USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 499 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 26:sc= 0.219 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.109) USER MOD Single : A 38 SER OG : rot 180:sc= -1.04 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00186) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0114 (180deg=-0.169) USER MOD Single : A 50 THR OG1 : rot -8:sc= 0.0746 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 10:sc= -1.29 USER MOD Single : A 65 GLN : amide:sc= -1.44! C(o=-1.4!,f=-0.73!) USER MOD Single : A 66 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.1!) USER MOD Single : A 68 GLN : amide:sc= -2.45 K(o=-2.4,f=-4!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.566 -16.479 -8.189 1.00 0.00 N ATOM 192 CA VAL A 10 7.959 -15.363 -7.475 1.00 0.00 C ATOM 193 C VAL A 10 7.258 -14.410 -8.437 1.00 0.00 C ATOM 194 O VAL A 10 7.764 -14.120 -9.521 1.00 0.00 O ATOM 195 CB VAL A 10 9.008 -14.577 -6.666 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.366 -13.385 -5.973 1.00 0.00 C ATOM 197 CG2 VAL A 10 9.692 -15.486 -5.656 1.00 0.00 C ATOM 0 HA VAL A 10 7.225 -15.788 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 10 9.765 -14.202 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.123 -12.842 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.927 -12.723 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.587 -13.734 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.430 -14.914 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.948 -15.893 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.188 -16.303 -6.180 1.00 0.00 H new ATOM 207 N LYS A 11 6.088 -13.926 -8.034 1.00 0.00 N ATOM 208 CA LYS A 11 5.316 -13.004 -8.858 1.00 0.00 C ATOM 209 C LYS A 11 5.315 -11.604 -8.254 1.00 0.00 C ATOM 210 O LYS A 11 4.843 -11.400 -7.135 1.00 0.00 O ATOM 211 CB LYS A 11 3.878 -13.506 -9.011 1.00 0.00 C ATOM 212 CG LYS A 11 3.086 -12.766 -10.075 1.00 0.00 C ATOM 213 CD LYS A 11 1.848 -13.544 -10.490 1.00 0.00 C ATOM 214 CE LYS A 11 1.036 -12.786 -11.530 1.00 0.00 C ATOM 215 NZ LYS A 11 0.221 -13.704 -12.373 1.00 0.00 N ATOM 0 H LYS A 11 5.653 -14.157 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 11 5.784 -12.956 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.897 -14.568 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.364 -13.409 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.792 -11.787 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.718 -12.594 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.144 -14.513 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.229 -13.739 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.380 -12.073 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.708 -12.209 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.318 -13.150 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.849 -14.368 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.438 -14.236 -11.770 1.00 0.00 H new ATOM 229 N VAL A 12 5.845 -10.641 -9.001 1.00 0.00 N ATOM 230 CA VAL A 12 5.902 -9.259 -8.540 1.00 0.00 C ATOM 231 C VAL A 12 5.027 -8.355 -9.401 1.00 0.00 C ATOM 232 O VAL A 12 4.908 -8.556 -10.610 1.00 0.00 O ATOM 233 CB VAL A 12 7.346 -8.722 -8.554 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.366 -7.236 -8.231 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.213 -9.501 -7.577 1.00 0.00 C ATOM 0 H VAL A 12 6.241 -10.793 -9.929 1.00 0.00 H new ATOM 0 HA VAL A 12 5.529 -9.252 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 12 7.756 -8.857 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.394 -6.874 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.780 -6.694 -8.974 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.938 -7.073 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.230 -9.108 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.808 -9.400 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.224 -10.554 -7.860 1.00 0.00 H new ATOM 245 N VAL A 13 4.416 -7.357 -8.770 1.00 0.00 N ATOM 246 CA VAL A 13 3.552 -6.420 -9.479 1.00 0.00 C ATOM 247 C VAL A 13 3.847 -4.982 -9.067 1.00 0.00 C ATOM 248 O VAL A 13 3.886 -4.661 -7.879 1.00 0.00 O ATOM 249 CB VAL A 13 2.064 -6.722 -9.219 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.181 -5.722 -9.948 1.00 0.00 C ATOM 251 CG2 VAL A 13 1.729 -8.146 -9.637 1.00 0.00 C ATOM 0 H VAL A 13 4.503 -7.177 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 13 3.759 -6.540 -10.542 1.00 0.00 H new ATOM 0 HB VAL A 13 1.873 -6.627 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.133 -5.951 -9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.404 -4.715 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.372 -5.782 -11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.674 -8.342 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.935 -8.271 -10.700 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.338 -8.846 -9.064 1.00 0.00 H new ATOM 261 N TYR A 14 4.052 -4.120 -10.057 1.00 0.00 N ATOM 262 CA TYR A 14 4.346 -2.716 -9.798 1.00 0.00 C ATOM 263 C TYR A 14 3.186 -1.827 -10.237 1.00 0.00 C ATOM 264 O TYR A 14 2.701 -1.931 -11.365 1.00 0.00 O ATOM 265 CB TYR A 14 5.626 -2.298 -10.523 1.00 0.00 C ATOM 266 CG TYR A 14 6.877 -2.930 -9.956 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.252 -4.218 -10.317 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.683 -2.240 -9.059 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.394 -4.801 -9.801 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.827 -2.814 -8.539 1.00 0.00 C ATOM 271 CZ TYR A 14 9.178 -4.094 -8.913 1.00 0.00 C ATOM 272 OH TYR A 14 10.316 -4.669 -8.397 1.00 0.00 O ATOM 0 H TYR A 14 4.020 -4.369 -11.046 1.00 0.00 H new ATOM 0 HA TYR A 14 4.489 -2.593 -8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.540 -2.564 -11.577 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.723 -1.213 -10.475 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.641 -4.773 -11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.411 -1.238 -8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.671 -5.804 -10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.443 -2.263 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 14 10.754 -4.038 -7.788 1.00 0.00 H new ATOM 282 N LEU A 15 2.746 -0.953 -9.339 1.00 0.00 N ATOM 283 CA LEU A 15 1.643 -0.044 -9.632 1.00 0.00 C ATOM 284 C LEU A 15 1.969 1.374 -9.173 1.00 0.00 C ATOM 285 O LEU A 15 2.478 1.578 -8.071 1.00 0.00 O ATOM 286 CB LEU A 15 0.361 -0.530 -8.953 1.00 0.00 C ATOM 287 CG LEU A 15 -0.180 -1.878 -9.428 1.00 0.00 C ATOM 288 CD1 LEU A 15 -1.242 -2.395 -8.470 1.00 0.00 C ATOM 289 CD2 LEU A 15 -0.742 -1.761 -10.838 1.00 0.00 C ATOM 0 H LEU A 15 3.136 -0.854 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 15 1.493 -0.031 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.543 -0.592 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.413 0.223 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 15 0.643 -2.592 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.615 -3.356 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.808 -2.518 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.065 -1.682 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.123 -2.730 -11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.552 -1.032 -10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.046 -1.437 -11.518 1.00 0.00 H new ATOM 301 N ARG A 16 1.671 2.349 -10.025 1.00 0.00 N ATOM 302 CA ARG A 16 1.931 3.748 -9.707 1.00 0.00 C ATOM 303 C ARG A 16 0.633 4.484 -9.389 1.00 0.00 C ATOM 304 O ARG A 16 -0.229 4.644 -10.255 1.00 0.00 O ATOM 305 CB ARG A 16 2.648 4.434 -10.872 1.00 0.00 C ATOM 306 CG ARG A 16 2.922 5.909 -10.634 1.00 0.00 C ATOM 307 CD ARG A 16 4.164 6.115 -9.780 1.00 0.00 C ATOM 308 NE ARG A 16 4.767 7.427 -9.998 1.00 0.00 N ATOM 309 CZ ARG A 16 5.531 7.720 -11.045 1.00 0.00 C ATOM 310 NH1 ARG A 16 5.783 6.799 -11.964 1.00 0.00 N ATOM 311 NH2 ARG A 16 6.043 8.937 -11.173 1.00 0.00 N ATOM 0 H ARG A 16 1.249 2.196 -10.941 1.00 0.00 H new ATOM 0 HA ARG A 16 2.572 3.781 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.593 3.923 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.045 4.326 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.049 6.415 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.062 6.365 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.902 6.007 -8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.894 5.338 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 16 4.592 8.158 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.390 5.863 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.370 7.027 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.850 9.648 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.629 9.162 -11.977 1.00 0.00 H new ATOM 325 N CYS A 17 0.501 4.930 -8.145 1.00 0.00 N ATOM 326 CA CYS A 17 -0.693 5.648 -7.713 1.00 0.00 C ATOM 327 C CYS A 17 -0.349 6.681 -6.645 1.00 0.00 C ATOM 328 O CYS A 17 0.761 6.694 -6.112 1.00 0.00 O ATOM 329 CB CYS A 17 -1.737 4.668 -7.175 1.00 0.00 C ATOM 330 SG CYS A 17 -2.771 3.915 -8.453 1.00 0.00 S ATOM 0 H CYS A 17 1.206 4.807 -7.418 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.106 6.169 -8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.228 3.878 -6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.378 5.191 -6.465 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.126 3.902 -9.581 1.00 0.00 H new ATOM 336 N THR A 18 -1.309 7.549 -6.338 1.00 0.00 N ATOM 337 CA THR A 18 -1.107 8.588 -5.336 1.00 0.00 C ATOM 338 C THR A 18 -1.137 8.006 -3.927 1.00 0.00 C ATOM 339 O THR A 18 -1.896 7.080 -3.643 1.00 0.00 O ATOM 340 CB THR A 18 -2.177 9.690 -5.446 1.00 0.00 C ATOM 341 OG1 THR A 18 -2.119 10.301 -6.740 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.978 10.748 -4.371 1.00 0.00 C ATOM 0 H THR A 18 -2.233 7.553 -6.769 1.00 0.00 H new ATOM 0 HA THR A 18 -0.126 9.024 -5.526 1.00 0.00 H new ATOM 0 HB THR A 18 -3.155 9.231 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.803 11.000 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.746 11.515 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.052 10.285 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.994 11.202 -4.486 1.00 0.00 H new ATOM 350 N GLY A 19 -0.306 8.556 -3.046 1.00 0.00 N ATOM 351 CA GLY A 19 -0.254 8.079 -1.677 1.00 0.00 C ATOM 352 C GLY A 19 -1.608 8.122 -0.996 1.00 0.00 C ATOM 353 O GLY A 19 -2.169 9.195 -0.781 1.00 0.00 O ATOM 0 H GLY A 19 0.332 9.323 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.122 7.056 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.453 8.685 -1.111 1.00 0.00 H new ATOM 357 N GLY A 20 -2.135 6.949 -0.658 1.00 0.00 N ATOM 358 CA GLY A 20 -3.429 6.879 -0.003 1.00 0.00 C ATOM 359 C GLY A 20 -4.554 7.377 -0.887 1.00 0.00 C ATOM 360 O GLY A 20 -5.094 8.460 -0.663 1.00 0.00 O ATOM 0 H GLY A 20 -1.690 6.047 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.630 5.848 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.402 7.470 0.912 1.00 0.00 H new ATOM 364 N GLU A 21 -4.907 6.587 -1.896 1.00 0.00 N ATOM 365 CA GLU A 21 -5.974 6.957 -2.819 1.00 0.00 C ATOM 366 C GLU A 21 -6.851 5.752 -3.147 1.00 0.00 C ATOM 367 O GLU A 21 -6.391 4.778 -3.743 1.00 0.00 O ATOM 368 CB GLU A 21 -5.387 7.540 -4.106 1.00 0.00 C ATOM 369 CG GLU A 21 -4.607 6.530 -4.931 1.00 0.00 C ATOM 370 CD GLU A 21 -5.480 5.791 -5.926 1.00 0.00 C ATOM 371 OE1 GLU A 21 -6.281 6.452 -6.619 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.362 4.550 -6.011 1.00 0.00 O ATOM 0 H GLU A 21 -4.470 5.687 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.592 7.714 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.196 7.945 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.731 8.373 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.808 7.043 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.133 5.810 -4.264 1.00 0.00 H new ATOM 437 N ALA A 27 -10.995 -2.382 -11.991 1.00 0.00 N ATOM 438 CA ALA A 27 -9.736 -2.471 -12.721 1.00 0.00 C ATOM 439 C ALA A 27 -8.869 -3.605 -12.185 1.00 0.00 C ATOM 440 O ALA A 27 -8.083 -4.201 -12.922 1.00 0.00 O ATOM 441 CB ALA A 27 -8.987 -1.149 -12.645 1.00 0.00 C ATOM 0 HA ALA A 27 -9.964 -2.687 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.049 -1.230 -13.194 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.597 -0.359 -13.083 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.777 -0.909 -11.603 1.00 0.00 H new ATOM 447 N LEU A 28 -9.015 -3.897 -10.897 1.00 0.00 N ATOM 448 CA LEU A 28 -8.244 -4.959 -10.261 1.00 0.00 C ATOM 449 C LEU A 28 -8.968 -6.297 -10.370 1.00 0.00 C ATOM 450 O LEU A 28 -8.396 -7.349 -10.085 1.00 0.00 O ATOM 451 CB LEU A 28 -7.991 -4.622 -8.791 1.00 0.00 C ATOM 452 CG LEU A 28 -7.143 -3.378 -8.524 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.159 -3.028 -7.044 1.00 0.00 C ATOM 454 CD2 LEU A 28 -5.716 -3.591 -9.008 1.00 0.00 C ATOM 0 H LEU A 28 -9.660 -3.413 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.288 -5.040 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.954 -4.493 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.504 -5.477 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.573 -2.544 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.550 -2.140 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.183 -2.832 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.755 -3.861 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.127 -2.695 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.276 -4.438 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.721 -3.792 -10.079 1.00 0.00 H new ATOM 466 N ALA A 29 -10.229 -6.250 -10.787 1.00 0.00 N ATOM 467 CA ALA A 29 -11.030 -7.459 -10.938 1.00 0.00 C ATOM 468 C ALA A 29 -10.311 -8.489 -11.803 1.00 0.00 C ATOM 469 O ALA A 29 -10.061 -9.620 -11.385 1.00 0.00 O ATOM 470 CB ALA A 29 -12.388 -7.121 -11.536 1.00 0.00 C ATOM 0 H ALA A 29 -10.718 -5.388 -11.026 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.178 -7.893 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.975 -8.033 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.912 -6.427 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.250 -6.661 -12.515 1.00 0.00 H new ATOM 476 N PRO A 30 -9.969 -8.092 -13.038 1.00 0.00 N ATOM 477 CA PRO A 30 -9.274 -8.966 -13.987 1.00 0.00 C ATOM 478 C PRO A 30 -7.833 -9.243 -13.572 1.00 0.00 C ATOM 479 O PRO A 30 -7.231 -10.228 -14.000 1.00 0.00 O ATOM 480 CB PRO A 30 -9.311 -8.171 -15.294 1.00 0.00 C ATOM 481 CG PRO A 30 -9.425 -6.748 -14.869 1.00 0.00 C ATOM 482 CD PRO A 30 -10.235 -6.758 -13.602 1.00 0.00 C ATOM 0 HA PRO A 30 -9.743 -9.947 -14.056 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.410 -8.337 -15.884 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.157 -8.468 -15.914 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.441 -6.311 -14.700 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.911 -6.149 -15.