USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 138:sc= 1.66 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0765) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.27 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc=-0.00627 X(o=-0.0063,f=-0.0027) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.815 (180deg=0.221!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.0761 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 25 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 2.34 (180deg=1.96) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.092) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0656 K(o=-0.066,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 0.186 K(o=0.19,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.0018) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.511 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.024 K(o=-0.024,f=-0.84) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 111:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.861 -4.365 -3.980 1.00 0.78 N ATOM 2 CA MET A 1 12.561 -4.333 -2.532 1.00 0.70 C ATOM 3 C MET A 1 11.219 -4.928 -2.278 1.00 0.62 C ATOM 4 O MET A 1 10.147 -4.492 -2.696 1.00 0.68 O ATOM 5 CB MET A 1 12.661 -2.870 -2.066 1.00 0.75 C ATOM 6 CG MET A 1 12.572 -2.698 -0.548 1.00 0.79 C ATOM 7 SD MET A 1 12.639 -1.000 0.096 1.00 1.10 S ATOM 8 CE MET A 1 11.071 -0.335 -0.534 1.00 0.84 C ATOM 0 H1 MET A 1 13.891 -4.327 -4.122 1.00 0.78 H new ATOM 0 H2 MET A 1 12.486 -5.243 -4.393 1.00 0.78 H new ATOM 0 H3 MET A 1 12.417 -3.547 -4.445 1.00 0.78 H new ATOM 0 HA MET A 1 13.274 -4.930 -1.963 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.605 -2.451 -2.415 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.863 -2.294 -2.535 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.640 -3.152 -0.210 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.386 -3.264 -0.095 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.905 0.660 -0.120 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.113 -0.273 -1.621 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.253 -0.992 -0.239 1.00 0.84 H new ATOM 20 N GLN A 2 11.221 -6.019 -1.491 1.00 0.59 N ATOM 21 CA GLN A 2 10.027 -6.703 -1.106 1.00 0.56 C ATOM 22 C GLN A 2 9.193 -5.909 -0.160 1.00 0.50 C ATOM 23 O GLN A 2 9.762 -5.545 0.867 1.00 0.60 O ATOM 24 CB GLN A 2 10.483 -7.997 -0.411 1.00 0.71 C ATOM 25 CG GLN A 2 9.339 -9.010 -0.347 1.00 1.15 C ATOM 26 CD GLN A 2 9.896 -10.423 -0.235 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.948 -11.057 0.817 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.430 -10.933 -1.376 1.00 1.72 N ATOM 0 H GLN A 2 12.073 -6.435 -1.114 1.00 0.59 H new ATOM 0 HA GLN A 2 9.411 -6.886 -1.986 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.326 -8.428 -0.951 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.831 -7.771 0.597 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.699 -8.794 0.509 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.718 -8.925 -1.239 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.382 -10.400 -2.244 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.879 -11.849 -1.364 1.00 1.72 H new ATOM 37 N ILE A 3 7.889 -5.702 -0.420 1.00 0.44 N ATOM 38 CA ILE A 3 7.023 -5.084 0.534 1.00 0.42 C ATOM 39 C ILE A 3 5.784 -5.908 0.601 1.00 0.40 C ATOM 40 O ILE A 3 5.468 -6.617 -0.353 1.00 0.50 O ATOM 41 CB ILE A 3 6.736 -3.613 0.474 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.880 -3.153 -0.719 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.010 -2.763 0.624 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.087 -1.876 -0.445 1.00 0.72 C ATOM 0 H ILE A 3 7.434 -5.964 -1.294 1.00 0.44 H new ATOM 0 HA ILE A 3 7.604 -5.077 1.456 1.00 0.42 H new ATOM 0 HB ILE A 3 6.104 -3.436 1.345 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.529 -2.991 -1.580 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.187 -3.951 -0.988 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.750 -1.706 0.574 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.479 -2.976 1.585 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.705 -3.004 -0.180 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.507 -1.611 -1.329 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.413 -2.040 0.396 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.775 -1.065 -0.206 1.00 0.72 H new ATOM 56 N PHE A 4 5.133 -5.925 1.777 1.00 0.37 N ATOM 57 CA PHE A 4 3.978 -6.737 2.004 1.00 0.38 C ATOM 58 C PHE A 4 2.764 -5.940 2.336 1.00 0.39 C ATOM 59 O PHE A 4 2.605 -5.303 3.377 1.00 0.60 O ATOM 60 CB PHE A 4 4.098 -7.735 3.169 1.00 0.45 C ATOM 61 CG PHE A 4 5.142 -8.795 3.102 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.933 -9.906 2.320 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.201 -8.884 3.976 1.00 1.16 C ATOM 64 CE1 PHE A 4 5.803 -10.968 2.244 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.051 -9.965 3.990 1.00 1.23 C ATOM 66 CZ PHE A 4 6.866 -11.009 3.114 1.00 0.85 C ATOM 0 H PHE A 4 5.412 -5.366 2.583 1.00 0.37 H new ATOM 0 HA PHE A 4 3.896 -7.263 1.053 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.269 -7.160 4.079 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.133 -8.229 3.281 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.030 -9.947 1.729 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.370 -8.078 4.674 1.00 1.16 H new ATOM 0 HE1 PHE A 4 5.654 -11.752 1.517 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.870 -9.994 4.694 1.00 1.23 H new ATOM 0 HZ PHE A 4 7.546 -11.848 3.110 1.00 0.85 H new ATOM 76 N VAL A 5 1.718 -6.040 1.496 1.00 0.35 N ATOM 77 CA VAL A 5 0.465 -5.363 1.630 1.00 0.35 C ATOM 78 C VAL A 5 -0.541 -6.330 2.151 1.00 0.35 C ATOM 79 O VAL A 5 -0.990 -7.205 1.413 1.00 0.46 O ATOM 80 CB VAL A 5 -0.040 -4.681 0.393 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.346 -3.938 0.721 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.014 -3.661 -0.069 1.00 0.56 C ATOM 0 H VAL A 5 1.751 -6.634 0.668 1.00 0.35 H new ATOM 0 HA VAL A 5 0.632 -4.543 2.328 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.224 -5.416 -0.391 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.717 -3.441 -0.175 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.091 -4.651 1.075 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.157 -3.195 1.496 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.662 -3.156 -0.968 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.179 -2.926 0.719 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.949 -4.177 -0.285 1.00 0.56 H new ATOM 92 N LYS A 6 -1.082 -6.229 3.379 1.00 0.36 N ATOM 93 CA LYS A 6 -2.083 -7.117 3.882 1.00 0.39 C ATOM 94 C LYS A 6 -3.450 -6.553 3.698 1.00 0.46 C ATOM 95 O LYS A 6 -3.696 -5.397 4.038 1.00 0.53 O ATOM 96 CB LYS A 6 -1.936 -7.376 5.391 1.00 0.54 C ATOM 97 CG LYS A 6 -0.635 -8.049 5.831 1.00 1.22 C ATOM 98 CD LYS A 6 -0.555 -8.415 7.315 1.00 1.37 C ATOM 99 CE LYS A 6 0.745 -9.135 7.683 1.00 1.93 C ATOM 100 NZ LYS A 6 0.480 -9.927 8.905 1.00 2.09 N ATOM 0 H LYS A 6 -0.813 -5.504 4.044 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.948 -8.041 3.320 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.024 -6.423 5.913 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.771 -7.996 5.716 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.498 -8.956 5.242 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.196 -7.386 5.592 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.643 -7.508 7.913 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.402 -9.051 7.573 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.069 -9.783 6.868 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.546 -8.417 7.857 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.345 -10.432 9.186 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.185 -9.291 9.674 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.277 -10.615 8.716 1.00 2.09 H new ATOM 114 N THR A 7 -4.433 -7.376 3.290 1.00 0.58 N ATOM 115 CA THR A 7 -5.782 -6.937 3.114 1.00 0.78 C ATOM 116 C THR A 7 -6.593 -7.065 4.358 1.00 0.94 C ATOM 117 O THR A 7 -6.094 -7.300 5.457 1.00 0.99 O ATOM 118 CB THR A 7 -6.451 -7.588 1.939 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.743 -8.966 2.118 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.578 -7.480 0.678 1.00 0.92 C ATOM 0 H THR A 7 -4.288 -8.363 3.079 1.00 0.58 H new ATOM 0 HA THR A 7 -5.722 -5.872 2.889 1.00 0.78 H new ATOM 0 HB THR A 7 -7.391 -7.046 1.836 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.637 -9.159 1.766 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.086 -7.960 -0.159 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.406 -6.430 0.444 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.622 -7.974 0.854 1.00 0.92 H new ATOM 128 N LEU A 8 -7.899 -6.749 4.284 1.00 1.17 N ATOM 129 CA LEU A 8 -8.806 -7.025 5.354 1.00 1.39 C ATOM 130 C LEU A 8 -9.333 -8.414 5.240 1.00 1.44 C ATOM 131 O LEU A 8 -9.607 -9.064 6.246 1.00 1.60 O ATOM 132 CB LEU A 8 -9.964 -6.015 5.268 1.00 1.66 C ATOM 133 CG LEU A 8 -11.092 -6.083 6.310 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.620 -5.768 7.739 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.314 -5.232 5.923 1.00 2.43 C ATOM 0 H LEU A 8 -8.329 -6.299 3.476 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.293 -6.935 6.312 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.533 -5.015 5.315 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.419 -6.120 4.283 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.412 -7.125 6.310 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.465 -5.834 8.424 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.855 -6.486 8.036 