USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot -53:sc= 0.0442 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.91 K(o=0.95,f=-5.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.208 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0697) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.27 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0.618 K(o=0.62,f=-4.7!) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00511) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.34 (180deg=1.09) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.326 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.93 (180deg=1.89) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 0.049 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.72) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= 0.558 K(o=0.56,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.401 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.474) USER MOD Single : A 65 SER OG : rot 97:sc= 0.669 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00522 X(o=-0.0052,f=-0.009) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.545 -4.346 -3.345 1.00 0.78 N ATOM 2 CA MET A 1 13.227 -5.081 -2.100 1.00 0.70 C ATOM 3 C MET A 1 11.812 -5.544 -2.071 1.00 0.62 C ATOM 4 O MET A 1 10.981 -5.058 -2.836 1.00 0.68 O ATOM 5 CB MET A 1 13.530 -4.117 -0.940 1.00 0.75 C ATOM 6 CG MET A 1 12.530 -3.004 -0.621 1.00 0.79 C ATOM 7 SD MET A 1 13.187 -1.725 0.493 1.00 1.10 S ATOM 8 CE MET A 1 11.902 -0.570 -0.063 1.00 0.84 C ATOM 0 H1 MET A 1 14.518 -3.983 -3.295 1.00 0.78 H new ATOM 0 H2 MET A 1 13.456 -4.987 -4.159 1.00 0.78 H new ATOM 0 H3 MET A 1 12.885 -3.550 -3.457 1.00 0.78 H new ATOM 0 HA MET A 1 13.828 -5.987 -2.025 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.654 -4.716 -0.038 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.492 -3.647 -1.145 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.214 -2.534 -1.552 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.642 -3.445 -0.169 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.963 0.350 0.519 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.050 -0.342 -1.119 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.920 -1.023 0.076 1.00 0.84 H new ATOM 20 N GLN A 2 11.426 -6.494 -1.201 1.00 0.59 N ATOM 21 CA GLN A 2 10.048 -6.853 -1.068 1.00 0.56 C ATOM 22 C GLN A 2 9.280 -6.117 -0.025 1.00 0.50 C ATOM 23 O GLN A 2 9.775 -5.903 1.080 1.00 0.60 O ATOM 24 CB GLN A 2 9.857 -8.369 -0.894 1.00 0.71 C ATOM 25 CG GLN A 2 10.380 -8.977 0.409 1.00 1.15 C ATOM 26 CD GLN A 2 11.895 -9.123 0.372 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.602 -8.142 0.594 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.334 -10.403 0.234 1.00 1.72 N ATOM 0 H GLN A 2 12.062 -7.010 -0.594 1.00 0.59 H new ATOM 0 HA GLN A 2 9.621 -6.535 -2.019 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.792 -8.590 -0.971 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.348 -8.873 -1.727 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.092 -8.347 1.250 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.921 -9.952 0.570 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.668 -11.154 0.050 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.329 -10.612 0.314 1.00 1.72 H new ATOM 37 N ILE A 3 8.051 -5.685 -0.359 1.00 0.44 N ATOM 38 CA ILE A 3 7.093 -5.233 0.603 1.00 0.42 C ATOM 39 C ILE A 3 5.877 -6.092 0.639 1.00 0.40 C ATOM 40 O ILE A 3 5.791 -6.895 -0.289 1.00 0.50 O ATOM 41 CB ILE A 3 6.789 -3.766 0.674 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.010 -3.339 -0.582 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.118 -3.034 0.931 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.488 -1.906 -0.483 1.00 0.72 C ATOM 0 H ILE A 3 7.714 -5.649 -1.321 1.00 0.44 H new ATOM 0 HA ILE A 3 7.637 -5.366 1.538 1.00 0.42 H new ATOM 0 HB ILE A 3 6.127 -3.500 1.498 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.656 -3.428 -1.455 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.172 -4.019 -0.735 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.937 -1.961 0.989 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.549 -3.381 1.870 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.811 -3.241 0.116 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.946 -1.653 -1.394 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.819 -1.821 0.373 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.327 -1.221 -0.358 1.00 0.72 H new ATOM 56 N PHE A 4 5.037 -6.073 1.689 1.00 0.37 N ATOM 57 CA PHE A 4 3.817 -6.812 1.802 1.00 0.38 C ATOM 58 C PHE A 4 2.656 -5.897 1.980 1.00 0.39 C ATOM 59 O PHE A 4 2.677 -4.889 2.686 1.00 0.60 O ATOM 60 CB PHE A 4 3.766 -7.710 3.049 1.00 0.45 C ATOM 61 CG PHE A 4 4.859 -8.717 3.157 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.174 -9.659 2.206 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.697 -8.674 4.245 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.080 -10.671 2.416 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.715 -9.585 4.410 1.00 1.40 C ATOM 66 CZ PHE A 4 6.886 -10.626 3.529 1.00 0.85 C ATOM 0 H PHE A 4 5.223 -5.503 2.514 1.00 0.37 H new ATOM 0 HA PHE A 4 3.774 -7.401 0.886 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.791 -7.075 3.934 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.810 -8.234 3.060 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.685 -9.601 1.245 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.553 -7.905 4.990 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.158 -11.490 1.716 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.391 -9.480 5.246 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.632 -11.387 3.706 1.00 0.85 H new ATOM 76 N VAL A 5 1.555 -6.339 1.346 1.00 0.35 N ATOM 77 CA VAL A 5 0.325 -5.625 1.493 1.00 0.35 C ATOM 78 C VAL A 5 -0.658 -6.524 2.161 1.00 0.35 C ATOM 79 O VAL A 5 -0.905 -7.626 1.672 1.00 0.46 O ATOM 80 CB VAL A 5 -0.122 -5.056 0.179 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.328 -4.136 0.435 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.022 -4.276 -0.489 1.00 0.56 C ATOM 0 H VAL A 5 1.514 -7.165 0.749 1.00 0.35 H new ATOM 0 HA VAL A 5 0.443 -4.751 2.134 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.409 -5.862 -0.496 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.669 -3.712 -0.509 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.136 -4.712 0.886 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.035 -3.332 1.110 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.679 -3.871 -1.441 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.334 -3.459 0.162 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.865 -4.944 -0.662 1.00 0.56 H new ATOM 92 N LYS A 6 -1.299 -6.082 3.258 1.00 0.36 N ATOM 93 CA LYS A 6 -2.296 -6.867 3.916 1.00 0.39 C ATOM 94 C LYS A 6 -3.612 -6.380 3.414 1.00 0.46 C ATOM 95 O LYS A 6 -3.842 -5.173 3.394 1.00 0.53 O ATOM 96 CB LYS A 6 -2.153 -6.798 5.446 1.00 0.54 C ATOM 97 CG LYS A 6 -3.010 -7.800 6.222 1.00 1.22 C ATOM 98 CD LYS A 6 -2.864 -9.259 5.790 1.00 1.37 C ATOM 99 CE LYS A 6 -3.163 -10.290 6.880 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.254 -10.323 8.048 1.00 2.09 N ATOM 0 H LYS A 6 -1.125 -5.175 3.691 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.189 -7.928 3.689 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.107 -6.960 5.706 