USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 13 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.6) USER MOD Single : A 1 LEU N :NH3+ 159:sc=-0.00108 (180deg=-0.0388) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.0745! USER MOD Single : A 9 SER OG : rot 180:sc=0.000353 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 20 HIS : no HD1:sc= -20! C(o=-20!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -1.23! C(o=-1.2!,f=-2.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 56 SER OG : rot 180:sc= 0.055 USER MOD Single : A 57 THR OG1 : rot 5:sc= -4.06! USER MOD Single : A 58 THR OG1 : rot 169:sc= -5.8! USER MOD Single : A 59 SER OG : rot 25:sc= 0.581 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00963 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -4:sc= 0.521 USER MOD Single : A 72 ASN : amide:sc= -3.84! K(o=-3.8!,f=-1.5) USER MOD Single : A 73 TYR OH : rot 5:sc= -2.66! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.012 (180deg=-0.227) USER MOD Single : A 79 ASN : amide:sc= -8.64! C(o=-8.6!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.446 2.779 2.573 1.00 0.00 N ATOM 2 CA LEU A 1 20.049 3.071 2.999 1.00 0.00 C ATOM 3 C LEU A 1 19.117 1.976 2.478 1.00 0.00 C ATOM 4 O LEU A 1 18.536 2.094 1.417 1.00 0.00 O ATOM 5 CB LEU A 1 19.613 4.424 2.431 1.00 0.00 C ATOM 6 CG LEU A 1 19.583 5.462 3.553 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.464 5.118 4.539 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.926 5.459 4.286 1.00 0.00 C ATOM 0 H1 LEU A 1 22.008 3.654 2.602 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.865 2.077 3.215 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.442 2.403 1.604 1.00 0.00 H new ATOM 0 HA LEU A 1 20.001 3.102 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.301 4.740 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 1 18.627 4.338 1.974 1.00 0.00 H new ATOM 0 HG LEU A 1 19.402 6.449 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.443 5.858 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.507 5.120 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.644 4.130 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 1 20.905 6.199 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 1 21.107 4.471 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 1 21.724 5.705 3.585 1.00 0.00 H new ATOM 22 N LYS A 2 18.967 0.911 3.217 1.00 0.00 N ATOM 23 CA LYS A 2 18.072 -0.190 2.763 1.00 0.00 C ATOM 24 C LYS A 2 16.690 -0.014 3.393 1.00 0.00 C ATOM 25 O LYS A 2 16.563 0.537 4.469 1.00 0.00 O ATOM 26 CB LYS A 2 18.661 -1.536 3.191 1.00 0.00 C ATOM 27 CG LYS A 2 19.109 -1.457 4.652 1.00 0.00 C ATOM 28 CD LYS A 2 19.227 -2.870 5.228 1.00 0.00 C ATOM 29 CE LYS A 2 20.562 -3.485 4.802 1.00 0.00 C ATOM 30 NZ LYS A 2 21.611 -3.138 5.802 1.00 0.00 N ATOM 0 H LYS A 2 19.425 0.756 4.115 1.00 0.00 H new ATOM 0 HA LYS A 2 17.983 -0.162 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.919 -2.325 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.507 -1.794 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.068 -0.943 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.393 -0.875 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.160 -2.838 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.401 -3.488 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.466 -4.568 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.847 -3.115 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.518 -3.556 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.708 -2.104 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.339 -3.512 6.734 1.00 0.00 H new ATOM 44 N PRO A 3 15.696 -0.506 2.704 1.00 0.00 N ATOM 45 CA PRO A 3 14.345 0.077 2.724 1.00 0.00 C ATOM 46 C PRO A 3 13.604 -0.347 3.993 1.00 0.00 C ATOM 47 O PRO A 3 12.777 -1.236 3.967 1.00 0.00 O ATOM 48 CB PRO A 3 13.680 -0.520 1.481 1.00 0.00 C ATOM 49 CG PRO A 3 14.459 -1.811 1.147 1.00 0.00 C ATOM 50 CD PRO A 3 15.831 -1.693 1.840 1.00 0.00 C ATOM 0 HA PRO A 3 14.346 1.167 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.629 -0.739 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.715 0.181 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.921 -2.690 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.578 -1.923 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.062 -2.585 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.635 -1.569 1.114 1.00 0.00 H new ATOM 58 N LYS A 4 13.889 0.279 5.104 1.00 0.00 N ATOM 59 CA LYS A 4 13.191 -0.096 6.365 1.00 0.00 C ATOM 60 C LYS A 4 11.694 0.157 6.198 1.00 0.00 C ATOM 61 O LYS A 4 11.201 1.221 6.511 1.00 0.00 O ATOM 62 CB LYS A 4 13.729 0.752 7.520 1.00 0.00 C ATOM 63 CG LYS A 4 13.959 -0.137 8.743 1.00 0.00 C ATOM 64 CD LYS A 4 15.414 -0.610 8.764 1.00 0.00 C ATOM 65 CE LYS A 4 15.864 -0.814 10.212 1.00 0.00 C ATOM 66 NZ LYS A 4 15.542 -2.204 10.640 1.00 0.00 N ATOM 0 H LYS A 4 14.573 1.031 5.191 1.00 0.00 H new ATOM 0 HA LYS A 4 13.364 -1.150 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.662 1.234 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.022 1.546 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.732 0.415 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.287 -0.995 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.513 -1.542 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.053 0.124 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.935 -0.634 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.365 -0.097 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.848 -2.344 11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.516 -2.360 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.037 -2.880 10.024 1.00 0.00 H new ATOM 80 N ILE A 5 10.970 -0.811 5.699 1.00 0.00 N ATOM 81 CA ILE A 5 9.505 -0.631 5.499 1.00 0.00 C ATOM 82 C ILE A 5 8.801 -0.718 6.859 1.00 0.00 C ATOM 83 O ILE A 5 8.701 -1.771 7.458 1.00 0.00 O ATOM 84 CB ILE A 5 9.008 -1.709 4.507 1.00 0.00 C ATOM 85 CG1 ILE A 5 8.384 -1.045 3.272 1.00 0.00 C ATOM 86 CG2 ILE A 5 7.975 -2.640 5.147 1.00 0.00 C ATOM 87 CD1 ILE A 5 6.983 -0.537 3.602 1.00 0.00 C ATOM 0 H ILE A 5 11.334 -1.722 5.421 1.00 0.00 H new ATOM 0 HA ILE A 5 9.278 0.347 5.074 1.00 0.00 H new ATOM 0 HB ILE A 5 9.874 -2.303 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.010 -0.217 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.336 -1.760 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.652 -3.382 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.421 -3.145 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.115 -2.057 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.549 -0.068 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.357 -1.373 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.041 0.193 4.409 1.00 0.00 H new ATOM 99 N LEU A 6 8.332 0.397 7.354 1.00 0.00 N ATOM 100 CA LEU A 6 7.654 0.409 8.680 1.00 0.00 C ATOM 101 C LEU A 6 6.171 0.061 8.527 1.00 0.00 C ATOM 102 O LEU A 6 5.695 -0.873 9.135 1.00 0.00 O ATOM 103 CB LEU A 6 7.783 1.802 9.300 1.00 0.00 C ATOM 104 CG LEU A 6 8.734 1.745 10.497 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.094 1.210 10.045 1.00 0.00 C ATOM 106 CD2 LEU A 6 8.908 3.151 11.075 1.00 0.00 C ATOM 0 H LEU A 6 8.391 1.305 6.892 1.00 0.00 H new ATOM 0 HA LEU A 6 8.126 -0.333 9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.157 2.508 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.804 2.162 9.617 1.00 0.00 H new ATOM 0 HG LEU A 6 8.319 1.085 11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.771 1.170 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.972 0.209 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.509 1.870 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.585 3.112 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.323 3.809 10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.940 3.534 11.397 1.00 0.00 H new ATOM 118 N THR A 7 5.448 0.803 7.717 1.00 0.00 N ATOM 119 CA THR A 7 3.986 0.526 7.514 1.00 0.00 C ATOM 120 C THR A 7 3.357 -0.009 8.805 1.00 0.00 C ATOM 121 O THR A 7 2.886 0.745 9.633 1.00 0.00 O ATOM 122 CB THR A 7 3.806 -0.487 6.376 1.00 0.00 C ATOM 123 OG1 THR A 7 2.695 -1.328 6.652 1.00 0.00 O ATOM 124 CG2 THR A 7 5.073 -1.328 6.236 1.00 0.00 C ATOM 0 H THR A 7 5.811 1.594 7.184 1.00 0.00 H new ATOM 0 HA THR A 7 3.484 1.456 7.248 1.00 0.00 H new ATOM 0 HB THR A 7 3.624 0.046 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.928 -1.044 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.945 -2.048 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.919 -0.678 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.261 -1.860 7.169 1.00 0.00 H new ATOM 132 N ALA A 8 3.366 -1.303 8.984 1.00 0.00 N ATOM 133 CA ALA A 8 2.799 -1.917 10.220 1.00 0.00 C ATOM 134 C ALA A 8 1.275 -2.032 10.142 1.00 0.00 C ATOM 135 O ALA A 8 0.674 -2.858 10.800 1.00 0.00 O ATOM 136 CB ALA A 8 3.184 -1.051 11.403 1.00 0.00 C ATOM 0 H ALA A 8 3.749 -1.971 8.315 1.00 0.00 H new ATOM 0 HA ALA A 8 3.201 -2.924 10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.778 -1.483 12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.270 -0.998 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.781 -0.048 11.266 1.00 0.00 H new ATOM 142 N SER A 9 0.652 -1.212 9.357 1.00 0.00 N ATOM 143 CA SER A 9 -0.835 -1.263 9.237 1.00 0.00 C ATOM 144 C SER A 9 -1.307 -2.720 9.192 1.00 0.00 C ATOM 145 O SER A 9 -0.536 -3.624 8.938 1.00 0.00 O ATOM 146 CB SER A 9 -1.264 -0.556 7.953 1.00 0.00 C ATOM 147 OG SER A 9 -0.720 0.758 7.935 1.00 0.00 O ATOM 0 H SER A 9 1.106 -0.500 8.785 1.00 0.00 H new ATOM 0 HA SER A 9 -1.280 -0.767 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.920 -1.116 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.352 -0.512 7.894 1.00 0.00 H new ATOM 0 HG SER A 9 -0.992 1.214 7.111 1.00 0.00 H new ATOM 153 N ARG A 10 -2.570 -2.952 9.435 1.00 0.00 N ATOM 154 CA ARG A 10 -3.092 -4.348 9.403 1.00 0.00 C ATOM 155 C ARG A 10 -4.275 -4.431 8.442 1.00 0.00 C ATOM 156 O ARG A 10 -4.168 -4.951 7.350 1.00 0.00 O ATOM 157 CB ARG A 10 -3.536 -4.764 10.809 1.00 0.00 C ATOM 158 CG ARG A 10 -3.178 -6.233 11.040 1.00 0.00 C ATOM 159 CD ARG A 10 -2.597 -6.404 12.445 1.00 0.00 C ATOM 160 NE ARG A 10 -2.224 -7.831 12.658 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.481 -8.409 13.798 1.00 0.00 C ATOM 162 NH1 ARG A 10 -3.604 -8.164 14.417 1.00 0.00 N ATOM 163 NH2 ARG A 10 -1.616 -9.235 14.321 1.00 0.00 N ATOM 0 H ARG A 10 -3.262 -2.235 9.654 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.305 -5.020 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.049 -4.138 11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.610 -4.618 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.064 -6.857 10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.455 -6.564 10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.722 -5.766 