USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 180:sc= 0.242 USER MOD Set 1.2: A 70 SER OG : rot -128:sc= 0.117 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.153 (180deg=-0.98) USER MOD Single : A 1 MET N :NH3+ -131:sc= -1.35 (180deg=-1.76) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.029 (180deg=-0.418) USER MOD Single : A 28 MET CE :methyl -134:sc= -0.166 (180deg=-1.07) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.0339 (180deg=-0.458) USER MOD Single : A 33 GLN : amide:sc= -2.95! C(o=-2.9!,f=-3.8!) USER MOD Single : A 39 MET CE :methyl -138:sc= -0.183 (180deg=-1.03) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0508 (180deg=-0.458) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= -0.723 (180deg=-2.79!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0143) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc=-0.00447 (180deg=-0.239) USER MOD Single : A 64 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 71 THR OG1 : rot -97:sc= 0.146 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 77 THR OG1 : rot -34:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.898 1.399 -10.562 1.00 0.00 N ATOM 2 CA MET A 1 70.610 0.655 -10.643 1.00 0.00 C ATOM 3 C MET A 1 70.870 -0.836 -10.465 1.00 0.00 C ATOM 4 O MET A 1 71.237 -1.529 -11.415 1.00 0.00 O ATOM 5 CB MET A 1 69.958 0.909 -12.005 1.00 0.00 C ATOM 6 CG MET A 1 68.610 0.185 -12.067 1.00 0.00 C ATOM 7 SD MET A 1 67.774 0.585 -13.624 1.00 0.00 S ATOM 8 CE MET A 1 68.927 -0.268 -14.733 1.00 0.00 C ATOM 0 H1 MET A 1 71.797 2.198 -9.904 1.00 0.00 H new ATOM 0 H2 MET A 1 72.646 0.762 -10.221 1.00 0.00 H new ATOM 0 H3 MET A 1 72.152 1.757 -11.505 1.00 0.00 H new ATOM 0 HA MET A 1 69.941 0.999 -9.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.816 1.979 -12.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.610 0.556 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.761 -0.892 -11.990 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.988 0.481 -11.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.412 -0.538 -15.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.764 0.391 -14.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.299 -1.170 -14.247 1.00 0.00 H new ATOM 20 N TYR A 2 70.680 -1.328 -9.240 1.00 0.00 N ATOM 21 CA TYR A 2 70.893 -2.745 -8.934 1.00 0.00 C ATOM 22 C TYR A 2 69.636 -3.321 -8.288 1.00 0.00 C ATOM 23 O TYR A 2 68.901 -2.607 -7.605 1.00 0.00 O ATOM 24 CB TYR A 2 72.098 -2.905 -7.986 1.00 0.00 C ATOM 25 CG TYR A 2 72.724 -4.285 -8.154 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.246 -5.374 -7.409 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.788 -4.471 -9.058 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.823 -6.640 -7.566 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.362 -5.739 -9.210 1.00 0.00 C ATOM 30 CZ TYR A 2 73.880 -6.823 -8.465 1.00 0.00 C ATOM 31 OH TYR A 2 74.439 -8.074 -8.622 1.00 0.00 O ATOM 0 H TYR A 2 70.379 -0.767 -8.443 1.00 0.00 H new ATOM 0 HA TYR A 2 71.101 -3.286 -9.857 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.839 -2.134 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.778 -2.767 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.432 -5.235 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.161 -3.636 -9.633 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.452 -7.477 -6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.178 -5.882 -9.903 1.00 0.00 H new ATOM 0 HH TYR A 2 75.160 -8.029 -9.284 1.00 0.00 H new ATOM 41 N GLU A 3 69.390 -4.612 -8.514 1.00 0.00 N ATOM 42 CA GLU A 3 68.207 -5.278 -7.952 1.00 0.00 C ATOM 43 C GLU A 3 68.626 -6.425 -7.043 1.00 0.00 C ATOM 44 O GLU A 3 69.420 -7.283 -7.434 1.00 0.00 O ATOM 45 CB GLU A 3 67.311 -5.809 -9.077 1.00 0.00 C ATOM 46 CG GLU A 3 66.674 -4.637 -9.835 1.00 0.00 C ATOM 47 CD GLU A 3 65.821 -5.163 -10.984 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.789 -6.369 -11.169 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.215 -4.353 -11.665 1.00 0.00 O ATOM 0 H GLU A 3 69.987 -5.217 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 3 67.648 -4.549 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.897 -6.421 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.534 -6.451 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.060 -4.045 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.451 -3.977 -10.220 1.00 0.00 H new ATOM 56 N PHE A 4 68.093 -6.433 -5.823 1.00 0.00 N ATOM 57 CA PHE A 4 68.422 -7.486 -4.858 1.00 0.00 C ATOM 58 C PHE A 4 67.489 -8.678 -5.046 1.00 0.00 C ATOM 59 O PHE A 4 66.267 -8.532 -5.043 1.00 0.00 O ATOM 60 CB PHE A 4 68.339 -6.928 -3.414 1.00 0.00 C ATOM 61 CG PHE A 4 68.136 -8.029 -2.371 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.791 -9.274 -2.482 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.264 -7.798 -1.286 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.582 -10.262 -1.516 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.060 -8.797 -0.326 1.00 0.00 C ATOM 66 CZ PHE A 4 67.719 -10.028 -0.445 1.00 0.00 C ATOM 0 H PHE A 4 67.438 -5.731 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 4 69.443 -7.827 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.254 -6.381 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.517 -6.215 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.454 -9.463 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.754 -6.850 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.091 -11.211 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.395 -8.619 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.558 -10.798 0.295 1.00 0.00 H new ATOM 76 N LYS A 5 68.082 -9.857 -5.224 1.00 0.00 N ATOM 77 CA LYS A 5 67.319 -11.090 -5.430 1.00 0.00 C ATOM 78 C LYS A 5 67.630 -12.091 -4.326 1.00 0.00 C ATOM 79 O LYS A 5 68.793 -12.310 -3.986 1.00 0.00 O ATOM 80 CB LYS A 5 67.678 -11.694 -6.794 1.00 0.00 C ATOM 81 CG LYS A 5 66.867 -12.970 -7.035 1.00 0.00 C ATOM 82 CD LYS A 5 67.228 -13.559 -8.399 1.00 0.00 C ATOM 83 CE LYS A 5 66.401 -14.822 -8.633 1.00 0.00 C ATOM 84 NZ LYS A 5 66.726 -15.400 -9.967 1.00 0.00 N ATOM 0 H LYS A 5 69.094 -9.986 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 5 66.254 -10.858 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.477 -10.971 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 5 68.744 -11.919 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.071 -13.697 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 5 65.801 -12.748 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.033 -12.831 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 68.292 -13.794 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.607 -15.552 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.338 -14.587 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.160 -16.259 -10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.508 -14.705 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 67.737 -15.640 -10.004 1.00 0.00 H new ATOM 98 N LEU A 6 66.590 -12.700 -3.767 1.00 0.00 N ATOM 99 CA LEU A 6 66.795 -13.681 -2.700 1.00 0.00 C ATOM 100 C LEU A 6 67.594 -14.869 -3.253 1.00 0.00 C ATOM 101 O LEU A 6 67.174 -15.482 -4.236 1.00 0.00 O ATOM 102 CB LEU A 6 65.448 -14.187 -2.146 1.00 0.00 C ATOM 103 CG LEU A 6 65.679 -15.027 -0.872 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.806 -14.113 0.355 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.491 -15.971 -0.656 1.00 0.00 C ATOM 0 H LEU A 6 65.616 -12.539 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 6 67.343 -13.201 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.798 -13.341 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.939 -14.788 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 6 66.598 -15.599 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.969 -14.720 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.649 -13.436 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.891 -13.533 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.656 -16.563 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.578 -15.387 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.393 -16.635 -1.515 1.00 0.00 H new ATOM 117 N PRO A 7 68.731 -15.216 -2.680 1.00 0.00 N ATOM 118 CA PRO A 7 69.547 -16.354 -3.190 1.00 0.00 C ATOM 119 C PRO A 7 68.908 -17.700 -2.863 1.00 0.00 C ATOM 120 O PRO A 7 68.231 -17.844 -1.846 1.00 0.00 O ATOM 121 CB PRO A 7 70.897 -16.168 -2.485 1.00 0.00 C ATOM 122 CG PRO A 7 70.555 -15.511 -1.189 1.00 0.00 C ATOM 123 CD PRO A 7 69.367 -14.590 -1.491 1.00 0.00 C ATOM 0 HA PRO A 7 69.640 -16.357 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.397 -17.124 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.572 -15.550 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.294 -16.251 