USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 17:sc= 0.532 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -124:sc= -8.89! (180deg=-13.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.619 (180deg=-1.89!) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.195) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -3.76 F(o=-4.3!,f=-3.8) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0461 (180deg=-0.294) USER MOD Single : A 50 TYR OH : rot 104:sc= 0.23 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.188) USER MOD Single : A 56 SER OG : rot 180:sc= -0.343 USER MOD Single : A 64 TYR OH : rot 156:sc= 1.3 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.42 F(o=-4.1!,f=-1.4) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.064 2.652 -4.326 1.00 0.00 N ATOM 61 CA ILE A 5 59.526 2.492 -4.377 1.00 0.00 C ATOM 62 C ILE A 5 59.888 1.222 -5.170 1.00 0.00 C ATOM 63 O ILE A 5 59.029 0.393 -5.428 1.00 0.00 O ATOM 64 CB ILE A 5 60.104 2.487 -2.940 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.651 3.862 -2.559 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.110 1.379 -2.661 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.655 3.820 -1.415 1.00 0.00 C ATOM 0 HA ILE A 5 59.977 3.334 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 5 59.258 2.258 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 5 61.125 4.310 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.820 4.510 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.459 1.456 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.635 0.410 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.957 1.477 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 5 62.002 4.830 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.179 3.401 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.504 3.198 -1.699 1.00 0.00 H new ATOM 79 N THR A 6 61.189 1.136 -5.512 1.00 0.00 N ATOM 80 CA THR A 6 61.755 -0.061 -6.143 1.00 0.00 C ATOM 81 C THR A 6 63.137 -0.302 -5.519 1.00 0.00 C ATOM 82 O THR A 6 64.004 0.558 -5.592 1.00 0.00 O ATOM 83 CB THR A 6 61.834 0.175 -7.653 1.00 0.00 C ATOM 84 OG1 THR A 6 60.539 0.397 -8.148 1.00 0.00 O ATOM 85 CG2 THR A 6 62.439 -1.007 -8.428 1.00 0.00 C ATOM 0 H THR A 6 61.864 1.885 -5.359 1.00 0.00 H new ATOM 0 HA THR A 6 61.140 -0.946 -5.980 1.00 0.00 H new ATOM 0 HB THR A 6 62.487 1.035 -7.799 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.580 0.551 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.464 -0.770 -9.492 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.453 -1.194 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.830 -1.897 -8.269 1.00 0.00 H new ATOM 93 N LEU A 7 63.305 -1.490 -4.901 1.00 0.00 N ATOM 94 CA LEU A 7 64.597 -1.856 -4.303 1.00 0.00 C ATOM 95 C LEU A 7 65.190 -3.028 -5.074 1.00 0.00 C ATOM 96 O LEU A 7 64.547 -3.633 -5.928 1.00 0.00 O ATOM 97 CB LEU A 7 64.454 -2.233 -2.827 1.00 0.00 C ATOM 98 CG LEU A 7 63.639 -1.246 -2.002 1.00 0.00 C ATOM 99 CD1 LEU A 7 63.953 0.220 -2.179 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.163 -1.529 -2.106 1.00 0.00 C ATOM 0 H LEU A 7 62.576 -2.197 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 7 65.256 -0.990 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 63.988 -3.216 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.448 -2.320 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 7 63.971 -1.435 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.302 0.812 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 7 64.993 0.404 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.790 0.504 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.611 -0.806 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.850 -1.450 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 7 61.959 -2.536 -1.741 1.00 0.00 H new ATOM 112 N LYS A 8 66.459 -3.307 -4.707 1.00 0.00 N ATOM 113 CA LYS A 8 67.165 -4.412 -5.343 1.00 0.00 C ATOM 114 C LYS A 8 68.387 -4.762 -4.508 1.00 0.00 C ATOM 115 O LYS A 8 69.271 -3.940 -4.332 1.00 0.00 O ATOM 116 CB LYS A 8 67.634 -3.969 -6.730 1.00 0.00 C ATOM 117 CG LYS A 8 68.101 -5.129 -7.621 1.00 0.00 C ATOM 118 CD LYS A 8 68.113 -4.769 -9.115 1.00 0.00 C ATOM 119 CE LYS A 8 69.450 -4.967 -9.827 1.00 0.00 C ATOM 120 NZ LYS A 8 69.338 -6.017 -10.834 1.00 0.00 N ATOM 0 H LYS A 8 66.989 -2.798 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 8 66.505 -5.275 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 8 66.820 -3.444 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.451 -3.257 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.103 -5.433 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.447 -5.987 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.358 -5.370 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.815 -3.726 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.760 -4.034 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.220 -5.230 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.254 -6.141 -11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.062 -6.909 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.617 -5.751 -11.535 1.00 0.00 H new ATOM 218 N THR A 14 64.937 -8.271 -6.831 1.00 0.00 N ATOM 219 CA THR A 14 64.449 -6.945 -7.218 1.00 0.00 C ATOM 220 C THR A 14 62.933 -6.884 -6.973 1.00 0.00 C ATOM 221 O THR A 14 62.166 -7.658 -7.536 1.00 0.00 O ATOM 222 CB THR A 14 64.741 -6.671 -8.708 1.00 0.00 C ATOM 223 OG1 THR A 14 65.887 -7.358 -9.150 1.00 0.00 O ATOM 224 CG2 THR A 14 64.898 -5.171 -8.976 1.00 0.00 C ATOM 0 HA THR A 14 64.959 -6.189 -6.622 1.00 0.00 H new ATOM 0 HB THR A 14 63.883 -7.041 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 14 66.111 -8.066 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.103 -5.010 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.978 -4.654 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.725 -4.780 -8.383 1.00 0.00 H new ATOM 232 N PHE A 15 62.559 -5.917 -6.111 1.00 0.00 N ATOM 233 CA PHE A 15 61.158 -5.734 -5.725 1.00 0.00 C ATOM 234 C PHE A 15 60.885 -4.233 -5.574 1.00 0.00 C ATOM 235 O PHE A 15 61.662 -3.400 -6.021 1.00 0.00 O ATOM 236 CB PHE A 15 60.877 -6.536 -4.443 1.00 0.00 C ATOM 237 CG PHE A 15 62.037 -6.519 -3.487 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.177 -5.496 -2.556 1.00 0.00 C ATOM 239 CD2 PHE A 15 62.972 -7.553 -3.506 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.218 -5.522 -1.640 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.016 -7.575 -2.594 1.00 0.00 C ATOM 242 CZ PHE A 15 64.134 -6.559 -1.659 1.00 0.00 C ATOM 0 H PHE A 15 63.206 -5.259 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 15 60.478 -6.114 -6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 15 59.996 -6.127 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.643 -7.567 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.472 -4.678 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.882 -8.343 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.314 -4.731 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.735 -8.381 -2.612 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.943 -6.577 -0.943 1.00 0.00 H new ATOM 252 N LYS A 16 59.722 -3.964 -4.946 1.00 0.00 N ATOM 253 CA LYS A 16 59.230 -2.603 -4.767 1.00 0.00 C ATOM 254 C LYS A 16 58.359 -2.565 -3.519 1.00 0.00 C ATOM 255 O LYS A 16 57.828 -3.575 -3.069 1.00 0.00 O ATOM 256 CB LYS A 16 58.436 -2.149 -6.006 1.00 0.00 C ATOM 257 CG LYS A 16 57.839 -3.268 -6.848 1.00 0.00 C ATOM 258 CD LYS A 16 57.091 -2.696 -8.051 1.00 0.00 C ATOM 259 CE LYS A 16 56.322 -3.787 -8.786 1.00 0.00 C ATOM 260 NZ LYS A 16 55.347 -3.233 -9.718 1.00 0.00 N ATOM 0 H LYS A 16 59.111 -4.682 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 16 60.069 -1.917 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.629 -1.494 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.093 -1.553 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.630 -3.936 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.159 -3.864 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.401 -1.920 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.798 -2.223 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 16 57.022 -4.422 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 55.812 -4.422 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 54.846 -4.008 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.663 -2.648 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 