12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.327 -6.092 13.192 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.768 -8.356 11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.281 -7.520 14.009 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.804 -8.617 15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.739 -9.428 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.817 -9.687 15.213 1.00 0.00 H new ATOM 177 N LYS A 11 -5.396 -3.919 8.842 1.00 0.00 N ATOM 178 CA LYS A 11 -6.597 -3.955 7.958 1.00 0.00 C ATOM 179 C LYS A 11 -7.164 -2.543 7.816 1.00 0.00 C ATOM 180 O LYS A 11 -6.581 -1.581 8.275 1.00 0.00 O ATOM 181 CB LYS A 11 -7.664 -4.868 8.569 1.00 0.00 C ATOM 182 CG LYS A 11 -7.747 -4.618 10.077 1.00 0.00 C ATOM 183 CD LYS A 11 -9.214 -4.555 10.506 1.00 0.00 C ATOM 184 CE LYS A 11 -9.294 -4.295 12.012 1.00 0.00 C ATOM 185 NZ LYS A 11 -10.062 -3.041 12.260 1.00 0.00 N ATOM 0 H LYS A 11 -5.539 -3.473 9.748 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.311 -4.339 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.631 -4.677 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.418 -5.912 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.234 -5.414 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.243 -3.685 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.730 -3.764 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.716 -5.491 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.777 -5.135 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.291 -4.209 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.117 -2.864 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.583 -2.243 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.023 -3.140 11.874 1.00 0.00 H new ATOM 199 N ILE A 12 -8.295 -2.407 7.179 1.00 0.00 N ATOM 200 CA ILE A 12 -8.890 -1.053 7.008 1.00 0.00 C ATOM 201 C ILE A 12 -10.409 -1.163 6.868 1.00 0.00 C ATOM 202 O ILE A 12 -10.912 -1.838 5.996 1.00 0.00 O ATOM 203 CB ILE A 12 -8.326 -0.406 5.743 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.811 -0.222 5.884 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.990 0.955 5.531 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.511 0.761 7.017 1.00 0.00 C ATOM 0 H ILE A 12 -8.831 -3.173 6.771 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.646 -0.447 7.881 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.529 -1.049 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.336 -1.182 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.392 0.148 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.590 1.419 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.066 0.822 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.788 1.596 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.433 0.888 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.971 1.724 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.915 0.373 7.952 1.00 0.00 H new ATOM 218 N LYS A 13 -11.144 -0.487 7.704 1.00 0.00 N ATOM 219 CA LYS A 13 -12.628 -0.538 7.596 1.00 0.00 C ATOM 220 C LYS A 13 -13.097 0.683 6.804 1.00 0.00 C ATOM 221 O LYS A 13 -13.389 1.721 7.364 1.00 0.00 O ATOM 222 CB LYS A 13 -13.249 -0.513 8.995 1.00 0.00 C ATOM 223 CG LYS A 13 -14.769 -0.648 8.882 1.00 0.00 C ATOM 224 CD LYS A 13 -15.283 -1.573 9.988 1.00 0.00 C ATOM 225 CE LYS A 13 -16.529 -0.960 10.630 1.00 0.00 C ATOM 226 NZ LYS A 13 -17.651 -1.940 10.573 1.00 0.00 N ATOM 0 H LYS A 13 -10.782 0.098 8.457 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.935 -1.454 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.845 -1.326 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.993 0.417 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.239 0.332 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.038 -1.048 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.519 -2.554 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.509 -1.722 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.322 -0.688 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.806 -0.043 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.472 -1.557 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.910 -2.114 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.354 -2.834 11.015 1.00 0.00 H new ATOM 240 N ILE A 14 -13.156 0.577 5.504 1.00 0.00 N ATOM 241 CA ILE A 14 -13.588 1.747 4.687 1.00 0.00 C ATOM 242 C ILE A 14 -15.085 1.648 4.385 1.00 0.00 C ATOM 243 O ILE A 14 -15.649 0.575 4.318 1.00 0.00 O ATOM 244 CB ILE A 14 -12.794 1.770 3.378 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.328 1.436 3.673 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.890 3.162 2.741 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.455 1.817 2.473 1.00 0.00 C ATOM 0 H ILE A 14 -12.925 -0.264 4.975 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.401 2.666 5.242 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.204 1.033 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.995 1.973 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.224 0.372 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.324 3.176 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.934 3.396 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.480 3.904 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.414 1.577 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.781 1.260 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.548 2.886 2.280 1.00 0.00 H new ATOM 259 N LYS A 15 -15.732 2.766 4.201 1.00 0.00 N ATOM 260 CA LYS A 15 -17.190 2.741 3.898 1.00 0.00 C ATOM 261 C LYS A 15 -17.381 2.703 2.382 1.00 0.00 C ATOM 262 O LYS A 15 -16.445 2.880 1.627 1.00 0.00 O ATOM 263 CB LYS A 15 -17.850 3.998 4.468 1.00 0.00 C ATOM 264 CG LYS A 15 -18.987 3.598 5.411 1.00 0.00 C ATOM 265 CD LYS A 15 -18.403 2.983 6.684 1.00 0.00 C ATOM 266 CE LYS A 15 -18.327 4.050 7.778 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.149 3.624 8.946 1.00 0.00 N ATOM 0 H LYS A 15 -15.314 3.695 4.247 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.648 1.860 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.113 4.597 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.236 4.617 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.591 4.471 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.647 2.884 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.023 2.150 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.410 2.581 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.291 4.199 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.687 5.005 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.097 4.349 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.138 3.503 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.786 2.722 9.316 1.00 0.00 H new ATOM 281 N ALA A 16 -18.579 2.470 1.924 1.00 0.00 N ATOM 282 CA ALA A 16 -18.807 2.418 0.454 1.00 0.00 C ATOM 283 C ALA A 16 -18.790 3.837 -0.122 1.00 0.00 C ATOM 284 O ALA A 16 -19.192 4.783 0.524 1.00 0.00 O ATOM 285 CB ALA A 16 -20.160 1.769 0.166 1.00 0.00 C ATOM 0 H ALA A 16 -19.406 2.314 2.501 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.016 1.829 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.324 1.732 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.171 0.756 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.951 2.355 0.634 1.00 0.00 H new ATOM 291 N GLY A 17 -18.331 3.990 -1.335 1.00 0.00 N ATOM 292 CA GLY A 17 -18.287 5.344 -1.959 1.00 0.00 C ATOM 293 C GLY A 17 -17.603 6.326 -1.007 1.00 0.00 C ATOM 294 O GLY A 17 -17.888 7.507 -1.007 1.00 0.00 O ATOM 0 H GLY A 17 -17.983 3.232 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.746 5.302 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.298 5.685 -2.184 1.00 0.00 H new ATOM 298 N PHE A 18 -16.707 5.847 -0.188 1.00 0.00 N ATOM 299 CA PHE A 18 -16.011 6.755 0.773 1.00 0.00 C ATOM 300 C PHE A 18 -14.558 6.962 0.343 1.00 0.00 C ATOM 301 O PHE A 18 -13.970 6.130 -0.320 1.00 0.00 O ATOM 302 CB PHE A 18 -16.038 6.136 2.173 1.00 0.00 C ATOM 303 CG PHE A 18 -17.285 6.584 2.894 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.462 6.798 2.173 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.264 6.785 4.279 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.624 7.214 2.834 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.425 7.201 4.942 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.605 7.415 4.220 1.00 0.00 C ATOM 0 H PHE A 18 -16.426 4.868 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.523 7.717 0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.016 5.049 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.153 6.437 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.476 6.642 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.353 6.619 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.534 7.380 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.410 7.357 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.501 7.735 4.732 1.00 0.00 H new ATOM 318 N THR A 19 -13.973 8.066 0.723 1.00 0.00 N ATOM 319 CA THR A 19 -12.556 8.331 0.347 1.00 0.00 C ATOM 320 C THR A 19 -11.625 7.604 1.325 1.00 0.00 C ATOM 321 O THR A 19 -12.041 7.143 2.370 1.00 0.00 O ATOM 322 CB THR A 19 -12.287 9.835 0.403 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.944 10.392 1.533 1.00 0.00 O ATOM 324 CG2 THR A 19 -12.816 10.488 -0.874 1.00 0.00 C ATOM 0 H THR A 19 -14.417 8.797 1.279 1.00 0.00 H new ATOM 0 HA THR A 19 -12.373 7.969 -0.665 1.00 0.00 H new ATOM 0 HB THR A 19 -11.215 10.014 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.770 11.356 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.627 11.561 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.311 10.058 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.888 10.311 -0.956 1.00 0.00 H new ATOM 332 N HIS A 20 -10.372 7.490 0.985 1.00 0.00 N ATOM 333 CA HIS A 20 -9.403 6.786 1.876 1.00 0.00 C ATOM 334 C HIS A 20 -8.001 7.320 1.590 1.00 0.00 C ATOM 335 O HIS A 20 -7.788 7.970 0.593 1.00 0.00 O ATOM 336 CB HIS A 20 -9.445 5.289 1.562 1.00 0.00 C ATOM 337 CG HIS A 20 -9.114 4.501 2.795 1.00 0.00 C ATOM 338 ND1 HIS A 20 -9.983 4.416 3.869 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.017 3.750 3.138 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.403 3.639 4.798 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.201 3.209 4.404 1.00 0.00 N ATOM 0 H HIS A 20 -9.973 7.857 0.121 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.658 6.952 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.434 5.012 1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.736 5.055 0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.145 3.603 2.518 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.853 3.392 5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.557 2.612 4.922 1.00 0.00 H new ATOM 349 N ASN A 21 -7.035 7.043 2.432 1.00 0.00 N ATOM 