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.926 -5.965 -12.921 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.296 -6.611 -13.802 1.00 0.00 H new ATOM 490 N LYS A 31 -7.285 -8.369 -12.735 1.00 0.00 N ATOM 491 CA LYS A 31 -5.915 -8.519 -12.260 1.00 0.00 C ATOM 492 C LYS A 31 -5.832 -9.579 -11.166 1.00 0.00 C ATOM 493 O LYS A 31 -4.905 -10.390 -11.145 1.00 0.00 O ATOM 494 CB LYS A 31 -5.387 -7.183 -11.731 1.00 0.00 C ATOM 495 CG LYS A 31 -5.161 -6.146 -12.817 1.00 0.00 C ATOM 496 CD LYS A 31 -4.463 -4.911 -12.272 1.00 0.00 C ATOM 497 CE LYS A 31 -4.297 -3.846 -13.345 1.00 0.00 C ATOM 498 NZ LYS A 31 -3.680 -2.604 -12.802 1.00 0.00 N ATOM 0 H LYS A 31 -7.769 -7.548 -12.371 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.299 -8.839 -13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.093 -6.786 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.449 -7.356 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.562 -6.580 -13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.118 -5.861 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.038 -4.504 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.485 -5.188 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.677 -4.237 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.270 -3.610 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.857 -1.814 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.097 -2.386 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.655 -2.743 -12.697 1.00 0.00 H new ATOM 512 N ILE A 32 -6.805 -9.568 -10.262 1.00 0.00 N ATOM 513 CA ILE A 32 -6.842 -10.530 -9.168 1.00 0.00 C ATOM 514 C ILE A 32 -7.810 -11.669 -9.471 1.00 0.00 C ATOM 515 O ILE A 32 -8.010 -12.563 -8.649 1.00 0.00 O ATOM 516 CB ILE A 32 -7.253 -9.861 -7.843 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.578 -8.495 -7.706 1.00 0.00 C ATOM 518 CG2 ILE A 32 -6.896 -10.755 -6.665 1.00 0.00 C ATOM 519 CD1 ILE A 32 -6.884 -7.798 -6.398 1.00 0.00 C ATOM 0 H ILE A 32 -7.579 -8.903 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.833 -10.930 -9.065 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.333 -9.713 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.499 -8.621 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.896 -7.857 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.193 -10.268 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.419 -11.707 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.820 -10.931 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.373 -6.836 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.959 -7.640 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.541 -8.415 -5.568 1.00 0.00 H new ATOM 531 N GLY A 33 -8.406 -11.632 -10.658 1.00 0.00 N ATOM 532 CA GLY A 33 -9.345 -12.668 -11.050 1.00 0.00 C ATOM 533 C GLY A 33 -8.736 -14.055 -10.987 1.00 0.00 C ATOM 534 O GLY A 33 -9.210 -14.932 -10.264 1.00 0.00 O ATOM 0 H GLY A 33 -8.256 -10.903 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.218 -12.628 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.694 -12.473 -12.064 1.00 0.00 H new ATOM 538 N PRO A 34 -7.662 -14.269 -11.761 1.00 0.00 N ATOM 539 CA PRO A 34 -6.966 -15.559 -11.809 1.00 0.00 C ATOM 540 C PRO A 34 -6.217 -15.862 -10.515 1.00 0.00 C ATOM 541 O PRO A 34 -6.029 -17.024 -10.152 1.00 0.00 O ATOM 542 CB PRO A 34 -5.982 -15.387 -12.968 1.00 0.00 C ATOM 543 CG PRO A 34 -5.749 -13.919 -13.054 1.00 0.00 C ATOM 544 CD PRO A 34 -7.043 -13.270 -12.648 1.00 0.00 C ATOM 0 HA PRO A 34 -7.658 -16.391 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.053 -15.925 -12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.394 -15.777 -13.898 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.936 -13.614 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.467 -13.627 -14.066 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.874 -12.325 -12.132 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.673 -13.054 -13.511 1.00 0.00 H new ATOM 552 N LEU A 35 -5.792 -14.811 -9.823 1.00 0.00 N ATOM 553 CA LEU A 35 -5.064 -14.964 -8.568 1.00 0.00 C ATOM 554 C LEU A 35 -5.882 -15.762 -7.558 1.00 0.00 C ATOM 555 O LEU A 35 -5.521 -16.881 -7.196 1.00 0.00 O ATOM 556 CB LEU A 35 -4.712 -13.593 -7.988 1.00 0.00 C ATOM 557 CG LEU A 35 -3.370 -13.005 -8.423 1.00 0.00 C ATOM 558 CD1 LEU A 35 -3.353 -12.764 -9.925 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.085 -11.713 -7.671 1.00 0.00 C ATOM 0 H LEU A 35 -5.939 -13.843 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.144 -15.510 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.500 -12.891 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.718 -13.668 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.586 -13.723 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.389 -12.345 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.511 -13.708 -10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.147 -12.066 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.126 -11.308 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.873 -10.989 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.052 -11.915 -6.600 1.00 0.00 H new ATOM 571 N GLY A 36 -6.989 -15.178 -7.108 1.00 0.00 N ATOM 572 CA GLY A 36 -7.843 -15.850 -6.145 1.00 0.00 C ATOM 573 C GLY A 36 -8.070 -15.022 -4.896 1.00 0.00 C ATOM 574 O GLY A 36 -8.268 -15.567 -3.809 1.00 0.00 O ATOM 0 H GLY A 36 -7.309 -14.252 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.804 -16.073 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.394 -16.804 -5.868 1.00 0.00 H new ATOM 578 N LEU A 37 -8.040 -13.703 -5.048 1.00 0.00 N ATOM 579 CA LEU A 37 -8.244 -12.798 -3.922 1.00 0.00 C ATOM 580 C LEU A 37 -9.241 -11.700 -4.279 1.00 0.00 C ATOM 581 O LEU A 37 -9.787 -11.679 -5.382 1.00 0.00 O ATOM 582 CB LEU A 37 -6.913 -12.175 -3.497 1.00 0.00 C ATOM 583 CG LEU A 37 -6.117 -12.946 -2.444 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.359 -14.098 -3.085 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.159 -12.017 -1.713 1.00 0.00 C ATOM 0 H LEU A 37 -7.876 -13.236 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.650 -13.376 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.289 -12.060 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.109 -11.174 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.817 -13.358 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.798 -14.635 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.065 -14.778 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.669 -13.708 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.601 -12.583 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.465 -11.575 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.724 -11.226 -1.220 1.00 0.00 H new ATOM 597 N SER A 38 -9.471 -10.789 -3.340 1.00 0.00 N ATOM 598 CA SER A 38 -10.404 -9.688 -3.554 1.00 0.00 C ATOM 599 C SER A 38 -9.658 -8.367 -3.714 1.00 0.00 C ATOM 600 O SER A 38 -8.651 -8.109 -3.054 1.00 0.00 O ATOM 601 CB SER A 38 -11.389 -9.592 -2.388 1.00 0.00 C ATOM 602 OG SER A 38 -12.432 -8.677 -2.676 1.00 0.00 O ATOM 0 H SER A 38 -9.024 -10.791 -2.423 1.00 0.00 H new ATOM 0 HA SER A 38 -10.957 -9.887 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.811 -10.576 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.862 -9.276 -1.488 1.00 0.00 H new ATOM 0 HG SER A 38 -13.049 -8.635 -1.916 1.00 0.00 H new ATOM 608 N PRO A 39 -10.162 -7.509 -4.613 1.00 0.00 N ATOM 609 CA PRO A 39 -9.560 -6.199 -4.882 1.00 0.00 C ATOM 610 C PRO A 39 -9.733 -5.232 -3.716 1.00 0.00 C ATOM 611 O PRO A 39 -8.835 -4.448 -3.408 1.00 0.00 O ATOM 612 CB PRO A 39 -10.329 -5.701 -6.108 1.00 0.00 C ATOM 613 CG PRO A 39 -11.640 -6.405 -6.046 1.00 0.00 C ATOM 614 CD PRO A 39 -11.359 -7.751 -5.436 1.00 0.00 C ATOM 0 HA PRO A 39 -8.483 -6.269 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.459 -4.619 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.797 -5.935 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.355 -5.845 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.074 -6.510 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.197 -8.102 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.176 -8.508 -6.199 1.00 0.00 H new ATOM 622 N LYS A 40 -10.892 -5.292 -3.070 1.00 0.00 N ATOM 623 CA LYS A 40 -11.183 -4.423 -1.936 1.00 0.00 C ATOM 624 C LYS A 40 -10.237 -4.710 -0.774 1.00 0.00 C ATOM 625 O LYS A 40 -9.789 -3.794 -0.083 1.00 0.00 O ATOM 626 CB LYS A 40 -12.633 -4.607 -1.484 1.00 0.00 C ATOM 627 CG LYS A 40 -12.894 -5.939 -0.803 1.00 0.00 C ATOM 628 CD LYS A 40 -12.678 -5.850 0.698 1.00 0.00 C ATOM 629 CE LYS A 40 -13.493 -6.897 1.442 1.00 0.00 C ATOM 630 NZ LYS A 40 -14.923 -6.501 1.566 1.00 0.00 N ATOM 0 H LYS A 40 -11.646 -5.934 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.037 -3.391 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.896 -3.801 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.289 -4.517 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.916 -6.258 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.234 -6.698 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.620 -5.984 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.955 -4.856 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.424 -7.850 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.070 -7.048 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.438 -7.224 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.989 -5.587 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.343 -6.415 0.618 1.00 0.00 H new ATOM 644 N LYS A 41 -9.936 -5.987 -0.564 1.00 0.00 N ATOM 645 CA LYS A 41 -9.041 -6.395 0.512 1.00 0.00 C ATOM 646 C LYS A 41 -7.624 -5.888 0.264 1.00 0.00 C ATOM 647 O LYS A 41 -6.987 -5.333 1.159 1.00 0.00 O ATOM 648 CB LYS A 41 -9.032 -7.920 0.645 1.00 0.00 C ATOM 649 CG LYS A 41 -10.269 -8.478 1.327 1.00 0.00 C ATOM 650 CD LYS A 41 -10.281 -8.153 2.812 1.00 0.00 C ATOM 651 CE LYS A 41 -9.489 -9.174 3.613 1.00 0.00 C ATOM 652 NZ LYS A 41 -10.287 -10.400 3.892 1.00 0.00 N ATOM 0 H LYS A 41 -10.299 -6.757 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.407 -5.957 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.944 -8.362 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.149 -8.222 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.162 -8.067 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.305 -9.559 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.862 -7.160 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.310 -8.126 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.587 -9.445 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.168 -8.728 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.712 -11.071 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.135 -10.145 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.572 -10.841 2.994 1.00 0.00 H new ATOM 666 N VAL A 42 -7.137 -6.080 -0.958 1.00 0.00 N ATOM 667 CA VAL A 42 -5.796 -5.640 -1.324 1.00 0.00 C ATOM 668 C VAL A 42 -5.712 -4.118 -1.373 1.00 0.00 C ATOM 669 O VAL A 42 -4.743 -3.525 -0.902 1.00 0.00 O ATOM 670 CB VAL A 42 -5.372 -6.210 -2.691 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.019 -5.652 -3.106 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.339 -7.731 -2.646 1.00 0.00 C ATOM 0 H VAL A 42 -7.651 -6.537 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.119 -6.015 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.107 -5.906 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.736 -6.066 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.080 -4.566 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.270 -5.924 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.038 -8.117 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.625 -8.057 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.330 -8.109 -2.397 1.00 0.00 H new ATOM 682 N GLY A 43 -6.735 -3.492 -1.947 1.00 0.00 N ATOM 683 CA GLY A 43 -6.757 -2.045 -2.046 1.00 0.00 C ATOM 684 C GLY A 43 -6.726 -1.370 -0.689 1.00 0.00 C ATOM 685 O GLY A 43 -5.983 -0.411 -0.482 1.00 0.00 O ATOM 0 H GLY A 43 -7.548 -3.961 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.902 -1.711 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.654 -1.734 -2.582 1.00 0.00 H new ATOM 689 N ASP A 44 -7.537 -1.870 0.237 1.00 0.00 N ATOM 690 CA ASP A 44 -7.600 -1.308 1.581 1.00 0.00 C ATOM 691 C ASP A 44 -6.263 -1.465 2.299 1.00 0.00 C ATOM 692 O ASP A 44 -5.828 -0.570 3.024 1.00 0.00 O ATOM 693 CB ASP A 44 -8.709 -1.986 2.388 1.00 0.00 C ATOM 694 CG ASP A 44 -8.587 -1.721 3.876 1.00 0.00 C ATOM 695 OD1 ASP A 44 -7.606 -2.198 4.485 1.00 0.00 O ATOM 696 OD2 ASP A 44 -9.471 -1.037 4.431 1.00 0.00 O ATOM 0 H ASP A 44 -8.160 -2.663 0.082 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.822 -0.244 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.678 -1.632 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.679 -3.061 2.210 1.00 0.00 H new ATOM 701 N ASP A 45 -5.618 -2.608 2.093 1.00 0.00 N ATOM 702 CA ASP A 45 -4.330 -2.882 2.721 1.00 0.00 C ATOM 703 C ASP A 45 -3.261 -1.922 2.209 1.00 0.00 C ATOM 704 O ASP A 45 -2.393 -1.485 2.964 1.00 0.00 O ATOM 705 CB ASP A 45 -3.906 -4.327 2.454 1.00 0.00 C ATOM 706 CG ASP A 45 -4.515 -5.301 3.444 1.00 0.00 C ATOM 707 OD1 ASP A 45 -5.735 -5.550 3.357 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.770 -5.814 4.306 1.00 0.00 O ATOM 0 H ASP A 45 -5.965 -3.359 1.497 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.439 -2.736 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.201 -4.608 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.819 -4.398 2.500 1.00 0.00 H new ATOM 713 N ILE A 46 -3.329 -1.601 0.921 1.00 0.00 N ATOM 714 CA ILE A 46 -2.367 -0.693 0.309 1.00 0.00 C ATOM 715 C ILE A 46 -2.540 0.728 0.835 1.00 0.00 C ATOM 716 O ILE A 46 -1.562 1.416 1.127 1.00 0.00 O ATOM 717 CB ILE A 46 -2.502 -0.681 -1.225 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.134 -2.049 -1.802 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.623 0.407 -1.825 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.658 -2.275 -3.203 1.00 0.00 C ATOM 0 H ILE A 46 -4.040 -1.956 0.282 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.375 -1.058 0.575 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.539 -0.467 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.049 -2.152 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.525 -2.828 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.729 0.403 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.928 1.378 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.582 0.220 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.359 -3.265 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.746 -2.205 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.247 -1.518 -3.872 1.00 0.00 H new ATOM 732 N ALA A 47 -3.791 1.160 0.955 1.00 0.00 N ATOM 733 CA ALA A 47 -4.092 2.498 1.450 1.00 0.00 C ATOM 734 C ALA A 47 -3.610 2.674 2.885 1.00 0.00 C ATOM 735 O ALA A 47 -3.085 3.726 3.251 1.00 0.00 O ATOM 736 CB ALA A 47 -5.586 2.771 1.355 1.00 0.00 C ATOM 0 H ALA A 47 -4.612 0.603 0.716 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.562 3.218 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.797 3.773 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.904 2.696 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.128 2.039 1.954 1.00 0.00 H new ATOM 742 N LYS A 48 -3.792 1.638 3.697 1.00 0.00 N ATOM 743 CA LYS A 48 -3.376 1.676 5.094 1.00 0.00 C ATOM 744 C LYS A 48 -1.862 1.823 5.206 1.00 0.00 C ATOM 745 O LYS A 48 -1.358 2.468 6.126 1.00 0.00 O ATOM 746 CB LYS A 48 -3.831 0.408 5.818 1.00 0.00 C ATOM 747 CG LYS A 48 -3.238 0.255 7.208 1.00 0.00 C ATOM 748 CD LYS A 48 -3.810 1.279 8.174 1.00 0.00 C ATOM 749 CE LYS A 48 -5.200 0.882 8.648 1.00 0.00 C ATOM 750 NZ LYS A 48 -5.158 -0.282 9.576 1.00 0.00 N ATOM 0 H LYS A 48 -4.226 0.760 3.411 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.844 2.542 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.918 0.414 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.558 -0.460 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.437 -0.750 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.155 0.367 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.147 1.381 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.855 2.254 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.669 1.729 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.821 0.637 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.063 -0.354 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.995 -1.154 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.387 -0.152 10.261 1.00 0.00 H new ATOM 764 N ALA A 49 -1.142 1.223 4.264 1.00 0.00 N ATOM 765 CA ALA A 49 0.314 1.291 4.256 1.00 0.00 C ATOM 766 C ALA A 49 0.797 2.664 3.804 1.00 0.00 C ATOM 767 O ALA A 49 1.852 3.136 4.232 1.00 0.00 O ATOM 768 CB ALA A 49 0.888 0.205 3.358 1.00 0.00 C ATOM 0 H ALA A 49 -1.543 0.684 3.496 1.00 0.00 H new ATOM 0 HA ALA A 49 0.666 1.129 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.976 0.268 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.580 -0.773 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.520 0.342 2.341 1.00 0.00 H new ATOM 774 N THR A 50 0.020 3.304 2.935 1.00 0.00 N ATOM 775 CA THR A 50 0.370 4.623 2.424 1.00 0.00 C ATOM 776 C THR A 50 -0.182 5.725 3.320 1.00 0.00 C ATOM 777 O THR A 50 -0.386 6.855 2.878 1.00 0.00 O ATOM 778 CB THR A 50 -0.159 4.828 0.992 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.589 4.749 0.982 1.00 0.00 O ATOM 780 CG2 THR A 50 0.418 3.786 0.046 1.00 0.00 C ATOM 0 H THR A 50 -0.856 2.930 2.571 1.00 0.00 H new ATOM 0 HA THR A 50 1.458 4.679 2.414 1.00 0.00 H new ATOM 0 HB THR A 50 0.153 5.816 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.906 4.454 1.861 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.029 3.952 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.505 3.869 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.134 2.790 0.385 1.00 0.00 H new ATOM 788 N GLY A 51 -0.422 5.389 4.584 1.00 0.00 N ATOM 789 CA GLY A 51 -0.948 6.362 5.524 1.00 0.00 C ATOM 790 C GLY A 51 0.119 7.310 6.035 1.00 0.00 C ATOM 791 O GLY A 51 -0.192 8.384 6.551 1.00 0.00 O ATOM 0 H GLY A 51 -0.262 4.460 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.740 6.936 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.400 5.840 6.367 1.00 0.00 H new ATOM 795 N ASP A 52 1.378 6.912 5.893 1.00 0.00 N ATOM 796 CA ASP A 52 2.495 7.734 6.345 1.00 0.00 C ATOM 797 C ASP A 52 2.832 8.807 5.314 1.00 0.00 C ATOM 798 O ASP A 52 3.475 9.807 5.632 1.00 0.00 O ATOM 799 CB ASP A 52 3.722 6.862 6.612 1.00 0.00 C ATOM 800 CG ASP A 52 3.702 6.242 7.996 1.00 0.00 C ATOM 801 OD1 ASP A 52 3.203 6.899 8.933 1.00 0.00 O ATOM 802 OD2 ASP A 52 4.185 5.099 8.141 1.00 0.00 O ATOM 0 H ASP A 52 1.651 6.026 5.469 1.00 0.00 H new ATOM 0 HA ASP A 52 2.200 8.226 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.772 6.071 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.624 7.464 6.500 1.00 0.00 H new ATOM 807 N TRP A 53 2.396 8.590 4.078 1.00 0.00 N ATOM 808 CA TRP A 53 2.653 9.538 3.000 1.00 0.00 C ATOM 809 C TRP A 53 1.380 9.823 2.211 1.00 0.00 C ATOM 810 O TRP A 53 1.360 9.715 0.985 1.00 0.00 O ATOM 811 CB TRP A 53 3.736 8.997 2.066 1.00 0.00 C ATOM 812 CG TRP A 53 3.758 7.501 1.984 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.133 6.722 1.053 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.437 6.604 2.870 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.383 5.395 1.306 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.181 5.296 2.415 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.238 6.779 4.001 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.697 4.172 3.054 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.749 5.662 4.635 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.478 4.372 4.159 1.00 0.00 C ATOM 0 H TRP A 53 1.863 7.767 3.798 1.00 0.00 H new ATOM 0 HA TRP A 53 2.999 10.471 3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.582 9.406 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.709 9.349 2.408 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.531 7.094 0.238 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.031 4.611 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.454 7.769 4.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.488 3.177 2.