55.836 -2.648 -10.425 1.00 0.00 H new ATOM 274 N ILE A 17 58.279 -1.333 -2.968 1.00 0.00 N ATOM 275 CA ILE A 17 57.564 -1.148 -1.714 1.00 0.00 C ATOM 276 C ILE A 17 56.866 0.189 -1.791 1.00 0.00 C ATOM 277 O ILE A 17 57.534 1.207 -1.720 1.00 0.00 O ATOM 278 CB ILE A 17 58.543 -1.086 -0.533 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.604 -2.190 -0.580 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.789 -1.078 0.799 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.186 -3.538 -0.022 1.00 0.00 C ATOM 0 H ILE A 17 58.689 -0.488 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 17 56.872 -1.977 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 17 59.087 -0.146 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.911 -2.328 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.481 -1.848 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.503 -1.034 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 17 57.133 -0.208 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.193 -1.986 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 17 60.015 -4.240 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.910 -3.428 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.332 -3.915 -0.584 1.00 0.00 H new ATOM 293 N ARG A 18 55.524 0.147 -1.905 1.00 0.00 N ATOM 294 CA ARG A 18 54.701 1.365 -1.942 1.00 0.00 C ATOM 295 C ARG A 18 55.366 2.566 -1.271 1.00 0.00 C ATOM 296 O ARG A 18 55.893 3.442 -1.952 1.00 0.00 O ATOM 297 CB ARG A 18 53.338 1.077 -1.342 1.00 0.00 C ATOM 298 CG ARG A 18 52.458 2.327 -1.100 1.00 0.00 C ATOM 299 CD ARG A 18 51.052 2.016 -0.574 1.00 0.00 C ATOM 300 NE ARG A 18 51.009 0.738 0.135 1.00 0.00 N ATOM 301 CZ ARG A 18 50.822 -0.438 -0.511 1.00 0.00 C ATOM 302 NH1 ARG A 18 50.612 -0.480 -1.827 1.00 0.00 N ATOM 303 NH2 ARG A 18 50.875 -1.577 0.172 1.00 0.00 N ATOM 0 H ARG A 18 54.990 -0.719 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 18 54.584 1.648 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.802 0.395 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.476 0.558 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.963 2.980 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 52.369 2.881 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.729 2.814 0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.349 1.994 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 18 51.123 0.732 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 50.590 0.385 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.474 -1.377 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.055 -1.562 1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.735 -2.466 -0.308 1.00 0.00 H new ATOM 317 N MET A 19 55.331 2.506 0.080 1.00 0.00 N ATOM 318 CA MET A 19 55.908 3.518 0.963 1.00 0.00 C ATOM 319 C MET A 19 55.713 4.940 0.435 1.00 0.00 C ATOM 320 O MET A 19 54.833 5.186 -0.383 1.00 0.00 O ATOM 321 CB MET A 19 57.369 3.180 1.222 1.00 0.00 C ATOM 322 CG MET A 19 58.349 3.512 0.071 1.00 0.00 C ATOM 323 SD MET A 19 59.387 4.922 0.460 1.00 0.00 S ATOM 324 CE MET A 19 60.037 4.295 2.004 1.00 0.00 C ATOM 0 H MET A 19 54.892 1.736 0.585 1.00 0.00 H new ATOM 0 HA MET A 19 55.374 3.499 1.913 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.693 3.713 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.443 2.115 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 19 58.977 2.645 -0.132 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.784 3.717 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 19 59.831 5.008 2.802 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.563 3.342 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.114 4.152 1.914 1.00 0.00 H new ATOM 334 N GLU A 20 56.590 5.857 0.894 1.00 0.00 N ATOM 335 CA GLU A 20 56.505 7.209 0.354 1.00 0.00 C ATOM 336 C GLU A 20 57.862 7.902 0.513 1.00 0.00 C ATOM 337 O GLU A 20 58.636 7.551 1.403 1.00 0.00 O ATOM 338 CB GLU A 20 55.390 7.960 1.102 1.00 0.00 C ATOM 339 CG GLU A 20 54.569 8.889 0.193 1.00 0.00 C ATOM 340 CD GLU A 20 53.177 9.236 0.760 1.00 0.00 C ATOM 341 OE1 GLU A 20 52.588 8.423 1.472 1.00 0.00 O ATOM 342 OE2 GLU A 20 52.686 10.326 0.469 1.00 0.00 O ATOM 0 H GLU A 20 57.316 5.694 1.591 1.00 0.00 H new ATOM 0 HA GLU A 20 56.262 7.194 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.722 7.235 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.833 8.548 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.127 9.812 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.448 8.416 -0.781 1.00 0.00 H new ATOM 349 N PRO A 21 58.134 8.921 -0.352 1.00 0.00 N ATOM 350 CA PRO A 21 59.360 9.698 -0.236 1.00 0.00 C ATOM 351 C PRO A 21 59.444 10.542 1.052 1.00 0.00 C ATOM 352 O PRO A 21 60.451 11.185 1.305 1.00 0.00 O ATOM 353 CB PRO A 21 59.415 10.567 -1.503 1.00 0.00 C ATOM 354 CG PRO A 21 58.339 9.995 -2.431 1.00 0.00 C ATOM 355 CD PRO A 21 57.328 9.359 -1.489 1.00 0.00 C ATOM 0 HA PRO A 21 60.221 9.035 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 59.219 11.614 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.400 10.523 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.881 10.776 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.757 9.261 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.562 10.072 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.814 8.521 -1.961 1.00 0.00 H new ATOM 363 N ASP A 22 58.366 10.518 1.854 1.00 0.00 N ATOM 364 CA ASP A 22 58.344 11.362 3.057 1.00 0.00 C ATOM 365 C ASP A 22 58.961 10.638 4.259 1.00 0.00 C ATOM 366 O ASP A 22 59.739 11.232 5.002 1.00 0.00 O ATOM 367 CB ASP A 22 56.890 11.775 3.354 1.00 0.00 C ATOM 368 CG ASP A 22 56.602 13.250 2.997 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.494 14.091 3.130 1.00 0.00 O ATOM 370 OD2 ASP A 22 55.478 13.544 2.598 1.00 0.00 O ATOM 0 H ASP A 22 57.533 9.950 1.701 1.00 0.00 H new ATOM 0 HA ASP A 22 58.946 12.252 2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.212 11.131 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.680 11.614 4.411 1.00 0.00 H new ATOM 375 N GLU A 23 58.575 9.351 4.399 1.00 0.00 N ATOM 376 CA GLU A 23 59.073 8.515 5.502 1.00 0.00 C ATOM 377 C GLU A 23 60.597 8.543 5.581 1.00 0.00 C ATOM 378 O GLU A 23 61.289 8.894 4.630 1.00 0.00 O ATOM 379 CB GLU A 23 58.595 7.073 5.289 1.00 0.00 C ATOM 380 CG GLU A 23 57.146 6.883 5.769 1.00 0.00 C ATOM 381 CD GLU A 23 57.060 6.449 7.250 1.00 0.00 C ATOM 382 OE1 GLU A 23 57.984 6.724 8.018 1.00 0.00 O ATOM 383 OE2 GLU A 23 56.065 5.827 7.620 1.00 0.00 O ATOM 0 H GLU A 23 57.928 8.877 3.768 1.00 0.00 H new ATOM 0 HA GLU A 23 58.683 8.911 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.666 6.818 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.250 6.388 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.598 7.816 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.657 6.134 5.146 1.00 0.00 H new ATOM 390 N THR A 24 61.066 8.158 6.788 1.00 0.00 N ATOM 391 CA THR A 24 62.497 8.193 7.052 1.00 0.00 C ATOM 392 C THR A 24 63.189 6.898 6.617 1.00 0.00 C ATOM 393 O THR A 24 64.255 6.601 7.130 1.00 0.00 O ATOM 394 CB THR A 24 62.812 8.546 8.524 1.00 0.00 C ATOM 395 OG1 THR A 24 61.709 8.295 9.353 1.00 0.00 O ATOM 396 CG2 THR A 24 63.269 10.001 8.683 1.00 0.00 C ATOM 0 H THR A 24 60.488 7.832 7.562 1.00 0.00 H new ATOM 0 HA THR A 24 62.908 8.997 6.442 1.00 0.00 H new ATOM 0 HB THR A 24 63.636 7.901 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 24 61.936 8.525 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.479 10.204 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.171 10.165 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.482 10.670 8.335 1.00 0.00 H new ATOM 404 N VAL A 25 62.603 6.156 5.657 1.00 0.00 N ATOM 405 CA VAL A 25 63.260 4.938 5.152 1.00 0.00 C ATOM 406 C VAL A 25 63.074 3.766 6.125 1.00 0.00 C ATOM 407 O VAL A 25 62.983 2.630 5.688 1.00 0.00 O ATOM 408 CB VAL A 25 64.764 5.110 4.804 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.379 3.873 4.132 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.044 6.355 3.954 1.00 0.00 C ATOM 0 H VAL A 25 61.703 6.371 5.227 1.00 0.00 H new ATOM 0 HA VAL A 25 62.758 4.720 4.209 1.00 0.00 H new ATOM 0 HB VAL A 25 65.249 5.241 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.431 4.061 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.293 3.016 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.850 3.663 