350 CA ASN A 21 -5.654 7.542 2.145 1.00 0.00 C ATOM 351 C ASN A 21 -4.600 6.630 2.768 1.00 0.00 C ATOM 352 O ASN A 21 -3.990 6.929 3.775 1.00 0.00 O ATOM 353 CB ASN A 21 -5.475 8.988 2.623 1.00 0.00 C ATOM 354 CG ASN A 21 -5.393 9.027 4.151 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.222 8.454 4.830 1.00 0.00 O ATOM 356 ND2 ASN A 21 -4.422 9.684 4.723 1.00 0.00 N ATOM 0 H ASN A 21 -7.139 6.503 3.291 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.517 7.528 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.569 9.413 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.309 9.599 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.358 9.717 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.726 10.165 4.153 1.00 0.00 H new ATOM 363 N LEU A 22 -4.373 5.525 2.125 1.00 0.00 N ATOM 364 CA LEU A 22 -3.349 4.550 2.581 1.00 0.00 C ATOM 365 C LEU A 22 -2.031 5.282 2.853 1.00 0.00 C ATOM 366 O LEU A 22 -1.571 6.063 2.041 1.00 0.00 O ATOM 367 CB LEU A 22 -3.136 3.555 1.446 1.00 0.00 C ATOM 368 CG LEU A 22 -2.401 2.317 1.940 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.779 1.135 1.050 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.895 2.550 1.841 1.00 0.00 C ATOM 0 H LEU A 22 -4.869 5.248 1.278 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.673 4.048 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.099 3.267 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.565 4.027 0.646 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.673 2.113 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.259 0.240 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.855 0.971 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.493 1.349 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.366 1.665 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.624 2.745 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.618 3.407 2.455 1.00 0.00 H new ATOM 382 N GLU A 23 -1.411 5.029 3.975 1.00 0.00 N ATOM 383 CA GLU A 23 -0.120 5.712 4.280 1.00 0.00 C ATOM 384 C GLU A 23 0.967 4.671 4.572 1.00 0.00 C ATOM 385 O GLU A 23 0.724 3.664 5.208 1.00 0.00 O ATOM 386 CB GLU A 23 -0.298 6.616 5.502 1.00 0.00 C ATOM 387 CG GLU A 23 1.011 7.355 5.784 1.00 0.00 C ATOM 388 CD GLU A 23 1.888 6.508 6.709 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.383 6.061 7.726 1.00 0.00 O ATOM 390 OE2 GLU A 23 3.049 6.322 6.385 1.00 0.00 O ATOM 0 H GLU A 23 -1.741 4.382 4.691 1.00 0.00 H new ATOM 0 HA GLU A 23 0.179 6.311 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.101 7.331 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.586 6.021 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.536 7.555 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.804 8.320 6.246 1.00 0.00 H new ATOM 397 N VAL A 24 2.167 4.914 4.115 1.00 0.00 N ATOM 398 CA VAL A 24 3.281 3.952 4.364 1.00 0.00 C ATOM 399 C VAL A 24 4.604 4.719 4.388 1.00 0.00 C ATOM 400 O VAL A 24 4.707 5.800 3.845 1.00 0.00 O ATOM 401 CB VAL A 24 3.324 2.912 3.244 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.529 1.990 3.444 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.041 2.082 3.271 1.00 0.00 C ATOM 0 H VAL A 24 2.425 5.742 3.577 1.00 0.00 H new ATOM 0 HA VAL A 24 3.122 3.449 5.318 1.00 0.00 H new ATOM 0 HB VAL A 24 3.412 3.420 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.557 1.250 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.445 2.580 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.444 1.483 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.071 1.340 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.955 1.577 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.181 2.736 3.126 1.00 0.00 H new ATOM 413 N ASP A 25 5.617 4.176 5.008 1.00 0.00 N ATOM 414 CA ASP A 25 6.922 4.895 5.052 1.00 0.00 C ATOM 415 C ASP A 25 8.070 3.897 5.195 1.00 0.00 C ATOM 416 O ASP A 25 8.112 3.120 6.126 1.00 0.00 O ATOM 417 CB ASP A 25 6.935 5.860 6.239 1.00 0.00 C ATOM 418 CG ASP A 25 7.965 6.963 5.989 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.140 6.644 5.918 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.561 8.109 5.874 1.00 0.00 O ATOM 0 H ASP A 25 5.598 3.273 5.482 1.00 0.00 H new ATOM 0 HA ASP A 25 7.050 5.453 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.946 6.296 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.177 5.322 7.156 1.00 0.00 H new ATOM 425 N PHE A 26 9.006 3.907 4.278 1.00 0.00 N ATOM 426 CA PHE A 26 10.135 2.953 4.379 1.00 0.00 C ATOM 427 C PHE A 26 11.464 3.661 4.107 1.00 0.00 C ATOM 428 O PHE A 26 11.594 4.437 3.183 1.00 0.00 O ATOM 429 CB PHE A 26 9.914 1.816 3.389 1.00 0.00 C ATOM 430 CG PHE A 26 9.782 2.337 1.979 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.540 2.800 1.523 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.889 2.332 1.119 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.405 3.262 0.210 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.752 2.798 -0.194 1.00 0.00 C ATOM 435 CZ PHE A 26 9.510 3.262 -0.648 1.00 0.00 C ATOM 0 H PHE A 26 9.031 4.532 3.473 1.00 0.00 H new ATOM 0 HA PHE A 26 10.179 2.546 5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.747 1.116 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.015 1.263 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.687 2.800 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.845 1.970 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.448 3.619 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.604 2.800 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.406 3.620 -1.662 1.00 0.00 H new ATOM 445 N ILE A 27 12.451 3.406 4.926 1.00 0.00 N ATOM 446 CA ILE A 27 13.776 4.071 4.745 1.00 0.00 C ATOM 447 C ILE A 27 14.578 3.372 3.646 1.00 0.00 C ATOM 448 O ILE A 27 15.345 2.466 3.906 1.00 0.00 O ATOM 449 CB ILE A 27 14.552 4.009 6.063 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.975 5.036 7.036 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.030 4.327 5.816 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.467 4.821 7.177 1.00 0.00 C ATOM 0 H ILE A 27 12.396 2.763 5.716 1.00 0.00 H new ATOM 0 HA ILE A 27 13.617 5.110 4.454 1.00 0.00 H new ATOM 0 HB ILE A 27 14.465 3.007 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.458 4.942 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.176 6.045 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.575 4.281 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.447 3.599 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.121 5.327 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.058 5.555 7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.990 4.938 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.277 3.817 7.556 1.00 0.00 H new ATOM 464 N GLY A 28 14.421 3.798 2.424 1.00 0.00 N ATOM 465 CA GLY A 28 15.185 3.168 1.309 1.00 0.00 C ATOM 466 C GLY A 28 15.933 4.249 0.525 1.00 0.00 C ATOM 467 O GLY A 28 15.516 5.389 0.468 1.00 0.00 O ATOM 0 H GLY A 28 13.796 4.556 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.891 2.438 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.506 2.629 0.648 1.00 0.00 H new ATOM 471 N ALA A 29 17.037 3.901 -0.082 1.00 0.00 N ATOM 472 CA ALA A 29 17.811 4.909 -0.863 1.00 0.00 C ATOM 473 C ALA A 29 19.103 4.267 -1.384 1.00 0.00 C ATOM 474 O ALA A 29 19.408 3.141 -1.046 1.00 0.00 O ATOM 475 CB ALA A 29 18.140 6.100 0.033 1.00 0.00 C ATOM 0 H ALA A 29 17.436 2.962 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 29 17.219 5.254 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.706 6.838 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.215 6.551 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.734 5.763 0.882 1.00 0.00 H new ATOM 481 N PRO A 30 19.810 4.991 -2.219 1.00 0.00 N ATOM 482 CA PRO A 30 19.437 6.361 -2.629 1.00 0.00 C ATOM 483 C PRO A 30 18.220 6.348 -3.554 1.00 0.00 C ATOM 484 O PRO A 30 17.755 7.379 -3.998 1.00 0.00 O ATOM 485 CB PRO A 30 20.687 6.874 -3.352 1.00 0.00 C ATOM 486 CG PRO A 30 21.478 5.624 -3.794 1.00 0.00 C ATOM 487 CD PRO A 30 21.042 4.483 -2.856 1.00 0.00 C ATOM 0 HA PRO A 30 19.151 6.993 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.415 7.486 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.287 7.501 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.264 5.376 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.552 5.798 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.855 3.562 -3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.810 4.260 -2.116 1.00 0.00 H new ATOM 495 N ASP A 31 17.689 5.193 -3.838 1.00 0.00 N ATOM 496 CA ASP A 31 16.493 5.126 -4.718 1.00 0.00 C ATOM 497 C ASP A 31 15.942 3.698 -4.717 1.00 0.00 C ATOM 498 O ASP A 31 16.306 2.893 -5.551 1.00 0.00 O ATOM 499 CB ASP A 31 16.879 5.528 -6.143 1.00 0.00 C ATOM 500 CG ASP A 31 15.737 6.327 -6.776 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.686 5.748 -6.994 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.934 7.503 -7.030 1.00 0.00 O ATOM 0 H ASP A 31 18.031 4.294 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 31 15.730 5.810 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.791 6.125 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.089 4.640 -6.738 1.00 0.00 H new ATOM 507 N PRO A 32 15.081 3.427 -3.770 1.00 0.00 N ATOM 508 CA PRO A 32 14.458 2.102 -3.613 1.00 0.00 C ATOM 509 C PRO A 32 13.299 1.936 -4.597 1.00 0.00 C ATOM 510 O PRO A 32 13.054 2.778 -5.439 1.00 0.00 O ATOM 511 CB PRO A 32 13.926 2.126 -2.178 1.00 0.00 C ATOM 512 CG PRO A 32 13.750 3.615 -1.808 1.00 0.00 C ATOM 513 CD PRO A 32 14.651 4.418 -2.763 1.00 0.00 C ATOM 0 HA PRO A 32 15.151 1.282 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.978 1.592 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.621 1.635 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.708 3.919 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.032 3.792 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.109 5.244 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.504 4.849 -2.239 1.00 0.00 H new ATOM 521 N THR A 33 12.574 0.859 -4.482 1.00 0.00 N ATOM 522 CA THR A 33 11.417 0.631 -5.386 1.00 0.00 C ATOM 523 C THR A 33 10.223 0.188 -4.540 1.00 0.00 C ATOM 524 O THR A 33 10.384 -0.429 -3.509 1.00 0.00 O ATOM 525 CB THR A 33 11.764 -0.464 -6.398 1.00 0.00 C ATOM 526 OG1 THR A 33 12.691 0.047 -7.346 1.00 0.00 O ATOM 527 CG2 THR A 33 10.494 -0.919 -7.117 1.00 0.00 C ATOM 0 H THR A 33 12.736 0.123 -3.795 1.00 0.00 H new ATOM 0 HA THR A 33 11.176 1.547 -5.925 1.00 0.00 H new ATOM 0 HB THR A 33 12.207 -1.313 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.916 -0.653 -7.994 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.743 -1.699 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.784 -1.311 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.048 -0.072 -7.639 1.00 0.00 H new ATOM 535 N ALA A 34 9.029 0.495 -4.957 1.00 0.00 N ATOM 536 