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.402 -14.944 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.677 -14.537 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.693 -13.571 -1.701 1.00 0.00 H new ATOM 221 N GLU A 15 59.060 -20.839 -2.348 1.00 0.00 N ATOM 222 CA GLU A 15 58.349 -19.701 -1.746 1.00 0.00 C ATOM 223 C GLU A 15 59.262 -18.899 -0.827 1.00 0.00 C ATOM 224 O GLU A 15 60.094 -19.458 -0.113 1.00 0.00 O ATOM 225 CB GLU A 15 57.128 -20.203 -0.971 1.00 0.00 C ATOM 226 CG GLU A 15 56.202 -19.029 -0.618 1.00 0.00 C ATOM 227 CD GLU A 15 56.832 -18.168 0.471 1.00 0.00 C ATOM 228 OE1 GLU A 15 57.533 -18.721 1.304 1.00 0.00 O ATOM 229 OE2 GLU A 15 56.611 -16.969 0.454 1.00 0.00 O ATOM 0 HA GLU A 15 58.022 -19.041 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.586 -20.936 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.449 -20.708 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.015 -18.425 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.237 -19.407 -0.280 1.00 0.00 H new ATOM 236 N GLY A 16 59.081 -17.572 -0.843 1.00 0.00 N ATOM 237 CA GLY A 16 59.874 -16.671 -0.003 1.00 0.00 C ATOM 238 C GLY A 16 58.955 -15.868 0.918 1.00 0.00 C ATOM 239 O GLY A 16 58.097 -15.122 0.442 1.00 0.00 O ATOM 0 H GLY A 16 58.392 -17.101 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.585 -17.246 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.455 -15.995 -0.629 1.00 0.00 H new ATOM 243 N GLU A 17 59.128 -16.019 2.237 1.00 0.00 N ATOM 244 CA GLU A 17 58.295 -15.298 3.207 1.00 0.00 C ATOM 245 C GLU A 17 59.152 -14.390 4.082 1.00 0.00 C ATOM 246 O GLU A 17 60.223 -14.784 4.545 1.00 0.00 O ATOM 247 CB GLU A 17 57.552 -16.307 4.089 1.00 0.00 C ATOM 248 CG GLU A 17 56.632 -15.572 5.069 1.00 0.00 C ATOM 249 CD GLU A 17 55.863 -16.577 5.918 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.262 -17.730 5.944 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.894 -16.176 6.542 1.00 0.00 O ATOM 0 H GLU A 17 59.831 -16.629 2.654 1.00 0.00 H new ATOM 0 HA GLU A 17 57.578 -14.682 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.967 -16.984 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.268 -16.918 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.221 -14.917 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.935 -14.939 4.520 1.00 0.00 H new ATOM 258 N ILE A 18 58.672 -13.165 4.297 1.00 0.00 N ATOM 259 CA ILE A 18 59.395 -12.184 5.114 1.00 0.00 C ATOM 260 C ILE A 18 58.798 -12.089 6.517 1.00 0.00 C ATOM 261 O ILE A 18 57.624 -11.757 6.682 1.00 0.00 O ATOM 262 CB ILE A 18 59.316 -10.811 4.430 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.065 -10.848 3.080 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.918 -9.735 5.337 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.583 -10.659 3.270 1.00 0.00 C ATOM 0 H ILE A 18 57.787 -12.827 3.919 1.00 0.00 H new ATOM 0 HA ILE A 18 60.433 -12.503 5.207 1.00 0.00 H new ATOM 0 HB ILE A 18 58.269 -10.569 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.875 -11.800 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.679 -10.065 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.857 -8.766 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.365 -9.699 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.962 -9.973 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.078 -10.691 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.773 -9.696 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.973 -11.457 3.902 1.00 0.00 H new ATOM 277 N VAL A 19 59.617 -12.383 7.530 1.00 0.00 N ATOM 278 CA VAL A 19 59.162 -12.329 8.919 1.00 0.00 C ATOM 279 C VAL A 19 59.378 -10.941 9.537 1.00 0.00 C ATOM 280 O VAL A 19 58.485 -10.413 10.198 1.00 0.00 O ATOM 281 CB VAL A 19 59.905 -13.390 9.744 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.368 -12.970 9.936 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.226 -13.550 11.114 1.00 0.00 C ATOM 0 H VAL A 19 60.592 -12.659 7.415 1.00 0.00 H new ATOM 0 HA VAL A 19 58.091 -12.531 8.930 1.00 0.00 H new ATOM 0 HB VAL A 19 59.874 -14.342 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.890 -13.727 10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.848 -12.870 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.407 -12.015 10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.756 -14.304 11.697 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.249 -12.598 11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.191 -13.862 10.973 1.00 0.00 H new ATOM 293 N ARG A 20 60.564 -10.349 9.339 1.00 0.00 N ATOM 294 CA ARG A 20 60.847 -9.024 9.918 1.00 0.00 C ATOM 295 C ARG A 20 61.699 -8.145 8.995 1.00 0.00 C ATOM 296 O ARG A 20 62.563 -8.633 8.268 1.00 0.00 O ATOM 297 CB ARG A 20 61.585 -9.191 11.250 1.00 0.00 C ATOM 298 CG ARG A 20 60.634 -9.743 12.314 1.00 0.00 C ATOM 299 CD ARG A 20 61.405 -9.944 13.619 1.00 0.00 C ATOM 300 NE ARG A 20 60.522 -10.445 14.666 1.00 0.00 N ATOM 301 CZ ARG A 20 61.000 -10.774 15.861 1.00 0.00 C ATOM 302 NH1 ARG A 20 62.280 -10.674 16.100 1.00 0.00 N ATOM 303 NH2 ARG A 20 60.193 -11.201 16.794 1.00 0.00 N ATOM 0 H ARG A 20 61.328 -10.753 8.796 1.00 0.00 H new ATOM 0 HA ARG A 20 59.886 -8.530 10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.432 -9.866 11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 20 61.988 -8.231 11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.804 -9.054 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.205 -10.688 11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.223 -10.646 13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.851 -9.000 13.933 1.00 0.00 H new ATOM 0 HE ARG A 20 59.524 -10.544 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 20 62.911 -10.344 15.370 1.00 0.00 H new ATOM 0 HH12 ARG A 20 62.649 -10.926 17.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.194 -11.282 16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 20 60.562 -11.453 17.711 1.00 0.00 H new ATOM 317 N TRP A 21 61.465 -6.829 9.083 1.00 0.00 N ATOM 318 CA TRP A 21 62.224 -5.827 8.315 1.00 0.00 C ATOM 319 C TRP A 21 62.946 -4.914 9.317 1.00 0.00 C ATOM 320 O TRP A 21 62.396 -4.620 10.379 1.00 0.00 O ATOM 321 CB TRP A 21 61.277 -4.952 7.455 1.00 0.00 C ATOM 322 CG TRP A 21 60.937 -5.598 6.143 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.686 -5.948 5.772 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.807 -5.931 5.014 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.725 -6.481 4.497 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.011 -6.501 3.988 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.192 -5.808 4.779 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.567 -6.928 2.779 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.751 -6.236 3.562 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.942 -6.793 2.566 1.00 0.00 C ATOM 0 H TRP A 21 60.747 -6.428 9.686 1.00 0.00 H new ATOM 0 HA TRP A 21 62.924 -6.338 7.654 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.359 -4.759 8.011 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.747 -3.986 7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.798 -5.830 6.375 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.905 -6.819 3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.829 -5.382 5.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.938 -7.360 2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.813 -6.134 3.395 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.379 -7.118 1.634 1.00 0.00 H new ATOM 341 N ASP A 22 64.162 -4.453 8.990 1.00 0.00 N ATOM 342 CA ASP A 22 64.907 -3.561 9.899 1.00 0.00 C ATOM 343 C ASP A 22 65.308 -2.257 9.207 1.00 0.00 C ATOM 344 O ASP A 22 66.123 -1.500 9.734 1.00 0.00 O ATOM 345 CB ASP A 22 66.163 -4.260 10.423 1.00 0.00 C ATOM 346 CG ASP A 22 65.768 -5.346 11.419 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.101 -6.283 11.007 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.134 -5.229 12.576 1.00 0.00 O ATOM 0 H ASP A 22 64.646 -4.676 8.120 1.00 0.00 H new ATOM 0 HA ASP A 22 64.245 -3.322 10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.720 -4.698 9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.821 -3.535 10.902 1.00 0.00 H new ATOM 353 N VAL A 23 64.733 -1.986 8.036 1.00 0.00 N ATOM 354 CA VAL A 23 65.050 -0.752 7.302 1.00 0.00 C ATOM 355 C VAL A 23 63.774 -0.075 6.804 1.00 0.00 C ATOM 356 O VAL A 23 62.748 -0.724 6.610 1.00 0.00 O ATOM 357 CB VAL A 23 65.977 -1.077 6.121 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.076 -2.033 6.597 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.178 -1.742 4.990 1.00 0.00 C ATOM 0 H VAL A 23 64.054 -2.592 7.576 1.00 0.00 H new ATOM 0 HA VAL A 23 65.557 -0.063 7.977 1.00 0.00 H new ATOM 0 HB VAL A 23 66.421 -0.155 