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.112 6.420 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.493 6.286 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.726 7.245 4.497 1.00 0.00 H new ATOM 420 N LYS A 26 63.021 4.057 7.437 1.00 0.00 N ATOM 421 CA LYS A 26 62.841 2.986 8.420 1.00 0.00 C ATOM 422 C LYS A 26 61.587 2.165 8.167 1.00 0.00 C ATOM 423 O LYS A 26 61.600 0.944 8.299 1.00 0.00 O ATOM 424 CB LYS A 26 62.756 3.581 9.823 1.00 0.00 C ATOM 425 CG LYS A 26 62.690 2.501 10.903 1.00 0.00 C ATOM 426 CD LYS A 26 63.114 3.045 12.270 1.00 0.00 C ATOM 427 CE LYS A 26 63.510 1.912 13.217 1.00 0.00 C ATOM 428 NZ LYS A 26 62.344 1.267 13.805 1.00 0.00 N ATOM 0 H LYS A 26 63.098 4.996 7.828 1.00 0.00 H new ATOM 0 HA LYS A 26 63.703 2.325 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.623 4.217 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.874 4.218 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.675 2.110 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.336 1.668 10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.953 3.730 12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.296 3.618 12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.099 1.173 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.146 2.306 14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.653 0.504 14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.795 1.967 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.750 0.869 13.050 1.00 0.00 H new ATOM 442 N VAL A 27 60.524 2.900 7.790 1.00 0.00 N ATOM 443 CA VAL A 27 59.259 2.225 7.506 1.00 0.00 C ATOM 444 C VAL A 27 59.414 1.197 6.371 1.00 0.00 C ATOM 445 O VAL A 27 58.784 0.141 6.364 1.00 0.00 O ATOM 446 CB VAL A 27 58.173 3.256 7.162 1.00 0.00 C ATOM 447 CG1 VAL A 27 58.130 3.638 5.669 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.801 2.770 7.655 1.00 0.00 C ATOM 0 H VAL A 27 60.518 3.914 7.680 1.00 0.00 H new ATOM 0 HA VAL A 27 58.956 1.682 8.401 1.00 0.00 H new ATOM 0 HB VAL A 27 58.438 4.173 7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.339 4.369 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 59.088 4.067 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.932 2.748 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.041 3.510 7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.557 1.822 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.831 2.632 8.736 1.00 0.00 H new ATOM 458 N LEU A 28 60.288 1.603 5.424 1.00 0.00 N ATOM 459 CA LEU A 28 60.582 0.782 4.259 1.00 0.00 C ATOM 460 C LEU A 28 61.278 -0.487 4.675 1.00 0.00 C ATOM 461 O LEU A 28 61.039 -1.556 4.129 1.00 0.00 O ATOM 462 CB LEU A 28 61.543 1.526 3.333 1.00 0.00 C ATOM 463 CG LEU A 28 61.913 0.745 2.092 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.688 0.336 1.312 1.00 0.00 C ATOM 465 CD2 LEU A 28 62.929 1.459 1.219 1.00 0.00 C ATOM 0 H LEU A 28 60.792 2.489 5.455 1.00 0.00 H new ATOM 0 HA LEU A 28 59.639 0.561 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.089 2.471 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.452 1.768 3.884 1.00 0.00 H new ATOM 0 HG LEU A 28 62.405 -0.164 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 28 60.990 -0.223 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.051 -0.290 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.136 1.226 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.152 0.847 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.522 2.417 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.844 1.627 1.788 1.00 0.00 H new ATOM 477 N LYS A 29 62.163 -0.288 5.662 1.00 0.00 N ATOM 478 CA LYS A 29 62.885 -1.417 6.187 1.00 0.00 C ATOM 479 C LYS A 29 61.890 -2.455 6.714 1.00 0.00 C ATOM 480 O LYS A 29 62.069 -3.645 6.506 1.00 0.00 O ATOM 481 CB LYS A 29 63.863 -0.938 7.255 1.00 0.00 C ATOM 482 CG LYS A 29 64.798 0.151 6.761 1.00 0.00 C ATOM 483 CD LYS A 29 66.005 0.270 7.674 1.00 0.00 C ATOM 484 CE LYS A 29 67.047 1.199 7.073 1.00 0.00 C ATOM 485 NZ LYS A 29 68.342 1.127 7.764 1.00 0.00 N ATOM 0 H LYS A 29 62.379 0.613 6.088 1.00 0.00 H new ATOM 0 HA LYS A 29 63.472 -1.901 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.302 -0.566 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.454 -1.785 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 65.124 -0.074 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.269 1.103 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 65.694 0.647 8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.441 -0.715 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.187 0.948 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.677 2.224 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.866 2.013 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 68.185 0.987 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.893 0.330 7.386 1.00 0.00 H new ATOM 499 N GLU A 30 60.827 -1.945 7.364 1.00 0.00 N ATOM 500 CA GLU A 30 59.832 -2.851 7.941 1.00 0.00 C ATOM 501 C GLU A 30 59.112 -3.674 6.861 1.00 0.00 C ATOM 502 O GLU A 30 58.856 -4.860 7.043 1.00 0.00 O ATOM 503 CB GLU A 30 58.814 -2.063 8.772 1.00 0.00 C ATOM 504 CG GLU A 30 59.487 -1.061 9.729 1.00 0.00 C ATOM 505 CD GLU A 30 58.676 -0.745 11.000 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.629 -1.351 11.225 1.00 0.00 O ATOM 507 OE2 GLU A 30 59.115 0.114 11.766 1.00 0.00 O ATOM 0 H GLU A 30 60.643 -0.951 7.497 1.00 0.00 H new ATOM 0 HA GLU A 30 60.362 -3.549 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.141 -1.527 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 30 58.204 -2.758 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 60.459 -1.456 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.671 -0.131 9.190 1.00 0.00 H new ATOM 514 N LYS A 31 58.817 -2.978 5.744 1.00 0.00 N ATOM 515 CA LYS A 31 58.099 -3.612 4.635 1.00 0.00 C ATOM 516 C LYS A 31 58.966 -4.657 3.907 1.00 0.00 C ATOM 517 O LYS A 31 58.561 -5.804 3.753 1.00 0.00 O ATOM 518 CB LYS A 31 57.646 -2.541 3.636 1.00 0.00 C ATOM 519 CG LYS A 31 56.167 -2.185 3.747 1.00 0.00 C ATOM 520 CD LYS A 31 55.843 -1.317 4.963 1.00 0.00 C ATOM 521 CE LYS A 31 54.348 -1.362 5.281 1.00 0.00 C ATOM 522 NZ LYS A 31 53.513 -1.082 4.115 1.00 0.00 N ATOM 0 H LYS A 31 59.061 -1.999 5.593 1.00 0.00 H new ATOM 0 HA LYS A 31 57.235 -4.129 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.240 -1.640 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.852 -2.890 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.858 -1.661 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.582 -3.103 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.413 -1.664 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 31 56.148 -0.288 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.095 -2.346 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.126 -0.637 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 52.538 -0.891 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 53.886 -0.251 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.519 -1.904 3.478 1.00 0.00 H new ATOM 536 N ILE A 32 60.147 -4.193 3.460 1.00 0.00 N ATOM 537 CA ILE A 32 61.106 -5.067 2.757 1.00 0.00 C ATOM 538 C ILE A 32 61.489 -6.275 3.611 1.00 0.00 C ATOM 539 O ILE A 32 61.642 -7.386 3.116 1.00 0.00 O ATOM 540 CB ILE A 32 62.377 -4.270 2.415 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.084 -3.226 1.359 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.530 -5.170 1.946 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.185 -2.186 1.270 1.00 0.00 C ATOM 0 H ILE A 32 60.459 -3.228 3.571 1.00 0.00 H new ATOM 0 HA ILE A 32 60.628 -5.425 1.846 1.00 0.00 H new ATOM 0 HB ILE A 32 62.694 -3.781 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 32 61.965 -3.712 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.138 -2.735 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.401 -4.556 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.782 -5.879 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.226 -5.714 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.935 -1.456 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.286 -1.680 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.126 -2.673 1.015 1.00 0.00 H new ATOM 555 N GLU A 33 61.638 -5.984 4.911 1.00 0.00 N ATOM 556 CA GLU A 33 61.952 -7.047 5.853 1.00 0.00 C ATOM 557 C GLU A 33 60.760 -8.009 5.996 1.00 0.00 C ATOM 558 O GLU A 33 60.936 -9.198 6.223 1.00 0.00 O ATOM 559 CB GLU A 33 62.279 -6.426 7.211 1.00 0.00 C ATOM 560 CG GLU A 33 62.940 -7.427 8.165 1.00 0.00 C ATOM 561 CD GLU A 33 62.187 -7.689 9.476 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.100 -7.156 9.683 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.706 -8.440 10.292 1.00 0.00 O ATOM 0 H GLU A 33 61.548 -5.052 5.316 1.00 0.00 H new ATOM 0 HA GLU A 33 62.809 -7.611 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.942 -5.573 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.363 -6.046 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.062 -8.375 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.940 -7.066 8.407 1.00 0.00 H new ATOM 570 N ALA A 34 59.551 -7.445 5.839 1.00 0.00 N ATOM 571 CA ALA A 34 58.349 -8.288 5.882 1.00 0.00 C ATOM 572 C ALA A 34 58.230 -9.174 4.627 1.00 0.00 C ATOM 573 O ALA A 34 57.615 -10.237 4.665 1.00 0.00 O ATOM 574 CB ALA A 34 57.109 -7.403 6.017 1.00 0.00 C ATOM 0 H ALA A 34 59.384 -6.450 5.687 1.00 0.00 H new ATOM 0 HA ALA A 34 58.429 -8.948 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.217 -8.029 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.176 -6.820 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.049 -6.729 5.163 1.00 0.00 H new ATOM 580 N GLU A 35 58.855 -8.683 3.538 1.00 0.00 N ATOM 581 CA GLU A 35 58.860 -9.438 2.286 1.00 0.00 C ATOM 582 C GLU A 35 59.814 -10.636 2.408 1.00 0.00 C ATOM 583 O GLU A 35 59.470 -11.748 2.021 1.00 0.00 O ATOM 584 CB GLU A 35 59.268 -8.494 1.150 1.00 0.00 C ATOM 585 CG GLU A 35 59.637 -9.212 -0.163 1.00 0.00 C ATOM 586 CD GLU A 35 60.623 -8.331 -0.900 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.181 -7.323 -1.444 1.00 0.00 O ATOM 588 OE2 GLU A 35 61.810 -8.650 -0.894 1.00 0.00 O ATOM 0 H GLU A 35 59.348 -7.791 3.506 1.00 0.00 H new ATOM 0 HA GLU A 35 57.868 -9.834 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.449 -7.802 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.119 -7.897 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.075 -10.188 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.748 -9.383 -0.770 1.00 0.00 H new ATOM 595 N LYS A 36 61.016 -10.334 2.936 1.00 0.00 N ATOM 596 CA LYS A 36 62.064 -11.353 2.989 1.00 0.00 C ATOM 597 C LYS A 36 62.160 -11.964 4.392 1.00 0.00 C ATOM 598 O LYS A 36 61.896 -13.146 4.585 1.00 0.00 O ATOM 599 CB LYS A 36 63.380 -10.719 2.545 1.00 0.00 C ATOM 600 CG LYS A 36 64.029 -11.478 1.375 1.00 0.00 C ATOM 601 CD LYS A 36 64.207 -12.984 1.579 1.00 0.00 C ATOM 602 CE LYS A 36 65.292 -13.549 0.649 1.00 0.00 C ATOM 603 NZ LYS A 36 64.711 -14.345 -0.421 1.00 0.00 N ATOM 0 H LYS A 36 61.274 -9.424 3.318 1.00 0.00 H new ATOM 0 HA LYS A 36 61.825 -12.174 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.201 -9.685 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 64.071 -10.695 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.423 -11.320 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 36 65.007 -11.038 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.475 -13.183 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.262 -13.493 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 65.870 -12.730 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.985 -14.162 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 65.469 -14.712 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 64.179 -15.140 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 64.069 -13.753 -0.985 1.00 0.00 H new ATOM 617 N GLY A 37 62.559 -11.090 5.335 1.00 0.00 N ATOM 618 CA GLY A 37 62.653 -11.487 6.739 1.00 0.00 C ATOM 619 C GLY A 37 63.816 -10.764 7.405 1.00 0.00 C ATOM 620 O GLY A 37 64.566 -10.023 6.772 1.00 0.00 O ATOM 0 H GLY A 37 62.816 -10.121 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.723 -11.251 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.794 -12.565 6.812 1.00 0.00 H new ATOM 624 N ARG A 38 63.916 -11.034 8.724 1.00 0.00 N ATOM 625 CA ARG A 38 64.986 -10.444 9.536 1.00 0.00 C ATOM 626 C ARG A 38 66.351 -11.098 9.229 1.00 0.00 C ATOM 627 O ARG A 38 67.385 -10.664 9.726 1.00 0.00 O ATOM 628 CB ARG A 38 64.649 -10.620 11.029 1.00 0.00 C ATOM 629 CG ARG A 38 65.191 -9.480 11.911 1.00 0.00 C ATOM 630 CD ARG A 38 65.108 -9.799 13.399 1.00 0.00 C ATOM 631 NE ARG A 38 66.214 -10.684 13.743 1.00 0.00 N ATOM 632 CZ ARG A 38 66.310 -11.264 14.956 1.00 0.00 C ATOM 633 NH1 ARG A 38 65.376 -11.064 15.884 1.00 0.00 N ATOM 634 NH2 ARG A 38 67.352 -12.043 15.225 1.00 0.00 N ATOM 0 H ARG A 38 63.279 -11.645 9.236 1.00 0.00 H new ATOM 0 HA ARG A 38 65.058 -9.384 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 38 63.567 -10.678 11.146 1.00 0.00 H new ATOM 0 HB3 ARG A 38 65.059 -11.568 11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 38 66.229 -9.281 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.629 -8.569 11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 38 65.159 -8.882 13.987 1.00 0.00 H new ATOM 0 HD3 ARG A 38 64.155 -10.275 13.632 1.00 0.00 H new ATOM 0 HE ARG A 38 66.936 -10.870 13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 38 64.575 -10.466 15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 38 65.461 -11.509 16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 38 68.070 -12.197 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 38 67.434 -12.487 16.140 1.00 0.00 H new ATOM 648 N ASP A 39 66.300 -12.164 8.409 1.00 0.00 N ATOM 649 CA ASP A 39 67.526 -12.873 8.039 1.00 0.00 C ATOM 650 C ASP A 39 68.071 -12.333 6.718 1.00 0.00 C ATOM 651 O ASP A 39 69.280 -12.255 6.518 1.00 0.00 O ATOM 652 CB ASP A 39 67.219 -14.380 7.937 1.00 0.00 C ATOM 653 CG ASP A 39 67.999 -15.153 9.014 1.00 0.00 C ATOM 654 OD1 ASP A 39 69.209 -15.317 8.854 1.00 0.00 O ATOM 655 OD2 ASP A 39 67.394 -15.572 9.999 1.00 0.00 O ATOM 0 H ASP A 39 65.444 -12.541 8.002 1.00 0.00 H new ATOM 0 HA ASP A 39 68.290 -12.716 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.149 -14.550 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.489 -14.748 6.947 1.00 0.00 H new ATOM 660 N ALA A 40 67.118 -11.974 5.839 1.00 0.00 N ATOM 661 CA ALA A 40 67.521 -11.475 4.532 1.00 0.00 C ATOM 662 C ALA A 40 67.897 -9.998 4.641 1.00 0.00 C ATOM 663 O ALA A 40 69.025 -9.617 4.341 1.00 0.00 O ATOM 664 CB ALA A 40 66.389 -11.707 3.542 1.00 0.00 C ATOM 0 H ALA A 40 66.113 -12.019 6.006 1.00 0.00 H new ATOM 0 HA ALA A 40 68.400 -12.010 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.683 -11.336 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.175 -12.774 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.497 -11.178 3.878 1.00 0.00 H new ATOM 670 N PHE A 41 66.889 -9.207 5.071 1.00 0.00 N ATOM 671 CA PHE A 41 67.067 -7.760 5.185 1.00 0.00 C ATOM 672 C PHE A 41 66.494 -7.315 6.542 1.00 0.00 C ATOM 673 O PHE A 41 65.407 -6.752 6.603 1.00 0.00 O ATOM 674 CB PHE A 41 66.378 -6.996 4.038 1.00 0.00 C ATOM 675 CG PHE A 41 66.369 -7.712 2.726 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.542 -8.171 2.150 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.162 -7.934 2.081 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.497 -8.907 0.978 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.121 -8.598 0.875 1.00 0.00 C ATOM 680 CZ PHE A 41 66.284 -9.114 0.339 1.00 0.00 C ATOM 0 H PHE A 41 65.965 -9.546 5.338 1.00 0.00 H new ATOM 0 HA PHE A 41 68.130 -7.529 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.349 -6.784 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.877 -6.035 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.492 -7.955 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.244 -7.583 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.405 -9.319 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.184 -8.714 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.249 -9.680 -0.580 1.00 0.00 H new ATOM 690 N PRO A 42 67.257 -7.558 7.638 1.00 0.00 N ATOM 691 CA PRO A 42 66.883 -7.044 8.954 1.00 0.00 C ATOM 692 C PRO A 42 67.016 -5.528 8.969 1.00 0.00 C ATOM 693 O PRO A 42 68.088 -5.011 8.680 1.00 0.00 O ATOM 694 CB PRO A 42 67.922 -7.630 9.908 1.00 0.00 C ATOM 695 CG PRO A 42 69.112 -8.019 9.030 1.00 0.00 C ATOM 696 CD PRO A 42 68.519 -8.298 7.649 1.00 0.00 C ATOM 0 HA PRO A 42 65.859 -7.305 9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.214 -6.902 10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.525 -8.497 10.436 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.848 -7.216 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.621 -8.898 9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.185 -7.960 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.355 -9.365 7.495 1.00 0.00 H new ATOM 704 N VAL A 43 65.887 -4.863 9.311 1.00 0.00 N ATOM 705 CA VAL A 43 65.805 -3.398 9.435 1.00 0.00 C ATOM 706 C VAL A 43 67.047 -2.737 10.065 1.00 0.00 C ATOM 707 O VAL A 43 67.425 -1.621 9.708 1.00 0.00 O ATOM 708 CB VAL A 43 64.531 -2.984 10.191 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.277 -3.200 9.340 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.394 -3.680 11.551 1.00 0.00 C ATOM 0 H VAL A 43 65.005 -5.336 9.509 1.00 0.00 H new ATOM 0 HA VAL A 43 65.763 -3.026 8.411 1.00 0.00 H new ATOM 0 HB VAL A 43 64.630 -1.917 10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.396 -2.897 9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.347 -2.603 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.193 -4.254 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.477 -3.349 12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.358 -4.760 11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.249 -3.427 12.177 1.00 0.00 H new ATOM 720 N ALA A 44 67.649 -3.503 10.983 1.00 0.00 N ATOM 721 CA ALA A 44 68.892 -3.079 11.630 1.00 0.00 C ATOM 722 C ALA A 44 69.983 -2.734 10.593 1.00 0.00 C ATOM 723 O ALA A 44 70.415 -1.589 10.490 1.00 0.00 O ATOM 724 CB ALA A 44 69.329 -4.192 12.596 1.00 0.00 C ATOM 0 H ALA A 44 67.298 -4.410 11.291 1.00 0.00 H new ATOM 0 HA ALA A 44 68.727 -2.161 12.194 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.255 -3.900 13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.552 -4.351 13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.491 -5.115 12.039 1.00 0.00 H new ATOM 730 N GLY A 45 70.380 -3.782 9.838 1.00 0.00 N ATOM 731 CA GLY A 45 71.431 -3.619 8.832 1.00 0.00 C ATOM 732 C GLY A 45 70.880 -3.369 7.420 1.00 0.00 C ATOM 733 O GLY A 45 71.631 -3.465 6.457 1.00 0.00 O ATOM 0 H GLY A 45 69.995 -4.724 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.073 -2.786 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.055 -4.513 8.819 1.00 0.00 H new ATOM 737 N GLN A 46 69.572 -3.046 7.338 1.00 0.00 N ATOM 738 CA GLN A 46 68.936 -2.779 6.040 1.00 0.00 C ATOM 739 C GLN A 46 69.421 -1.449 5.475 1.00 0.00 C ATOM 740 O GLN A 46 68.761 -0.430 5.595 1.00 0.00 O ATOM 741 CB GLN A 46 67.415 -2.742 6.221 1.00 0.00 C ATOM 742 CG GLN A 46 66.724 -4.094 6.026 1.00 0.00 C ATOM 743 CD GLN A 46 65.713 -4.033 4.886 1.00 0.00 C ATOM 744 OE1 GLN A 46 64.484 -4.442 5.234 1.00 0.00 O flip ATOM 745 NE2 GLN A 46 66.032 -3.659 3.768 1.00 0.00 N flip ATOM 0 H GLN A 46 68.949 -2.966 8.142 1.00 0.00 H new ATOM 0 HA GLN A 46 69.204 -3.571 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.189 -2.373 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.994 -2.027 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.470 -4.860 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.221 -4.385 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 46 66.990 -3.363 3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 46 65.340 -3.643 3.019 1.00 0.00 H new ATOM 754 N LYS A 47 70.588 -1.511 4.828 1.00 0.00 N ATOM 755 CA LYS A 47 71.120 -0.309 4.193 1.00 0.00 C ATOM 756 C LYS A 47 70.659 -0.291 2.753 1.00 0.00 C ATOM 757 O LYS A 47 70.422 -1.325 2.142 1.00 0.00 O ATOM 758 CB LYS A 47 72.648 -0.307 4.296 1.00 0.00 C ATOM 759 CG LYS A 47 73.142 0.048 5.695 1.00 0.00 C ATOM 760 CD LYS A 47 72.699 1.448 6.144 1.00 0.00 C ATOM 761 CE LYS A 47 73.289 1.826 7.496 1.00 0.00 C ATOM 762 NZ LYS A 47 73.025 0.802 8.503 1.00 0.00 N ATOM 0 H LYS A 47 71.162 -2.349 4.733 1.00 0.00 H new ATOM 0 HA LYS A 47 70.756 0.589 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.028 -1.290 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.056 0.406 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.771 -0.691 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.230 -0.008 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 73.004 2.182 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 47 71.611 1.483 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.365 1.970 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 47 72.869 2.777 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.240 1.180 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 72.024 0.524 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 73.623 -0.029 8.318 1.00 0.00 H new ATOM 776 N LEU A 48 70.511 0.954 2.267 1.00 0.00 N ATOM 777 CA LEU A 48 70.052 1.157 0.902 1.00 0.00 C ATOM 778 C LEU A 48 71.039 2.087 0.185 1.00 0.00 C ATOM 779 O LEU A 48 71.697 2.879 0.844 1.00 0.00 O ATOM 780 CB LEU A 48 68.651 1.737 0.936 1.00 0.00 C ATOM 781 CG LEU A 48 67.532 0.731 1.203 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.254 0.568 2.699 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.229 1.157 0.569 1.00 0.00 C ATOM 0 H LEU A 48 70.700 1.808 2.792 1.00 0.00 H new ATOM 0 HA LEU A 48 70.013 0.215 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.614 2.509 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.456 2.228 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 48 67.883 -0.207 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.452 -0.156 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.155 0.216 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.956 1.528 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.460 0.414 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.925 2.122 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.360 1.243 -0.510 1.00 0.00 H new ATOM 795 N ILE A 49 71.136 1.951 -1.170 1.00 0.00 N ATOM 796 CA ILE A 49 72.136 2.724 -1.938 1.00 0.00 C ATOM 797 C ILE A 49 71.525 3.447 -3.152 1.00 0.00 C ATOM 798 O ILE A 49 71.154 2.803 -4.130 1.00 0.00 O ATOM 799 CB ILE A 49 73.287 1.841 -2.477 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.622 0.632 -1.601 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.544 2.683 -2.748 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.854 0.989 -0.143 1.00 0.00 C ATOM 0 H ILE A 49 70.550 1.332 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 49 72.519 3.449 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 49 72.918 1.427 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.808 -0.091 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.514 0.144 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.338 2.040 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.316 3.450 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.871 3.157 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.087 0.085 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.687 1.688 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.955 1.450 0.266 1.00 0.00 H new ATOM 814 N TYR A 50 71.454 4.798 -3.059 1.00 0.00 N ATOM 815 CA TYR A 50 70.850 5.597 -4.128 1.00 0.00 C ATOM 816 C TYR A 50 71.902 6.524 -4.715 1.00 0.00 C ATOM 817 O TYR A 50 72.414 7.408 -4.037 1.00 0.00 O ATOM 818 CB TYR A 50 69.692 6.441 -3.583 1.00 0.00 C ATOM 819 CG TYR A 50 68.719 6.816 -4.661 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.710 5.941 -5.021 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.801 8.045 -5.305 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.778 6.323 -5.974 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.897 8.419 -6.281 1.00 0.00 C ATOM 824 CZ TYR A 50 66.863 7.564 -6.596 1.00 0.00 C ATOM 825 OH TYR A 50 65.918 7.970 -7.512 1.00 0.00 O ATOM 0 H TYR A 50 71.803 5.339 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 50 70.467 4.923 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.173 5.885 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.088 7.345 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.648 4.965 -4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.594 8.727 -5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 50 65.976 5.649 -6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.999 9.367 -6.789 1.00 0.00 H new ATOM 0 HH TYR A 50 65.318 8.624 -7.096 1.00 0.00 H new ATOM 835 N ALA A 51 72.169 6.277 -6.011 1.00 0.00 N ATOM 836 CA ALA A 51 73.128 7.091 -6.754 1.00 0.00 C ATOM 837 C ALA A 51 74.567 6.866 -6.244 1.00 0.00 C ATOM 838 O ALA A 51 75.390 7.778 -6.251 1.00 0.00 O ATOM 839 CB ALA A 51 72.741 8.579 -6.696 1.00 0.00 C ATOM 0 H ALA A 51 71.737 5.529 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 51 73.099 6.777 