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.204 -4.761 7.771 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.078 -5.319 6.696 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.014 -4.189 5.825 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.717 -5.584 4.974 1.00 2.43 H new ATOM 147 N THR A 9 -9.520 -8.873 3.989 1.00 1.41 N ATOM 148 CA THR A 9 -10.032 -10.145 3.582 1.00 1.51 C ATOM 149 C THR A 9 -9.262 -11.295 4.134 1.00 1.37 C ATOM 150 O THR A 9 -9.762 -12.253 4.723 1.00 1.62 O ATOM 151 CB THR A 9 -10.263 -10.214 2.101 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.089 -10.052 1.319 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.283 -9.118 1.748 1.00 2.08 C ATOM 0 H THR A 9 -9.288 -8.292 3.183 1.00 1.41 H new ATOM 0 HA THR A 9 -11.018 -10.243 4.036 1.00 1.51 H new ATOM 0 HB THR A 9 -10.627 -11.214 1.864 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.319 -10.110 0.368 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.479 -9.135 0.676 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.212 -9.297 2.289 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.882 -8.144 2.028 1.00 2.08 H new ATOM 161 N GLY A 10 -7.947 -11.344 3.860 1.00 1.18 N ATOM 162 CA GLY A 10 -7.042 -12.281 4.451 1.00 1.22 C ATOM 163 C GLY A 10 -5.873 -12.627 3.594 1.00 0.99 C ATOM 164 O GLY A 10 -5.301 -13.696 3.802 1.00 1.31 O ATOM 0 H GLY A 10 -7.496 -10.708 3.202 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.678 -11.872 5.394 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.587 -13.195 4.689 1.00 1.22 H new ATOM 168 N LYS A 11 -5.460 -11.768 2.645 1.00 0.73 N ATOM 169 CA LYS A 11 -4.392 -11.944 1.710 1.00 0.60 C ATOM 170 C LYS A 11 -3.295 -11.051 2.178 1.00 0.51 C ATOM 171 O LYS A 11 -3.523 -9.932 2.635 1.00 0.63 O ATOM 172 CB LYS A 11 -4.902 -11.609 0.299 1.00 0.75 C ATOM 173 CG LYS A 11 -6.084 -12.463 -0.168 1.00 0.87 C ATOM 174 CD LYS A 11 -6.171 -12.817 -1.653 1.00 1.04 C ATOM 175 CE LYS A 11 -6.225 -11.552 -2.512 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.434 -11.940 -3.925 1.00 1.40 N ATOM 0 H LYS A 11 -5.919 -10.865 2.523 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.020 -12.967 1.656 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.195 -10.560 0.272 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.081 -11.729 -0.408 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.067 -13.395 0.397 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -7.001 -11.942 0.105 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.309 -13.419 -1.939 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -7.058 -13.424 -1.835 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -7.033 -10.903 -2.176 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.299 -10.987 -2.409 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.773 -11.118 -4.464 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.536 -12.274 -4.330 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.140 -12.702 -3.975 1.00 1.40 H new ATOM 190 N THR A 12 -2.028 -11.456 1.983 1.00 0.49 N ATOM 191 CA THR A 12 -0.804 -10.740 2.171 1.00 0.48 C ATOM 192 C THR A 12 -0.232 -10.685 0.797 1.00 0.52 C ATOM 193 O THR A 12 0.284 -11.672 0.273 1.00 0.72 O ATOM 194 CB THR A 12 0.177 -11.301 3.158 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.368 -11.457 4.460 1.00 0.77 O ATOM 196 CG2 THR A 12 1.262 -10.229 3.356 1.00 0.78 C ATOM 0 H THR A 12 -1.843 -12.403 1.653 1.00 0.49 H new ATOM 0 HA THR A 12 -1.014 -9.773 2.628 1.00 0.48 H new ATOM 0 HB THR A 12 0.510 -12.264 2.770 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.315 -11.827 5.058 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.004 -10.589 4.069 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.746 -10.021 2.402 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.806 -9.316 3.738 1.00 0.78 H new ATOM 204 N ILE A 13 -0.469 -9.543 0.128 1.00 0.48 N ATOM 205 CA ILE A 13 -0.026 -9.407 -1.225 1.00 0.55 C ATOM 206 C ILE A 13 1.423 -9.066 -1.162 1.00 0.51 C ATOM 207 O ILE A 13 1.824 -8.015 -0.665 1.00 0.56 O ATOM 208 CB ILE A 13 -0.877 -8.401 -1.940 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.379 -8.335 -1.616 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.546 -8.673 -3.418 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.208 -7.482 -2.576 1.00 1.55 C ATOM 0 H ILE A 13 -0.955 -8.732 0.511 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.134 -10.322 -1.807 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.635 -7.395 -1.599 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.780 -9.348 -1.615 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.501 -7.942 -0.606 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.115 -7.991 -4.050 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.520 -8.520 -3.586 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.809 -9.701 -3.666 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.253 -7.497 -2.266 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.840 -6.456 -2.562 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.123 -7.884 -3.586 1.00 1.55 H new ATOM 223 N THR A 14 2.375 -9.871 -1.665 1.00 0.55 N ATOM 224 CA THR A 14 3.777 -9.599 -1.743 1.00 0.54 C ATOM 225 C THR A 14 4.078 -8.886 -3.016 1.00 0.55 C ATOM 226 O THR A 14 3.943 -9.597 -4.010 1.00 0.72 O ATOM 227 CB THR A 14 4.734 -10.752 -1.659 1.00 0.67 C ATOM 228 OG1 THR A 14 4.318 -11.772 -0.762 1.00 1.08 O ATOM 229 CG2 THR A 14 6.143 -10.280 -1.260 1.00 1.03 C ATOM 0 H THR A 14 2.144 -10.787 -2.048 1.00 0.55 H new ATOM 0 HA THR A 14 3.948 -9.015 -0.838 1.00 0.54 H new ATOM 0 HB THR A 14 4.752 -11.181 -2.661 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.366 -11.438 0.158 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.813 -11.138 -1.208 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.514 -9.574 -2.003 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.101 -9.792 -0.286 1.00 1.03 H new ATOM 237 N LEU A 15 4.532 -7.621 -2.955 1.00 0.50 N ATOM 238 CA LEU A 15 4.852 -6.974 -4.190 1.00 0.55 C ATOM 239 C LEU A 15 6.320 -6.727 -4.237 1.00 0.52 C ATOM 240 O LEU A 15 6.981 -6.739 -3.199 1.00 0.58 O ATOM 241 CB LEU A 15 4.216 -5.582 -4.350 1.00 0.69 C ATOM 242 CG LEU A 15 2.714 -5.444 -4.048 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.484 -3.923 -3.998 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.878 -6.039 -5.194 1.00 1.55 C ATOM 0 H LEU A 15 4.672 -7.073 -2.106 1.00 0.50 H new ATOM 0 HA LEU A 15 4.478 -7.637 -4.970 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.754 -4.891 -3.701 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.384 -5.252 -5.375 1.00 0.69 H new ATOM 0 HG LEU A 15 2.428 -5.960 -3.131 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.434 -3.721 -3.787 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.103 -3.487 -3.214 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.752 -3.483 -4.958 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.818 -5.933 -4.964 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.103 -5.511 -6.121 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.120 -7.095 -5.311 1.00 1.55 H new ATOM 256 N GLU A 16 6.893 -6.484 -5.430 1.00 0.59 N ATOM 257 CA GLU A 16 8.253 -6.042 -5.442 1.00 0.63 C ATOM 258 C GLU A 16 8.297 -4.684 -6.053 1.00 0.65 C ATOM 259 O GLU A 16 7.994 -4.394 -7.209 1.00 0.81 O ATOM 260 CB GLU A 16 9.086 -7.048 -6.255 1.00 0.76 C ATOM 261 CG GLU A 16 9.270 -8.353 -5.477 1.00 1.41 C ATOM 262 CD GLU A 16 10.298 -9.311 -6.062 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.474 -8.859 -6.098 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.028 -10.484 -6.431 1.00 1.92 O ATOM 0 H GLU A 16 6.445 -6.586 -6.340 1.00 0.59 H new ATOM 0 HA GLU A 16 8.665 -5.986 -4.434 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.593 -7.252 -7.205 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.060 -6.617 -6.488 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.561 -8.111 -4.455 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.309 -8.864 -5.422 1.00 1.41 H new ATOM 271 N VAL A 17 8.638 -3.687 -5.216 1.00 0.61 N ATOM 272 CA VAL A 17 8.829 -2.304 -5.524 1.00 0.63 C ATOM 273 C VAL A 17 10.262 -1.895 -5.497 1.00 0.65 C ATOM 274 O VAL A 17 11.131 -2.530 -4.901 1.00 0.76 O ATOM 275 CB VAL A 17 7.977 -1.459 -4.623 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.455 -1.669 -4.716 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.538 -1.506 -3.192 1.00 0.92 C ATOM 0 H VAL A 17 8.795 -3.871 -4.225 1.00 0.61 H new ATOM 0 HA VAL A 17 8.508 -2.144 -6.553 1.00 0.63 H new ATOM 0 HB VAL A 17 8.056 -0.439 -5.000 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.952 -1.001 -4.017 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.119 -1.452 -5.730 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.214 -2.703 -4.467 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.919 -0.892 -2.538 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.535 -2.535 -2.834 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.559 -1.124 -3.189 1.00 0.92 H new ATOM 287 N GLU A 18 10.609 -0.770 -6.147 1.00 0.68 N ATOM 288 CA GLU A 18 11.835 -0.049 -5.995 1.00 0.74 C ATOM 289 C GLU A 18 11.549 1.180 -5.202 1.00 0.71 C ATOM 290 O GLU A 18 10.492 1.776 -5.401 1.00 0.74 O ATOM 291 CB GLU A 18 12.453 0.363 -7.342 1.00 0.88 C ATOM 292 CG GLU A 18 12.845 -0.758 -8.306 1.00 1.16 C ATOM 293 CD GLU A 18 13.926 -1.649 -7.711 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.058 -1.131 -7.516 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.754 -2.864 -7.425 1.00 2.35 O ATOM 0 H GLU A 18 9.987 -0.334 -6.828 1.00 0.68 H new ATOM 0 HA GLU A 18 12.552 -0.701 -5.496 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.744 