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.739 -2.269 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.649 -1.560 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.623 -2.951 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.845 -1.968 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.729 -2.665 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.393 -1.065 4.652 1.00 0.00 H new ATOM 369 N LYS A 24 63.853 1.241 6.601 1.00 0.00 N ATOM 370 CA LYS A 24 62.708 2.024 6.128 1.00 0.00 C ATOM 371 C LYS A 24 63.061 2.734 4.825 1.00 0.00 C ATOM 372 O LYS A 24 64.229 3.016 4.562 1.00 0.00 O ATOM 373 CB LYS A 24 62.327 3.059 7.188 1.00 0.00 C ATOM 374 CG LYS A 24 61.827 2.346 8.447 1.00 0.00 C ATOM 375 CD LYS A 24 61.443 3.394 9.494 1.00 0.00 C ATOM 376 CE LYS A 24 60.854 2.705 10.726 1.00 0.00 C ATOM 377 NZ LYS A 24 61.876 1.807 11.337 1.00 0.00 N ATOM 0 H LYS A 24 64.699 1.789 6.757 1.00 0.00 H new ATOM 0 HA LYS A 24 61.867 1.354 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.189 3.682 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.553 3.722 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.967 1.720 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.602 1.688 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.320 3.977 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.718 4.091 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.531 3.451 11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 24 59.972 2.130 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.583 1.554 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.966 0.943 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 62.793 2.297 11.370 1.00 0.00 H new ATOM 391 N GLU A 25 62.056 3.020 4.010 1.00 0.00 N ATOM 392 CA GLU A 25 62.304 3.698 2.741 1.00 0.00 C ATOM 393 C GLU A 25 62.858 5.097 2.988 1.00 0.00 C ATOM 394 O GLU A 25 62.290 5.873 3.758 1.00 0.00 O ATOM 395 CB GLU A 25 61.014 3.783 1.914 1.00 0.00 C ATOM 396 CG GLU A 25 59.844 4.169 2.817 1.00 0.00 C ATOM 397 CD GLU A 25 58.619 4.498 1.970 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.420 3.833 0.967 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.902 5.416 2.333 1.00 0.00 O ATOM 0 H GLU A 25 61.078 2.799 4.197 1.00 0.00 H new ATOM 0 HA GLU A 25 63.040 3.120 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.129 4.519 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.815 2.824 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.615 3.351 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.115 5.029 3.429 1.00 0.00 H new ATOM 406 N GLY A 26 63.967 5.417 2.318 1.00 0.00 N ATOM 407 CA GLY A 26 64.593 6.730 2.457 1.00 0.00 C ATOM 408 C GLY A 26 65.679 6.731 3.534 1.00 0.00 C ATOM 409 O GLY A 26 66.244 7.779 3.844 1.00 0.00 O ATOM 0 H GLY A 26 64.447 4.786 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 26 65.027 7.028 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.833 7.470 2.707 1.00 0.00 H new ATOM 413 N ASP A 27 65.981 5.556 4.094 1.00 0.00 N ATOM 414 CA ASP A 27 67.018 5.457 5.130 1.00 0.00 C ATOM 415 C ASP A 27 68.319 4.908 4.541 1.00 0.00 C ATOM 416 O ASP A 27 68.306 4.165 3.561 1.00 0.00 O ATOM 417 CB ASP A 27 66.556 4.551 6.277 1.00 0.00 C ATOM 418 CG ASP A 27 66.502 3.095 5.823 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.622 2.857 4.633 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.339 2.239 6.677 1.00 0.00 O ATOM 0 H ASP A 27 65.532 4.672 3.854 1.00 0.00 H new ATOM 0 HA ASP A 27 67.196 6.460 5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.237 4.649 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.572 4.866 6.623 1.00 0.00 H new ATOM 425 N MET A 28 69.441 5.291 5.149 1.00 0.00 N ATOM 426 CA MET A 28 70.759 4.847 4.691 1.00 0.00 C ATOM 427 C MET A 28 71.169 3.560 5.405 1.00 0.00 C ATOM 428 O MET A 28 70.805 3.343 6.562 1.00 0.00 O ATOM 429 CB MET A 28 71.797 5.937 4.977 1.00 0.00 C ATOM 430 CG MET A 28 71.443 7.209 4.201 1.00 0.00 C ATOM 431 SD MET A 28 71.550 6.898 2.417 1.00 0.00 S ATOM 432 CE MET A 28 73.348 6.677 2.308 1.00 0.00 C ATOM 0 H MET A 28 69.465 5.908 5.961 1.00 0.00 H new ATOM 0 HA MET A 28 70.708 4.656 3.619 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.829 6.149 6.046 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.790 5.590 4.691 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.436 7.536 4.462 1.00 0.00 H new ATOM 0 HG3 MET A 28 72.122 8.015 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.734 7.246 1.462 1.00 0.00 H new ATOM 0 HE2 MET A 28 73.815 7.032 3.227 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.577 5.620 2.169 1.00 0.00 H new ATOM 442 N VAL A 29 71.941 2.720 4.713 1.00 0.00 N ATOM 443 CA VAL A 29 72.421 1.457 5.286 1.00 0.00 C ATOM 444 C VAL A 29 73.863 1.210 4.851 1.00 0.00 C ATOM 445 O VAL A 29 74.234 1.509 3.715 1.00 0.00 O ATOM 446 CB VAL A 29 71.514 0.291 4.852 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.775 -0.091 3.390 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.791 -0.929 5.739 1.00 0.00 C ATOM 0 H VAL A 29 72.248 2.890 3.755 1.00 0.00 H new ATOM 0 HA VAL A 29 72.388 1.524 6.373 1.00 0.00 H new ATOM 0 HB VAL A 29 70.476 0.608 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.122 -0.917 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.573 0.767 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.815 -0.395 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.149 -1.755 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.835 -1.224 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.585 -0.677 6.779 1.00 0.00 H new ATOM 458 N GLU A 30 74.680 0.687 5.766 1.00 0.00 N ATOM 459 CA GLU A 30 76.096 0.428 5.481 1.00 0.00 C ATOM 460 C GLU A 30 76.378 -1.072 5.389 1.00 0.00 C ATOM 461 O GLU A 30 75.607 -1.891 5.891 1.00 0.00 O ATOM 462 CB GLU A 30 76.955 1.047 6.591 1.00 0.00 C ATOM 463 CG GLU A 30 76.770 2.566 6.598 1.00 0.00 C ATOM 464 CD GLU A 30 77.394 3.184 5.351 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.079 2.470 4.637 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.166 4.360 5.119 1.00 0.00 O ATOM 0 H GLU A 30 74.388 0.434 6.710 1.00 0.00 H new ATOM 0 HA GLU A 30 76.343 0.878 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.672 0.632 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.005 0.799 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.708 2.809 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 30 77.229 2.990 7.491 1.00 0.00 H new ATOM 473 N LYS A 31 77.490 -1.421 4.744 1.00 0.00 N ATOM 474 CA LYS A 31 77.876 -2.819 4.585 1.00 0.00 C ATOM 475 C LYS A 31 78.058 -3.475 5.954 1.00 0.00 C ATOM 476 O LYS A 31 78.640 -2.880 6.860 1.00 0.00 O ATOM 477 CB LYS A 31 79.182 -2.906 3.785 1.00 0.00 C ATOM 478 CG LYS A 31 79.502 -4.366 3.455 1.00 0.00 C ATOM 479 CD LYS A 31 80.742 -4.428 2.563 1.00 0.00 C ATOM 480 CE LYS A 31 81.049 -5.887 2.222 1.00 0.00 C ATOM 481 NZ LYS A 31 79.954 -6.439 1.374 1.00 0.00 N ATOM 0 H LYS A 31 78.138 -0.754 4.324 1.00 0.00 H new ATOM 0 HA LYS A 31 77.089 -3.346 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.093 -2.328 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.999 -2.468 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.673 -4.928 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.655 -4.830 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.576 -3.857 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.593 -3.975 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 31 82.001 -5.956 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.146 -6.473 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.297 -7.280 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 79.148 -6.702 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 79.652 -5.720 0.686 1.00 0.00 H new ATOM 495 N ASP A 32 77.540 -4.695 6.098 1.00 0.00 N ATOM 496 CA ASP A 32 77.641 -5.422 7.364 1.00 0.00 C ATOM 497 C ASP A 32 76.990 -4.640 8.504 1.00 0.00 C ATOM 498 O ASP A 32 77.394 -4.767 9.661 1.00 0.00 O ATOM 499 CB ASP A 32 79.109 -5.708 7.703 1.00 0.00 C ATOM 500 CG ASP A 32 79.668 -6.770 6.763 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.879 -7.441 6.118 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.879 -6.896 6.700 1.00 0.00 O ATOM 0 H ASP A 32 77.049 -5.198 5.359 1.00 0.00 H new ATOM 0 HA ASP A 32 77.110 -6.367 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.695 -4.792 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.192 -6.046 8.736 1.00 0.00 H new ATOM 507 N GLN A 33 75.971 -3.840 8.178 1.00 0.00 N ATOM 508 CA GLN A 33 75.259 -3.052 9.186 1.00 0.00 C ATOM 509 C GLN A 33 73.749 -3.101 8.934 1.00 0.00 C ATOM 510 O GLN A 33 73.177 -2.166 8.373 1.00 0.00 O ATOM 511 CB GLN A 33 75.754 -1.598 9.132 1.00 0.00 C ATOM 512 CG GLN A 33 75.450 -0.883 10.451 1.00 0.00 C ATOM 513 CD