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.367 5.785 5.512 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.894 3.519 4.675 1.00 0.00 H new ATOM 831 N LYS A 54 0.318 10.188 2.921 1.00 0.00 N ATOM 832 CA LYS A 54 -0.960 10.491 2.288 1.00 0.00 C ATOM 833 C LYS A 54 -0.865 11.764 1.452 1.00 0.00 C ATOM 834 O LYS A 54 -1.117 12.862 1.946 1.00 0.00 O ATOM 835 CB LYS A 54 -2.054 10.643 3.346 1.00 0.00 C ATOM 836 CG LYS A 54 -2.766 9.343 3.678 1.00 0.00 C ATOM 837 CD LYS A 54 -4.107 9.595 4.345 1.00 0.00 C ATOM 838 CE LYS A 54 -5.204 9.834 3.319 1.00 0.00 C ATOM 839 NZ LYS A 54 -6.501 10.183 3.963 1.00 0.00 N ATOM 0 H LYS A 54 0.317 10.281 3.937 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.215 9.662 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.613 11.048 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.787 11.370 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.916 8.766 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.139 8.742 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.371 8.741 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.030 10.459 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.904 10.639 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.331 8.940 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.222 10.338 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.801 9.405 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.387 11.050 4.525 1.00 0.00 H new ATOM 853 N GLY A 55 -0.502 11.607 0.183 1.00 0.00 N ATOM 854 CA GLY A 55 -0.382 12.752 -0.701 1.00 0.00 C ATOM 855 C GLY A 55 0.851 12.680 -1.579 1.00 0.00 C ATOM 856 O GLY A 55 0.945 13.380 -2.589 1.00 0.00 O ATOM 0 H GLY A 55 -0.289 10.708 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.269 12.815 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.348 13.665 -0.106 1.00 0.00 H new ATOM 860 N LEU A 56 1.800 11.834 -1.195 1.00 0.00 N ATOM 861 CA LEU A 56 3.036 11.674 -1.954 1.00 0.00 C ATOM 862 C LEU A 56 2.963 10.449 -2.861 1.00 0.00 C ATOM 863 O LEU A 56 2.235 9.498 -2.577 1.00 0.00 O ATOM 864 CB LEU A 56 4.228 11.550 -1.005 1.00 0.00 C ATOM 865 CG LEU A 56 4.405 12.687 0.003 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.471 12.500 1.188 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.852 12.766 0.469 1.00 0.00 C ATOM 0 H LEU A 56 1.738 11.248 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 56 3.167 12.558 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.132 10.614 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.137 11.476 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 56 4.151 13.626 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.611 13.318 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.438 12.494 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.693 11.553 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.960 13.580 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.133 11.826 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.501 12.949 -0.388 1.00 0.00 H new ATOM 879 N ARG A 57 3.724 10.480 -3.950 1.00 0.00 N ATOM 880 CA ARG A 57 3.746 9.372 -4.897 1.00 0.00 C ATOM 881 C ARG A 57 4.950 8.468 -4.648 1.00 0.00 C ATOM 882 O ARG A 57 6.094 8.923 -4.660 1.00 0.00 O ATOM 883 CB ARG A 57 3.781 9.900 -6.332 1.00 0.00 C ATOM 884 CG ARG A 57 2.403 10.113 -6.936 1.00 0.00 C ATOM 885 CD ARG A 57 1.621 11.176 -6.180 1.00 0.00 C ATOM 886 NE ARG A 57 1.883 12.517 -6.695 1.00 0.00 N ATOM 887 CZ ARG A 57 1.099 13.563 -6.455 1.00 0.00 C ATOM 888 NH1 ARG A 57 0.011 13.422 -5.711 1.00 0.00 N ATOM 889 NH2 ARG A 57 1.403 14.752 -6.959 1.00 0.00 N ATOM 0 H ARG A 57 4.333 11.260 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 57 2.837 8.787 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.326 10.844 -6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.337 9.199 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.504 10.408 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.850 9.174 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.555 10.962 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.883 11.136 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 57 2.713 12.659 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.226 12.510 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.589 14.226 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.240 14.864 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.800 15.554 -6.774 1.00 0.00 H new ATOM 903 N ILE A 58 4.684 7.186 -4.421 1.00 0.00 N ATOM 904 CA ILE A 58 5.745 6.218 -4.169 1.00 0.00 C ATOM 905 C ILE A 58 5.459 4.894 -4.869 1.00 0.00 C ATOM 906 O ILE A 58 4.311 4.582 -5.189 1.00 0.00 O ATOM 907 CB ILE A 58 5.925 5.960 -2.661 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.829 5.025 -2.147 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.911 7.274 -1.894 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.431 5.569 -2.340 1.00 0.00 C ATOM 0 H ILE A 58 3.743 6.793 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 58 6.664 6.646 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 58 6.890 5.479 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.911 4.066 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.993 4.835 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.039 7.076 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.724 7.909 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.959 7.780 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.706 4.854 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.331 6.513 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.248 5.733 -3.402 1.00 0.00 H new ATOM 922 N THR A 59 6.511 4.117 -5.105 1.00 0.00 N ATOM 923 CA THR A 59 6.374 2.825 -5.767 1.00 0.00 C ATOM 924 C THR A 59 6.203 1.702 -4.750 1.00 0.00 C ATOM 925 O THR A 59 7.011 1.553 -3.833 1.00 0.00 O ATOM 926 CB THR A 59 7.594 2.517 -6.655 1.00 0.00 C ATOM 927 OG1 THR A 59 7.696 3.489 -7.702 1.00 0.00 O ATOM 928 CG2 THR A 59 7.487 1.125 -7.258 1.00 0.00 C ATOM 0 H THR A 59 7.468 4.360 -4.848 1.00 0.00 H new ATOM 0 HA THR A 59 5.484 2.883 -6.393 1.00 0.00 H new ATOM 0 HB THR A 59 8.488 2.558 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.475 3.287 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.360 0.930 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.439 0.385 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.585 1.061 -7.867 1.00 0.00 H new ATOM 936 N VAL A 60 5.147 0.913 -4.919 1.00 0.00 N ATOM 937 CA VAL A 60 4.871 -0.199 -4.018 1.00 0.00 C ATOM 938 C VAL A 60 5.004 -1.536 -4.737 1.00 0.00 C ATOM 939 O VAL A 60 4.452 -1.729 -5.821 1.00 0.00 O ATOM 940 CB VAL A 60 3.459 -0.093 -3.411 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.208 -1.236 -2.440 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.275 1.252 -2.723 1.00 0.00 C ATOM 0 H VAL A 60 4.468 1.024 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 60 5.608 -0.146 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 60 2.729 -0.166 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.206 -1.144 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.296 -2.186 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.942 -1.198 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.272 1.310 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.012 1.357 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.409 2.054 -3.449 1.00 0.00 H new ATOM 952 N LYS A 61 5.739 -2.460 -4.127 1.00 0.00 N ATOM 953 CA LYS A 61 5.944 -3.782 -4.707 1.00 0.00 C ATOM 954 C LYS A 61 5.074 -4.823 -4.010 1.00 0.00 C ATOM 955 O LYS A 61 5.257 -5.106 -2.825 1.00 0.00 O ATOM 956 CB LYS A 61 7.418 -4.183 -4.607 1.00 0.00 C ATOM 957 CG LYS A 61 7.778 -5.393 -5.450 1.00 0.00 C ATOM 958 CD LYS A 61 9.042 -6.068 -4.946 1.00 0.00 C ATOM 959 CE LYS A 61 8.731 -7.116 -3.889 1.00 0.00 C ATOM 960 NZ LYS A 61 9.884 -7.339 -2.973 1.00 0.00 N ATOM 0 H LYS A 61 6.203 -2.317 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 61 5.656 -3.739 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.037 -3.340 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.659 -4.392 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.953 -6.106 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.917 -5.087 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.564 -6.536 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.715 -5.318 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.863 -6.801 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.467 -8.055 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.632 -8.060 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.706 -7.664 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.120 -6.449 -2.490 1.00 0.00 H new ATOM 974 N LEU A 62 4.130 -5.391 -4.752 1.00 0.00 N ATOM 975 CA LEU A 62 3.232 -6.402 -4.205 1.00 0.00 C ATOM 976 C LEU A 62 3.552 -7.780 -4.776 1.00 0.00 C ATOM 977 O LEU A 62 3.421 -8.012 -5.979 1.00 0.00 O ATOM 978 CB LEU A 62 1.778 -6.038 -4.506 1.00 0.00 C ATOM 979 CG LEU A 62 1.404 -4.566 -4.330 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.025 -4.319 -4.789 1.00 0.00 C ATOM 981 CD2 LEU A 62 1.581 -4.140 -2.880 1.00 0.00 C ATOM 0 H LEU A 62 3.966 -5.169 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 62 3.375 -6.434 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.557 -6.328 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.134 -6.635 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 62 2.071 -3.966 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.273 -3.266 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.120 -4.584 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.708 -4.930 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.310 -3.090 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.939 -4.747 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.621 -4.278 -2.585 1.00 0.00 H new ATOM 993 N THR A 63 3.970 -8.694 -3.906 1.00 0.00 N ATOM 994 CA THR A 63 4.308 -10.049 -4.323 1.00 0.00 C ATOM 995 C THR A 63 3.355 -11.067 -3.707 1.00 0.00 C ATOM 996 O THR A 63 3.317 -11.236 -2.488 1.00 0.00 O ATOM 997 CB THR A 63 5.753 -10.413 -3.933 1.00 0.00 C ATOM 998 OG1 THR A 63 6.677 -9.579 -4.642 1.00 0.00 O ATOM 999 CG2 THR A 63 6.044 -11.875 -4.239 1.00 0.00 C ATOM 0 H THR A 63 4.083 -8.520 -2.907 1.00 0.00 H new ATOM 0 HA THR A 63 4.215 -10.078 -5.409 1.00 0.00 H new ATOM 0 HB THR A 63 5.868 -10.252 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.188 -8.861 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.070 -12.109 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.358 -12.508 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.912 -12.057 -5.306 1.00 0.00 H new ATOM 1007 N ILE A 64 2.589 -11.743 -4.556 1.00 0.00 N ATOM 1008 CA ILE A 64 1.637 -12.746 -4.094 1.00 0.00 C ATOM 1009 C ILE A 64 2.152 -14.156 -4.363 1.00 0.00 C ATOM 1010 O ILE A 64 2.418 -14.522 -5.507 1.00 0.00 O ATOM 1011 CB ILE A 64 0.265 -12.574 -4.772 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.469 -11.365 -4.188 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.568 -13.836 -4.608 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.451 -10.227 -3.806 1.00 0.00 C ATOM 0 H ILE A 64 2.609 -11.615 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 64 1.522 -12.602 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 64 0.421 -12.401 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.196 -11.005 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.029 -11.680 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.535 -13.699 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.048 -14.677 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.719 -14.037 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.137 -9.404 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.162 -10.571 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.992 -9.885 -4.688 1.00 0.00 H new ATOM 1026 N GLN A 65 2.287 -14.943 -3.300 1.00 0.00 N ATOM 1027 CA GLN A 65 2.768 -16.314 -3.422 1.00 0.00 C ATOM 1028 C GLN A 65 2.112 -17.216 -2.382 1.00 0.00 C ATOM 1029 O GLN A 65 2.121 -16.913 -1.189 1.00 0.00 O ATOM 1030 CB GLN A 65 4.289 -16.358 -3.266 1.00 0.00 C ATOM 1031 CG GLN A 65 4.943 -17.513 -4.007 1.00 0.00 C ATOM 1032 CD GLN A 65 4.376 -17.709 -5.399 1.00 0.00 C ATOM 1033 OE1 GLN A 65 3.524 -18.570 -5.620 1.00 0.00 O ATOM 1034 NE2 GLN A 65 4.848 -16.909 -6.348 1.00 0.00 N ATOM 0 H GLN A 65 2.070 -14.655 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 65 2.500 -16.680 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.710 -15.420 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.535 -16.431 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.016 -17.333 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.811 -18.430 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.554 -16.209 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.504 -16.995 -7.305 1.00 0.00 H new ATOM 1043 N ASN A 66 1.542 -18.325 -2.842 1.00 0.00 N ATOM 1044 CA ASN A 66 0.880 -19.270 -1.951 1.00 0.00 C ATOM 1045 C ASN A 66 -0.405 -18.674 -1.383 1.00 0.00 C ATOM 1046 O ASN A 66 -0.720 -18.859 -0.207 1.00 0.00 O ATOM 1047 CB ASN A 66 1.817 -19.671 -0.810 1.00 0.00 C ATOM 1048 CG ASN A 66 1.548 -21.076 -0.307 1.00 0.00 C ATOM 1049 OD1 ASN A 66 0.708 -21.792 -0.852 1.00 0.00 O ATOM 1050 ND2 ASN A 66 2.261 -21.476 0.740 1.00 0.00 N ATOM 0 H ASN A 66 1.525 -18.591 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 66 0.623 -20.157 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.850 -19.602 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.705 -18.966 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.123 -22.411 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.947 -20.848 1.160 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.143 -17.960 -2.226 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.393 -17.336 -1.809 1.00 0.00 C ATOM 1059 C ARG A 67 -2.142 -16.286 -0.730 1.00 0.00 C ATOM 1060 O ARG A 67 -3.016 -16.004 0.089 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.366 -18.395 -1.288 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.766 -19.422 -2.335 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.096 -20.076 -1.994 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.211 -21.414 -2.567 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.345 -22.105 -2.598 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.456 -21.587 -2.093 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.370 -23.318 -3.136 1.00 0.00 N ATOM 0 H ARG A 67 -0.897 -17.799 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.832 -16.843 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.911 -18.910 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.263 -17.900 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.835 -18.941 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.992 -20.186 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.204 -20.135 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.911 -19.453 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.375 -21.841 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.442 -20.655 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.325 -22.121 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.518 -23.721 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.241 -23.848 -3.159 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.944 -15.712 -0.738 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.579 -14.694 0.240 1.00 0.00 C ATOM 1083 C GLN A 68 -0.324 -13.352 -0.439 1.00 0.00 C ATOM 1084 O