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.469 9.166 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.752 8.715 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.728 8.911 -5.658 1.00 0.00 H new ATOM 845 N GLY A 52 74.803 5.619 -5.779 1.00 0.00 N ATOM 846 CA GLY A 52 76.111 5.272 -5.217 1.00 0.00 C ATOM 847 C GLY A 52 76.267 5.667 -3.730 1.00 0.00 C ATOM 848 O GLY A 52 77.216 5.243 -3.075 1.00 0.00 O ATOM 0 H GLY A 52 74.121 4.861 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.268 4.198 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.890 5.764 -5.799 1.00 0.00 H new ATOM 852 N LYS A 53 75.306 6.482 -3.244 1.00 0.00 N ATOM 853 CA LYS A 53 75.299 6.949 -1.848 1.00 0.00 C ATOM 854 C LYS A 53 74.523 5.954 -0.997 1.00 0.00 C ATOM 855 O LYS A 53 73.827 5.122 -1.545 1.00 0.00 O ATOM 856 CB LYS A 53 74.588 8.308 -1.807 1.00 0.00 C ATOM 857 CG LYS A 53 75.556 9.469 -1.631 1.00 0.00 C ATOM 858 CD LYS A 53 75.096 10.704 -2.405 1.00 0.00 C ATOM 859 CE LYS A 53 75.807 11.965 -1.924 1.00 0.00 C ATOM 860 NZ LYS A 53 77.257 11.800 -1.881 1.00 0.00 N ATOM 0 H LYS A 53 74.526 6.828 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 53 76.316 7.039 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 53 74.024 8.447 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.868 8.313 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 75.644 9.714 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.548 9.172 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 75.288 10.560 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 53 74.019 10.826 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 53 75.557 12.795 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 53 75.444 12.228 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 77.709 12.729 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 77.513 11.188 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 77.583 11.365 -2.767 1.00 0.00 H new ATOM 874 N ILE A 54 74.664 6.093 0.341 1.00 0.00 N ATOM 875 CA ILE A 54 73.980 5.204 1.303 1.00 0.00 C ATOM 876 C ILE A 54 72.870 5.993 1.997 1.00 0.00 C ATOM 877 O ILE A 54 72.938 7.211 2.097 1.00 0.00 O ATOM 878 CB ILE A 54 75.001 4.676 2.343 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.475 3.259 1.980 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.522 4.726 3.817 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.536 2.169 2.511 1.00 0.00 C ATOM 0 H ILE A 54 75.244 6.810 0.776 1.00 0.00 H new ATOM 0 HA ILE A 54 73.546 4.350 0.782 1.00 0.00 H new ATOM 0 HB ILE A 54 75.838 5.372 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.551 3.172 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.475 3.100 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.305 4.336 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.301 5.757 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.623 4.120 3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.918 1.189 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.480 2.235 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.541 2.308 2.087 1.00 0.00 H new ATOM 893 N LEU A 55 71.890 5.210 2.499 1.00 0.00 N ATOM 894 CA LEU A 55 70.731 5.741 3.224 1.00 0.00 C ATOM 895 C LEU A 55 70.353 4.746 4.338 1.00 0.00 C ATOM 896 O LEU A 55 70.233 3.543 4.118 1.00 0.00 O ATOM 897 CB LEU A 55 69.543 5.952 2.271 1.00 0.00 C ATOM 898 CG LEU A 55 69.426 4.924 1.149 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.960 4.737 0.777 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.216 5.314 -0.111 1.00 0.00 C ATOM 0 H LEU A 55 71.887 4.194 2.409 1.00 0.00 H new ATOM 0 HA LEU A 55 70.984 6.708 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.622 5.938 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.624 6.944 1.827 1.00 0.00 H new ATOM 0 HG LEU A 55 69.854 3.996 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.879 4.003 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.405 4.387 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.546 5.688 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.092 4.543 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.844 6.264 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.273 5.412 0.138 1.00 0.00 H new ATOM 912 N SER A 56 70.171 5.344 5.538 1.00 0.00 N ATOM 913 CA SER A 56 69.790 4.611 6.752 1.00 0.00 C ATOM 914 C SER A 56 68.308 4.872 7.071 1.00 0.00 C ATOM 915 O SER A 56 67.637 5.677 6.439 1.00 0.00 O ATOM 916 CB SER A 56 70.713 5.068 7.899 1.00 0.00 C ATOM 917 OG SER A 56 70.286 4.662 9.179 1.00 0.00 O ATOM 0 H SER A 56 70.286 6.347 5.684 1.00 0.00 H new ATOM 0 HA SER A 56 69.907 3.536 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.715 4.678 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.786 6.155 7.880 1.00 0.00 H new ATOM 0 HG SER A 56 70.919 4.986 9.853 1.00 0.00 H new ATOM 923 N ASP A 57 67.846 4.138 8.099 1.00 0.00 N ATOM 924 CA ASP A 57 66.455 4.197 8.564 1.00 0.00 C ATOM 925 C ASP A 57 66.046 5.561 9.139 1.00 0.00 C ATOM 926 O ASP A 57 64.865 5.819 9.354 1.00 0.00 O ATOM 927 CB ASP A 57 66.267 3.079 9.613 1.00 0.00 C ATOM 928 CG ASP A 57 66.758 3.364 11.040 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.653 4.185 11.224 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.245 2.734 11.964 1.00 0.00 O ATOM 0 H ASP A 57 68.428 3.489 8.628 1.00 0.00 H new ATOM 0 HA ASP A 57 65.802 4.052 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 57 65.205 2.838 9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.779 2.187 9.252 1.00 0.00 H new ATOM 935 N ASP A 58 67.051 6.400 9.402 1.00 0.00 N ATOM 936 CA ASP A 58 66.739 7.705 9.997 1.00 0.00 C ATOM 937 C ASP A 58 66.713 8.803 8.930 1.00 0.00 C ATOM 938 O ASP A 58 66.267 9.911 9.210 1.00 0.00 O ATOM 939 CB ASP A 58 67.780 8.006 11.085 1.00 0.00 C ATOM 940 CG ASP A 58 67.511 7.268 12.416 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.526 6.535 12.527 1.00 0.00 O ATOM 942 OD2 ASP A 58 68.299 7.447 13.344 1.00 0.00 O ATOM 0 H ASP A 58 68.039 6.216 9.225 1.00 0.00 H new ATOM 0 HA ASP A 58 65.746 7.678 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.768 7.729 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.799 9.080 11.271 1.00 0.00 H new ATOM 947 N VAL A 59 67.200 8.458 7.716 1.00 0.00 N ATOM 948 CA VAL A 59 67.273 9.467 6.655 1.00 0.00 C ATOM 949 C VAL A 59 65.941 9.465 5.886 1.00 0.00 C ATOM 950 O VAL A 59 65.291 8.443 5.833 1.00 0.00 O ATOM 951 CB VAL A 59 68.458 9.181 5.707 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.677 8.655 6.469 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.130 8.218 4.561 1.00 0.00 C ATOM 0 H VAL A 59 67.533 7.528 7.461 1.00 0.00 H new ATOM 0 HA VAL A 59 67.440 10.451 7.094 1.00 0.00 H new ATOM 0 HB VAL A 59 68.686 10.149 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.490 8.465 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.995 9.396 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.415 7.728 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.016 8.072 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.811 7.260 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.329 8.637 3.952 1.00 0.00 H new ATOM 963 N PRO A 60 65.552 10.600 5.265 1.00 0.00 N ATOM 964 CA PRO A 60 64.323 10.669 4.465 1.00 0.00 C ATOM 965 C PRO A 60 64.514 10.050 3.075 1.00 0.00 C ATOM 966 O PRO A 60 65.548 10.223 2.443 1.00 0.00 O ATOM 967 CB PRO A 60 63.997 12.165 4.388 1.00 0.00 C ATOM 968 CG PRO A 60 65.135 12.887 5.125 1.00 0.00 C ATOM 969 CD PRO A 60 66.254 11.869 5.306 1.00 0.00 C ATOM 0 HA PRO A 60 63.509 10.098 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 60 63.931 12.497 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.034 12.379 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.483 13.747 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.794 13.263 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 60 66.999 11.944 4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.778 12.010 6.251 1.00 0.00 H new ATOM 977 N ILE A 61 63.479 9.317 2.624 1.00 0.00 N ATOM 978 CA ILE A 61 63.500 8.786 1.255 1.00 0.00 C ATOM 979 C ILE A 61 63.555 9.929 0.217 1.00 0.00 C ATOM 980 O ILE A 61 64.109 9.787 -0.869 1.00 0.00 O ATOM 981 CB ILE A 61 62.244 7.927 1.053 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.243 6.717 1.989 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.085 7.471 -0.406 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.073 5.537 1.461 1.00 0.00 