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.411 -5.791 5.775 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.759 -7.725 7.280 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -4.056 -7.512 6.122 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.530 -9.441 4.947 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.847 -9.416 5.432 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -4.175 -10.112 7.244 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.158 -11.278 6.420 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.545 -11.085 8.693 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.281 -10.496 7.725 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.297 -9.411 8.547 1.00 2.09 H new ATOM 114 N THR A 7 -4.524 -7.333 3.153 1.00 0.58 N ATOM 115 CA THR A 7 -5.871 -6.998 2.808 1.00 0.78 C ATOM 116 C THR A 7 -6.761 -7.083 4.000 1.00 0.94 C ATOM 117 O THR A 7 -6.443 -7.356 5.156 1.00 0.99 O ATOM 118 CB THR A 7 -6.440 -7.793 1.669 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.813 -9.087 2.116 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.457 -7.766 0.487 1.00 0.92 C ATOM 0 H THR A 7 -4.330 -8.334 3.181 1.00 0.58 H new ATOM 0 HA THR A 7 -5.828 -5.968 2.454 1.00 0.78 H new ATOM 0 HB THR A 7 -7.362 -7.348 1.296 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.185 -9.597 1.367 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.868 -8.343 -0.341 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.299 -6.736 0.169 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.506 -8.200 0.795 1.00 0.92 H new ATOM 128 N LEU A 8 -8.064 -6.803 3.815 1.00 1.17 N ATOM 129 CA LEU A 8 -9.057 -6.934 4.836 1.00 1.39 C ATOM 130 C LEU A 8 -9.471 -8.349 5.055 1.00 1.44 C ATOM 131 O LEU A 8 -9.447 -8.817 6.192 1.00 1.60 O ATOM 132 CB LEU A 8 -10.268 -6.016 4.599 1.00 1.66 C ATOM 133 CG LEU A 8 -9.874 -4.530 4.588 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.095 -3.675 4.209 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.285 -3.964 5.891 1.00 2.43 C ATOM 0 H LEU A 8 -8.439 -6.474 2.925 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.582 -6.600 5.759 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.737 -6.273 3.649 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.011 -6.188 5.378 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.069 -4.479 3.855 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.814 -2.622 4.202 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.448 -3.963 3.219 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.890 -3.833 4.938 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.048 -2.909 5.755 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.012 -4.072 6.696 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.377 -4.510 6.147 1.00 2.43 H new ATOM 147 N THR A 9 -9.841 -9.070 3.982 1.00 1.41 N ATOM 148 CA THR A 9 -10.220 -10.449 3.995 1.00 1.51 C ATOM 149 C THR A 9 -9.224 -11.406 4.553 1.00 1.37 C ATOM 150 O THR A 9 -9.579 -12.204 5.419 1.00 1.62 O ATOM 151 CB THR A 9 -10.740 -10.992 2.698 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.821 -10.935 1.617 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.874 -10.015 2.346 1.00 2.08 C ATOM 0 H THR A 9 -9.878 -8.664 3.047 1.00 1.41 H new ATOM 0 HA THR A 9 -11.049 -10.392 4.701 1.00 1.51 H new ATOM 0 HB THR A 9 -11.000 -12.043 2.825 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.238 -11.309 0.813 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.334 -10.315 1.405 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.624 -10.028 3.137 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.469 -9.008 2.247 1.00 2.08 H new ATOM 161 N GLY A 10 -7.927 -11.294 4.216 1.00 1.18 N ATOM 162 