1.015 -7.853 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.343 0.958 -7.137 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.967 -1.358 -8.545 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.201 -0.327 -9.242 1.00 1.16 H new ATOM 302 N PRO A 19 12.359 1.689 -4.323 1.00 0.74 N ATOM 303 CA PRO A 19 12.061 2.686 -3.336 1.00 0.74 C ATOM 304 C PRO A 19 11.959 4.088 -3.831 1.00 0.70 C ATOM 305 O PRO A 19 11.415 4.920 -3.106 1.00 0.74 O ATOM 306 CB PRO A 19 13.111 2.628 -2.229 1.00 0.86 C ATOM 307 CG PRO A 19 14.168 1.636 -2.740 1.00 0.95 C ATOM 308 CD PRO A 19 13.638 1.048 -4.058 1.00 0.82 C ATOM 0 HA PRO A 19 11.062 2.435 -2.979 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.547 3.610 -2.046 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.675 2.292 -1.288 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.122 2.138 -2.899 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.341 0.847 -2.008 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.338 1.233 -4.872 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.519 -0.033 -3.979 1.00 0.82 H new ATOM 316 N SER A 20 12.394 4.432 -5.055 1.00 0.70 N ATOM 317 CA SER A 20 12.253 5.752 -5.586 1.00 0.74 C ATOM 318 C SER A 20 10.912 5.883 -6.222 1.00 0.71 C ATOM 319 O SER A 20 10.554 7.010 -6.561 1.00 0.80 O ATOM 320 CB SER A 20 13.308 6.157 -6.629 1.00 0.89 C ATOM 321 OG SER A 20 14.613 6.212 -6.071 1.00 1.45 O ATOM 0 H SER A 20 12.854 3.779 -5.690 1.00 0.70 H new ATOM 0 HA SER A 20 12.387 6.417 -4.733 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.296 5.444 -7.453 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.051 7.131 -7.046 1.00 0.89 H new ATOM 0 HG SER A 20 15.255 6.471 -6.765 1.00 1.45 H new ATOM 327 N ASP A 21 10.115 4.800 -6.239 1.00 0.70 N ATOM 328 CA ASP A 21 8.745 4.922 -6.633 1.00 0.73 C ATOM 329 C ASP A 21 7.753 5.555 -5.720 1.00 0.64 C ATOM 330 O ASP A 21 7.907 5.687 -4.507 1.00 0.66 O ATOM 331 CB ASP A 21 8.222 3.595 -7.208 1.00 0.87 C ATOM 332 CG ASP A 21 8.898 3.489 -8.568 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.772 4.501 -9.308 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.503 2.451 -8.947 1.00 1.50 O ATOM 0 H ASP A 21 10.410 3.857 -5.986 1.00 0.70 H new ATOM 0 HA ASP A 21 8.817 5.697 -7.396 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.482 2.753 -6.567 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.136 3.601 -7.302 1.00 0.87 H new ATOM 339 N THR A 22 6.629 6.007 -6.306 1.00 0.63 N ATOM 340 CA THR A 22 5.570 6.589 -5.542 1.00 0.58 C ATOM 341 C THR A 22 4.674 5.612 -4.862 1.00 0.53 C ATOM 342 O THR A 22 4.728 4.415 -5.143 1.00 0.58 O ATOM 343 CB THR A 22 4.698 7.491 -6.364 1.00 0.63 C ATOM 344 OG1 THR A 22 3.854 6.896 -7.340 1.00 0.70 O ATOM 345 CG2 THR A 22 5.485 8.696 -6.907 1.00 0.75 C ATOM 0 H THR A 22 6.454 5.969 -7.310 1.00 0.63 H new ATOM 0 HA THR A 22 6.109 7.151 -4.779 1.00 0.58 H new ATOM 0 HB THR A 22 3.963 7.840 -5.639 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.342 7.594 -7.799 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.822 9.328 -7.498 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.888 9.272 -6.074 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.304 8.343 -7.534 1.00 0.75 H new ATOM 353 N ILE A 23 3.889 6.080 -3.876 1.00 0.51 N ATOM 354 CA ILE A 23 2.978 5.176 -3.247 1.00 0.48 C ATOM 355 C ILE A 23 1.830 4.851 -4.140 1.00 0.48 C ATOM 356 O ILE A 23 1.202 3.800 -4.023 1.00 0.51 O ATOM 357 CB ILE A 23 2.583 5.790 -1.937 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.672 5.966 -0.866 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.427 4.963 -1.347 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.597 4.775 -0.618 1.00 0.73 C ATOM 0 H ILE A 23 3.881 7.038 -3.526 1.00 0.51 H new ATOM 0 HA ILE A 23 3.443 4.210 -3.052 1.00 0.48 H new ATOM 0 HB ILE A 23 2.312 6.815 -2.191 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.287 6.821 -1.145 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.184 6.218 0.075 1.00 0.60 H new ATOM 0 HG21 ILE A 23 1.123 5.392 -0.392 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.582 4.975 -2.036 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.756 3.935 -1.194 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.318 5.030 0.159 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.007 3.916 -0.298 1.00 0.73 H new ATOM 0 HD13 ILE A 23 5.127 4.528 -1.538 1.00 0.73 H new ATOM 372 N GLU A 24 1.466 5.719 -5.102 1.00 0.50 N ATOM 373 CA GLU A 24 0.635 5.306 -6.190 1.00 0.53 C ATOM 374 C GLU A 24 1.061 4.083 -6.927 1.00 0.50 C ATOM 375 O GLU A 24 0.226 3.302 -7.381 1.00 0.55 O ATOM 376 CB GLU A 24 0.430 6.508 -7.126 1.00 0.64 C ATOM 377 CG GLU A 24 -0.673 6.425 -8.184 1.00 0.95 C ATOM 378 CD GLU A 24 -1.059 7.816 -8.667 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.209 8.514 -9.282 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.185 8.283 -8.350 1.00 1.62 O ATOM 0 H GLU A 24 1.745 6.700 -5.127 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.309 4.984 -5.749 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.230 7.382 -6.506 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.372 6.692 -7.642 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.332 5.824 -9.026 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.547 5.923 -7.768 1.00 0.95 H new ATOM 387 N ASN A 25 2.365 3.830 -7.138 1.00 0.51 N ATOM 388 CA ASN A 25 2.960 2.744 -7.852 1.00 0.52 C ATOM 389 C ASN A 25 2.748 1.483 -7.087 1.00 0.47 C ATOM 390 O ASN A 25 2.591 0.423 -7.691 1.00 0.53 O ATOM 391 CB ASN A 25 4.443 2.943 -8.208 1.00 0.64 C ATOM 392 CG ASN A 25 4.887 2.217 -9.470 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.594 1.215 -9.379 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.478 2.747 -10.654 1.00 1.57 N ATOM 0 H ASN A 25 3.078 4.458 -6.766 1.00 0.51 H new ATOM 0 HA ASN A 25 2.458 2.691 -8.818 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.636 4.009 -8.329 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.054 2.602 -7.372 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.758 2.310 -11.532 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.891 3.581 -10.664 1.00 1.57 H new ATOM 401 N VAL A 26 2.556 1.576 -5.759 1.00 0.45 N ATOM 402 CA VAL A 26 2.253 0.466 -4.909 1.00 0.44 C ATOM 403 C VAL A 26 0.861 0.083 -5.276 1.00 0.40 C ATOM 404 O VAL A 26 0.657 -1.074 -5.644 1.00 0.44 O ATOM 405 CB VAL A 26 2.394 0.871 -3.472 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.891 -0.298 -2.610 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.829 1.306 -3.129 1.00 0.62 C ATOM 0 H VAL A 26 2.614 2.462 -5.256 1.00 0.45 H new ATOM 0 HA VAL A 26 2.928 -0.381 -5.035 1.00 0.44 H new ATOM 0 HB VAL A 26 1.790 1.754 -3.266 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.979 -0.037 -1.555 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.847 -0.502 -2.847 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.490 -1.185 -2.815 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.882 1.590 -2.078 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.514 0.479 -3.316 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.109 2.157 -3.749 1.00 0.62 H new ATOM 417 N LYS A 27 -0.090 1.022 -5.128 1.00 0.40 N ATOM 418 CA LYS A 27 -1.463 0.958 -5.523 1.00 0.41 C ATOM 419 C LYS A 27 -1.656 0.516 -6.933 1.00 0.38 C ATOM 420 O LYS A 27 -2.537 -0.319 -7.127 1.00 0.42 O ATOM 421 CB LYS A 27 -2.230 2.228 -5.117 1.00 0.51 C ATOM 422 CG LYS A 27 -2.036 2.625 -3.652 1.00 0.76 C ATOM 423 CD LYS A 27 -2.848 3.867 -3.277 1.00 0.82 C ATOM 424 CE LYS A 27 -2.451 4.509 -1.947 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.430 5.595 -1.720 1.00 1.11 N ATOM 0 H LYS A 27 0.127 1.916 -4.687 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.928 0.153 -4.954 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.910 3.053 -5.753 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.293 2.075 -5.305 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.329 1.794 -3.010 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.979 2.814 -3.466 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.741 4.608 -4.069 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.903 3.596 -3.234 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.479 3.781 -1.137 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.435 4.900 -1.989 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.102 6.201 -0.941 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.524 6.164 -2.585 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.353 5.184 -1.474 1.00 1.11 H new ATOM 439 N ALA A 28 -0.848 0.896 -7.939 1.00 0.39 N ATOM 440 CA ALA A 28 -1.018 0.452 -9.287 1.00 0.39 C ATOM 441 C ALA A 28 -0.774 -1.002 -9.504 1.00 0.36 C ATOM 442 O ALA A 28 -1.450 -1.668 -10.286 1.00 0.42 O ATOM 443 CB ALA A 28 -0.018 1.265 -10.127 1.00 0.51 C ATOM 0 H ALA A 28 -0.057 1.527 -7.812 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.060 0.605 -9.568 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.098 0.971 -11.174 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.241 2.328 -10.030 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.995 1.073 -9.773 1.00 0.51 H new ATOM 449 N LYS A 29 0.134 -1.589 -8.704 1.00 0.39 N ATOM 450 CA LYS A 29 0.418 -2.991 -8.709 1.00 0.43 C ATOM 451 C LYS A 29 -0.685 -3.798 -8.114 1.00 0.44 C ATOM 452 O LYS A 29 -0.887 -4.950 -8.496 1.00 0.54 O ATOM 453 CB LYS A 29 1.706 -3.272 -7.917 1.00 0.54 C ATOM 454 CG LYS A 29 3.000 -2.836 -8.608 1.00 0.65 C ATOM 455 CD LYS A 29 4.295 -2.875 -7.796 1.00 1.08 C ATOM 456 CE LYS A 29 5.509 -2.130 -8.356 1.00 1.24 C ATOM 457 NZ LYS A 29 6.047 -2.692 -9.615 1.00 1.44 N ATOM 0 H LYS A 29 0.692 -1.067 -8.028 1.00 0.39 H new ATOM 