 22.572 4.727 1.00 0.00 O ATOM 1228 CB GLU A 82 26.241 25.819 3.705 1.00 0.00 C ATOM 1229 CG GLU A 82 27.290 25.126 2.818 1.00 0.00 C ATOM 1230 CD GLU A 82 28.731 25.190 3.365 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.923 25.109 4.599 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.672 25.231 2.539 1.00 0.00 O ATOM 0 H GLU A 82 27.476 24.918 5.632 1.00 0.00 H new ATOM 0 HA GLU A 82 24.693 25.521 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.455 26.203 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.716 26.681 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.008 24.081 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.270 25.582 1.828 1.00 0.00 H new ATOM 1239 N THR A 83 24.096 23.709 3.332 1.00 0.00 N ATOM 1240 CA THR A 83 23.415 22.540 2.761 1.00 0.00 C ATOM 1241 C THR A 83 23.350 22.679 1.236 1.00 0.00 C ATOM 1242 O THR A 83 23.121 23.767 0.702 1.00 0.00 O ATOM 1243 CB THR A 83 22.018 22.386 3.381 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.088 22.394 4.791 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.301 21.105 2.981 1.00 0.00 C ATOM 0 H THR A 83 23.795 24.590 2.915 1.00 0.00 H new ATOM 0 HA THR A 83 23.976 21.635 2.994 1.00 0.00 H new ATOM 0 HB THR A 83 21.454 23.236 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.807 21.521 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.322 21.071 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.177 21.081 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.890 20.244 3.298 1.00 0.00 H new ATOM 1253 N VAL A 84 23.575 21.558 0.553 1.00 0.00 N ATOM 1254 CA VAL A 84 23.675 21.454 -0.913 1.00 0.00 C ATOM 1255 C VAL A 84 22.774 20.339 -1.433 1.00 0.00 C ATOM 1256 O VAL A 84 22.645 19.287 -0.808 1.00 0.00 O ATOM 1257 CB VAL A 84 25.145 21.270 -1.351 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.316 21.041 -2.860 1.00 0.00 C ATOM 1259 CG2 VAL A 84 25.972 22.511 -0.988 1.00 0.00 C ATOM 0 H VAL A 84 23.698 20.659 1.018 1.00 0.00 H new ATOM 0 HA VAL A 84 23.325 22.386 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 84 25.489 20.381 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.374 20.920 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.775 20.142 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.920 21.898 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.005 22.365 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.559 23.384 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.940 22.667 0.090 1.00 0.00 H new ATOM 1269 N LEU A 85 22.175 20.568 -2.601 1.00 0.00 N ATOM 1270 CA LEU A 85 21.388 19.598 -3.356 1.00 0.00 C ATOM 1271 C LEU A 85 21.808 19.652 -4.843 1.00 0.00 C ATOM 1272 O LEU A 85 22.228 20.691 -5.351 1.00 0.00 O ATOM 1273 CB LEU A 85 19.893 19.899 -3.103 1.00 0.00 C ATOM 1274 CG LEU A 85 18.891 18.860 -3.646 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.692 17.694 -2.675 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.519 19.495 -3.857 1.00 0.00 C ATOM 0 H LEU A 85 22.228 21.474 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 85 21.567 18.572 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.739 19.995 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.658 20.867 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 85 19.310 18.497 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.979 16.986 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.645 17.192 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.310 18.072 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.826 18.746 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.147 19.881 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.603 20.312 -4.573 1.00 0.00 H new ATOM 1288 N VAL A 86 21.690 18.523 -5.535 1.00 0.00 N ATOM 1289 CA VAL A 86 21.860 18.373 -6.991 1.00 0.00 C ATOM 1290 C VAL A 86 20.621 17.700 -7.556 1.00 0.00 C ATOM 1291 O VAL A 86 20.135 16.744 -6.958 1.00 0.00 O ATOM 1292 CB VAL A 86 23.120 17.555 -7.330 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.141 17.085 -8.790 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.375 18.398 -7.083 1.00 0.00 C ATOM 0 H VAL A 86 21.462 17.639 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 86 21.988 19.359 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 86 23.103 16.677 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.050 16.513 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.272 16.456 