CA GLY A 10 -6.841 -12.096 4.687 1.00 1.22 C ATOM 163 C GLY A 10 -5.988 -12.562 3.557 1.00 0.99 C ATOM 164 O GLY A 10 -5.851 -13.757 3.303 1.00 1.31 O ATOM 0 H GLY A 10 -7.613 -10.581 3.558 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.238 -11.520 5.389 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.230 -12.956 5.232 1.00 1.22 H new ATOM 168 N LYS A 11 -5.361 -11.664 2.776 1.00 0.73 N ATOM 169 CA LYS A 11 -4.513 -12.101 1.711 1.00 0.60 C ATOM 170 C LYS A 11 -3.327 -11.207 1.835 1.00 0.51 C ATOM 171 O LYS A 11 -3.369 -10.110 2.389 1.00 0.63 O ATOM 172 CB LYS A 11 -5.336 -11.877 0.431 1.00 0.75 C ATOM 173 CG LYS A 11 -4.663 -12.455 -0.815 1.00 0.87 C ATOM 174 CD LYS A 11 -3.851 -11.434 -1.614 1.00 1.04 C ATOM 175 CE LYS A 11 -2.865 -12.049 -2.609 1.00 1.30 C ATOM 176 NZ LYS A 11 -3.502 -12.719 -3.765 1.00 1.40 N ATOM 0 H LYS A 11 -5.439 -10.652 2.879 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.184 -13.140 1.715 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.319 -12.333 0.552 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.496 -10.808 0.289 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.006 -13.271 -0.515 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.428 -12.883 -1.463 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.539 -10.786 -2.157 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -3.299 -10.802 -0.918 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.203 -11.265 -2.978 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.241 -12.772 -2.084 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -2.859 -13.442 -4.145 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.388 -13.170 -3.460 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -3.707 -12.016 -4.504 1.00 1.40 H new ATOM 190 N THR A 12 -2.164 -11.646 1.321 1.00 0.49 N ATOM 191 CA THR A 12 -0.928 -10.934 1.416 1.00 0.48 C ATOM 192 C THR A 12 -0.241 -10.888 0.095 1.00 0.52 C ATOM 193 O THR A 12 0.052 -11.862 -0.596 1.00 0.72 O ATOM 194 CB THR A 12 0.005 -11.637 2.357 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.604 -11.652 3.639 1.00 0.77 O ATOM 196 CG2 THR A 12 1.347 -10.896 2.486 1.00 0.78 C ATOM 0 H THR A 12 -2.082 -12.531 0.820 1.00 0.49 H new ATOM 0 HA THR A 12 -1.163 -9.929 1.766 1.00 0.48 H new ATOM 0 HB THR A 12 0.196 -12.639 1.973 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.015 -12.108 4.276 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.996 -11.436 3.176 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.826 -10.837 1.508 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.172 -9.889 2.865 1.00 0.78 H new ATOM 204 N ILE A 13 0.017 -9.658 -0.383 1.00 0.48 N ATOM 205 CA ILE A 13 0.590 -9.347 -1.655 1.00 0.55 C ATOM 206 C ILE A 13 2.021 -9.007 -1.414 1.00 0.51 C ATOM 207 O ILE A 13 2.387 -7.990 -0.826 1.00 0.56 O ATOM 208 CB ILE A 13 -0.172 -8.260 -2.352 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.681 -8.210 -2.056 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.014 -8.401 -3.872 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.448 -6.989 -2.563 1.00 1.55 C ATOM 0 H ILE A 13 -0.191 -8.820 0.161 1.00 0.48 H new ATOM 0 HA ILE A 13 0.531 -10.198 -2.334 1.00 0.55 H new ATOM 0 HB ILE A 13 0.244 -7.332 -1.960 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.140 -9.101 -2.485 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.816 -8.271 -0.976 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.539 -7.612 -4.381 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.073 -8.319 -4.118 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.359 -9.373 -4.196 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.499 -7.079 -2.288 