CA ALA A 34 7.842 0.080 -4.159 1.00 0.00 C ATOM 537 C ALA A 34 6.715 -0.325 -5.107 1.00 0.00 C ATOM 538 O ALA A 34 6.407 0.370 -6.056 1.00 0.00 O ATOM 539 CB ALA A 34 7.384 1.240 -3.271 1.00 0.00 C ATOM 0 H ALA A 34 8.823 1.013 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 34 8.106 -0.767 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.515 0.932 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.192 1.522 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.118 2.093 -3.895 1.00 0.00 H new ATOM 545 N THR A 35 6.102 -1.448 -4.863 1.00 0.00 N ATOM 546 CA THR A 35 5.003 -1.903 -5.755 1.00 0.00 C ATOM 547 C THR A 35 3.688 -1.944 -4.976 1.00 0.00 C ATOM 548 O THR A 35 3.561 -2.639 -3.985 1.00 0.00 O ATOM 549 CB THR A 35 5.325 -3.303 -6.285 1.00 0.00 C ATOM 550 OG1 THR A 35 6.594 -3.284 -6.924 1.00 0.00 O ATOM 551 CG2 THR A 35 4.252 -3.731 -7.287 1.00 0.00 C ATOM 0 H THR A 35 6.315 -2.071 -4.084 1.00 0.00 H new ATOM 0 HA THR A 35 4.905 -1.209 -6.590 1.00 0.00 H new ATOM 0 HB THR A 35 5.346 -4.011 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.803 -4.180 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.483 -4.728 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.279 -3.745 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.228 -3.026 -8.118 1.00 0.00 H new ATOM 559 N TRP A 36 2.707 -1.209 -5.430 1.00 0.00 N ATOM 560 CA TRP A 36 1.386 -1.197 -4.741 1.00 0.00 C ATOM 561 C TRP A 36 0.460 -2.194 -5.436 1.00 0.00 C ATOM 562 O TRP A 36 -0.147 -1.894 -6.445 1.00 0.00 O ATOM 563 CB TRP A 36 0.782 0.207 -4.820 1.00 0.00 C ATOM 564 CG TRP A 36 1.232 1.015 -3.643 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.950 2.160 -3.712 1.00 0.00 C ATOM 566 CD2 TRP A 36 1.017 0.759 -2.226 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.175 2.623 -2.433 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.626 1.795 -1.483 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.360 -0.260 -1.518 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.585 1.820 -0.090 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.319 -0.240 -0.119 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.929 0.796 0.594 1.00 0.00 C ATOM 0 H TRP A 36 2.766 -0.612 -6.255 1.00 0.00 H new ATOM 0 HA TRP A 36 1.509 -1.474 -3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.088 0.694 -5.746 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.306 0.145 -4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.291 2.634 -4.621 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.688 3.478 -2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.117 -1.065 -2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.057 2.624 0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.188 -1.031 0.414 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.893 0.804 1.673 1.00 0.00 H new ATOM 583 N THR A 37 0.353 -3.379 -4.906 1.00 0.00 N ATOM 584 CA THR A 37 -0.532 -4.399 -5.533 1.00 0.00 C ATOM 585 C THR A 37 -1.784 -4.560 -4.678 1.00 0.00 C ATOM 586 O THR A 37 -1.849 -4.081 -3.563 1.00 0.00 O ATOM 587 CB THR A 37 0.209 -5.735 -5.620 1.00 0.00 C ATOM 588 OG1 THR A 37 1.354 -5.695 -4.778 1.00 0.00 O ATOM 589 CG2 THR A 37 0.646 -5.989 -7.063 1.00 0.00 C ATOM 0 H THR A 37 0.841 -3.686 -4.064 1.00 0.00 H new ATOM 0 HA THR A 37 -0.811 -4.080 -6.537 1.00 0.00 H new ATOM 0 HB THR A 37 -0.454 -6.538 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.829 -6.551 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.173 -6.941 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.232 -6.020 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.308 -5.187 -7.389 1.00 0.00 H new ATOM 597 N VAL A 38 -2.786 -5.220 -5.187 1.00 0.00 N ATOM 598 CA VAL A 38 -4.032 -5.389 -4.387 1.00 0.00 C ATOM 599 C VAL A 38 -4.255 -6.872 -4.081 1.00 0.00 C ATOM 600 O VAL A 38 -5.322 -7.410 -4.300 1.00 0.00 O ATOM 601 CB VAL A 38 -5.218 -4.835 -5.175 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.424 -5.665 -6.436 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.481 -4.902 -4.317 1.00 0.00 C ATOM 0 H VAL A 38 -2.798 -5.646 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.937 -4.846 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.016 -3.799 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.270 -5.269 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.526 -5.619 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.623 -6.701 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.326 -4.506 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.681 -5.938 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.339 -4.309 -3.413 1.00 0.00 H new ATOM 613 N GLY A 39 -3.255 -7.533 -3.568 1.00 0.00 N ATOM 614 CA GLY A 39 -3.402 -8.977 -3.235 1.00 0.00 C ATOM 615 C GLY A 39 -3.715 -9.779 -4.500 1.00 0.00 C ATOM 616 O GLY A 39 -3.224 -9.486 -5.571 1.00 0.00 O ATOM 0 H GLY A 39 -2.339 -7.133 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.485 -9.348 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.199 -9.110 -2.504 1.00 0.00 H new ATOM 620 N ASP A 40 -4.525 -10.797 -4.377 1.00 0.00 N ATOM 621 CA ASP A 40 -4.872 -11.630 -5.562 1.00 0.00 C ATOM 622 C ASP A 40 -3.624 -12.361 -6.067 1.00 0.00 C ATOM 623 O ASP A 40 -3.646 -13.011 -7.093 1.00 0.00 O ATOM 624 CB ASP A 40 -5.421 -10.732 -6.664 1.00 0.00 C ATOM 625 CG ASP A 40 -6.668 -11.374 -7.275 1.00 0.00 C ATOM 626 OD1 ASP A 40 -6.544 -12.455 -7.828 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.727 -10.775 -7.179 1.00 0.00 O ATOM 0 H ASP A 40 -4.962 -11.087 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.625 -12.366 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.666 -9.750 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.664 -10.579 -7.433 1.00 0.00 H new ATOM 632 N SER A 41 -2.539 -12.266 -5.349 1.00 0.00 N ATOM 633 CA SER A 41 -1.293 -12.959 -5.776 1.00 0.00 C ATOM 634 C SER A 41 -0.818 -12.394 -7.117 1.00 0.00 C ATOM 635 O SER A 41 -0.485 -13.128 -8.026 1.00 0.00 O ATOM 636 CB SER A 41 -1.572 -14.454 -5.920 1.00 0.00 C ATOM 637 OG SER A 41 -0.423 -15.188 -5.517 1.00 0.00 O ATOM 0 H SER A 41 -2.463 -11.736 -4.481 1.00 0.00 H new ATOM 0 HA SER A 41 -0.516 -12.801 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.430 -14.736 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.825 -14.690 -6.954 1.00 0.00 H new ATOM 0 HG SER A 41 -0.600 -16.148 -5.607 1.00 0.00 H new ATOM 643 N GLY A 42 -0.775 -11.095 -7.247 1.00 0.00 N ATOM 644 CA GLY A 42 -0.311 -10.496 -8.530 1.00 0.00 C ATOM 645 C GLY A 42 -1.188 -9.298 -8.898 1.00 0.00 C ATOM 646 O GLY A 42 -0.754 -8.390 -9.579 1.00 0.00 O ATOM 0 H GLY A 42 -1.040 -10.426 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.729 -10.181 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.349 -11.242 -9.324 1.00 0.00 H new ATOM 650 N ALA A 43 -2.421 -9.286 -8.467 1.00 0.00 N ATOM 651 CA ALA A 43 -3.310 -8.144 -8.813 1.00 0.00 C ATOM 652 C ALA A 43 -2.559 -6.827 -8.621 1.00 0.00 C ATOM 653 O ALA A 43 -1.786 -6.663 -7.695 1.00 0.00 O ATOM 654 CB ALA A 43 -4.550 -8.154 -7.927 1.00 0.00 C ATOM 0 H ALA A 43 -2.847 -10.014 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.615 -8.241 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.192 -7.313 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.095 -9.087 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.251 -8.069 -6.882 1.00 0.00 H new ATOM 660 N ALA A 44 -2.781 -5.890 -9.498 1.00 0.00 N ATOM 661 CA ALA A 44 -2.076 -4.581 -9.392 1.00 0.00 C ATOM 662 C ALA A 44 -3.009 -3.518 -8.814 1.00 0.00 C ATOM 663 O ALA A 44 -4.205 -3.533 -9.034 1.00 0.00 O ATOM 664 CB ALA A 44 -1.613 -4.143 -10.783 1.00 0.00 C ATOM 0 H ALA A 44 -3.422 -5.973 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.217 -4.695 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.097 -3.186 -10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.934 -4.891 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.478 -4.040 -11.439 1.00 0.00 H new ATOM 670 N LEU A 45 -2.462 -2.588 -8.081 1.00 0.00 N ATOM 671 CA LEU A 45 -3.295 -1.508 -7.487 1.00 0.00 C ATOM 672 C LEU A 45 -3.254 -0.278 -8.389 1.00 0.00 C ATOM 673 O LEU A 45 -2.218 0.073 -8.918 1.00 0.00 O ATOM 674 CB LEU A 45 -2.738 -1.134 -6.120 1.00 0.00 C ATOM 675 CG LEU A 45 -3.895 -0.927 -5.157 1.00 0.00 C ATOM 676 CD1 LEU A 45 -3.771 -1.929 -4.020 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.853 0.496 -4.600 1.00 0.00 C ATOM 0 H LEU A 45 -1.466 -2.531 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.322 -1.859 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.079 -1.921 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.140 -0.225 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.841 -1.075 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.596 -1.791 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.802 -2.942 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.826 -1.774 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.684 0.641 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.912 0.653 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.933 1.210 -5.420 1.00 0.00 H new ATOM 689 N ALA A 46 -4.370 0.386 -8.550 1.00 0.00 N ATOM 690 CA ALA A 46 -4.407 1.613 -9.409 1.00 0.00 C ATOM 691 C ALA A 46 -5.827 1.856 -9.936 1.00 0.00 C ATOM 692 O ALA A 46 -6.410 2.895 -9.679 1.00 0.00 O ATOM 693 CB ALA A 46 -3.461 1.453 -10.603 1.00 0.00 C ATOM 0 H ALA A 46 -5.261 0.132 -8.123 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.093 2.461 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.497 2.351 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.443 1.301 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.768 0.593 -11.198 1.00 0.00 H new ATOM 699 N PRO A 47 -6.340 0.893 -10.667 1.00 0.00 N ATOM 700 CA PRO A 47 -7.687 0.984 -11.262 1.00 0.00 C ATOM 701 C PRO A 47 -8.753 0.902 -10.174 1.00 0.00 C ATOM 702 O PRO A 47 -9.346 -0.132 -9.942 1.00 0.00 O ATOM 703 CB PRO A 47 -7.749 -0.215 -12.214 1.00 0.00 C ATOM 704 CG PRO A 47 -6.680 -1.214 -11.719 1.00 0.00 C ATOM 705 CD PRO A 47 -5.643 -0.382 -10.943 1.00 0.00 C ATOM 0 HA PRO A 47 -7.869 1.925 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.740 -0.669 -12.204 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.549 0.092 -13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.125 -1.976 -11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.215 -1.733 -12.557 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.341 -0.879 -10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.739 -0.223 -11.530 1.00 0.00 H new ATOM 713 N GLU A 48 -8.984 2.000 -9.507 1.00 0.00 N ATOM 714 CA GLU A 48 -9.991 2.037 -8.418 1.00 0.00 C ATOM 715 C GLU A 48 -9.678 3.204 -7.482 1.00 0.00 C ATOM 716 O GLU A 48 -10.505 3.600 -6.684 1.00 0.00 O ATOM 717 CB GLU A 48 -9.921 0.736 -7.628 1.00 0.00 C ATOM 718 CG GLU A 48 -11.139 -0.130 -7.953 1.00 0.00 C ATOM 719 CD GLU A 48 -10.965 -1.514 -7.325 1.00 0.00 C ATOM 720 OE1 GLU A 48 -10.840 -1.581 -6.113 1.00 0.00 O ATOM 721 OE2 GLU A 48 -10.959 -2.483 -8.066 1.00 0.00 O ATOM 0 H GLU A 48 -8.507 2.886 -9.677 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.987 2.160 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.005 0.199 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.889 0.949 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.045 0.342 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.256 -0.221 -9.033 1.00 0.00 H new ATOM 728 N LEU A 49 -8.493 3.761 -7.553 1.00 0.00 N ATOM 729 CA LEU A 49 -8.174 4.885 -6.643 1.00 0.00 C ATOM 730 C LEU A 49 -6.920 5.634 -7.099 1.00 0.00 C ATOM 731 O LEU A 49 -6.426 5.447 -8.194 1.00 0.00 O ATOM 732 CB LEU A 49 -7.949 4.335 -5.239 1.00 0.00 C ATOM 733 CG LEU A 49 -7.054 3.101 -5.299 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.663 3.450 -4.763 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.667 2.008 -4.432 1.00 0.00 C ATOM 0 H LEU A 49 -7.749 3.486 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.009 5.585 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.489 5.098 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.905 4.079 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.968 2.757 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.024 2.568 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.227 4.243 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.745 3.788 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.036 1.120 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.743 2.360 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.661 1.762 -4.806 1.00 0.00 H new ATOM 747 N LEU A 50 -6.410 6.489 -6.250 1.00 0.00 N ATOM 748 CA LEU A 50 -5.189 7.274 -6.599 1.00 0.00 C ATOM 749 C LEU A 50 -4.007 6.764 -5.773 1.00 0.00 C ATOM 750 O LEU A 50 -4.048 6.737 -4.552 1.00 0.00 O ATOM 751 CB LEU A 50 -5.428 8.754 -6.287 1.00 0.00 C ATOM 752 CG LEU A 50 -6.152 9.414 -7.460 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.641 10.803 -7.043 1.00 0.00 C ATOM 754 CD2 LEU A 50 -5.190 9.548 -8.643 1.00 0.00 C ATOM 0 H LEU A 50 -6.791 6.678 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.971 7.158 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.021 8.853 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.478 9.256 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.005 8.800 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.157 11.273 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.326 10.710 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.789 11.417 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.706 10.019 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.337 10.161 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.841 8.560 -8.942 1.00 0.00 H new ATOM 766 N VAL A 51 -2.957 6.347 -6.428 1.00 0.00 N ATOM 767 CA VAL A 51 -1.780 5.819 -5.687 1.00 0.00 C ATOM 768 C VAL A 51 -0.565 6.731 -5.878 1.00 0.00 C ATOM 769 O VAL A 51 -0.130 6.993 -6.982 1.00 0.00 O ATOM 770 CB VAL A 51 -1.456 4.417 -6.209 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.150 3.914 -5.589 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.593 3.466 -5.834 1.00 0.00 C ATOM 0 H VAL A 51 -2.865 6.350 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.016 5.781 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.344 4.455 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.071 2.916 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.663 4.591 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.253 3.877 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.367 2.466 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.700 3.437 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.523 3.817 -6.281 1.00 0.00 H new ATOM 782 N ASP A 52 -0.004 7.190 -4.794 1.00 0.00 N ATOM 783 CA ASP A 52 1.203 8.061 -4.868 1.00 0.00 C ATOM 784 C ASP A 52 2.310 7.404 -4.039 1.00 0.00 C ATOM 785 O ASP A 52 2.050 6.539 -3.225 1.00 0.00 O ATOM 786 CB ASP A 52 0.881 9.445 -4.298 1.00 0.00 C ATOM 787 CG ASP A 52 -0.157 9.311 -3.183 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.311 9.072 -3.500 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.218 9.449 -2.030 1.00 0.00 O ATOM 0 H ASP A 52 -0.334 6.996 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 52 1.522 8.179 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.788 9.910 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.501 10.095 -5.086 1.00 0.00 H new ATOM 794 N ALA A 53 3.542 7.777 -4.230 1.00 0.00 N ATOM 795 CA ALA A 53 4.609 7.118 -3.431 1.00 0.00 C ATOM 796 C ALA A 53 5.818 8.042 -3.258 1.00 0.00 C ATOM 797 O ALA A 53 5.803 9.189 -3.658 1.00 0.00 O ATOM 798 CB ALA A 53 5.023 5.824 -4.132 1.00 0.00 C ATOM 0 H ALA A 53 3.852 8.492 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 53 4.223 6.893 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.806 5.332 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.161 5.162 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.398 6.054 -5.129 1.00 0.00 H new ATOM 804 N LYS A 54 6.862 7.543 -2.648 1.00 0.00 N ATOM 805 CA LYS A 54 8.077 8.378 -2.422 1.00 0.00 C ATOM 806 C LYS A 54 9.291 7.477 -2.156 1.00 0.00 C ATOM 807 O LYS A 54 9.169 6.353 -1.713 1.00 0.00 O ATOM 808 CB LYS A 54 7.850 9.292 -1.216 1.00 0.00 C ATOM 809 CG LYS A 54 7.675 10.735 -1.694 1.00 0.00 C ATOM 810 CD LYS A 54 8.666 11.640 -0.959 1.00 0.00 C ATOM 811 CE LYS A 54 10.000 11.652 -1.708 1.00 0.00 C ATOM 812 NZ LYS A 54 10.478 13.056 -1.848 1.00 0.00 N ATOM 0 H LYS A 54 6.924 6.588 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 54 8.266 8.981 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.966 8.971 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.695 9.225 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.840 10.795 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.654 11.069 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.267 12.652 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.813 11.284 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.737 11.058 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.881 11.197 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.385 13.065 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.777 13.610 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.606 13.475 -0.905 1.00 0.00 H new ATOM 826 N SER A 55 10.464 7.968 -2.432 1.00 0.00 N ATOM 827 CA SER A 55 11.696 7.156 -2.220 1.00 0.00 C ATOM 828 C SER A 55 11.676 6.447 -0.857 1.00 0.00 C ATOM 829 O SER A 55 11.673 5.237 -0.782 1.00 0.00 O ATOM 830 CB SER A 55 12.918 8.071 -2.291 1.00 0.00 C ATOM 831 OG SER A 55 12.805 8.917 -3.428 1.00 0.00 O ATOM 0 H SER A 55 10.626 8.906 -2.799 1.00 0.00 H new ATOM 0 HA SER A 55 11.740 6.395 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.992 8.670 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.829 7.476 -2.355 1.00 0.00 H new ATOM 0 HG SER A 55 13.586 9.507 -3.476 1.00 0.00 H new ATOM 837 N SER A 56 11.699 7.181 0.221 1.00 0.00 N ATOM 838 CA SER A 56 11.725 6.524 1.564 1.00 0.00 C ATOM 839 C SER A 56 10.315 6.389 2.138 1.00 0.00 C ATOM 840 O SER A 56 10.137 6.244 3.332 1.00 0.00 O ATOM 841 CB SER A 56 12.578 7.362 2.516 1.00 0.00 C ATOM 842 OG SER A 56 12.433 8.737 2.189 1.00 0.00 O ATOM 0 H SER A 56 11.701 8.201 0.234 1.00 0.00 H new ATOM 0 HA SER A 56 12.149 5.526 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.271 7.187 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.625 7.067 2.441 1.00 0.00 H new ATOM 0 HG SER A 56 12.977 9.277 2.799 1.00 0.00 H new ATOM 848 N THR A 57 9.310 6.427 1.318 1.00 0.00 N ATOM 849 CA THR A 57 7.929 6.295 1.865 1.00 0.00 C ATOM 850 C THR A 57 6.937 6.192 0.724 1.00 0.00 C ATOM 851 O THR A 57 7.307 6.112 -0.422 1.00 0.00 O ATOM 852 CB THR A 57 7.604 7.530 2.707 1.00 0.00 C ATOM 853 OG1 THR A 57 6.433 7.296 3.474 1.00 0.00 O ATOM 854 CG2 THR A 57 7.372 8.714 1.777 1.00 0.00 C ATOM 0 H THR A 57 9.377 6.542 0.307 1.00 0.00 H new ATOM 0 HA THR A 57 7.865 5.398 2.482 1.00 0.00 H new ATOM 0 HB THR A 57 8.434 7.742 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.138 6.370 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.139 9.600 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.271 8.896 1.188 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.539 8.494 1.109 1.00 0.00 H new ATOM 862 N THR A 58 5.676 6.208 1.026 1.00 0.00 N ATOM 863 CA THR A 58 4.678 6.130 -0.058 1.00 0.00 C ATOM 864 C THR A 58 3.272 6.162 0.531 1.00 0.00 C ATOM 865 O THR A 58 3.062 5.840 1.683 1.00 0.00 O ATOM 866 CB THR A 58 4.872 4.829 -0.836 1.00 0.00 C ATOM 867 OG1 THR A 58 4.075 4.861 -2.005 1.00 0.00 O ATOM 868 CG2 THR A 58 4.452 3.642 0.031 1.00 0.00 C ATOM 0 H THR A 58 5.297 6.271 1.971 1.00 0.00 H new ATOM 0 HA THR A 58 4.808 6.980 -0.727 1.00 0.00 H new ATOM 0 HB THR A 58 5.922 4.723 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.325 4.117 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.592 2.716 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.062 3.617 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.402 3.745 0.305 1.00 0.00 H new ATOM 876 N SER A 59 2.305 6.534 -0.256 1.00 0.00 N ATOM 877 CA SER A 59 0.912 6.568 0.255 1.00 0.00 C ATOM 878 C SER A 59 -0.041 6.520 -0.923 1.00 0.00 C ATOM 879 O SER A 59 0.214 7.076 -1.968 1.00 0.00 O ATOM 880 CB SER A 59 0.681 7.842 1.068 1.00 0.00 C ATOM 881 OG SER A 59 0.853 8.974 0.225 1.00 0.00 O ATOM 0 H SER A 59 2.420 6.815 -1.230 1.00 0.00 H new ATOM 0 HA SER A 59 0.737 5.710 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.323 7.839 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.380 7.886 1.903 1.00 0.00 H new ATOM 0 HG SER A 59 0.691 8.716 -0.706 1.00 0.00 H new ATOM 887 N ILE A 60 -1.125 5.831 -0.770 1.00 0.00 N ATOM 888 CA ILE A 60 -2.081 5.705 -1.894 1.00 0.00 C ATOM 889 C ILE A 60 -3.496 5.837 -1.343 1.00 0.00 C ATOM 890 O ILE A 60 -3.892 5.114 -0.458 1.00 0.00 O ATOM 891 CB ILE A 60 -1.834 4.341 -2.546 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.421 3.218 -1.687 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.319 4.134 -2.641 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.240 1.882 -2.405 1.00 0.00 C ATOM 0 H ILE A 60 -1.393 5.347 0.087 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.949 6.483 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.306 4.318 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.926 3.191 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.479 3.403 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.112 3.168 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.119 4.927 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.115 4.159 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.658 1.081 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.755 1.912 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.178 