GLN A 33 73.951 -0.628 10.577 1.00 0.00 C ATOM 514 OE1 GLN A 33 73.218 -1.478 11.081 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.450 0.499 10.154 1.00 0.00 N ATOM 0 H GLN A 33 75.622 -3.722 7.227 1.00 0.00 H new ATOM 0 HA GLN A 33 75.456 -3.470 10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.827 -1.579 8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.272 -1.073 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.795 -1.488 11.289 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.992 0.062 10.495 1.00 0.00 H new ATOM 0 HE21 GLN A 33 74.059 1.203 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 33 72.449 0.677 10.241 1.00 0.00 H new ATOM 524 N ASP A 34 73.110 -4.198 9.348 1.00 0.00 N ATOM 525 CA ASP A 34 71.675 -4.358 9.152 1.00 0.00 C ATOM 526 C ASP A 34 71.190 -5.621 9.853 1.00 0.00 C ATOM 527 O ASP A 34 71.973 -6.331 10.486 1.00 0.00 O ATOM 528 CB ASP A 34 71.365 -4.459 7.655 1.00 0.00 C ATOM 529 CG ASP A 34 69.859 -4.398 7.423 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.162 -3.912 8.298 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.424 -4.844 6.374 1.00 0.00 O ATOM 0 H ASP A 34 73.564 -4.982 9.818 1.00 0.00 H new ATOM 0 HA ASP A 34 71.163 -3.493 9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.856 -3.647 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.764 -5.391 7.256 1.00 0.00 H new ATOM 536 N LEU A 35 69.898 -5.906 9.730 1.00 0.00 N ATOM 537 CA LEU A 35 69.321 -7.095 10.347 1.00 0.00 C ATOM 538 C LEU A 35 68.081 -7.545 9.585 1.00 0.00 C ATOM 539 O LEU A 35 66.992 -7.018 9.786 1.00 0.00 O ATOM 540 CB LEU A 35 68.967 -6.798 11.808 1.00 0.00 C ATOM 541 CG LEU A 35 68.242 -7.992 12.445 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.084 -9.268 12.295 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.026 -7.706 13.936 1.00 0.00 C ATOM 0 H LEU A 35 69.233 -5.333 9.211 1.00 0.00 H new ATOM 0 HA LEU A 35 70.054 -7.901 10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.875 -6.576 12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.335 -5.912 11.861 1.00 0.00 H new ATOM 0 HG LEU A 35 67.285 -8.137 11.945 1.00 0.00 H new ATOM 0 HD11 LEU A 35 68.558 -10.107 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.247 -9.474 11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.045 -9.130 12.790 1.00 0.00 H new ATOM 0 HD21 LEU A 35 67.511 -8.549 14.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 68.991 -7.560 14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 35 67.422 -6.806 14.050 1.00 0.00 H new ATOM 555 N VAL A 36 68.257 -8.525 8.707 1.00 0.00 N ATOM 556 CA VAL A 36 67.150 -9.059 7.905 1.00 0.00 C ATOM 557 C VAL A 36 66.986 -10.553 8.175 1.00 0.00 C ATOM 558 O VAL A 36 67.950 -11.315 8.108 1.00 0.00 O ATOM 559 CB VAL A 36 67.428 -8.796 6.404 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.941 -8.799 6.154 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.767 -9.878 5.528 1.00 0.00 C ATOM 0 H VAL A 36 69.157 -8.971 8.528 1.00 0.00 H new ATOM 0 HA VAL A 36 66.221 -8.559 8.181 1.00 0.00 H new ATOM 0 HB VAL A 36 67.008 -7.825 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.136 -8.614 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.410 -8.018 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.354 -9.768 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.975 -9.673 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.168 -10.856 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.689 -9.871 5.692 1.00 0.00 H new ATOM 571 N GLU A 37 65.751 -10.971 8.453 1.00 0.00 N ATOM 572 CA GLU A 37 65.460 -12.386 8.704 1.00 0.00 C ATOM 573 C GLU A 37 64.556 -12.932 7.608 1.00 0.00 C ATOM 574 O GLU A 37 63.452 -12.434 7.393 1.00 0.00 O ATOM 575 CB GLU A 37 64.786 -12.565 10.073 1.00 0.00 C ATOM 576 CG GLU A 37 65.777 -12.220 11.195 1.00 0.00 C ATOM 577 CD GLU A 37 65.852 -10.712 11.395 1.00 0.00 C ATOM 578 OE1 GLU A 37 65.249 -9.998 10.613 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.492 -10.296 12.345 1.00 0.00 O ATOM 0 H GLU A 37 64.939 -10.356 8.510 1.00 0.00 H new ATOM 0 HA GLU A 37 66.400 -12.938 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.908 -11.923 10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.440 -13.592 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 37 65.467 -12.701 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.765 -12.610 10.949 1.00 0.00 H new ATOM 586 N VAL A 38 65.038 -13.957 6.908 1.00 0.00 N ATOM 587 CA VAL A 38 64.278 -14.576 5.824 1.00 0.00 C ATOM 588 C VAL A 38 64.034 -16.050 6.133 1.00 0.00 C ATOM 589 O VAL A 38 64.944 -16.767 6.564 1.00 0.00 O ATOM 590 CB VAL A 38 65.045 -14.440 4.506 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.082 -12.973 4.072 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.479 -14.933 4.696 1.00 0.00 C ATOM 0 H VAL A 38 65.953 -14.377 7.072 1.00 0.00 H new ATOM 0 HA VAL A 38 63.317 -14.070 5.731 1.00 0.00 H new ATOM 0 HB VAL A 38 64.543 -15.035 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.629 -12.885 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.064 -12.609 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.579 -12.379 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.024 -14.836 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.970 -14.336 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.467 -15.979 5.002 1.00 0.00 H new ATOM 602 N MET A 39 62.792 -16.490 5.923 1.00 0.00 N ATOM 603 CA MET A 39 62.406 -17.877 6.183 1.00 0.00 C ATOM 604 C MET A 39 61.675 -18.458 4.979 1.00 0.00 C ATOM 605 O MET A 39 60.732 -17.860 4.461 1.00 0.00 O ATOM 606 CB MET A 39 61.507 -17.930 7.425 1.00 0.00 C ATOM 607 CG MET A 39 60.167 -17.254 7.128 1.00 0.00 C ATOM 608 SD MET A 39 59.274 -16.987 8.681 1.00 0.00 S ATOM 609 CE MET A 39 59.033 -18.724 9.126 1.00 0.00 C ATOM 0 H MET A 39 62.035 -15.903 5.573 1.00 0.00 H new ATOM 0 HA MET A 39 63.302 -18.472 6.360 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.344 -18.966 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 39 61.998 -17.432 8.261 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.331 -16.303 6.621 1.00 0.00 H new ATOM 0 HG3 MET A 39 59.574 -17.875 6.456 1.00 0.00 H new ATOM 0 HE1 MET A 39 58.022 -18.865 9.508 1.00 0.00 H new ATOM 0 HE2 MET A 39 59.178 -19.349 8.245 1.00 0.00 H new ATOM 0 HE3 MET A 39 59.754 -19.006 9.893 1.00 0.00 H new ATOM 619 N THR A 40 62.119 -19.627 4.535 1.00 0.00 N ATOM 620 CA THR A 40 61.496 -20.281 3.389 1.00 0.00 C ATOM 621 C THR A 40 60.137 -20.854 3.780 1.00 0.00 C ATOM 622 O THR A 40 59.164 -20.737 3.035 1.00 0.00 O ATOM 623 CB THR A 40 62.399 -21.407 2.855 1.00 0.00 C ATOM 624 OG1 THR A 40 61.588 -22.453 2.334 1.00 0.00 O ATOM 625 CG2 THR A 40 63.270 -21.961 3.987 1.00 0.00 C ATOM 0 H THR A 40 62.900 -20.138 4.945 1.00 0.00 H new ATOM 0 HA THR A 40 61.357 -19.537 2.605 1.00 0.00 H new ATOM 0 HB THR A 40 63.041 -21.008 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.160 -23.171 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.906 -22.757 3.600 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.893 -21.163 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.632 -22.357 4.777 1.00 0.00 H new ATOM 633 N ASP A 41 60.082 -21.481 4.950 1.00 0.00 N ATOM 634 CA ASP A 41 58.830 -22.080 5.429 1.00 0.00 C ATOM 635 C ASP A 41 58.833 -22.167 6.951 1.00 0.00 C ATOM 636 O ASP A 41 58.063 -21.480 7.623 1.00 0.00 O ATOM 637 CB ASP A 41 58.676 -23.479 4.830 1.00 0.00 C ATOM 638 CG ASP A 41 57.258 -23.998 5.044 1.00 0.00 C ATOM 639 OD1 ASP A 41 56.389 -23.194 5.340 1.00 0.00 O ATOM 640 OD2 ASP A 41 57.060 -25.192 4.898 1.00 0.00 O ATOM 0 H ASP A 41 60.876 -21.590 5.581 1.00 0.00 H new ATOM 0 HA ASP A 41 57.993 -21.455 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.903 -23.452 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.392 -24.159 5.291 1.00 0.00 H new ATOM 645 N LYS A 42 59.712 -23.010 7.492 1.00 0.00 N ATOM 646 CA LYS A 42 59.823 -23.179 8.947 1.00 0.00 C ATOM 647 C LYS A 42 61.288 -23.122 9.375 1.00 0.00 C ATOM 648 O LYS A 42 61.712 -23.847 10.274 1.00 0.00 O ATOM 649 CB LYS A 42 59.214 -24.518 9.375 1.00 0.00 C ATOM 650 CG LYS A 42 59.916 -25.660 8.637 1.00 0.00 C ATOM 651 CD LYS A 42 59.260 -26.989 9.016 1.00 0.00 C ATOM 652 CE LYS A 42 60.015 -28.144 8.356 1.00 0.00 C ATOM 653 NZ LYS A 42 59.958 -27.998 6.875 1.00 0.00 N ATOM 0 H LYS A 42 60.357 -23.586 6.950 1.00 0.00 H new ATOM 0 HA LYS A 42 59.277 -22.369 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.319 -24.649 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.147 -24.531 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.853 -25.505 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 42 60.975 -25.678 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 42 59.264 -27.111 