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.032 -6.086 -2.115 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.361 -6.929 -3.648 1.00 1.55 H new ATOM 223 N THR A 14 2.929 -9.838 -1.956 1.00 0.55 N ATOM 224 CA THR A 14 4.324 -9.534 -1.872 1.00 0.54 C ATOM 225 C THR A 14 4.679 -8.796 -3.116 1.00 0.55 C ATOM 226 O THR A 14 4.420 -9.222 -4.241 1.00 0.72 O ATOM 227 CB THR A 14 5.164 -10.765 -1.702 1.00 0.67 C ATOM 228 OG1 THR A 14 4.768 -11.598 -0.622 1.00 1.08 O ATOM 229 CG2 THR A 14 6.596 -10.315 -1.370 1.00 1.03 C ATOM 0 H THR A 14 2.704 -10.705 -2.444 1.00 0.55 H new ATOM 0 HA THR A 14 4.524 -8.926 -0.990 1.00 0.54 H new ATOM 0 HB THR A 14 5.065 -11.331 -2.628 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.994 -11.163 0.227 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.232 -11.191 -1.240 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.983 -9.703 -2.185 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.590 -9.732 -0.449 1.00 1.03 H new ATOM 237 N LEU A 15 5.085 -7.520 -2.981 1.00 0.50 N ATOM 238 CA LEU A 15 5.426 -6.710 -4.110 1.00 0.55 C ATOM 239 C LEU A 15 6.853 -6.282 -4.080 1.00 0.52 C ATOM 240 O LEU A 15 7.498 -6.004 -3.071 1.00 0.58 O ATOM 241 CB LEU A 15 4.540 -5.454 -4.058 1.00 0.69 C ATOM 242 CG LEU A 15 3.007 -5.585 -4.059 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.244 -4.252 -3.970 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.575 -6.400 -5.290 1.00 1.55 C ATOM 0 H LEU A 15 5.178 -7.046 -2.082 1.00 0.50 H new ATOM 0 HA LEU A 15 5.271 -7.290 -5.020 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.816 -4.901 -3.160 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.811 -4.832 -4.911 1.00 0.69 H new ATOM 0 HG LEU A 15 2.735 -6.107 -3.141 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.171 -4.446 -3.977 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.514 -3.739 -3.047 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.505 -3.626 -4.823 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.489 -6.498 -5.299 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.901 -5.890 -6.197 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.028 -7.390 -5.248 1.00 1.55 H new ATOM 256 N GLU A 16 7.404 -6.148 -5.299 1.00 0.59 N ATOM 257 CA GLU A 16 8.732 -5.702 -5.585 1.00 0.63 C ATOM 258 C GLU A 16 8.759 -4.224 -5.765 1.00 0.65 C ATOM 259 O GLU A 16 8.112 -3.652 -6.642 1.00 0.81 O ATOM 260 CB GLU A 16 9.367 -6.534 -6.713 1.00 0.76 C ATOM 261 CG GLU A 16 8.454 -6.753 -7.921 1.00 1.41 C ATOM 262 CD GLU A 16 7.490 -7.921 -7.776 1.00 1.52 C ATOM 263 OE1 GLU A 16 7.946 -9.040 -8.133 1.00 1.92 O ATOM 264 OE2 GLU A 16 6.340 -7.760 -7.286 1.00 1.95 O ATOM 0 H GLU A 16 6.881 -6.368 -6.147 1.00 0.59 H new ATOM 0 HA GLU A 16 9.383 -5.885 -4.730 1.00 0.63 H new ATOM 0 HB2 GLU A 16 10.279 -6.038 -7.046 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.660 -7.504 -6.313 1.00 0.76 H new ATOM 0 HG2 GLU A 16 7.880 -5.843 -8.097 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.072 -6.915 -8.804 1.00 1.41 H new ATOM 271 N VAL A 17 9.567 -3.554 -4.923 1.00 0.61 N ATOM 272 CA VAL A 17 9.626 -2.125 -4.951 1.00 0.63 C ATOM 273 C VAL A 17 11.015 -1.624 -4.754 1.00 0.65 C ATOM 274 O VAL A 17 11.807 -2.397 -4.217 1.00 0.76 O ATOM 275 CB VAL A 17 8.701 -1.457 -3.979 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.213 -1.625 -4.329 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.930 -2.005 -2.560 1.00 0.92 C ATOM 0 H VAL A 17 10.173 -3.995 -4.231 1.00 0.61 H new ATOM 0 HA VAL A 17 9.284 -1.854 -5.950 1.00 0.63 H new ATOM 0 HB VAL A 17 8.936 -0.394 -4.033 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.604 -1.116 -3.582 1.00 0.96 H new ATOM 0 HG12 VAL A 17 7.019 -1.193 -5.311 