1.698 -2.568 1.00 0.00 H new ATOM 906 N PHE A 61 -4.254 6.786 -1.821 1.00 0.00 N ATOM 907 CA PHE A 61 -5.619 6.967 -1.253 1.00 0.00 C ATOM 908 C PHE A 61 -6.699 6.435 -2.167 1.00 0.00 C ATOM 909 O PHE A 61 -6.535 6.322 -3.361 1.00 0.00 O ATOM 910 CB PHE A 61 -5.920 8.446 -0.998 1.00 0.00 C ATOM 911 CG PHE A 61 -5.076 9.338 -1.848 1.00 0.00 C ATOM 912 CD1 PHE A 61 -5.508 9.704 -3.124 1.00 0.00 C ATOM 913 CD2 PHE A 61 -3.882 9.836 -1.336 1.00 0.00 C ATOM 914 CE1 PHE A 61 -4.737 10.573 -3.895 1.00 0.00 C ATOM 915 CE2 PHE A 61 -3.104 10.698 -2.098 1.00 0.00 C ATOM 916 CZ PHE A 61 -3.528 11.073 -3.384 1.00 0.00 C ATOM 0 H PHE A 61 -3.994 7.432 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.625 6.405 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.973 8.643 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.748 8.676 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.437 9.315 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.560 9.552 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.068 10.861 -4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.174 11.080 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.926 11.744 -3.978 1.00 0.00 H new ATOM 926 N PHE A 62 -7.825 6.143 -1.576 1.00 0.00 N ATOM 927 CA PHE A 62 -8.994 5.645 -2.334 1.00 0.00 C ATOM 928 C PHE A 62 -10.042 6.753 -2.349 1.00 0.00 C ATOM 929 O PHE A 62 -10.880 6.815 -1.477 1.00 0.00 O ATOM 930 CB PHE A 62 -9.572 4.414 -1.637 1.00 0.00 C ATOM 931 CG PHE A 62 -8.450 3.567 -1.088 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.202 3.567 -1.717 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.665 2.772 0.041 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.167 2.769 -1.219 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.629 1.976 0.543 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.380 1.973 -0.089 1.00 0.00 C ATOM 0 H PHE A 62 -7.981 6.233 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.703 5.373 -3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.238 4.720 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.169 3.833 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.037 4.184 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.630 2.772 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.204 2.767 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.793 1.364 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.581 1.356 0.296 1.00 0.00 H new ATOM 946 N PRO A 63 -9.957 7.602 -3.333 1.00 0.00 N ATOM 947 CA PRO A 63 -10.885 8.736 -3.474 1.00 0.00 C ATOM 948 C PRO A 63 -12.266 8.217 -3.867 1.00 0.00 C ATOM 949 O PRO A 63 -13.253 8.923 -3.818 1.00 0.00 O ATOM 950 CB PRO A 63 -10.253 9.577 -4.585 1.00 0.00 C ATOM 951 CG PRO A 63 -9.352 8.613 -5.386 1.00 0.00 C ATOM 952 CD PRO A 63 -8.951 7.500 -4.408 1.00 0.00 C ATOM 0 HA PRO A 63 -11.028 9.313 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.018 10.018 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.672 10.400 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.884 8.205 -6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.473 9.130 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.972 6.520 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.941 7.647 -4.026 1.00 0.00 H new ATOM 960 N SER A 64 -12.330 6.974 -4.244 1.00 0.00 N ATOM 961 CA SER A 64 -13.630 6.365 -4.634 1.00 0.00 C ATOM 962 C SER A 64 -13.677 4.919 -4.131 1.00 0.00 C ATOM 963 O SER A 64 -13.772 3.991 -4.910 1.00 0.00 O ATOM 964 CB SER A 64 -13.758 6.373 -6.159 1.00 0.00 C ATOM 965 OG SER A 64 -13.348 7.640 -6.657 1.00 0.00 O ATOM 0 H SER A 64 -11.528 6.346 -4.300 1.00 0.00 H new ATOM 0 HA SER A 64 -14.449 6.936 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.144 5.583 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.789 6.171 -6.450 1.00 0.00 H new ATOM 0 HG SER A 64 -13.427 7.649 -7.634 1.00 0.00 H new ATOM 971 N ALA A 65 -13.607 4.709 -2.840 1.00 0.00 N ATOM 972 CA ALA A 65 -13.645 3.316 -2.323 1.00 0.00 C ATOM 973 C ALA A 65 -15.092 2.858 -2.189 1.00 0.00 C ATOM 974 O ALA A 65 -15.966 3.611 -1.795 1.00 0.00 O ATOM 975 CB ALA A 65 -12.964 3.241 -0.961 1.00 0.00 C ATOM 0 H ALA A 65 -13.526 5.438 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.118 2.667 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.998 2.216 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.925 3.558 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.481 3.896 -0.259 1.00 0.00 H new ATOM 981 N LYS A 66 -15.342 1.621 -2.510 1.00 0.00 N ATOM 982 CA LYS A 66 -16.723 1.076 -2.414 1.00 0.00 C ATOM 983 C LYS A 66 -16.654 -0.425 -2.134 1.00 0.00 C ATOM 984 O LYS A 66 -15.592 -0.980 -1.947 1.00 0.00 O ATOM 985 CB LYS A 66 -17.459 1.316 -3.734 1.00 0.00 C ATOM 986 CG LYS A 66 -18.895 1.758 -3.449 1.00 0.00 C ATOM 987 CD LYS A 66 -19.819 1.242 -4.554 1.00 0.00 C ATOM 988 CE LYS A 66 -21.196 1.893 -4.413 1.00 0.00 C ATOM 989 NZ LYS A 66 -22.249 0.923 -4.826 1.00 0.00 N ATOM 0 H LYS A 66 -14.641 0.957 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.258 1.575 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.942 2.079 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.460 0.405 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.219 1.375 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.948 2.845 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.396 1.470 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.909 0.158 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.359 2.205 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.251 2.790 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.185 1.365 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.097 0.646 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.201 0.079 -4.220 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.777 -1.086 -2.103 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.768 -2.552 -1.835 1.00 0.00 C ATOM 1005 C ARG A 67 -16.667 -3.216 -2.667 1.00 0.00 C ATOM 1006 O ARG A 67 -15.910 -4.029 -2.176 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.125 -3.145 -2.216 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.299 -4.503 -1.533 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.707 -5.035 -1.806 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.113 -5.955 -0.706 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.072 -5.549 0.534 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -21.384 -4.316 0.827 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -20.719 -6.376 1.480 1.00 0.00 N ATOM 0 H ARG A 67 -18.699 -0.676 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.578 -2.729 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.926 -2.470 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.193 -3.259 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.554 -5.207 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.137 -4.405 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.412 -4.207 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.730 -5.560 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.423 -6.902 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.660 -3.670 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.352 -3.998 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.475 -7.339 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.687 -6.059 2.449 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.579 -2.880 -3.925 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.540 -3.490 -4.794 1.00 0.00 C ATOM 1029 C ALA A 68 -14.145 -3.177 -4.246 1.00 0.00 C ATOM 1030 O ALA A 68 -13.261 -4.010 -4.261 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.666 -2.924 -6.208 1.00 0.00 C ATOM 0 H ALA A 68 -17.187 -2.205 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.682 -4.571 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.905 -3.370 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.654 -3.155 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.529 -1.843 -6.181 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.938 -1.980 -3.768 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.597 -1.615 -3.227 1.00 0.00 C ATOM 1039 C ASP A 69 -12.167 -2.641 -2.179 1.00 0.00 C ATOM 1040 O ASP A 69 -10.998 -2.787 -1.882 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.667 -0.229 -2.585 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.384 0.033 -1.794 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -10.369 -0.550 -2.139 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.437 0.813 -0.857 1.00 0.00 O ATOM 0 H ASP A 69 -14.638 -1.240 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.871 -1.604 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.795 0.533 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.533 -0.165 -1.926 1.00 0.00 H new ATOM 1049 N SER A 70 -13.102 -3.356 -1.616 1.00 0.00 N ATOM 1050 CA SER A 70 -12.740 -4.373 -0.588 1.00 0.00 C ATOM 1051 C SER A 70 -11.735 -5.359 -1.186 1.00 0.00 C ATOM 1052 O SER A 70 -12.104 -6.313 -1.842 1.00 0.00 O ATOM 1053 CB SER A 70 -13.998 -5.126 -0.154 1.00 0.00 C ATOM 1054 OG SER A 70 -14.343 -6.077 -1.153 1.00 0.00 O ATOM 0 H SER A 70 -14.098 -3.281 -1.822 1.00 0.00 H new ATOM 0 HA SER A 70 -12.297 -3.879 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.825 -5.628 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.820 -4.427 -0.001 1.00 0.00 H new ATOM 0 HG SER A 70 -13.731 -5.989 -1.913 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.467 -5.136 -0.971 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.447 -6.064 -1.537 1.00 0.00 C ATOM 1062 C GLY A 71 -8.245 -6.159 -0.595 1.00 0.00 C ATOM 1063 O GLY A 71 -8.265 -5.659 0.516 1.00 0.00 O ATOM 0 H GLY A 71 -10.095 -4.355 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.884 -7.052 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.125 -5.710 -2.516 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.193 -6.796 -1.035 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.986 -6.927 -0.173 1.00 0.00 C ATOM 1069 C ASN A 72 -4.902 -5.977 -0.681 1.00 0.00 C ATOM 1070 O ASN A 72 -4.109 -6.322 -1.535 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.474 -8.368 -0.228 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.372 -9.266 0.625 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.747 -10.343 0.207 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.736 -8.866 1.813 1.00 0.00 N ATOM 0 H ASN A 72 -7.119 -7.231 -1.955 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.240 -6.675 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.464 -8.722 -1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.447 -8.414 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.335 -9.458 2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.422 -7.962 2.165 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.865 -4.780 -0.166 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.839 -3.804 -0.621 1.00 0.00 C ATOM 1083 C TYR A 73 -2.458 -4.241 -0.129 1.00 0.00 C ATOM 1084 O TYR A 73 -2.057 -3.941 0.979 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.177 -2.420 -0.064 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.281 -1.811 -0.894 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.589 -2.298 -0.783 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.996 -0.767 -1.782 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.612 -1.740 -1.558 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.018 -0.210 -2.559 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.327 -0.697 -2.447 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.336 -0.149 -3.212 1.00 0.00 O ATOM 0 H TYR A 73 -5.503 -4.436 0.552 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.830 -3.763 -1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.489 -2.499 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.295 -1.780 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.809 -3.105 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.987 -0.391 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.621 -2.114 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.798 0.595 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.194 -0.547 -2.955 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.727 -4.947 -0.947 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.371 -5.406 -0.536 1.00 0.00 C ATOM 1104 C LYS A 74 0.681 -4.474 -1.141 1.00 0.00 C ATOM 1105 O LYS A 74 0.417 -3.757 -2.086 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.141 -6.831 -1.046 1.00 0.00 C ATOM 1107 CG LYS A 74 0.890 -7.533 -0.161 1.00 0.00 C ATOM 1108 CD LYS A 74 1.163 -8.935 -0.710 1.00 0.00 C ATOM 1109 CE LYS A 74 1.583 -9.860 0.433 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.368 -10.430 1.082 1.00 0.00 N ATOM 0 H LYS A 74 -2.012 -5.227 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.292 -5.391 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.079 -7.386 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.208 -6.807 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.814 -6.956 -0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.523 -7.597 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.270 -9.326 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.948 -8.894 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.215 -10.662 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.174 -9.308 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.653 -11.059 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.219 -9.658 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.178 -10.971 0.382 1.00 0.00 H new ATOM 1124 N LEU A 75 1.872 -4.475 -0.606 1.00 0.00 N ATOM 1125 CA LEU A 75 2.933 -3.585 -1.157 1.00 0.00 C ATOM 1126 C LEU A 75 4.303 -4.232 -0.953 1.00 0.00 C ATOM 1127 O LEU A 75 4.578 -4.815 0.074 1.00 0.00 O ATOM 1128 CB LEU A 75 2.891 -2.233 -0.436 1.00 0.00 C ATOM 1129 CG LEU A 75 4.170 -1.440 -0.733 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.818 -0.146 -1.461 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.876 -1.103 0.582 1.00 0.00 C ATOM 0 H LEU A 75 2.155 -5.052 0.186 1.00 0.00 H new ATOM 0 HA LEU A 75 2.761 -3.434 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.018 -1.666 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.790 -2.387 0.638 1.00 0.00 H new ATOM 0 HG LEU A 75 4.828 -2.041 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.730 0.414 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.314 -0.381 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.158 0.455 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.785 -0.539 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.214 -0.504 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.133 -2.025 1.104 1.00 0.00 H new ATOM 1143 N LYS A 76 5.167 -4.121 -1.924 1.00 0.00 N ATOM 1144 CA LYS A 76 6.526 -4.720 -1.784 1.00 0.00 C ATOM 1145 C LYS A 76 7.577 -3.668 -2.141 1.00 0.00 C ATOM 1146 O LYS A 76 7.729 -3.299 -3.288 1.00 0.00 O ATOM 1147 CB LYS A 76 6.659 -5.917 -2.728 1.00 0.00 C ATOM 1148 CG LYS A 76 7.207 -7.119 -1.956 1.00 0.00 C ATOM 1149 CD LYS A 76 7.294 -8.330 -2.888 1.00 0.00 C ATOM 1150 CE LYS A 76 8.676 -8.972 -2.764 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.546 -10.316 -2.133 1.00 0.00 N ATOM 0 H LYS A 76 4.992 -3.642 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 76 6.675 -5.054 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.689 -6.161 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.324 -5.669 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.192 -6.886 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.560 -7.345 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.521 -9.055 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.115 -8.023 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.136 -9.064 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.330 -8.339 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.486 -10.752 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.125 -10.216 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.936 -10.918 -2.722 1.00 0.00 H new ATOM 1165 N VAL A 77 8.305 -3.175 -1.174 1.00 0.00 N ATOM 1166 CA VAL A 77 9.337 -2.144 -1.487 1.00 0.00 C ATOM 1167 C VAL A 77 10.727 -2.705 -1.191 1.00 0.00 C ATOM 1168 O VAL A 77 10.976 -3.262 -0.142 1.00 0.00 O ATOM 1169 CB VAL A 77 9.076 -0.861 -0.673 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.594 -0.765 -0.337 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.876 -0.861 0.632 1.00 0.00 C ATOM 0 H VAL A 77 8.231 -3.438 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 77 9.282 -1.887 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 77 9.388 -0.009 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.409 0.142 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.013 -0.734 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.297 -1.634 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.671 0.056 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.586 -1.721 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.941 -0.918 0.406 1.00 0.00 H new ATOM 1181 N LYS A 78 11.626 -2.566 -2.119 1.00 0.00 N ATOM 1182 CA LYS A 78 13.005 -3.099 -1.914 1.00 0.00 C ATOM 1183 C LYS A 78 14.044 -2.008 -2.180 1.00 0.00 C ATOM 1184 O LYS A 78 13.724 -0.844 -2.307 1.00 0.00 O ATOM 1185 CB LYS A 78 13.253 -4.270 -2.872 1.00 0.00 C ATOM 1186 CG LYS A 78 12.333 -4.157 -4.091 1.00 0.00 C ATOM 1187 CD LYS A 78 12.444 -5.429 -4.934 1.00 0.00 C ATOM 1188 CE LYS A 78 13.890 -5.607 -5.402 1.00 0.00 C ATOM 1189 NZ LYS A 78 14.226 -4.546 -6.394 1.00 0.00 N ATOM 0 H LYS A 78 11.469 -2.105 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 78 13.097 -3.437 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.295 -4.274 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.074 -5.214 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.302 -4.010 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.608 -3.287 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.131 -6.294 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.777 -5.367 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.568 -5.552 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.020 -6.592 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.098 -4.805 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.448 -4.450 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.367 -3.641 -5.901 1.00 0.00 H new ATOM 1203 N ASN A 79 15.291 -2.387 -2.262 1.00 0.00 N ATOM 1204 CA ASN A 79 16.372 -1.393 -2.519 1.00 0.00 C ATOM 1205 C ASN A 79 17.727 -2.104 -2.488 1.00 0.00 C ATOM 1206 O ASN A 79 17.948 -2.998 -1.697 1.00 0.00 O ATOM 1207 CB ASN A 79 16.347 -0.311 -1.438 1.00 0.00 C ATOM 1208 CG ASN A 79 17.151 0.901 -1.914 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.601 1.959 -2.146 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.442 0.791 -2.071 1.00 0.00 N ATOM 0 H ASN A 79 15.609 -3.351 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 79 16.216 -0.933 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.319 -0.018 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.767 -0.699 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.987 1.593 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.906 -0.097 -1.877 1.00 0.00 H new ATOM 1217 N GLU A 80 18.635 -1.710 -3.340 1.00 0.00 N ATOM 1218 CA GLU A 80 19.979 -2.356 -3.362 1.00 0.00 C ATOM 1219 C GLU A 80 19.836 -3.871 -3.179 1.00 0.00 C ATOM 1220 O GLU A 80 19.628 -4.601 -4.128 1.00 0.00 O ATOM 1221 CB GLU A 80 20.836 -1.778 -2.235 1.00 0.00 C ATOM 1222 CG GLU A 80 21.758 -0.694 -2.799 1.00 0.00 C ATOM 1223 CD GLU A 80 23.186 -0.931 -2.305 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.576 -2.083 -2.210 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.867 0.044 -2.031 1.00 0.00 O ATOM 0 H GLU A 80 18.503 -0.965 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 80 20.457 -2.161 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.198 -1.359 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.427 -2.568 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.731 -0.710 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.412 0.291 -2.486 1.00 0.00 H new ATOM 1232 N LEU A 81 19.951 -4.353 -1.968 1.00 0.00 N ATOM 1233 CA LEU A 81 19.825 -5.822 -1.740 1.00 0.00 C ATOM 1234 C LEU A 81 18.767 -6.098 -0.669 1.00 0.00 C ATOM 1235 O LEU A 81 18.362 -7.224 -0.460 1.00 0.00 O ATOM 1236 CB LEU A 81 21.172 -6.384 -1.280 1.00 0.00 C ATOM 1237 CG LEU A 81 21.885 -7.037 -2.465 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.217 -5.971 -3.511 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.179 -7.694 -1.980 1.00 0.00 C ATOM 0 H LEU A 81 20.126 -3.795 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 81 19.525 -6.302 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.788 -5.586 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.021 -7.115 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 81 21.236 -7.792 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.725 -6.436 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.296 -5.500 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.866 -5.216 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.689 -8.160 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.827 -6.938 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.944 -8.453 -1.234 1.00 0.00 H new ATOM 1251 N GLY A 82 18.316 -5.082 0.007 1.00 0.00 N ATOM 1252 CA GLY A 82 17.283 -5.287 1.061 1.00 0.00 C ATOM 1253 C GLY A 82 15.896 -5.284 0.419 1.00 0.00 C ATOM 1254 O GLY A 82 15.680 -4.673 -0.608 1.00 0.00 O ATOM 0 H GLY A 82 18.617 -4.116 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.456 -6.232 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.351 -4.499 1.811 1.00 