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.217 -26.995 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 61.052 -28.152 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.576 -29.096 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.224 -28.898 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 58.992 -27.741 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 60.618 -27.253 6.574 1.00 0.00 H new ATOM 667 N VAL A 43 62.059 -22.253 8.717 1.00 0.00 N ATOM 668 CA VAL A 43 63.484 -22.100 9.026 1.00 0.00 C ATOM 669 C VAL A 43 63.837 -20.621 9.127 1.00 0.00 C ATOM 670 O VAL A 43 63.411 -19.817 8.301 1.00 0.00 O ATOM 671 CB VAL A 43 64.320 -22.742 7.921 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.802 -22.672 8.285 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.903 -24.203 7.739 1.00 0.00 C ATOM 0 H VAL A 43 61.723 -21.646 7.969 1.00 0.00 H new ATOM 0 HA VAL A 43 63.695 -22.588 9.977 1.00 0.00 H new ATOM 0 HB VAL A 43 64.154 -22.202 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.393 -23.132 7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.099 -21.630 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.972 -23.205 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.502 -24.657 6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.061 -24.745 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.849 -24.249 7.466 1.00 0.00 H new ATOM 683 N THR A 44 64.614 -20.269 10.147 1.00 0.00 N ATOM 684 CA THR A 44 65.018 -18.869 10.356 1.00 0.00 C ATOM 685 C THR A 44 66.530 -18.723 10.220 1.00 0.00 C ATOM 686 O THR A 44 67.294 -19.344 10.958 1.00 0.00 O ATOM 687 CB THR A 44 64.593 -18.415 11.760 1.00 0.00 C ATOM 688 OG1 THR A 44 63.262 -18.841 12.016 1.00 0.00 O ATOM 689 CG2 THR A 44 64.662 -16.887 11.870 1.00 0.00 C ATOM 0 H THR A 44 64.978 -20.923 10.840 1.00 0.00 H new ATOM 0 HA THR A 44 64.532 -18.251 9.601 1.00 0.00 H new ATOM 0 HB THR A 44 65.271 -18.857 12.490 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.993 -18.552 12.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.358 -16.580 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.683 -16.554 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.994 -16.439 11.134 1.00 0.00 H new ATOM 697 N VAL A 45 66.953 -17.888 9.272 1.00 0.00 N ATOM 698 CA VAL A 45 68.381 -17.644 9.037 1.00 0.00 C ATOM 699 C VAL A 45 68.644 -16.150 8.870 1.00 0.00 C ATOM 700 O VAL A 45 67.749 -15.391 8.497 1.00 0.00 O ATOM 701 CB VAL A 45 68.842 -18.390 7.780 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.819 -19.896 8.039 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.898 -18.059 6.623 1.00 0.00 C ATOM 0 H VAL A 45 66.330 -17.368 8.653 1.00 0.00 H new ATOM 0 HA VAL A 45 68.941 -18.009 9.898 1.00 0.00 H new ATOM 0 HB VAL A 45 69.857 -18.083 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.147 -20.424 7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.488 -20.133 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.805 -20.206 8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.222 -18.587 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.885 -18.368 6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.913 -16.985 6.437 1.00 0.00 H new ATOM 713 N LYS A 46 69.883 -15.738 9.152 1.00 0.00 N ATOM 714 CA LYS A 46 70.280 -14.333 9.042 1.00 0.00 C ATOM 715 C LYS A 46 71.332 -14.165 7.951 1.00 0.00 C ATOM 716 O LYS A 46 72.276 -14.950 7.862 1.00 0.00 O ATOM 717 CB LYS A 46 70.860 -13.858 10.378 1.00 0.00 C ATOM 718 CG LYS A 46 69.758 -13.870 11.439 1.00 0.00 C ATOM 719 CD LYS A 46 70.328 -13.443 12.794 1.00 0.00 C ATOM 720 CE LYS A 46 69.226 -13.533 13.850 1.00 0.00 C ATOM 721 NZ LYS A 46 68.169 -12.525 13.552 1.00 0.00 N ATOM 0 H LYS A 46 70.630 -16.361 9.459 1.00 0.00 H new ATOM 0 HA LYS A 46 69.402 -13.739 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.681 -14.507 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.269 -12.853 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.953 -13.196 11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.327 -14.868 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.166 -14.084 13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.712 -12.424 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.796 -14.535 13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.643 -13.357 14.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.184 -11.781 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.346 -12.102 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.238 -12.988 13.551 1.00 0.00 H new ATOM 735 N ILE A 47 71.165 -13.132 7.120 1.00 0.00 N ATOM 736 CA ILE A 47 72.107 -12.857 6.027 1.00 0.00 C ATOM 737 C ILE A 47 72.456 -11.355 5.993 1.00 0.00 C ATOM 738 O ILE A 47 71.553 -10.518 6.038 1.00 0.00 O ATOM 739 CB ILE A 47 71.469 -13.271 4.692 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.076 -14.750 4.752 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.456 -13.066 3.540 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.254 -15.110 3.512 1.00 0.00 C ATOM 0 H ILE A 47 70.389 -12.473 7.182 1.00 0.00 H new ATOM 0 HA ILE A 47 73.022 -13.427 6.189 1.00 0.00 H new ATOM 0 HB ILE A 47 70.587 -12.654 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.969 -15.373 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.498 -14.947 5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.988 -13.364 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.739 -12.015 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.345 -13.673 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.974 -16.163 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.354 -14.496 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.848 -14.928 2.616 1.00 0.00 H new ATOM 754 N PRO A 48 73.725 -10.987 5.928 1.00 0.00 N ATOM 755 CA PRO A 48 74.145 -9.545 5.902 1.00 0.00 C ATOM 756 C PRO A 48 73.923 -8.890 4.532 1.00 0.00 C ATOM 757 O PRO A 48 74.078 -9.540 3.501 1.00 0.00 O ATOM 758 CB PRO A 48 75.642 -9.621 6.233 1.00 0.00 C ATOM 759 CG PRO A 48 76.079 -10.926 5.665 1.00 0.00 C ATOM 760 CD PRO A 48 74.903 -11.881 5.866 1.00 0.00 C ATOM 0 HA PRO A 48 73.567 -8.933 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.190 -8.790 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.814 -9.578 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.328 -10.829 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.972 -11.293 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.822 -12.593 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 48 75.012 -12.462 6.782 1.00 0.00 H new ATOM 768 N SER A 49 73.584 -7.595 4.533 1.00 0.00 N ATOM 769 CA SER A 49 73.374 -6.866 3.282 1.00 0.00 C ATOM 770 C SER A 49 74.672 -6.881 2.455 1.00 0.00 C ATOM 771 O SER A 49 75.659 -6.274 2.870 1.00 0.00 O ATOM 772 CB SER A 49 72.990 -5.419 3.597 1.00 0.00 C ATOM 773 OG SER A 49 72.781 -4.713 2.381 1.00 0.00 O ATOM 0 H SER A 49 73.451 -7.038 5.377 1.00 0.00 H new ATOM 0 HA SER A 49 72.575 -7.341 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.086 -5.395 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.778 -4.940 4.178 1.00 0.00 H new ATOM 0 HG SER A 49 72.533 -3.786 2.579 1.00 0.00 H new ATOM 779 N PRO A 50 74.730 -7.577 1.331 1.00 0.00 N ATOM 780 CA PRO A 50 75.989 -7.657 0.520 1.00 0.00 C ATOM 781 C PRO A 50 76.397 -6.347 -0.176 1.00 0.00 C ATOM 782 O PRO A 50 77.555 -6.200 -0.564 1.00 0.00 O ATOM 783 CB PRO A 50 75.698 -8.769 -0.505 1.00 0.00 C ATOM 784 CG PRO A 50 74.211 -8.790 -0.650 1.00 0.00 C ATOM 785 CD PRO A 50 73.632 -8.354 0.701 1.00 0.00 C ATOM 0 HA PRO A 50 76.843 -7.862 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.184 -8.562 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.073 -9.732 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.890 -8.116 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.862 -9.787 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.736 -7.747 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.351 -9.213 1.310 1.00 0.00 H new ATOM 793 N VAL A 51 75.465 -5.404 -0.357 1.00 0.00 N ATOM 794 CA VAL A 51 75.796 -4.140 -1.035 1.00 0.00 C ATOM 795 C VAL A 51 75.156 -2.936 -0.330 1.00 0.00 C ATOM 796 O VAL A 51 73.938 -2.884 -0.158 1.00 0.00 O ATOM 797 CB VAL A 51 75.325 -4.220 -2.498 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.026 -3.156 -3.353 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.660 -5.608 -3.051 1.00 0.00 C ATOM 0 H VAL A 51 74.495 -5.486 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 51 76.876 -3.996 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 51 74.250 -4.044 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.678 -3.230 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.794 -2.165 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.104 -3.316 