C ATOM 0 H ILE A 61 62.647 9.087 3.167 1.00 0.00 H new ATOM 0 HA ILE A 61 64.393 8.179 1.111 1.00 0.00 H new ATOM 0 HB ILE A 61 61.390 8.558 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.632 7.019 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.216 6.388 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.183 6.866 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.007 8.344 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.952 6.879 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.029 4.713 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.671 5.209 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.109 5.850 1.332 1.00 0.00 H new ATOM 996 N ARG A 62 62.966 11.066 0.612 1.00 0.00 N ATOM 997 CA ARG A 62 62.950 12.229 -0.279 1.00 0.00 C ATOM 998 C ARG A 62 64.359 12.805 -0.431 1.00 0.00 C ATOM 999 O ARG A 62 64.693 13.367 -1.469 1.00 0.00 O ATOM 1000 CB ARG A 62 61.951 13.269 0.260 1.00 0.00 C ATOM 1001 CG ARG A 62 62.334 14.742 0.048 1.00 0.00 C ATOM 1002 CD ARG A 62 61.114 15.617 -0.203 1.00 0.00 C ATOM 1003 NE ARG A 62 61.481 17.018 -0.051 1.00 0.00 N ATOM 1004 CZ ARG A 62 62.065 17.738 -1.033 1.00 0.00 C ATOM 1005 NH1 ARG A 62 62.346 17.202 -2.222 1.00 0.00 N ATOM 1006 NH2 ARG A 62 62.366 19.012 -0.803 1.00 0.00 N ATOM 0 H ARG A 62 62.509 11.203 1.513 1.00 0.00 H new ATOM 0 HA ARG A 62 62.622 11.930 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 62 60.984 13.094 -0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 62 61.820 13.098 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 62 62.868 15.108 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.017 14.821 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.726 15.439 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.319 15.360 0.497 1.00 0.00 H new ATOM 0 HE ARG A 62 61.288 17.477 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 62 62.119 16.225 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 62 62.787 17.769 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.156 19.430 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 62 62.807 19.572 -1.533 1.00 0.00 H new ATOM 1020 N ASP A 63 65.159 12.632 0.646 1.00 0.00 N ATOM 1021 CA ASP A 63 66.539 13.115 0.614 1.00 0.00 C ATOM 1022 C ASP A 63 67.328 12.447 -0.525 1.00 0.00 C ATOM 1023 O ASP A 63 68.259 13.032 -1.072 1.00 0.00 O ATOM 1024 CB ASP A 63 67.198 12.873 1.986 1.00 0.00 C ATOM 1025 CG ASP A 63 68.703 13.216 2.036 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.505 12.467 1.482 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.062 14.225 2.639 1.00 0.00 O ATOM 0 H ASP A 63 64.877 12.177 1.514 1.00 0.00 H new ATOM 0 HA ASP A 63 66.543 14.187 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.677 13.467 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.066 11.826 2.260 1.00 0.00 H new ATOM 1032 N TYR A 64 66.900 11.209 -0.842 1.00 0.00 N ATOM 1033 CA TYR A 64 67.574 10.431 -1.871 1.00 0.00 C ATOM 1034 C TYR A 64 66.694 10.334 -3.115 1.00 0.00 C ATOM 1035 O TYR A 64 66.931 9.460 -3.926 1.00 0.00 O ATOM 1036 CB TYR A 64 67.888 9.026 -1.336 1.00 0.00 C ATOM 1037 CG TYR A 64 68.917 9.078 -0.249 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.543 9.467 1.030 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.246 8.772 -0.498 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.484 9.583 2.031 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.189 8.859 0.516 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.809 9.276 1.782 1.00 0.00 C ATOM 1043 OH TYR A 64 71.715 9.385 2.818 1.00 0.00 O ATOM 0 H TYR A 64 66.105 10.743 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 64 68.507 10.927 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 64 66.976 8.567 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.246 8.396 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.506 9.681 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.549 8.464 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.185 9.915 3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.219 8.602 0.319 1.00 0.00 H new ATOM 0 HH TYR A 64 72.482 8.800 2.645 1.00 0.00 H new ATOM 1053 N ARG A 65 65.684 11.219 -3.242 1.00 0.00 N ATOM 1054 CA ARG A 65 64.805 11.240 -4.429 1.00 0.00 C ATOM 1055 C ARG A 65 64.384 9.837 -4.928 1.00 0.00 C ATOM 1056 O ARG A 65 64.263 9.622 -6.132 1.00 0.00 O ATOM 1057 CB ARG A 65 65.485 12.062 -5.547 1.00 0.00 C ATOM 1058 CG ARG A 65 64.906 13.475 -5.705 1.00 0.00 C ATOM 1059 CD ARG A 65 63.838 13.554 -6.811 1.00 0.00 C ATOM 1060 NE ARG A 65 63.888 14.848 -7.488 1.00 0.00 N ATOM 1061 CZ ARG A 65 64.792 15.115 -8.461 1.00 0.00 C ATOM 1062 NH1 ARG A 65 65.688 14.204 -8.847 1.00 0.00 N ATOM 1063 NH2 ARG A 65 64.789 16.309 -9.046 1.00 0.00 N ATOM 0 H ARG A 65 65.458 11.925 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 65 63.871 11.716 -4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.552 12.136 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.384 11.529 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 65 64.469 13.793 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 65 65.713 14.171 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 65 63.997 12.754 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 62.849 13.402 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 65 63.222 15.572 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 65 65.702 13.284 -8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 65 66.359 14.428 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 65 64.110 17.015 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 65 65.466 16.519 -9.780 1.00 0.00 H new ATOM 1077 N ILE A 66 64.196 8.911 -3.955 1.00 0.00 N ATOM 1078 CA ILE A 66 63.944 7.505 -4.309 1.00 0.00 C ATOM 1079 C ILE A 66 62.524 7.357 -4.846 1.00 0.00 C ATOM 1080 O ILE A 66 61.576 7.068 -4.119 1.00 0.00 O ATOM 1081 CB ILE A 66 64.201 6.540 -3.131 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.292 7.061 -2.194 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.504 5.113 -3.602 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.869 6.055 -1.210 1.00 0.00 C ATOM 0 H ILE A 66 64.214 9.109 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 66 64.654 7.226 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 66 63.273 6.497 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.108 7.452 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.886 7.899 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.677 4.473 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.657 4.731 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.393 5.119 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.632 6.539 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.074 5.679 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.315 5.225 -1.758 1.00 0.00 H new ATOM 1096 N ASP A 67 62.453 7.581 -6.172 1.00 0.00 N ATOM 1097 CA ASP A 67 61.181 7.530 -6.874 1.00 0.00 C ATOM 1098 C ASP A 67 61.068 6.136 -7.491 1.00 0.00 C ATOM 1099 O ASP A 67 62.053 5.412 -7.584 1.00 0.00 O ATOM 1100 CB ASP A 67 61.161 8.661 -7.919 1.00 0.00 C ATOM 1101 CG ASP A 67 59.870 8.646 -8.762 1.00 0.00 C ATOM 1102 OD1 ASP A 67 58.793 8.838 -8.197 1.00 0.00 O ATOM 1103 OD2 ASP A 67 59.955 8.425 -9.967 1.00 0.00 O ATOM 0 H ASP A 67 63.257 7.795 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 67 60.322 7.685 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.253 9.623 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 67 62.025 8.562 -8.577 1.00 0.00 H new ATOM 1108 N GLU A 68 59.819 5.825 -7.889 1.00 0.00 N ATOM 1109 CA GLU A 68 59.484 4.567 -8.566 1.00 0.00 C ATOM 1110 C GLU A 68 60.362 4.310 -9.797 1.00 0.00 C ATOM 1111 O GLU A 68 60.941 3.235 -9.929 1.00 0.00 O ATOM 1112 CB GLU A 68 57.993 4.607 -8.961 1.00 0.00 C ATOM 1113 CG GLU A 68 57.601 3.611 -10.081 1.00 0.00 C ATOM 1114 CD GLU A 68 57.621 4.272 -11.480 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.134 5.396 -11.618 1.00 0.00 O ATOM 1116 OE2 GLU A 68 58.128 3.659 -12.419 1.00 0.00 O ATOM 0 H GLU A 68 59.018 6.441 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 68 59.675 3.743 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.390 4.397 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.743 5.617 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.288 2.765 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 68 56.605 3.215 -9.882 1.00 0.00 H new ATOM 1123 N LYS A 69 60.411 5.337 -10.675 1.00 0.00 N ATOM 1124 CA LYS A 69 61.177 5.248 -11.928 1.00 0.00 C ATOM 1125 C LYS A 69 62.636 4.817 -11.689 1.00 0.00 C ATOM 1126 O LYS A 69 63.274 4.224 -12.555 1.00 0.00 O ATOM 1127 CB LYS A 69 61.129 6.609 -12.646 1.00 0.00 C ATOM 1128 CG LYS A 69 60.668 6.522 -14.106 1.00 0.00 C ATOM 1129 CD LYS A 69 61.798 6.151 -15.078 1.00 0.00 C ATOM 1130 CE LYS A 69 61.609 6.774 -16.471 1.00 0.00 C ATOM 1131 NZ LYS A 69 61.510 5.782 -17.534 1.00 0.00 N ATOM 0 H LYS A 69 59.932 6.227 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 69 60.720 4.480 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.458 7.273 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.120 7.061 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 59.872 5.781 -14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.242 7.480 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 69 62.751 6.480 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 69 61.849 5.066 -15.173 1.00 0.00 H new ATOM 0 HE2 LYS A 69 60.707 7.386 -16.469 1.00 0.00 H new ATOM 0 HE3 LYS A 69 62.446 7.440 -16.