0.00 H new ATOM 1258 N GLU A 83 14.951 -5.962 1.011 1.00 0.00 N ATOM 1259 CA GLU A 83 13.582 -5.991 0.424 1.00 0.00 C ATOM 1260 C GLU A 83 12.540 -5.980 1.543 1.00 0.00 C ATOM 1261 O GLU A 83 12.814 -6.357 2.665 1.00 0.00 O ATOM 1262 CB GLU A 83 13.414 -7.257 -0.420 1.00 0.00 C ATOM 1263 CG GLU A 83 13.571 -8.490 0.472 1.00 0.00 C ATOM 1264 CD GLU A 83 14.316 -9.584 -0.295 1.00 0.00 C ATOM 1265 OE1 GLU A 83 13.710 -10.189 -1.164 1.00 0.00 O ATOM 1266 OE2 GLU A 83 15.481 -9.798 -0.001 1.00 0.00 O ATOM 0 H GLU A 83 15.067 -6.495 1.873 1.00 0.00 H new ATOM 0 HA GLU A 83 13.442 -5.113 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.433 -7.262 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.156 -7.276 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.118 -8.229 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.592 -8.853 0.785 1.00 0.00 H new ATOM 1273 N ASP A 84 11.347 -5.545 1.245 1.00 0.00 N ATOM 1274 CA ASP A 84 10.286 -5.503 2.287 1.00 0.00 C ATOM 1275 C ASP A 84 8.912 -5.439 1.617 1.00 0.00 C ATOM 1276 O ASP A 84 8.803 -5.358 0.408 1.00 0.00 O ATOM 1277 CB ASP A 84 10.484 -4.266 3.158 1.00 0.00 C ATOM 1278 CG ASP A 84 10.119 -4.595 4.607 1.00 0.00 C ATOM 1279 OD1 ASP A 84 9.471 -5.606 4.819 1.00 0.00 O ATOM 1280 OD2 ASP A 84 10.495 -3.830 5.480 1.00 0.00 O ATOM 0 H ASP A 84 11.062 -5.216 0.322 1.00 0.00 H new ATOM 0 HA ASP A 84 10.346 -6.399 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.519 -3.930 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.863 -3.448 2.793 1.00 0.00 H new ATOM 1285 N GLU A 85 7.860 -5.477 2.389 1.00 0.00 N ATOM 1286 CA GLU A 85 6.502 -5.429 1.794 1.00 0.00 C ATOM 1287 C GLU A 85 5.470 -5.118 2.883 1.00 0.00 C ATOM 1288 O GLU A 85 5.443 -5.744 3.924 1.00 0.00 O ATOM 1289 CB GLU A 85 6.212 -6.789 1.150 1.00 0.00 C ATOM 1290 CG GLU A 85 5.635 -7.765 2.183 1.00 0.00 C ATOM 1291 CD GLU A 85 5.899 -9.202 1.730 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.053 -9.407 0.537 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.942 -10.072 2.583 1.00 0.00 O ATOM 0 H GLU A 85 7.886 -5.539 3.407 1.00 0.00 H new ATOM 0 HA GLU A 85 6.444 -4.646 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.508 -6.665 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.129 -7.200 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.090 -7.590 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.564 -7.599 2.297 1.00 0.00 H new ATOM 1300 N ALA A 86 4.617 -4.161 2.648 1.00 0.00 N ATOM 1301 CA ALA A 86 3.585 -3.818 3.663 1.00 0.00 C ATOM 1302 C ALA A 86 2.296 -4.576 3.340 1.00 0.00 C ATOM 1303 O ALA A 86 2.074 -4.992 2.220 1.00 0.00 O ATOM 1304 CB ALA A 86 3.318 -2.313 3.630 1.00 0.00 C ATOM 0 H ALA A 86 4.590 -3.601 1.796 1.00 0.00 H new ATOM 0 HA ALA A 86 3.936 -4.098 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.562 -2.061 4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.239 -1.775 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.962 -2.028 2.640 1.00 0.00 H new ATOM 1310 N ILE A 87 1.444 -4.761 4.310 1.00 0.00 N ATOM 1311 CA ILE A 87 0.173 -5.495 4.053 1.00 0.00 C ATOM 1312 C ILE A 87 -1.008 -4.631 4.495 1.00 0.00 C ATOM 1313 O ILE A 87 -1.019 -4.090 5.584 1.00 0.00 O ATOM 1314 CB ILE A 87 0.178 -6.811 4.837 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.922 -7.732 4.299 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.070 -6.531 6.322 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.295 -7.122 4.589 1.00 0.00 C ATOM 0 H ILE A 87 1.572 -4.436 5.268 1.00 0.00 H new ATOM 0 HA ILE A 87 0.082 -5.712 2.989 1.00 0.00 H new ATOM 0 HB ILE A 87 1.148 -7.295 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.797 -7.875 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.845 -8.715 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.065 -7.470 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.716 -5.880 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.037 -6.043 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.074 -7.780 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.420 -7.002 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.371 -6.149 4.104 1.00 0.00 H new ATOM 1329 N PHE A 88 -2.001 -4.490 3.662 1.00 0.00 N ATOM 1330 CA PHE A 88 -3.170 -3.653 4.045 1.00 0.00 C ATOM 1331 C PHE A 88 -4.468 -4.324 3.591 1.00 0.00 C ATOM 1332 O PHE A 88 -4.884 -4.187 2.458 1.00 0.00 O ATOM 1333 CB PHE A 88 -3.059 -2.279 3.381 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.671 -1.725 3.584 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.317 -1.149 4.809 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.737 -1.786 2.544 1.00 0.00 C ATOM 1337 CE1 PHE A 88 -0.027 -0.635 4.993 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.551 -1.272 2.728 1.00 0.00 C ATOM 1339 CZ PHE A 88 0.906 -0.696 3.953 1.00 0.00 C ATOM 0 H PHE A 88 -2.053 -4.916 2.737 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.181 -3.540 5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.276 -2.361 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.798 -1.599 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.038 -1.101 5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.011 -2.230 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.247 -0.191 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.271 -1.320 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.900 -0.299 4.095 1.00 0.00 H new ATOM 1349 N GLU A 89 -5.126 -5.025 4.472 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.410 -5.673 4.094 1.00 0.00 C ATOM 1351 C GLU A 89 -7.492 -4.598 4.125 1.00 0.00 C ATOM 1352 O GLU A 89 -7.892 -4.139 5.177 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.748 -6.777 5.099 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.604 -7.846 4.417 1.00 0.00 C ATOM 1355 CD GLU A 89 -8.534 -8.490 5.447 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.863 -7.826 6.416 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -8.901 -9.637 5.249 1.00 0.00 O ATOM 0 H GLU A 89 -4.829 -5.176 5.436 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.339 -6.120 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.832 -7.223 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.283 -6.357 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.189 -7.400 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.965 -8.604 3.964 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.944 -4.161 2.984 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.966 -3.082 2.968 1.00 0.00 C ATOM 1366 C VAL A 90 -10.347 -3.648 2.650 1.00 0.00 C ATOM 1367 O VAL A 90 -10.599 -4.137 1.566 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.583 -2.046 1.912 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.386 -0.766 2.139 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -7.088 -1.737 2.027 1.00 0.00 C ATOM 0 H VAL A 90 -7.652 -4.502 2.068 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.003 -2.617 3.953 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.801 -2.439 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.113 -0.027 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.451 -0.986 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.168 -0.371 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.810 -0.998 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.873 -1.343 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.514 -2.650 1.868 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.252 -3.559 3.584 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.627 -4.059 3.341 1.00 0.00 C ATOM 1382 C ILE A 91 -13.568 -2.861 3.243 1.00 0.00 C ATOM 1383 O ILE A 91 -13.226 -1.756 3.625 1.00 0.00 O ATOM 1384 CB ILE A 91 -13.079 -4.956 4.487 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.285 -6.265 4.459 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.568 -5.253 4.311 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.984 -6.088 5.244 1.00 0.00 C ATOM 0 H ILE A 91 -11.094 -3.159 4.509 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.642 -4.637 2.417 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.908 -4.459 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.877 -7.071 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.066 -6.548 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.910 -5.895 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -15.130 -4.319 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.728 -5.758 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.418 -7.019 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.391 -5.293 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.215 -5.825 6.276 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.745 -3.063 2.721 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.692 -1.927 2.580 1.00 0.00 C ATOM 1401 C VAL A 92 -17.059 -2.305 3.151 1.00 0.00 C ATOM 1402 O VAL A 92 -17.492 -3.437 3.059 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.828 -1.587 1.099 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.531 -0.239 0.938 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.432 -1.517 0.474 1.00 0.00 C ATOM 0 H VAL A 92 -15.090 -3.963 2.387 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.314 -1.065 3.129 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.418 -2.356 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.625 -0.002 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.523 -0.290 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.947 0.537 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.519 -1.274 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.847 -0.746 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.935 -2.480 0.586 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.744 -1.361 3.738 1.00 0.00 N ATOM 1416 CA GLN A 93 -19.086 -1.659 4.314 1.00 0.00 C ATOM 1417 C GLN A 93 -20.023 -0.477 4.055 1.00 0.00 C ATOM 1418 O GLN A 93 -21.173 -0.560 4.453 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.957 -1.887 5.821 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.891 -3.389 6.106 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.575 -3.717 6.814 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -16.514 -3.601 6.233 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.600 -4.127 8.053 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.574 0.491 3.463 1.00 0.00 O ATOM 0 H GLN A 93 -17.432 -0.396 3.843 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.492 -2.556 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.061 -1.395 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.807 -1.444 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.735 -3.689 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.965 -3.950 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.491 -4.224 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.729 -4.350 8.534 1.00 0.00 H new TER 1433 GLN A 93