0 HA LYS A 29 0.533 -3.282 -9.753 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.639 -2.767 -6.953 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.763 -4.341 -7.714 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.138 -3.466 -9.487 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.860 -1.816 -8.965 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.082 -2.472 -6.806 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.575 -3.920 -7.662 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.234 -1.089 -8.526 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.299 -2.132 -7.605 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.865 -2.130 -9.924 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.343 -3.676 -9.457 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.311 -2.665 -10.349 1.00 1.44 H new ATOM 471 N ILE A 30 -1.456 -3.239 -7.165 1.00 0.41 N ATOM 472 CA ILE A 30 -2.660 -3.749 -6.584 1.00 0.44 C ATOM 473 C ILE A 30 -3.808 -3.663 -7.531 1.00 0.45 C ATOM 474 O ILE A 30 -4.709 -4.491 -7.649 1.00 0.56 O ATOM 475 CB ILE A 30 -2.912 -3.046 -5.284 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.726 -3.254 -4.326 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.144 -3.637 -4.576 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.858 -2.383 -3.077 1.00 1.32 C ATOM 0 H ILE A 30 -1.208 -2.335 -6.764 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.544 -4.812 -6.374 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.060 -1.991 -5.514 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.671 -4.303 -4.036 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.795 -3.016 -4.840 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.309 -3.113 -3.635 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.020 -3.522 -5.214 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.976 -4.696 -4.377 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.004 -2.555 -2.422 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.888 -1.333 -3.367 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.777 -2.640 -2.550 1.00 1.32 H new ATOM 490 N GLN A 31 -3.819 -2.620 -8.380 1.00 0.41 N ATOM 491 CA GLN A 31 -4.810 -2.419 -9.391 1.00 0.48 C ATOM 492 C GLN A 31 -4.513 -3.416 -10.459 1.00 0.52 C ATOM 493 O GLN A 31 -5.425 -4.057 -10.979 1.00 0.66 O ATOM 494 CB GLN A 31 -4.803 -0.942 -9.819 1.00 0.52 C ATOM 495 CG GLN A 31 -5.966 -0.637 -10.765 1.00 0.70 C ATOM 496 CD GLN A 31 -5.997 0.810 -11.233 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.104 1.347 -11.206 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.853 1.465 -11.570 1.00 1.43 N ATOM 0 H GLN A 31 -3.109 -1.888 -8.361 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.835 -2.592 -9.062 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.870 -0.304 -8.937 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.859 -0.707 -10.311 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.900 -1.291 -11.634 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.905 -0.869 -10.262 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.963 0.967 -11.575 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.886 2.454 -11.818 1.00 1.43 H new ATOM 507 N ASP A 32 -3.250 -3.659 -10.850 1.00 0.50 N ATOM 508 CA ASP A 32 -3.014 -4.706 -11.794 1.00 0.60 C ATOM 509 C ASP A 32 -3.405 -6.077 -11.358 1.00 0.65 C ATOM 510 O ASP A 32 -3.839 -6.937 -12.122 1.00 0.81 O ATOM 511 CB ASP A 32 -1.548 -4.818 -12.246 1.00 0.67 C ATOM 512 CG ASP A 32 -1.204 -3.647 -13.155 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.018 -3.450 -14.096 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.208 -2.923 -12.886 1.00 1.51 O ATOM 0 H ASP A 32 -2.423 -3.155 -10.529 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.664 -4.385 -12.608 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.889 -4.824 -11.378 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.390 -5.759 -12.773 1.00 0.67 H new ATOM 519 N LYS A 33 -3.233 -6.432 -10.072 1.00 0.62 N ATOM 520 CA LYS A 33 -3.467 -7.735 -9.533 1.00 0.73 C ATOM 521 C LYS A 33 -4.893 -7.970 -9.171 1.00 0.69 C ATOM 522 O LYS A 33 -5.478 -8.991 -9.530 1.00 0.83 O ATOM 523 CB LYS A 33 -2.472 -7.999 -8.391 1.00 0.85 C ATOM 524 CG LYS A 33 -2.400 -9.478 -8.008 1.00 1.31 C ATOM 525 CD LYS A 33 -1.465 -9.769 -6.832 1.00 1.71 C ATOM 526 CE LYS A 33 -1.600 -11.165 -6.220 1.00 2.26 C ATOM 527 NZ LYS A 33 -1.230 -12.297 -7.100 1.00 2.62 N ATOM 0 H LYS A 33 -2.911 -5.769 -9.367 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.281 -8.477 -10.309 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.482 -7.656 -8.690 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.762 -7.414 -7.518 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -3.402 -9.828 -7.758 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.069 -10.052 -8.874 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.436 -9.634 -7.165 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.647 -9.029 -6.052 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.980 -11.209 -5.324 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -2.633 -11.302 -5.900 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 -1.359 -13.192 -6.587 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -1.836 -12.292 -7.945 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.235 -12.203 -7.387 1.00 2.62 H new ATOM 541 N GLU A 34 -5.538 -7.081 -8.395 1.00 0.63 N ATOM 542 CA GLU A 34 -6.826 -7.249 -7.796 1.00 0.67 C ATOM 543 C GLU A 34 -7.922 -6.489 -8.460 1.00 0.69 C ATOM 544 O GLU A 34 -9.093 -6.855 -8.366 1.00 0.95 O ATOM 545 CB GLU A 34 -6.828 -6.757 -6.339 1.00 0.73 C ATOM 546 CG GLU A 34 -5.819 -7.498 -5.459 1.00 0.83 C ATOM 547 CD GLU A 34 -6.215 -8.956 -5.275 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.215 -9.353 -4.619 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.465 -9.887 -5.673 1.00 1.37 O ATOM 0 H GLU A 34 -5.126 -6.175 -8.170 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.011 -8.319 -7.890 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.604 -5.690 -6.321 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.827 -6.880 -5.921 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.829 -7.442 -5.911 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.754 -7.011 -4.486 1.00 0.83 H new ATOM 556 N GLY A 35 -7.658 -5.265 -8.952 1.00 0.63 N ATOM 557 CA GLY A 35 -8.731 -4.647 -9.665 1.00 0.68 C ATOM 558 C GLY A 35 -9.368 -3.592 -8.826 1.00 0.76 C ATOM 559 O GLY A 35 -10.465 -3.125 -9.127 1.00 1.12 O ATOM 0 H GLY A 35 -6.786 -4.742 -8.870 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.357 -4.209 -10.591 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.472 -5.397 -9.943 1.00 0.68 H new ATOM 563 N ILE A 36 -8.687 -3.141 -7.758 1.00 0.70 N ATOM 564 CA ILE A 36 -9.283 -2.207 -6.853 1.00 0.76 C ATOM 565 C ILE A 36 -8.776 -0.902 -7.359 1.00 0.71 C ATOM 566 O ILE A 36 -7.575 -0.835 -7.617 1.00 0.73 O ATOM 567 CB ILE A 36 -8.807 -2.515 -5.465 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.154 -3.941 -5.005 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.435 -1.460 -4.538 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.226 -4.340 -3.858 1.00 1.16 C ATOM 0 H ILE A 36 -7.734 -3.419 -7.522 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.372 -2.226 -6.806 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.718 -2.474 -5.437 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.194 -3.988 -4.681 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.047 -4.640 -5.835 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.117 -1.642 -3.511 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.112 -0.466 -4.847 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.521 -1.523 -4.598 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.468 -5.350 -3.529 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.191 -4.308 -4.199 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.356 -3.647 -3.027 1.00 1.16 H new ATOM 582 N PRO A 37 -9.483 0.177 -7.531 1.00 0.75 N ATOM 583 CA PRO A 37 -8.921 1.439 -7.915 1.00 0.79 C ATOM 584 C PRO A 37 -8.037 2.069 -6.894 1.00 0.75 C ATOM 585 O PRO A 37 -8.288 1.818 -5.717 1.00 0.75 O ATOM 586 CB PRO A 37 -10.063 2.383 -8.283 1.00 0.95 C ATOM 587 CG PRO A 37 -11.248 1.413 -8.419 1.00 1.02 C ATOM 588 CD PRO A 37 -10.937 0.216 -7.507 1.00 0.85 C ATOM 0 HA PRO A 37 -8.267 1.247 -8.766 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.237 3.134 -7.512 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.866 2.919 -9.211 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.180 1.895 -8.123 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.370 1.092 -9.453 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.323 0.362 -6.498 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.375 -0.708 -7.885 1.00 0.85 H new ATOM 596 N PRO A 38 -7.113 2.945 -7.154 1.00 0.81 N ATOM 597 CA PRO A 38 -6.212 3.425 -6.147 1.00 0.85 C ATOM 598 C PRO A 38 -6.706 4.574 -5.336 1.00 0.89 C ATOM 599 O PRO A 38 -6.158 4.923 -4.291 1.00 0.99 O ATOM 600 CB PRO A 38 -4.922 3.749 -6.895 1.00 1.01 C ATOM 601 CG PRO A 38 -5.374 4.105 -8.320 1.00 1.25 C ATOM 602 CD PRO A 38 -6.471 3.037 -8.457 1.00 0.98 C ATOM 0 HA PRO A 38 -6.077 2.660 -5.382 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.392 4.580 -6.429 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.241 2.898 -6.897 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.755 5.123 -8.406 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.580 3.999 -9.059 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.191 3.315 -9.227 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.045 2.077 -8.750 1.00 0.98 H new ATOM 610 N ASP A 39 -7.774 