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.116 17.951 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.261 17.811 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.345 19.287 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.413 18.696 -6.035 1.00 0.00 H new ATOM 1304 N GLU A 87 20.131 18.161 -8.707 1.00 0.00 N ATOM 1305 CA GLU A 87 18.959 17.589 -9.373 1.00 0.00 C ATOM 1306 C GLU A 87 19.191 17.437 -10.890 1.00 0.00 C ATOM 1307 O GLU A 87 19.773 18.303 -11.541 1.00 0.00 O ATOM 1308 CB GLU A 87 17.693 18.397 -9.016 1.00 0.00 C ATOM 1309 CG GLU A 87 17.474 18.449 -7.491 1.00 0.00 C ATOM 1310 CD GLU A 87 16.098 19.005 -7.094 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.141 18.201 -6.973 1.00 0.00 O ATOM 1312 OE2 GLU A 87 15.980 20.231 -6.856 1.00 0.00 O ATOM 0 H GLU A 87 20.540 18.949 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 87 18.797 16.576 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.783 19.410 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.824 17.946 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.585 17.445 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.251 19.066 -7.040 1.00 0.00 H new ATOM 1319 N GLU A 88 18.742 16.309 -11.449 1.00 0.00 N ATOM 1320 CA GLU A 88 18.728 16.024 -12.885 1.00 0.00 C ATOM 1321 C GLU A 88 17.643 15.003 -13.273 1.00 0.00 C ATOM 1322 O GLU A 88 17.227 14.241 -12.404 1.00 0.00 O ATOM 1323 CB GLU A 88 20.121 15.557 -13.308 1.00 0.00 C ATOM 1324 CG GLU A 88 20.671 14.290 -12.653 1.00 0.00 C ATOM 1325 CD GLU A 88 22.005 13.917 -13.326 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.942 14.748 -13.337 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.143 12.791 -13.857 1.00 0.00 O ATOM 0 H GLU A 88 18.365 15.542 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 88 18.473 16.939 -13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.110 15.400 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.822 16.368 -13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.820 14.452 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.957 13.473 -12.754 1.00 0.00 H new ATOM 1334 N PRO A 89 17.155 14.953 -14.527 1.00 0.00 N ATOM 1335 CA PRO A 89 16.099 14.015 -14.923 1.00 0.00 C ATOM 1336 C PRO A 89 16.470 12.534 -14.711 1.00 0.00 C ATOM 1337 O PRO A 89 17.586 12.098 -15.014 1.00 0.00 O ATOM 1338 CB PRO A 89 15.774 14.338 -16.387 1.00 0.00 C ATOM 1339 CG PRO A 89 17.023 15.060 -16.890 1.00 0.00 C ATOM 1340 CD PRO A 89 17.509 15.807 -15.652 1.00 0.00 C ATOM 0 HA PRO A 89 15.225 14.144 -14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.577 13.433 -16.962 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.888 14.967 -16.470 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.773 14.360 -17.259 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.793 15.742 -17.709 1.00 0.00 H new ATOM 0 HD2 PRO A 89 18.585 15.979 -15.693 1.00 0.00 H new ATOM 0 HD3 PRO A 89 17.033 16.784 -15.570 1.00 0.00 H new ATOM 1348 N ARG A 90 15.485 11.770 -14.215 1.00 0.00 N ATOM 1349 CA ARG A 90 15.526 10.306 -14.058 1.00 0.00 C ATOM 1350 C ARG A 90 15.195 9.573 -15.366 1.00 0.00 C ATOM 1351 O ARG A 90 14.159 9.885 -16.001 1.00 0.00 O ATOM 1352 CB ARG A 90 14.631 9.862 -12.884 1.00 0.00 C ATOM 1353 CG ARG A 90 14.901 8.389 -12.527 1.00 0.00 C ATOM 1354 CD ARG A 90 14.293 7.971 -11.181 1.00 0.00 C ATOM 1355 NE ARG A 90 14.862 6.689 -10.712 1.00 0.00 N ATOM 1356 CZ ARG A 90 14.383 5.885 -9.780 1.00 0.00 C ATOM 1357 NH1 ARG A 90 13.262 6.116 -9.162 1.00 0.00 N ATOM 1358 NH2 ARG A 90 15.048 4.820 -9.452 1.00 0.00 N ATOM 1359 OXT ARG A 90 15.983 8.681 -15.760 1.00 0.00 O ATOM 0 H ARG A 90 14.602 12.170 -13.899 1.00 0.00 H new ATOM 0 HA ARG A 90 16.550 10.022 -13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.820 10.493 -12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.582 9.992 -13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.498 7.752 -13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.977 8.220 -12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.478 8.747 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.212 7.877 -11.281 1.00 0.00 H new ATOM 0 HE ARG A 90 15.727 6.390 -11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.715 6.946 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.930 5.467 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.933 4.609 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.685 4.194 -8.733 1.00 0.00 H new