GLN A 68 -0.054 -13.294 -1.638 1.00 0.00 O ATOM 1085 CB GLN A 68 0.663 -15.128 1.020 1.00 0.00 C ATOM 1086 CG GLN A 68 0.784 -14.472 2.386 1.00 0.00 C ATOM 1087 CD GLN A 68 1.530 -13.153 2.336 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.428 -12.965 1.515 1.00 0.00 O ATOM 1089 NE2 GLN A 68 1.161 -12.230 3.216 1.00 0.00 N ATOM 0 H GLN A 68 -0.210 -15.934 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.412 -14.577 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.642 -16.210 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.551 -14.893 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.213 -14.306 2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.299 -15.151 3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.411 -12.428 3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.627 -11.323 3.229 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.413 -12.276 0.335 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.190 -10.935 -0.192 1.00 0.00 C ATOM 1100 C ALA A 69 0.794 -10.160 0.678 1.00 0.00 C ATOM 1101 O ALA A 69 0.645 -10.101 1.898 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.509 -10.184 -0.297 1.00 0.00 C ATOM 0 H ALA A 69 -0.638 -12.306 1.329 1.00 0.00 H new ATOM 0 HA ALA A 69 0.242 -11.030 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.328 -9.184 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.182 -10.722 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.964 -10.107 0.691 1.00 0.00 H new ATOM 1108 N GLN A 70 1.800 -9.568 0.041 1.00 0.00 N ATOM 1109 CA GLN A 70 2.809 -8.798 0.758 1.00 0.00 C ATOM 1110 C GLN A 70 2.973 -7.411 0.145 1.00 0.00 C ATOM 1111 O GLN A 70 3.115 -7.272 -1.070 1.00 0.00 O ATOM 1112 CB GLN A 70 4.149 -9.536 0.744 1.00 0.00 C ATOM 1113 CG GLN A 70 5.185 -8.934 1.680 1.00 0.00 C ATOM 1114 CD GLN A 70 6.433 -9.787 1.795 1.00 0.00 C ATOM 1115 OE1 GLN A 70 7.438 -9.530 1.132 1.00 0.00 O ATOM 1116 NE2 GLN A 70 6.376 -10.809 2.640 1.00 0.00 N ATOM 0 H GLN A 70 1.937 -9.607 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 70 2.476 -8.682 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.984 -10.577 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.545 -9.534 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.459 -7.942 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.745 -8.806 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.522 -10.986 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.186 -11.418 2.760 1.00 0.00 H new ATOM 1125 N ILE A 71 2.950 -6.389 0.993 1.00 0.00 N ATOM 1126 CA ILE A 71 3.097 -5.013 0.534 1.00 0.00 C ATOM 1127 C ILE A 71 4.374 -4.384 1.082 1.00 0.00 C ATOM 1128 O ILE A 71 4.678 -4.506 2.267 1.00 0.00 O ATOM 1129 CB ILE A 71 1.892 -4.149 0.952 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.583 -4.857 0.601 1.00 0.00 C ATOM 1131 CG2 ILE A 71 1.960 -2.785 0.280 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.613 -4.330 1.363 1.00 0.00 C ATOM 0 H ILE A 71 2.831 -6.487 2.001 1.00 0.00 H new ATOM 0 HA ILE A 71 3.150 -5.047 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 71 1.925 -4.003 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.398 -4.751 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.691 -5.923 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.102 -2.186 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.879 -2.279 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.948 -2.912 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.506 -4.878 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.449 -4.460 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.747 -3.271 1.143 1.00 0.00 H new ATOM 1144 N GLU A 72 5.116 -3.709 0.209 1.00 0.00 N ATOM 1145 CA GLU A 72 6.359 -3.059 0.606 1.00 0.00 C ATOM 1146 C GLU A 72 6.640 -1.841 -0.269 1.00 0.00 C ATOM 1147 O GLU A 72 6.342 -1.838 -1.463 1.00 0.00 O ATOM 1148 CB GLU A 72 7.526 -4.045 0.517 1.00 0.00 C ATOM 1149 CG GLU A 72 8.054 -4.237 -0.895 1.00 0.00 C ATOM 1150 CD GLU A 72 9.153 -3.253 -1.246 1.00 0.00 C ATOM 1151 OE1 GLU A 72 10.321 -3.517 -0.892 1.00 0.00 O ATOM 1152 OE2 GLU A 72 8.844 -2.220 -1.875 1.00 0.00 O ATOM 0 H GLU A 72 4.878 -3.598 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 72 6.252 -2.726 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.337 -3.693 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.206 -5.010 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.434 -5.253 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.233 -4.127 -1.604 1.00 0.00 H new ATOM 1159 N VAL A 73 7.216 -0.806 0.335 1.00 0.00 N ATOM 1160 CA VAL A 73 7.538 0.418 -0.388 1.00 0.00 C ATOM 1161 C VAL A 73 9.043 0.554 -0.596 1.00 0.00 C ATOM 1162 O VAL A 73 9.828 0.378 0.336 1.00 0.00 O ATOM 1163 CB VAL A 73 7.020 1.663 0.357 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.376 2.929 -0.406 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.518 1.566 0.575 1.00 0.00 C ATOM 0 H VAL A 73 7.469 -0.791 1.323 1.00 0.00 H new ATOM 0 HA VAL A 73 7.044 0.352 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 73 7.504 1.708 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.002 3.798 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.459 3.002 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.923 2.896 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.169 2.454 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.014 1.495 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.293 0.680 1.168 1.00 0.00 H new ATOM 1175 N VAL A 74 9.438 0.868 -1.826 1.00 0.00 N ATOM 1176 CA VAL A 74 10.849 1.029 -2.157 1.00 0.00 C ATOM 1177 C VAL A 74 11.352 2.412 -1.759 1.00 0.00 C ATOM 1178 O VAL A 74 10.618 3.400 -1.787 1.00 0.00 O ATOM 1179 CB VAL A 74 11.100 0.817 -3.662 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.698 -0.590 -4.077 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.349 1.858 -4.479 1.00 0.00 C ATOM 0 H VAL A 74 8.801 1.016 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 74 11.395 0.271 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 74 12.166 0.937 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.882 -0.722 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.285 -1.317 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.638 -0.741 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.538 1.693 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.280 1.773 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.690 2.855 -4.200 1.00 0.00 H new ATOM 1191 N PRO A 75 12.637 2.488 -1.379 1.00 0.00 N ATOM 1192 CA PRO A 75 13.268 3.745 -0.969 1.00 0.00 C ATOM 1193 C PRO A 75 13.455 4.708 -2.137 1.00 0.00 C ATOM 1194 O PRO A 75 13.345 4.318 -3.299 1.00 0.00 O ATOM 1195 CB PRO A 75 14.626 3.298 -0.422 1.00 0.00 C ATOM 1196 CG PRO A 75 14.907 2.009 -1.113 1.00 0.00 C ATOM 1197 CD PRO A 75 13.571 1.351 -1.322 1.00 0.00 C ATOM 0 HA PRO A 75 12.660 4.290 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.400 4.036 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.594 3.168 0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.412 2.178 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.563 1.379 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.550 0.767 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.326 0.670 -0.507 1.00 0.00 H new