5.246 -5.798 1.00 0.96 N ATOM 611 CA ASP A 39 -8.513 6.219 -5.054 1.00 1.11 C ATOM 612 C ASP A 39 -9.214 5.538 -3.929 1.00 1.00 C ATOM 613 O ASP A 39 -9.377 6.232 -2.927 1.00 1.14 O ATOM 614 CB ASP A 39 -9.422 6.987 -6.029 1.00 1.39 C ATOM 615 CG ASP A 39 -10.281 6.167 -6.981 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.113 5.319 -6.561 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.123 6.381 -8.213 1.00 2.25 O ATOM 0 H ASP A 39 -8.142 5.104 -6.739 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.874 6.968 -4.586 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.084 7.623 -5.442 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.793 7.647 -6.627 1.00 1.39 H new ATOM 622 N GLN A 40 -9.632 4.261 -3.986 1.00 0.87 N ATOM 623 CA GLN A 40 -10.362 3.617 -2.939 1.00 0.84 C ATOM 624 C GLN A 40 -9.487 3.084 -1.855 1.00 0.67 C ATOM 625 O GLN A 40 -9.833 2.972 -0.681 1.00 0.80 O ATOM 626 CB GLN A 40 -11.121 2.434 -3.563 1.00 0.95 C ATOM 627 CG GLN A 40 -12.205 1.783 -2.700 1.00 1.32 C ATOM 628 CD GLN A 40 -12.990 0.629 -3.306 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.175 -0.454 -2.753 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.570 0.945 -4.495 1.00 2.02 N ATOM 0 H GLN A 40 -9.456 3.656 -4.788 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.023 4.357 -2.489 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.583 2.776 -4.489 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.395 1.668 -3.833 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.735 1.425 -1.784 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.915 2.558 -2.412 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.393 1.854 -4.923 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.182 0.273 -4.958 1.00 2.02 H new ATOM 639 N GLN A 41 -8.207 2.918 -2.234 1.00 0.56 N ATOM 640 CA GLN A 41 -7.176 2.260 -1.495 1.00 0.51 C ATOM 641 C GLN A 41 -6.501 3.224 -0.580 1.00 0.49 C ATOM 642 O GLN A 41 -5.637 4.016 -0.953 1.00 0.65 O ATOM 643 CB GLN A 41 -6.075 1.649 -2.379 1.00 0.67 C ATOM 644 CG GLN A 41 -6.638 0.563 -3.297 1.00 0.69 C ATOM 645 CD GLN A 41 -5.487 -0.019 -4.104 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.344 -0.168 -3.678 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.764 -0.243 -5.417 1.00 0.61 N ATOM 0 H GLN A 41 -7.869 3.273 -3.128 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.681 1.458 -0.955 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.612 2.432 -2.980 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.293 1.226 -1.749 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.124 -0.217 -2.710 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.395 0.981 -3.961 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.714 -0.118 -5.766 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -5.022 -0.536 -6.052 1.00 0.61 H new ATOM 656 N ARG A 42 -6.770 3.085 0.729 1.00 0.47 N ATOM 657 CA ARG A 42 -6.093 3.793 1.771 1.00 0.55 C ATOM 658 C ARG A 42 -5.068 2.860 2.318 1.00 0.46 C ATOM 659 O ARG A 42 -5.471 1.786 2.764 1.00 0.52 O ATOM 660 CB ARG A 42 -7.036 4.176 2.924 1.00 0.73 C ATOM 661 CG ARG A 42 -8.052 5.273 2.602 1.00 1.04 C ATOM 662 CD ARG A 42 -8.620 5.910 3.872 1.00 1.28 C ATOM 663 NE ARG A 42 -9.673 6.816 3.331 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.278 7.864 3.963 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.068 8.240 5.259 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.246 8.558 3.297 1.00 2.78 N ATOM 0 H ARG A 42 -7.490 2.452 1.077 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.673 4.712 1.362 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.577 3.284 3.240 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.433 4.500 3.772 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.577 6.041 1.991 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.866 4.853 2.011 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.035 5.164 4.550 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.859 6.458 4.427 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.978 6.631 2.375 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.411 7.720 5.841 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.569 9.040 5.645 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.504 8.290 2.347 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.712 9.345 3.749 1.00 2.78 H new ATOM 680 N LEU A 43 -3.782 3.254 2.308 1.00 0.46 N ATOM 681 CA LEU A 43 -2.730 2.470 2.875 1.00 0.42 C ATOM 682 C LEU A 43 -2.301 3.038 4.184 1.00 0.43 C ATOM 683 O LEU A 43 -1.857 4.183 4.257 1.00 0.55 O ATOM 684 CB LEU A 43 -1.530 2.424 1.914 1.00 0.55 C ATOM 685 CG LEU A 43 -1.719 1.477 0.718 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.612 1.481 -0.351 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.773 0.037 1.256 1.00 1.12 C ATOM 0 H LEU A 43 -3.467 4.134 1.898 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.103 1.459 3.036 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.339 3.430 1.540 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.644 2.117 2.470 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.626 1.834 0.231 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.865 0.772 -1.139 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.522 2.480 -0.777 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.335 1.194 0.105 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.907 -0.657 0.426 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.842 -0.193 1.774 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.608 -0.061 1.949 1.00 1.12 H new ATOM 699 N ILE A 44 -2.259 2.243 5.269 1.00 0.42 N ATOM 700 CA ILE A 44 -1.855 2.716 6.556 1.00 0.46 C ATOM 701 C ILE A 44 -0.595 2.018 6.937 1.00 0.42 C ATOM 702 O ILE A 44 -0.550 0.821 7.216 1.00 0.53 O ATOM 703 CB ILE A 44 -2.940 2.511 7.571 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.370 2.857 7.121 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.407 3.323 8.765 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.484 2.610 8.136 1.00 1.27 C ATOM 0 H ILE A 44 -2.510 1.255 5.251 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.671 3.790 6.519 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.106 1.458 7.800 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.393 3.910 6.839 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.593 2.281 6.223 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.114 3.260 9.593 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.444 2.920 9.078 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.285 4.365 8.471 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.442 2.893 7.700 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.505 1.554 8.404 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.301 3.207 9.029 1.00 1.27 H new ATOM 718 N PHE A 45 0.462 2.843 7.047 1.00 0.42 N ATOM 719 CA PHE A 45 1.745 2.408 7.502 1.00 0.46 C ATOM 720 C PHE A 45 1.907 2.883 8.904 1.00 0.68 C ATOM 721 O PHE A 45 2.144 4.066 9.149 1.00 1.50 O ATOM 722 CB PHE A 45 2.761 3.063 6.551 1.00 0.56 C ATOM 723 CG PHE A 45 4.128 2.472 6.572 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.341 1.114 6.587 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.178 3.358 6.644 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.646 0.684 6.640 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.468 2.916 6.820 1.00 1.33 C ATOM 728 CZ PHE A 45 6.685 1.559 6.857 1.00 1.02 C ATOM 0 H PHE A 45 0.423 3.835 6.814 1.00 0.42 H new ATOM 0 HA PHE A 45 1.877 1.326 7.497 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.373 3.002 5.534 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.837 4.121 6.801 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.518 0.415 6.558 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.986 4.418 6.561 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.860 -0.366 6.508 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.286 3.613 6.926 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.676 1.178 7.057 1.00 1.02 H new ATOM 738 N ALA A 46 1.743 1.993 9.900 1.00 0.81 N ATOM 739 CA ALA A 46 1.828 2.268 11.300 1.00 0.96 C ATOM 740 C ALA A 46 0.794 3.265 11.696 1.00 0.97 C ATOM 741 O ALA A 46 -0.340 2.836 11.907 1.00 1.21 O ATOM 742 CB ALA A 46 3.250 2.632 11.760 1.00 1.20 C ATOM 0 H ALA A 46 1.536 1.012 9.711 1.00 0.81 H new ATOM 0 HA ALA A 46 1.607 1.345 11.836 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.246 2.829 12.832 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.925 1.803 11.546 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.588 3.522 11.229 1.00 1.20 H new ATOM 748 N GLY A 47 1.066 4.580 11.749 1.00 0.99 N ATOM 749 CA GLY A 47 0.204 5.647 12.155 1.00 1.10 C ATOM 750 C GLY A 47 -0.147 6.603 11.067 1.00 1.03 C ATOM 751 O GLY A 47 -1.177 7.274 11.111 1.00 1.30 O ATOM 0 H GLY A 47 1.985 4.930 11.479 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.715 5.222 12.559 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.683 6.197 12.965 1.00 1.10 H new ATOM 755 N LYS A 48 0.638 6.630 9.975 1.00 0.98 N ATOM 756 CA LYS A 48 0.409 7.583 8.935 1.00 1.05 C ATOM 757 C LYS A 48 -0.360 6.848 7.890 1.00 0.84 C ATOM 758 O LYS A 48 -0.151 5.694 7.517 1.00 0.81 O ATOM 759 CB LYS A 48 1.724 8.036 8.278 1.00 1.42 C ATOM 760 CG LYS A 48 2.333 9.075 9.221 1.00 1.61 C ATOM 761 CD LYS A 48 3.740 9.407 8.719 1.00 1.87 C ATOM 762 CE LYS A 48 4.797 9.844 9.736 1.00 2.22 C ATOM 763 NZ LYS A 48 6.150 10.002 9.159 1.00 2.55 N ATOM 0 H LYS A 48 1.423 5.999 9.813 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.097 8.459 9.340 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.400 7.193 8.138 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.540 8.464 7.293 