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 61.384 6.263 -18.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 62.380 5.213 -17.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 60.695 5.161 -17.355 1.00 0.00 H new ATOM 1145 N ASN A 70 63.089 5.140 -10.461 1.00 0.00 N ATOM 1146 CA ASN A 70 64.407 4.733 -9.998 1.00 0.00 C ATOM 1147 C ASN A 70 64.249 3.593 -8.985 1.00 0.00 C ATOM 1148 O ASN A 70 63.178 3.344 -8.439 1.00 0.00 O ATOM 1149 CB ASN A 70 65.065 5.962 -9.364 1.00 0.00 C ATOM 1150 CG ASN A 70 66.601 5.887 -9.460 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.171 5.080 -8.550 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.220 6.527 -10.299 1.00 0.00 N flip ATOM 0 H ASN A 70 62.554 5.681 -9.782 1.00 0.00 H new ATOM 0 HA ASN A 70 65.031 4.368 -10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 70 64.711 6.864 -9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 70 64.767 6.038 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 70 66.719 7.121 -10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.237 6.467 -10.338 1.00 0.00 H new ATOM 1159 N PHE A 71 65.394 2.924 -8.766 1.00 0.00 N ATOM 1160 CA PHE A 71 65.452 1.903 -7.735 1.00 0.00 C ATOM 1161 C PHE A 71 66.775 2.027 -6.970 1.00 0.00 C ATOM 1162 O PHE A 71 67.826 2.296 -7.544 1.00 0.00 O ATOM 1163 CB PHE A 71 65.213 0.535 -8.402 1.00 0.00 C ATOM 1164 CG PHE A 71 66.441 -0.180 -8.889 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.340 -0.699 -7.972 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.700 -0.332 -10.247 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.518 -1.292 -8.393 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.856 -0.966 -10.671 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.778 -1.427 -9.741 1.00 0.00 C ATOM 0 H PHE A 71 66.263 3.073 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 71 64.672 2.024 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.699 -0.110 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.539 0.677 -9.247 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.119 -0.640 -6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.997 0.046 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.233 -1.649 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.040 -1.102 -11.726 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.696 -1.890 -10.072 1.00 0.00 H new ATOM 1179 N VAL A 72 66.656 1.785 -5.648 1.00 0.00 N ATOM 1180 CA VAL A 72 67.823 1.788 -4.768 1.00 0.00 C ATOM 1181 C VAL A 72 68.262 0.346 -4.480 1.00 0.00 C ATOM 1182 O VAL A 72 67.478 -0.587 -4.624 1.00 0.00 O ATOM 1183 CB VAL A 72 67.404 2.542 -3.496 1.00 0.00 C ATOM 1184 CG1 VAL A 72 66.791 1.641 -2.471 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.529 3.364 -2.927 1.00 0.00 C ATOM 0 H VAL A 72 65.772 1.588 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 72 68.683 2.282 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 72 66.624 3.241 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.513 2.224 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 72 65.902 1.167 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.510 0.874 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.186 3.879 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.365 2.711 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.852 4.098 -3.665 1.00 0.00 H new ATOM 1195 N VAL A 73 69.527 0.211 -4.034 1.00 0.00 N ATOM 1196 CA VAL A 73 70.015 -1.132 -3.703 1.00 0.00 C ATOM 1197 C VAL A 73 69.952 -1.395 -2.198 1.00 0.00 C ATOM 1198 O VAL A 73 70.628 -0.724 -1.437 1.00 0.00 O ATOM 1199 CB VAL A 73 71.460 -1.311 -4.192 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.048 -2.688 -3.807 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.563 -1.054 -5.699 1.00 0.00 C ATOM 0 H VAL A 73 70.193 0.972 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 73 69.367 -1.849 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 73 72.067 -0.565 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.071 -2.763 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.045 -2.794 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.443 -3.479 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.596 -1.187 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 73 70.923 -1.757 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.243 -0.035 -5.917 1.00 0.00 H new ATOM 1211 N VAL A 74 69.180 -2.434 -1.812 1.00 0.00 N ATOM 1212 CA VAL A 74 69.113 -2.847 -0.402 1.00 0.00 C ATOM 1213 C VAL A 74 70.275 -3.809 -0.065 1.00 0.00 C ATOM 1214 O VAL A 74 70.146 -5.028 -0.132 1.00 0.00 O ATOM 1215 CB VAL A 74 67.736 -3.481 -0.102 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.241 -4.385 -1.232 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.710 -4.256 1.228 1.00 0.00 C ATOM 0 H VAL A 74 68.606 -2.990 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 74 69.222 -1.970 0.236 1.00 0.00 H new ATOM 0 HB VAL A 74 67.055 -2.634 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.270 -4.802 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.147 -3.803 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 67.953 -5.195 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.717 -4.678 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.445 -5.060 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.949 -3.579 2.048 1.00 0.00 H new ATOM 1227 N MET A 75 71.399 -3.184 0.347 1.00 0.00 N ATOM 1228 CA MET A 75 72.548 -3.938 0.850 1.00 0.00 C ATOM 1229 C MET A 75 72.451 -4.055 2.376 1.00 0.00 C ATOM 1230 O MET A 75 72.114 -3.098 3.059 1.00 0.00 O ATOM 1231 CB MET A 75 73.831 -3.210 0.414 1.00 0.00 C ATOM 1232 CG MET A 75 75.055 -3.524 1.287 1.00 0.00 C ATOM 1233 SD MET A 75 76.593 -3.155 0.427 1.00 0.00 S ATOM 1234 CE MET A 75 77.665 -2.892 1.852 1.00 0.00 C ATOM 0 H MET A 75 71.527 -2.172 0.339 1.00 0.00 H new ATOM 0 HA MET A 75 72.564 -4.949 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.056 -3.478 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.651 -2.135 0.432 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.004 -2.944 2.208 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.040 -4.576 1.572 1.00 0.00 H new ATOM 0 HE1 MET A 75 78.671 -2.650 1.510 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.277 -2.069 2.452 1.00 0.00 H new ATOM 0 HE3 MET A 75 77.695 -3.798 2.457 1.00 0.00 H new ATOM 1244 N VAL A 76 72.775 -5.269 2.873 1.00 0.00 N ATOM 1245 CA VAL A 76 72.816 -5.503 4.320 1.00 0.00 C ATOM 1246 C VAL A 76 74.085 -6.302 4.645 1.00 0.00 C ATOM 1247 O VAL A 76 74.342 -7.339 4.040 1.00 0.00 O ATOM 1248 CB VAL A 76 71.554 -6.264 4.791 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.530 -6.429 6.328 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.247 -5.645 4.255 1.00 0.00 C ATOM 0 H VAL A 76 73.006 -6.082 2.302 1.00 0.00 H new ATOM 0 HA VAL A 76 72.835 -4.549 4.846 1.00 0.00 H new ATOM 0 HB VAL A 76 71.614 -7.262 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.629 -6.968 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.409 -6.989 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.535 -5.446 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.396 -6.221 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.163 -4.615 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.257 -5.661 3.165 1.00 0.00 H new