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.330 -5.676 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.737 -5.769 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.152 -6.368 -2.458 1.00 0.00 H new ATOM 809 N ARG A 52 75.986 -1.956 0.064 1.00 0.00 N ATOM 810 CA ARG A 52 75.489 -0.750 0.729 1.00 0.00 C ATOM 811 C ARG A 52 75.189 0.328 -0.315 1.00 0.00 C ATOM 812 O ARG A 52 75.813 0.355 -1.377 1.00 0.00 O ATOM 813 CB ARG A 52 76.536 -0.229 1.727 1.00 0.00 C ATOM 814 CG ARG A 52 77.843 0.106 1.000 1.00 0.00 C ATOM 815 CD ARG A 52 78.845 0.686 2.001 1.00 0.00 C ATOM 816 NE ARG A 52 80.094 1.014 1.323 1.00 0.00 N ATOM 817 CZ ARG A 52 81.201 1.282 2.009 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.167 1.322 3.311 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.315 1.525 1.376 1.00 0.00 N ATOM 0 H ARG A 52 76.997 -1.979 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 52 74.574 -0.994 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.156 0.658 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.721 -0.980 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.254 -0.790 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.654 0.822 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.430 1.579 2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.032 -0.033 2.799 1.00 0.00 H new ATOM 0 HE ARG A 52 80.119 1.038 0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.291 1.148 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.016 1.528 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.336 1.509 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.165 1.731 1.901 1.00 0.00 H new ATOM 833 N GLY A 53 74.246 1.220 -0.013 1.00 0.00 N ATOM 834 CA GLY A 53 73.906 2.287 -0.947 1.00 0.00 C ATOM 835 C GLY A 53 72.727 3.113 -0.437 1.00 0.00 C ATOM 836 O GLY A 53 72.701 3.516 0.726 1.00 0.00 O ATOM 0 H GLY A 53 73.713 1.225 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.770 2.934 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.660 1.859 -1.919 1.00 0.00 H new ATOM 840 N LYS A 54 71.752 3.376 -1.317 1.00 0.00 N ATOM 841 CA LYS A 54 70.578 4.171 -0.945 1.00 0.00 C ATOM 842 C LYS A 54 69.298 3.398 -1.245 1.00 0.00 C ATOM 843 O LYS A 54 69.216 2.682 -2.242 1.00 0.00 O ATOM 844 CB LYS A 54 70.573 5.484 -1.744 1.00 0.00 C ATOM 845 CG LYS A 54 71.769 6.344 -1.329 1.00 0.00 C ATOM 846 CD LYS A 54 71.791 7.623 -2.169 1.00 0.00 C ATOM 847 CE LYS A 54 72.941 8.524 -1.710 1.00 0.00 C ATOM 848 NZ LYS A 54 74.231 7.991 -2.232 1.00 0.00 N ATOM 0 H LYS A 54 71.754 3.052 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 54 70.624 4.386 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.619 5.271 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.644 6.026 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.702 6.593 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.696 5.788 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.910 7.375 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.842 8.150 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.785 9.542 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 54 72.968 8.570 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 75.003 8.640 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 74.414 7.055 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 74.178 7.906 -3.267 1.00 0.00 H new ATOM 862 N ILE A 55 68.295 3.550 -0.376 1.00 0.00 N ATOM 863 CA ILE A 55 67.013 2.864 -0.561 1.00 0.00 C ATOM 864 C ILE A 55 65.997 3.885 -1.078 1.00 0.00 C ATOM 865 O ILE A 55 65.729 4.888 -0.414 1.00 0.00 O ATOM 866 CB ILE A 55 66.533 2.280 0.783 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.722 1.721 1.584 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.529 1.150 0.535 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.514 0.694 0.766 1.00 0.00 C ATOM 0 H ILE A 55 68.344 4.137 0.457 1.00 0.00 H new ATOM 0 HA ILE A 55 67.122 2.047 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 55 66.058 3.080 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.380 2.538 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.359 1.256 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.195 0.744 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.671 1.539 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.005 0.362 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.347 0.319 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.861 -0.135 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.898 1.167 -0.138 1.00 0.00 H new ATOM 881 N VAL A 56 65.459 3.653 -2.274 1.00 0.00 N ATOM 882 CA VAL A 56 64.507 4.598 -2.869 1.00 0.00 C ATOM 883 C VAL A 56 63.056 4.294 -2.475 1.00 0.00 C ATOM 884 O VAL A 56 62.360 5.174 -1.969 1.00 0.00 O ATOM 885 CB VAL A 56 64.662 4.581 -4.406 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.457 5.257 -5.083 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.944 5.331 -4.795 1.00 0.00 C ATOM 0 H VAL A 56 65.660 2.832 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 56 64.736 5.591 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 56 64.716 3.544 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.587 5.234 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.544 4.725 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.385 6.292 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.057 5.321 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.883 6.362 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.804 4.843 -4.336 1.00 0.00 H new ATOM 897 N LYS A 57 62.589 3.069 -2.726 1.00 0.00 N ATOM 898 CA LYS A 57 61.194 2.715 -2.408 1.00 0.00 C ATOM 899 C LYS A 57 61.073 1.279 -1.913 1.00 0.00 C ATOM 900 O LYS A 57 61.878 0.413 -2.259 1.00 0.00 O ATOM 901 CB LYS A 57 60.310 2.873 -3.663 1.00 0.00 C ATOM 902 CG LYS A 57 60.008 4.355 -3.955 1.00 0.00 C ATOM 903 CD LYS A 57 58.795 4.826 -3.141 1.00 0.00 C ATOM 904 CE LYS A 57 58.564 6.318 -3.389 1.00 0.00 C ATOM 905 NZ LYS A 57 58.107 6.530 -4.791 1.00 0.00 N ATOM 0 H LYS A 57 63.139 2.316 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 57 60.864 3.389 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.811 2.426 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 57 59.375 2.331 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 57 60.877 4.965 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 57 59.814 4.490 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.910 4.258 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.963 4.644 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 57 57.819 6.701 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 57 59.485 6.873 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 57.712 7.487 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 58.913 6.422 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 57.377 5.829 -5.028 1.00 0.00 H new ATOM 919 N ILE A 58 60.035 1.032 -1.110 1.00 0.00 N ATOM 920 CA ILE A 58 59.773 -0.298 -0.576 1.00 0.00 C ATOM 921 C ILE A 58 58.649 -0.971 -1.366 1.00 0.00 C ATOM 922 O ILE A 58 57.505 -0.522 -1.351 1.00 0.00 O ATOM 923 CB ILE A 58 59.405 -0.181 0.913 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.565 -1.546 1.593 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.966 0.325 1.075 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.953 -1.515 2.999 1.00 0.00 C ATOM 0 H ILE A 58 59.363 1.741 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 58 60.666 -0.915 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 58 60.076 0.537 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.080 -2.317 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.621 -1.808 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.724 0.401 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.871 1.306 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.279 -0.372 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.074 -2.491 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.458 -0.758 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.892 -1.275 2.929 1.00 0.00 H new ATOM 938 N LEU A 59 58.987 -2.051 -2.071 1.00 0.00 N ATOM 939 CA LEU A 59 57.989 -2.772 -2.873 1.00 0.00 C ATOM 940 C LEU A 59 57.436 -3.970 -2.103 1.00 0.00 C ATOM 941 O LEU A 59 56.390 -4.515 -2.453 1.00 0.00 O ATOM 942 CB LEU A 59 58.627 -3.252 -4.182 1.00 0.00 C ATOM 943 CG LEU A 59 59.078 -2.047 -5.026 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.843 -2.550 -6.254 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.853 -1.225 -5.481 1.00 0.00 C ATOM 0 H LEU A 59 59.928 -2.444 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 59 57.166 -2.092 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.481 -3.893 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.912 -3.852 