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.716 9.973 9.247 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.374 8.687 10.239 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.123 8.528 8.201 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.648 10.199 7.976 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.490 10.790 10.182 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.839 9.110 10.541 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.813 10.299 9.904 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.464 9.096 8.757 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.126 10.723 8.410 1.00 2.55 H new ATOM 777 N GLN A 49 -1.385 7.535 7.356 1.00 0.84 N ATOM 778 CA GLN A 49 -2.188 7.124 6.248 1.00 0.80 C ATOM 779 C GLN A 49 -1.582 7.716 5.022 1.00 0.72 C ATOM 780 O GLN A 49 -1.510 8.940 4.936 1.00 0.83 O ATOM 781 CB GLN A 49 -3.654 7.540 6.458 1.00 1.03 C ATOM 782 CG GLN A 49 -4.600 6.676 5.621 1.00 1.67 C ATOM 783 CD GLN A 49 -4.944 7.323 4.287 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.836 6.713 3.225 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.429 8.592 4.271 1.00 2.48 N ATOM 0 H GLN A 49 -1.672 8.441 7.726 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.206 6.039 6.147 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.913 7.450 7.513 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.780 8.588 6.187 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.139 5.704 5.443 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.517 6.496 6.182 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.525 9.112 5.143 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.697 9.024 3.387 1.00 2.48 H new ATOM 794 N LEU A 50 -1.031 6.945 4.067 1.00 0.69 N ATOM 795 CA LEU A 50 -0.142 7.416 3.051 1.00 0.66 C ATOM 796 C LEU A 50 -0.794 8.139 1.923 1.00 0.72 C ATOM 797 O LEU A 50 -1.896 7.786 1.505 1.00 0.90 O ATOM 798 CB LEU A 50 0.665 6.272 2.416 1.00 0.65 C ATOM 799 CG LEU A 50 1.363 5.354 3.433 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.041 4.198 2.677 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.276 6.083 4.435 1.00 0.74 C ATOM 0 H LEU A 50 -1.215 5.944 4.001 1.00 0.69 H new ATOM 0 HA LEU A 50 0.492 8.115 3.597 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.002 5.671 1.799 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.417 6.698 1.752 1.00 0.65 H new ATOM 0 HG LEU A 50 0.602 4.935 4.091 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.539 3.540 3.389 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.289 3.633 2.126 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.775 4.601 1.979 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.725 5.357 5.113 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.062 6.610 3.894 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.688 6.799 5.009 1.00 0.74 H new ATOM 813 N GLU A 51 -0.103 9.167 1.398 1.00 0.70 N ATOM 814 CA GLU A 51 -0.422 9.937 0.236 1.00 0.76 C ATOM 815 C GLU A 51 0.158 9.393 -1.024 1.00 0.77 C ATOM 816 O GLU A 51 1.220 8.773 -1.007 1.00 1.23 O ATOM 817 CB GLU A 51 -0.071 11.426 0.398 1.00 0.88 C ATOM 818 CG GLU A 51 -0.817 12.013 1.598 1.00 1.35 C ATOM 819 CD GLU A 51 -0.632 13.519 1.479 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.435 14.198 0.783 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.304 14.056 2.129 1.00 1.94 O ATOM 0 H GLU A 51 0.763 9.488 1.831 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.505 9.854 0.143 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.004 11.542 0.536 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.337 11.971 -0.508 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.873 11.742 1.577 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.410 11.638 2.537 1.00 1.35 H new ATOM 828 N ASP A 52 -0.483 9.595 -2.190 1.00 0.66 N ATOM 829 CA ASP A 52 -0.226 8.970 -3.450 1.00 0.65 C ATOM 830 C ASP A 52 1.042 9.374 -4.121 1.00 0.60 C ATOM 831 O ASP A 52 1.978 8.597 -4.311 1.00 0.62 O ATOM 832 CB ASP A 52 -1.429 9.195 -4.380 1.00 0.81 C ATOM 833 CG ASP A 52 -2.695 8.624 -3.757 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.928 7.394 -3.616 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.581 9.443 -3.393 1.00 1.44 O ATOM 0 H ASP A 52 -1.254 10.260 -2.253 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.088 7.911 -3.234 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.557 10.261 -4.568 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.245 8.721 -5.344 1.00 0.81 H new ATOM 840 N GLY A 53 1.182 10.678 -4.417 1.00 0.68 N ATOM 841 CA GLY A 53 2.409 11.256 -4.867 1.00 0.73 C ATOM 842 C GLY A 53 3.567 11.471 -3.953 1.00 0.72 C ATOM 843 O GLY A 53 4.450 12.281 -4.228 1.00 0.97 O ATOM 0 H GLY A 53 0.419 11.350 -4.341 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.768 10.632 -5.686 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.160 12.228 -5.292 1.00 0.73 H new ATOM 847 N ARG A 54 3.694 10.754 -2.823 1.00 0.64 N ATOM 848 CA ARG A 54 4.897 10.759 -2.049 1.00 0.63 C ATOM 849 C ARG A 54 5.706 9.557 -2.399 1.00 0.59 C ATOM 850 O ARG A 54 5.103 8.631 -2.937 1.00 0.62 O ATOM 851 CB ARG A 54 4.648 10.739 -0.531 1.00 0.69 C ATOM 852 CG ARG A 54 3.833 11.917 0.007 1.00 0.82 C ATOM 853 CD ARG A 54 4.673 13.196 0.000 1.00 1.18 C ATOM 854 NE ARG A 54 3.791 14.398 0.030 1.00 1.50 N ATOM 855 CZ ARG A 54 4.295 15.572 0.509 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.611 15.688 0.851 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.477 16.632 0.776 1.00 2.49 N ATOM 0 H ARG A 54 2.955 10.164 -2.441 1.00 0.64 H new ATOM 0 HA ARG A 54 5.416 11.687 -2.287 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.133 9.813 -0.275 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.611 10.720 -0.020 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.940 12.058 -0.602 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.496 11.701 1.021 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.340 13.205 0.862 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.302 13.221 -0.890 1.00 1.18 H new ATOM 0 HE ARG A 54 2.828 14.344 -0.302 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.236 14.889 0.750 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.969 16.574 1.207 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.472 16.553 0.618 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.870 17.502 1.134 1.00 2.49 H new ATOM 871 N THR A 55 7.015 9.423 -2.118 1.00 0.63 N ATOM 872 CA THR A 55 7.635 8.188 -2.485 1.00 0.61 C ATOM 873 C THR A 55 7.782 7.253 -1.333 1.00 0.59 C ATOM 874 O THR A 55 7.522 7.570 -0.174 1.00 0.64 O ATOM 875 CB THR A 55 8.967 8.459 -3.120 1.00 0.68 C ATOM 876 OG1 THR A 55 9.968 9.013 -2.278 1.00 0.75 O ATOM 877 CG2 THR A 55 8.713 9.393 -4.315 1.00 0.76 C ATOM 0 H THR A 55 7.611 10.118 -1.668 1.00 0.63 H new ATOM 0 HA THR A 55 6.980 7.694 -3.203 1.00 0.61 H new ATOM 0 HB THR A 55 9.380 7.491 -3.403 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.725 9.932 -2.042 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.658 9.618 -4.809 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.042 8.905 -5.022 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.259 10.319 -3.963 1.00 0.76 H new ATOM 885 N LEU A 56 8.294 6.035 -1.584 1.00 0.58 N ATOM 886 CA LEU A 56 8.640 5.063 -0.593 1.00 0.59 C ATOM 887 C LEU A 56 9.773 5.580 0.223 1.00 0.64 C ATOM 888 O LEU A 56 9.845 5.304 1.420 1.00 0.70 O ATOM 889 CB LEU A 56 8.976 3.706 -1.234 1.00 0.60 C ATOM 890 CG LEU A 56 7.786 2.948 -1.847 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.197 2.476 -3.252 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.333 1.863 -0.857 1.00 1.03 C ATOM 0 H LEU A 56 8.477 5.710 -2.533 1.00 0.58 H new ATOM 0 HA LEU A 56 7.783 4.895 0.059 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.721 3.867 -2.013 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.437 3.071 -0.477 1.00 0.60 H new ATOM 0 HG LEU A 56 6.901 3.565 -2.000 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.370 1.934 -3.710 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.450 3.340 -3.867 1.00 1.05 H new ATOM 0 HD13 LEU A 56 9.063 1.819 -3.176 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.489 1.316 -1.278 1.00 1.03 H new ATOM 0 HD22 LEU A 56 8.156 1.173 -0.672 1.00 1.03 H new ATOM 0 HD23 LEU A 56 7.032 2.329 0.081 1.00 1.03 H new ATOM 904 N SER A 57 10.684 6.338 -0.413 1.00 0.68 N ATOM 905 CA SER A 57 11.767 7.010 0.234 1.00 0.75 C ATOM 906 C SER A 57 11.386 7.971 1.307 1.00 0.76 C ATOM 907 O SER A 57 11.925 7.977 2.412 1.00 0.84 O ATOM 908 CB SER A 57 12.661 7.698 -0.811 1.00 0.84 C ATOM 909 OG SER A 57 13.908 8.095 -0.258 1.00 1.19 O ATOM 0 H SER A 57 10.665 6.489 -1.422 1.00 0.68 H new ATOM 0 HA SER A 57 12.313 6.223 0.755 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.833 7.019 -1.646 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.146 8.571 -1.211 1.00 0.84 H new ATOM 0 HG SER A 57 14.450 8.527 -0.951 1.00 1.19 H new ATOM 915 N ASP A 58 10.346 8.803 1.116 1.00 0.75 N ATOM 916 CA ASP A 58 9.881 9.817 2.010 1.00 0.78 C ATOM 917 C ASP A 58 9.201 9.315 3.238 1.00 0.77 C ATOM 918 O ASP A 58 9.287 9.985 4.265 1.00 0.86 O ATOM 919 CB ASP A 58 8.841 10.707 1.308 1.00 0.83 C ATOM 920 CG ASP A 58 9.343 11.390 0.044 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.126 12.366 0.189 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.886 11.043 -1.078 1.00 1.90 O ATOM 0 H ASP A 58 9.785 8.761 0.265 1.00 0.75 H new ATOM 0 HA ASP A 58 10.790 10.344 2.301 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.972 10.099 1.056 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.503 11.471 2.009 1.00 0.83 H new ATOM 927 N TYR A 59 8.529 8.151 3.185 1.00 