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 59 59.724 -1.410 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.165 -1.700 -6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.716 -3.118 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.193 -3.191 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.186 -0.375 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.195 -1.854 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.312 -0.864 -4.606 1.00 0.00 H new ATOM 957 N TYR A 60 58.157 -4.385 -1.058 1.00 0.00 N ATOM 958 CA TYR A 60 57.747 -5.538 -0.241 1.00 0.00 C ATOM 959 C TYR A 60 57.278 -5.083 1.142 1.00 0.00 C ATOM 960 O TYR A 60 57.843 -4.163 1.734 1.00 0.00 O ATOM 961 CB TYR A 60 58.933 -6.522 -0.092 1.00 0.00 C ATOM 962 CG TYR A 60 58.972 -7.497 -1.266 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.913 -7.018 -2.585 1.00 0.00 C ATOM 964 CD2 TYR A 60 59.055 -8.889 -1.035 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.941 -7.913 -3.660 1.00 0.00 C ATOM 966 CE2 TYR A 60 59.091 -9.775 -2.119 1.00 0.00 C ATOM 967 CZ TYR A 60 59.033 -9.288 -3.429 1.00 0.00 C ATOM 968 OH TYR A 60 59.056 -10.164 -4.496 1.00 0.00 O ATOM 0 H TYR A 60 59.025 -3.944 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 60 56.918 -6.039 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.870 -5.967 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.840 -7.074 0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.846 -5.956 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.091 -9.269 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.891 -7.540 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.164 -10.838 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 60 59.124 -11.083 -4.163 1.00 0.00 H new ATOM 978 N ARG A 61 56.240 -5.749 1.650 1.00 0.00 N ATOM 979 CA ARG A 61 55.678 -5.433 2.965 1.00 0.00 C ATOM 980 C ARG A 61 55.629 -6.684 3.838 1.00 0.00 C ATOM 981 O ARG A 61 55.797 -7.801 3.348 1.00 0.00 O ATOM 982 CB ARG A 61 54.274 -4.848 2.792 1.00 0.00 C ATOM 983 CG ARG A 61 53.367 -5.866 2.094 1.00 0.00 C ATOM 984 CD ARG A 61 51.966 -5.275 1.941 1.00 0.00 C ATOM 985 NE ARG A 61 52.014 -4.079 1.103 1.00 0.00 N ATOM 986 CZ ARG A 61 51.951 -4.158 -0.223 1.00 0.00 C ATOM 987 NH1 ARG A 61 51.847 -5.322 -0.805 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.994 -3.069 -0.941 1.00 0.00 N ATOM 0 H ARG A 61 55.769 -6.515 1.168 1.00 0.00 H new ATOM 0 HA ARG A 61 56.314 -4.698 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.858 -4.584 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.323 -3.930 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.774 -6.123 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 61 53.324 -6.788 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.298 -6.013 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.559 -5.026 2.921 1.00 0.00 H new ATOM 0 HE ARG A 61 52.098 -3.163 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 61 51.814 -6.172 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 61 51.799 -5.381 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.076 -2.160 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.946 -3.127 -1.958 1.00 0.00 H new ATOM 1002 N GLU A 62 55.410 -6.491 5.133 1.00 0.00 N ATOM 1003 CA GLU A 62 55.356 -7.616 6.066 1.00 0.00 C ATOM 1004 C GLU A 62 54.235 -8.583 5.693 1.00 0.00 C ATOM 1005 O GLU A 62 53.169 -8.167 5.239 1.00 0.00 O ATOM 1006 CB GLU A 62 55.121 -7.112 7.494 1.00 0.00 C ATOM 1007 CG GLU A 62 56.334 -6.308 7.969 1.00 0.00 C ATOM 1008 CD GLU A 62 56.099 -5.795 9.385 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.039 -6.068 9.925 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.974 -5.122 9.903 1.00 0.00 O ATOM 0 H GLU A 62 55.268 -5.576 5.561 1.00 0.00 H new ATOM 0 HA GLU A 62 56.311 -8.138 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.226 -6.490 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.948 -7.955 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.227 -6.933 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.512 -5.470 7.295 1.00 0.00 H new ATOM 1017 N GLY A 63 54.482 -9.875 5.904 1.00 0.00 N ATOM 1018 CA GLY A 63 53.478 -10.899 5.601 1.00 0.00 C ATOM 1019 C GLY A 63 53.514 -11.301 4.132 1.00 0.00 C ATOM 1020 O GLY A 63 52.660 -12.054 3.667 1.00 0.00 O ATOM 0 H GLY A 63 55.359 -10.237 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.653 -11.777 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.486 -10.523 5.852 1.00 0.00 H new ATOM 1024 N GLN A 64 54.489 -10.779 3.398 1.00 0.00 N ATOM 1025 CA GLN A 64 54.598 -11.084 1.977 1.00 0.00 C ATOM 1026 C GLN A 64 55.039 -12.525 1.751 1.00 0.00 C ATOM 1027 O GLN A 64 55.990 -13.011 2.361 1.00 0.00 O ATOM 1028 CB GLN A 64 55.589 -10.110 1.305 1.00 0.00 C ATOM 1029 CG GLN A 64 54.828 -8.922 0.713 1.00 0.00 C ATOM 1030 CD GLN A 64 54.129 -9.340 -0.578 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.699 -10.076 -1.383 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.920 -8.915 -0.818 1.00 0.00 N ATOM 0 H GLN A 64 55.207 -10.150 3.757 1.00 0.00 H new ATOM 0 HA GLN A 64 53.613 -10.963 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 64 56.319 -9.759 2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 64 56.144 -10.625 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.094 -8.555 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 64 55.517 -8.101 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.451 -8.305 -0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 64 52.443 -9.192 -1.676 1.00 0.00 H new ATOM 1041 N VAL A 65 54.330 -13.177 0.838 1.00 0.00 N ATOM 1042 CA VAL A 65 54.612 -14.562 0.452 1.00 0.00 C ATOM 1043 C VAL A 65 54.644 -14.616 -1.073 1.00 0.00 C ATOM 1044 O VAL A 65 53.648 -14.297 -1.724 1.00 0.00 O ATOM 1045 CB VAL A 65 53.504 -15.494 0.970 1.00 0.00 C ATOM 1046 CG1 VAL A 65 53.854 -16.965 0.676 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.306 -15.306 2.484 1.00 0.00 C ATOM 0 H VAL A 65 53.541 -12.763 0.341 1.00 0.00 H new ATOM 0 HA VAL A 65 55.562 -14.886 0.877 1.00 0.00 H new ATOM 0 HB VAL A 65 52.579 -15.238 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.059 -17.610 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 65 53.960 -17.106 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 65 54.791 -17.222 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 65 52.518 -15.973 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.235 -15.538 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.024 -14.273 2.689 1.00 0.00 H new ATOM 1057 N VAL A 66 55.780 -14.989 -1.654 1.00 0.00 N ATOM 1058 CA VAL A 66 55.889 -15.030 -3.118 1.00 0.00 C ATOM 1059 C VAL A 66 56.892 -16.097 -3.592 1.00 0.00 C ATOM 1060 O VAL A 66 57.816 -16.460 -2.864 1.00 0.00 O ATOM 1061 CB VAL A 66 56.312 -13.639 -3.649 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.085 -12.825 -4.091 1.00 0.00 C ATOM 1063 CG2 VAL A 66 57.030 -12.862 -2.544 1.00 0.00 C ATOM 0 H VAL A 66 56.624 -15.263 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 66 54.910 -15.298 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 66 56.973 -13.791 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.408 -11.852 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 54.561 -13.358 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.415 -12.687 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 66 57.326 -11.883 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 66 56.360 -12.735 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 66 57.916 -13.413 -2.229 1.00 0.00 H new ATOM 1073 N PRO A 67 56.725 -16.590 -4.806 1.00 0.00 N ATOM 1074 CA PRO A 67 57.641 -17.618 -5.396 1.00 0.00 C ATOM 1075 C PRO A 67 59.016 -17.033 -5.713 1.00 0.00 C ATOM 1076 O PRO A 67 59.114 -15.902 -6.193 1.00 0.00 O ATOM 1077 CB PRO A 67 56.911 -18.053 -6.677 1.00 0.00 C ATOM 1078 CG PRO A 67 56.094 -16.869 -7.063 1.00 0.00 C ATOM 1079 CD PRO A 67 55.663 -16.219 -5.748 1.00 0.00 C ATOM 0 HA PRO A 67 57.837 -18.446 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.616 -18.322 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.284 -18.927 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 67 56.673 -16.175 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.229 -17.166 -7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.577 -15.137 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.691 -16.588 -5.420 1.00 0.00 H new ATOM 1087 N VAL A 68 60.073 -17.800 -5.456 1.00 0.00 N ATOM 1088 CA VAL A 68 61.424 -17.314 -5.745 1.00 0.00 C ATOM 1089 C VAL A 68 61.512 -16.870 -7.201 1.00 0.00 C ATOM 1090 O VAL A 68 61.225 -17.643 -8.115 1.00 0.00 O ATOM 1091 CB VAL A 68 62.464 -18.421 -5.489 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.838 -17.983 -6.019 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.575 -18.704 -3.985 1.00 0.00 C ATOM 0 H VAL A 68 60.027 -18.738 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 68 61.635 -16.470 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 68 62.142 -19.325 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.568 -18.771 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.771 -17.794 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 68 64.151 -17.072 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.313 -19.488 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.884 -17.797 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.607 -19.028 -3.603 1.00 0.00 H new ATOM 1103 N GLY A 69 61.926 -15.623 -7.404 1.00 0.00 N ATOM 1104 CA GLY A 69 62.070 -15.065 -8.751 1.00 0.00 C ATOM 1105 C GLY A 69 61.525 -13.640 -8.819 1.00 0.00 C ATOM 1106 O GLY A 69 60.686 -13.333 -9.666 1.00 0.00 O ATOM 0 H GLY A 69 62.169 -14.976 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.121 -15.069 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.541 -15.694 -9.467 1.00 0.00 H new ATOM 1110 N SER A 70 61.996 -12.769 -7.925 1.00 0.00 N ATOM 1111 CA SER A 70 61.532 -11.387 -7.912 1.00 0.00 C ATOM 1112 C SER A 70 62.492 -10.500 -7.123 1.00 0.00 C ATOM 1113 O SER A 70 63.373 -10.998 -6.422 1.00 0.00 O ATOM 1114 CB SER A 70 60.136 -11.319 -7.295 1.00 0.00 C ATOM 1115 OG SER A 70 59.632 -9.995 -7.416 1.00 0.00 O ATOM 0 H SER A 70 62.689 -12.994 -7.211 1.00 0.00 H new ATOM 0 HA SER A 70 61.494 -11.024 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.470 -12.021 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.175 -11.611 -6.246 1.00 0.00 H new ATOM 0 HG SER A 70 59.328 -9.679 -6.539 1.00 0.00 H new ATOM 1121 N THR A 71 62.313 -9.183 -7.238 1.00 0.00 N ATOM 1122 CA THR A 71 63.166 -8.228 -6.526 1.00 0.00 C ATOM 1123 C THR A 71 62.402 -7.625 -5.353 1.00 0.00 C ATOM 1124 O THR A 71 61.279 -7.143 -5.513 1.00 0.00 O ATOM 1125 CB THR A 71 63.613 -7.110 -7.476 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.597 -6.313 -6.832 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.414 -6.234 -7.855 1.00 0.00 C ATOM 0 H THR A 71 61.589 -8.754 -7.814 1.00 0.00 H new ATOM 0 HA THR A 71 64.045 -8.753 -6.153 1.00 0.00 H new ATOM 0 HB THR A 71 64.031 -7.552 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.172 -5.521 -6.441 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.740 -5.443 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.659 -6.845 -8.350 1.00 0.00 H new ATOM 0 HG23 THR A 71 61.988 -5.791 -6.955 1.00 0.00 H new ATOM 1135 N LEU A 72 63.005 -7.671 -4.171 1.00 0.00 N ATOM 1136 CA LEU A 72 62.356 -7.139 -2.979 1.00 0.00 C ATOM 1137 C LEU A 72 62.148 -5.631 -3.101 1.00 0.00 C ATOM 1138 O LEU A 72 61.101 -5.106 -2.721 1.00 0.00 O ATOM 1139 CB LEU A 72 63.197 -7.429 -1.732 1.00 0.00 C ATOM 1140 CG LEU A 72 63.642 -8.901 -1.690 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.456 -9.819 -2.024 1.00 0.00 C ATOM 1142 CD2 LEU A 72 64.811 -9.155 -2.672 1.00 0.00 C ATOM 0 H LEU A 72 63.932 -8.066 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 72 61.387 -7.628 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.074 -6.781 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.619 -7.196 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 72 63.992 -9.125 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.781 -10.859 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 72 61.660 -9.665 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 72 62.085 -9.585 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.106 -10.203 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 72 64.493 -8.915 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 72 65.658 -8.526 -2.399 1.00 0.00 H new ATOM 1154 N LEU A 73 63.154 -4.937 -3.620 1.00 0.00 N ATOM 1155 CA LEU A 73 63.068 -3.488 -3.773 1.00 0.00 C ATOM 1156 C LEU A 73 64.105 -2.986 -4.784 1.00 0.00 C ATOM 1157 O LEU A 73 64.878 -3.776 -5.323 1.00 0.00 O ATOM 1158 CB LEU A 73 63.213 -2.815 -2.400 1.00 0.00 C ATOM 1159 CG LEU A 73 64.682 -2.790 -1.903 1.00 0.00 C ATOM 1160 CD1 LEU A 73 65.261 -1.377 -2.039 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.740 -3.172 -0.416 1.00 0.00 C ATOM 0 H LEU A 73 64.031 -5.348 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 73 62.090 -3.220 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.835 -1.794 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.596 -3.343 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 73 65.254 -3.497 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 66.293 -1.371 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 73 65.233 -1.071 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.670 -0.683 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.775 -3.152 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.153 -2.461 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.333 -4.174 -0.282 1.00 0.00 H new ATOM 1173 N GLN A 74 64.100 -1.673 -5.065 1.00 0.00 N ATOM 1174 CA GLN A 74 65.040 -1.096 -6.054 1.00 0.00 C ATOM 1175 C GLN A 74 66.137 -0.287 -5.357 1.00 0.00 C ATOM 1176 O GLN A 74 65.850 0.596 -4.550 1.00 0.00 O ATOM 1177 CB GLN A 74 64.279 -0.194 -7.051 1.00 0.00 C ATOM 1178 CG GLN A 74 63.736 -1.019 -8.233 1.00 0.00 C ATOM 1179 CD GLN A 74 62.916 -0.118 -9.152 1.00 0.00 C ATOM 1180 OE1 GLN A 74 62.220 0.780 -8.678 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.955 -0.303 -10.443 1.00 0.00 N ATOM 0 H GLN A 74 63.470 -0.997 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 74 65.507 -1.918 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.455 0.304 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.943 0.587 -7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.561 -1.466 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.119 -1.838 -7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 74 63.532 -1.047 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 74 62.408 0.297 -11.061 1.00 0.00 H new ATOM 1190 N ILE A 75 67.398 -0.605 -5.676 1.00 0.00 N ATOM 1191 CA ILE A 75 68.540 0.083 -5.069 1.00 0.00 C ATOM 1192 C ILE A 75 69.444 0.700 -6.130 1.00 0.00 C ATOM 1193 O ILE A 75 69.928 0.017 -7.032 1.00 0.00 O ATOM 1194 CB ILE A 75 69.343 -0.921 -4.239 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.473 -1.452 -3.092 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.586 -0.255 -3.649 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.168 -2.641 -2.428 1.00 0.00 C ATOM 0 H ILE A 75 67.651 -1.330 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 75 68.163 0.886 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 75 69.649 -1.741 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.299 -0.664 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.497 -1.754 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.145 -0.984 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.215 0.121 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.285 0.574 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.548 -3.016 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.319 -3.431 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.133 -2.324 -2.033 1.00 0.00 H new ATOM 1209 N ASP A 76 69.679 1.998 -5.988 1.00 0.00 N ATOM 1210 CA ASP A 76 70.545 2.732 -6.910 1.00 0.00 C ATOM 1211 C ASP A 76 71.984 2.701 -6.403 1.00 0.00 C ATOM 1212 O ASP A 76 72.226 2.818 -5.202 1.00 0.00 O ATOM 1213 CB ASP A 76 70.084 4.186 -7.020 1.00 0.00 C ATOM 1214 CG ASP A 76 68.700 4.247 -7.659 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.329 3.286 -8.312 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.036 5.256 -7.490 1.00 0.00 O ATOM 0 H ASP A 76 69.282 2.568 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 76 70.491 2.260 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.058 4.644 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.795 4.757 -7.617 1.00 0.00 H new ATOM 1221 N THR A 77 72.942 2.549 -7.315 1.00 0.00 N ATOM 1222 CA THR A 77 74.352 2.512 -6.925 1.00 0.00 C ATOM 1223 C THR A 77 74.944 3.918 -6.932 1.00 0.00 C ATOM 1224 O THR A 77 76.156 4.032 -6.853 1.00 0.00 O ATOM 1225 CB THR A 77 75.139 1.613 -7.882 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.514 1.630 -7.523 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.978 2.115 -9.318 1.00 0.00 C ATOM 1228 OXT THR A 77 74.174 4.862 -7.015 1.00 0.00 O ATOM 0 H THR A 77 72.773 2.451 -8.316 1.00 0.00 H new ATOM 0 HA THR A 77 74.421 2.107 -5.915 1.00 0.00 H new ATOM 0 HB THR A 77 74.757 0.594 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.752 2.517 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.541 1.471 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 77 73.924 2.097 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.355 3.135 -9.391 1.00 0.00 H new