0.72 N ATOM 928 CA TYR A 59 7.911 7.536 4.318 1.00 0.73 C ATOM 929 C TYR A 59 8.794 6.548 5.000 1.00 0.76 C ATOM 930 O TYR A 59 8.382 5.972 6.006 1.00 0.89 O ATOM 931 CB TYR A 59 6.592 6.883 3.869 1.00 0.73 C ATOM 932 CG TYR A 59 5.511 7.878 3.625 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.963 8.656 4.618 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.926 7.804 2.382 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.922 9.493 4.295 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.843 8.609 2.120 1.00 0.70 C ATOM 937 CZ TYR A 59 3.309 9.453 3.064 1.00 0.74 C ATOM 938 OH TYR A 59 2.271 10.364 2.774 1.00 0.86 O ATOM 0 H TYR A 59 8.412 7.619 2.322 1.00 0.72 H new ATOM 0 HA TYR A 59 7.713 8.312 5.058 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.766 6.311 2.957 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.264 6.176 4.631 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.342 8.610 5.628 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.308 7.130 1.630 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.574 10.204 5.030 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.396 8.577 1.137 1.00 0.70 H new ATOM 0 HH TYR A 59 2.416 11.195 3.273 1.00 0.86 H new ATOM 948 N ASN A 60 10.044 6.387 4.532 1.00 0.74 N ATOM 949 CA ASN A 60 11.077 5.477 4.923 1.00 0.79 C ATOM 950 C ASN A 60 10.620 4.060 4.968 1.00 0.75 C ATOM 951 O ASN A 60 10.563 3.394 6.000 1.00 0.86 O ATOM 952 CB ASN A 60 11.745 5.851 6.256 1.00 0.95 C ATOM 953 CG ASN A 60 12.524 7.157 6.187 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.896 8.214 6.222 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.867 7.090 5.978 1.00 1.83 N ATOM 0 H ASN A 60 10.372 6.982 3.771 1.00 0.74 H new ATOM 0 HA ASN A 60 11.826 5.568 4.136 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.981 5.931 7.029 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.419 5.048 6.556 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.405 7.946 5.840 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.336 6.184 5.959 1.00 1.83 H new ATOM 962 N ILE A 61 10.365 3.455 3.793 1.00 0.67 N ATOM 963 CA ILE A 61 9.907 2.114 3.602 1.00 0.65 C ATOM 964 C ILE A 61 11.000 1.223 3.121 1.00 0.66 C ATOM 965 O ILE A 61 11.732 1.500 2.172 1.00 0.75 O ATOM 966 CB ILE A 61 8.687 2.153 2.730 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.553 2.963 3.378 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.222 0.703 2.506 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.219 3.210 2.675 1.00 0.82 C ATOM 0 H ILE A 61 10.490 3.945 2.907 1.00 0.67 H new ATOM 0 HA ILE A 61 9.611 1.664 4.550 1.00 0.65 H new ATOM 0 HB ILE A 61 8.936 2.638 1.786 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.322 2.475 4.325 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.966 3.943 3.617 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.334 0.699 1.874 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.016 0.137 2.019 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.986 0.244 3.466 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.572 3.805 3.320 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.393 3.746 1.742 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.739 2.255 2.460 1.00 0.82 H new ATOM 981 N GLN A 62 11.209 0.208 3.979 1.00 0.67 N ATOM 982 CA GLN A 62 12.246 -0.762 3.806 1.00 0.70 C ATOM 983 C GLN A 62 11.793 -2.140 3.468 1.00 0.62 C ATOM 984 O GLN A 62 10.584 -2.345 3.387 1.00 0.64 O ATOM 985 CB GLN A 62 13.134 -0.851 5.058 1.00 0.85 C ATOM 986 CG GLN A 62 13.569 0.482 5.671 1.00 1.27 C ATOM 987 CD GLN A 62 14.487 0.219 6.856 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.327 -0.673 6.760 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.206 0.923 7.986 1.00 2.16 N ATOM 0 H GLN A 62 10.643 0.058 4.814 1.00 0.67 H new ATOM 0 HA GLN A 62 12.797 -0.390 2.942 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.599 -1.420 5.818 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.028 -1.420 4.805 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.085 1.087 4.925 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.695 1.049 5.993 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.489 1.648 7.970 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.712 0.725 8.849 1.00 2.16 H new ATOM 998 N LYS A 63 12.686 -3.115 3.215 1.00 0.64 N ATOM 999 CA LYS A 63 12.468 -4.511 2.994 1.00 0.62 C ATOM 1000 C LYS A 63 11.663 -5.303 3.966 1.00 0.59 C ATOM 1001 O LYS A 63 12.015 -5.399 5.139 1.00 0.66 O ATOM 1002 CB LYS A 63 13.782 -5.287 2.802 1.00 0.74 C ATOM 1003 CG LYS A 63 13.721 -6.780 2.472 1.00 0.89 C ATOM 1004 CD LYS A 63 14.961 -7.452 1.877 1.00 1.11 C ATOM 1005 CE LYS A 63 14.665 -8.824 1.271 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.679 -9.915 2.272 1.00 2.12 N ATOM 0 H LYS A 63 13.680 -2.892 3.160 1.00 0.64 H new ATOM 0 HA LYS A 63 11.854 -4.432 2.097 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.340 -4.796 2.005 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.366 -5.176 3.715 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.465 -7.311 3.389 1.00 0.89 H new ATOM 0 HG3 LYS A 63 12.897 -6.931 1.775 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.384 -6.805 1.108 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.717 -7.560 2.655 1.00 1.11 H new ATOM 0 HE2 LYS A 63 13.690 -8.797 0.785 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.401 -9.039 0.497 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 14.101 -10.708 1.929 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.657 -10.238 2.420 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.290 -9.566 3.171 1.00 2.12 H new ATOM 1020 N GLU A 64 10.530 -5.885 3.533 1.00 0.57 N ATOM 1021 CA GLU A 64 9.723 -6.820 4.254 1.00 0.58 C ATOM 1022 C GLU A 64 8.760 -6.132 5.159 1.00 0.56 C ATOM 1023 O GLU A 64 8.499 -6.501 6.303 1.00 0.70 O ATOM 1024 CB GLU A 64 10.374 -8.047 4.913 1.00 0.72 C ATOM 1025 CG GLU A 64 10.979 -9.023 3.901 1.00 0.96 C ATOM 1026 CD GLU A 64 11.949 -9.938 4.634 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.480 -10.954 5.212 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.171 -9.717 4.423 1.00 1.71 O ATOM 0 H GLU A 64 10.150 -5.685 2.608 1.00 0.57 H new ATOM 0 HA GLU A 64 9.197 -7.309 3.434 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.154 -7.713 5.597 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.627 -8.570 5.511 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.194 -9.608 3.423 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.496 -8.478 3.111 1.00 0.96 H new ATOM 1035 N SER A 65 8.233 -4.974 4.719 1.00 0.51 N ATOM 1036 CA SER A 65 7.378 -4.082 5.439 1.00 0.51 C ATOM 1037 C SER A 65 5.925 -4.378 5.291 1.00 0.43 C ATOM 1038 O SER A 65 5.478 -4.876 4.259 1.00 0.50 O ATOM 1039 CB SER A 65 7.536 -2.627 4.966 1.00 0.65 C ATOM 1040 OG SER A 65 8.832 -2.191 5.351 1.00 1.04 O ATOM 0 H SER A 65 8.424 -4.635 3.776 1.00 0.51 H new ATOM 0 HA SER A 65 7.690 -4.223 6.474 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.414 -2.560 3.885 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.770 -1.993 5.413 1.00 0.65 H new ATOM 0 HG SER A 65 9.387 -2.071 4.553 1.00 1.04 H new ATOM 1046 N THR A 66 5.119 -4.132 6.339 1.00 0.45 N ATOM 1047 CA THR A 66 3.720 -4.428 6.314 1.00 0.45 C ATOM 1048 C THR A 66 2.882 -3.198 6.234 1.00 0.43 C ATOM 1049 O THR A 66 2.909 -2.429 7.193 1.00 0.58 O ATOM 1050 CB THR A 66 3.237 -5.287 7.444 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.144 -6.356 7.673 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.920 -5.964 7.028 1.00 0.78 C ATOM 0 H THR A 66 5.442 -3.722 7.215 1.00 0.45 H new ATOM 0 HA THR A 66 3.601 -5.012 5.402 1.00 0.45 H new ATOM 0 HB THR A 66 3.130 -4.654 8.325 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.818 -6.908 8.414 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.560 -6.591 7.843 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.175 -5.202 6.801 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.090 -6.579 6.145 1.00 0.78 H new ATOM 1060 N LEU A 67 2.247 -2.917 5.082 1.00 0.38 N ATOM 1061 CA LEU A 67 1.398 -1.785 4.878 1.00 0.38 C ATOM 1062 C LEU A 67 0.027 -2.364 4.940 1.00 0.37 C ATOM 1063 O LEU A 67 -0.134 -3.496 4.486 1.00 0.50 O ATOM 1064 CB LEU A 67 1.732 -1.176 3.506 1.00 0.46 C ATOM 1065 CG LEU A 67 2.973 -0.267 3.472 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.299 -1.045 3.450 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.001 0.672 2.254 1.00 1.31 C ATOM 0 H LEU A 67 2.330 -3.507 4.254 1.00 0.38 H new ATOM 0 HA LEU A 67 1.510 -0.980 5.604 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.877 -1.987 2.793 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.872 -0.601 3.164 1.00 0.46 H new ATOM 0 HG LEU A 67 2.886 0.306 4.395 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.132 -0.343 3.426 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.372 -1.665 4.344 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.334 -1.679 2.564 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.901 1.286 2.289 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.001 0.080 1.338 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.121 1.316 2.270 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.000 -1.695 5.495 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.317 -2.235 5.630 1.00 0.37 C ATOM 1081 C HIS A 68 -3.116 -1.556 4.571 1.00 0.35 C ATOM 1082 O HIS A 68 -3.098 -0.333 4.435 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.847 -1.709 6.975 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.966 -2.122 8.118 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.047 -1.288 8.722 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.846 -3.307 8.773 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.408 -1.993 9.694 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.895 -3.217 9.770 1.00 1.51 N ATOM 0 H HIS A 68 -0.910 -0.747 5.862 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.354 -3.322 5.566 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.912 -0.622 6.940 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.857 -2.084 7.140 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.876 -0.312 8.481 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.416 -4.196 8.545 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.386 -1.606 10.316 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.876 -2.348 3.795 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.737 -1.918 2.737 1.00 0.38 C ATOM 1098 C LEU A 69 -6.117 -1.792 3.285 1.00 0.41 C ATOM 1099 O LEU A 69 -6.800 -2.729 3.697 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.773 -2.933 1.582 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.581 -2.468 0.359 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.136 -1.131 -0.256 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.498 -3.499 -0.780 1.00 1.14 C ATOM 0 H LEU A 69 -3.889 -3.361 3.916 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.361 -0.970 2.351 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.751 -3.146 1.269 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.196 -3.869 1.948 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.588 -2.349 0.759 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.770 -0.895 -1.111 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.223 -0.341 0.489 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.099 -1.208 -0.583 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.078 -3.146 -1.633 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.458 -3.630 -1.077 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.900 -4.453 -0.438 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.594 -0.539 3.390 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.958 -0.298 3.747 1.00 0.56 C ATOM 1117 C VAL A 70 -8.653 0.252 2.550 1.00 0.55 C ATOM 1118 O VAL A 70 -8.215 1.187 1.881 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.030 0.667 4.893 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.414 0.930 5.509 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.047 0.226 5.990 1.00 0.97 C ATOM 0 H VAL A 70 -6.040 0.302 3.229 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.439 -1.223 4.064 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.761 1.626 4.451 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.319 1.646 6.326 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.080 1.335 4.747 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.826 -0.004 5.891 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.096 0.925 6.825 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.313 -0.773 6.337 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.034 0.213 5.587 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.829 -0.330 2.254 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.625 0.172 1.177 1.00 0.84 C ATOM 1133 C LEU A 71 -11.703 1.085 1.648 1.00 0.85 C ATOM 1134 O LEU A 71 -12.334 0.855 2.678 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.137 -0.990 0.309 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.052 -1.990 -0.124 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.689 -2.908 -1.180 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.851 -1.282 -0.777 1.00 2.78 C ATOM 0 H LEU A 71 -10.223 -1.131 2.748 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.995 0.794 0.541 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.908 -1.527 0.861 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.611 -0.579 -0.582 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.693 -2.531 0.751 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.954 -3.638 -1.519 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.542 -3.428 -0.743 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.024 -2.310 -2.028 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.107 -2.023 -1.069 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.186 -0.737 -1.660 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.409 -0.584 -0.066 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.994 2.223 0.991 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.976 3.117 1.522 1.00 1.10 C ATOM 1152 C ARG A 72 -13.589 3.791 0.343 1.00 1.35 C ATOM 1153 O ARG A 72 -12.917 4.248 -0.579 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.346 4.152 2.470 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.271 5.158 3.158 1.00 1.65 C ATOM 1156 CD ARG A 72 -13.210 5.020 4.681 1.00 1.99 C ATOM 1157 NE ARG A 72 -14.163 5.977 5.311 1.00 2.54 N ATOM 1158 CZ ARG A 72 -14.008 6.561 6.535 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.859 6.575 7.273 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -15.043 7.296 7.036 1.00 3.75 N ATOM 0 H ARG A 72 -11.563 2.519 0.115 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.716 2.577 2.112 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.808 3.608 3.247 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.604 4.715 1.903 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.988 6.171 2.871 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -14.295 5.005 2.818 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -13.458 4.000 4.973 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -12.197 5.216 5.033 1.00 1.99 H new ATOM 0 HE ARG A 72 -15.002 6.216 4.783 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.018 6.121 6.916 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.842 7.039 8.181 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -15.904 7.397 6.498 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -14.956 7.744 7.948 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.930 3.720 0.267 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.754 4.302 -0.747 1.00 1.93 C ATOM 1176 C LEU A 73 -15.789 5.778 -0.552 1.00 2.13 C ATOM 1177 O LEU A 73 -15.651 6.282 0.562 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.210 3.807 -0.708 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.490 2.339 -1.074 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.990 2.072 -0.868 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.174 1.992 -2.539 1.00 3.14 C ATOM 0 H LEU A 73 -15.478 3.219 0.966 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.319 4.012 -1.703 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.593 3.978 0.298 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.793 4.435 -1.382 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.846 1.731 -0.438 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.213 1.036 -1.122 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.252 2.255 0.174 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.569 2.736 -1.510 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.397 0.941 -2.720 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.782 2.611 -3.199 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.119 2.178 -2.738 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.129 6.584 -1.575 1.00 2.32 N ATOM 1194 CA ARG A 74 -16.225 8.003 -1.427 1.00 2.55 C ATOM 1195 C ARG A 74 -17.603 8.371 -0.995 1.00 2.58 C ATOM 1196 O ARG A 74 -18.567 7.983 -1.652 1.00 3.08 O ATOM 1197 CB ARG A 74 -15.760 8.760 -2.683 1.00 3.29 C ATOM 1198 CG ARG A 74 -15.758 10.278 -2.495 1.00 4.01 C ATOM 1199 CD ARG A 74 -15.206 11.066 -3.686 1.00 4.67 C ATOM 1200 NE ARG A 74 -14.932 12.413 -3.111 1.00 5.36 N ATOM 1201 CZ ARG A 74 -14.786 13.523 -3.891 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -14.881 13.554 -5.252 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -14.439 14.702 -3.295 1.00 6.80 N ATOM 0 H ARG A 74 -16.339 6.247 -2.515 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.535 8.318 -0.644 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -14.756 8.430 -2.949 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.411 8.503 -3.518 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -16.778 10.608 -2.299 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -15.169 10.521 -1.611 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -14.301 10.608 -4.086 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -15.926 11.117 -4.503 1.00 4.67 H new ATOM 0 HE ARG A 74 -14.851 12.509 -2.099 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.077 12.697 -5.769 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -14.756 14.434 -5.752 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -14.294 14.740 -2.286 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -14.324 15.544 -3.859 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.729 9.068 0.149 1.00 2.73 N ATOM 1218 CA GLY A 75 -19.000 9.169 0.793 1.00 3.22 C ATOM 1219 C GLY A 75 -19.342 7.988 1.637 1.00 3.16 C ATOM 1220 O GLY A 75 -20.453 7.465 1.566 1.00 3.57 O ATOM 0 H GLY A 75 -16.965 9.553 0.620 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -19.012 10.064 1.415 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -19.772 9.298 0.034 1.00 3.22 H new ATOM 1224 N GLY A 76 -18.369 7.568 2.464 1.00 3.14 N ATOM 1225 CA GLY A 76 -18.445 6.483 3.392 1.00 3.37 C ATOM 1226 C GLY A 76 -17.280 6.249 4.342 1.00 3.48 C ATOM 1227 O GLY A 76 -16.842 7.264 4.948 1.00 3.87 O ATOM 1228 OXT GLY A 76 -16.725 5.119 4.385 1.00 3.70 O ATOM 0 H GLY A 76 -17.457 8.024 2.484 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -19.340 6.628 3.997 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -18.592 5.568 2.819 1.00 3.37 H new TER 1232 GLY A 76