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.960 -2.685 -4.342 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.251 -1.511 -1.865 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.741 -3.078 -2.550 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.960 -1.815 -2.258 1.00 0.92 H new ATOM 287 N GLU A 18 11.367 -0.346 -4.984 1.00 0.68 N ATOM 288 CA GLU A 18 12.499 0.299 -4.394 1.00 0.74 C ATOM 289 C GLU A 18 12.158 1.478 -3.549 1.00 0.71 C ATOM 290 O GLU A 18 10.975 1.809 -3.495 1.00 0.74 O ATOM 291 CB GLU A 18 13.563 0.635 -5.452 1.00 0.88 C ATOM 292 CG GLU A 18 14.168 -0.508 -6.271 1.00 1.16 C ATOM 293 CD GLU A 18 15.127 -1.443 -5.547 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.855 -1.040 -4.601 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.140 -2.650 -5.907 1.00 2.33 O ATOM 0 H GLU A 18 10.839 0.264 -5.608 1.00 0.68 H new ATOM 0 HA GLU A 18 12.925 -0.427 -3.701 1.00 0.74 H new ATOM 0 HB2 GLU A 18 13.122 1.346 -6.151 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.381 1.150 -4.947 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.351 -1.106 -6.674 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.694 -0.074 -7.121 1.00 1.16 H new ATOM 302 N PRO A 19 13.056 2.098 -2.843 1.00 0.74 N ATOM 303 CA PRO A 19 12.570 3.207 -2.073 1.00 0.74 C ATOM 304 C PRO A 19 12.258 4.485 -2.771 1.00 0.70 C ATOM 305 O PRO A 19 11.602 5.350 -2.192 1.00 0.74 O ATOM 306 CB PRO A 19 13.800 3.479 -1.210 1.00 0.86 C ATOM 307 CG PRO A 19 14.504 2.129 -0.996 1.00 0.95 C ATOM 308 CD PRO A 19 14.340 1.562 -2.415 1.00 0.82 C ATOM 0 HA PRO A 19 11.614 2.938 -1.623 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.466 4.188 -1.701 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.512 3.920 -0.256 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.548 2.238 -0.701 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.021 1.515 -0.236 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.149 1.882 -3.072 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.341 0.472 -2.415 1.00 0.82 H new ATOM 316 N SER A 20 12.675 4.588 -4.046 1.00 0.70 N ATOM 317 CA SER A 20 12.304 5.647 -4.934 1.00 0.74 C ATOM 318 C SER A 20 10.946 5.444 -5.510 1.00 0.71 C ATOM 319 O SER A 20 10.415 6.338 -6.169 1.00 0.80 O ATOM 320 CB SER A 20 13.282 5.752 -6.116 1.00 0.89 C ATOM 321 OG SER A 20 14.578 5.979 -5.581 1.00 1.45 O ATOM 0 H SER A 20 13.297 3.904 -4.477 1.00 0.70 H new ATOM 0 HA SER A 20 12.323 6.556 -4.332 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.267 4.837 -6.708 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.994 6.567 -6.781 1.00 0.89 H new ATOM 0 HG SER A 20 15.226 6.049 -6.313 1.00 1.45 H new ATOM 327 N ASP A 21 10.250 4.330 -5.223 1.00 0.70 N ATOM 328 CA ASP A 21 8.935 4.132 -5.747 1.00 0.73 C ATOM 329 C ASP A 21 7.981 4.888 -4.887 1.00 0.64 C ATOM 330 O ASP A 21 8.211 5.056 -3.690 1.00 0.66 O ATOM 331 CB ASP A 21 8.575 2.638 -5.826 1.00 0.87 C ATOM 332 CG ASP A 21 9.270 1.931 -6.981 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.145 2.502 -8.097 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.686 0.745 -6.894 1.00 1.69 O ATOM 0 H ASP A 21 10.594 3.572 -4.633 1.00 0.70 H new ATOM 0 HA ASP A 21 8.882 4.505 -6.770 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.848 2.152 -4.889 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.496 2.533 -5.937 1.00 0.87 H new ATOM 339 N THR A 22 6.857 5.325 -5.482 1.00 0.63 N ATOM 340 CA THR A 22 5.844 6.041 -4.771 1.00 0.58 C ATOM 341 C THR A 22 4.753 5.198 -4.206 1.00 0.53 C ATOM 342 O THR A 22 4.613 4.038 -4.590 1.00 0.58 O ATOM 343 CB THR A 22 5.319 7.252 -5.485 1.00 0.63 C ATOM 344 OG1 THR A 22 4.461 6.864 -6.548 1.00 0.70 O ATOM 345 CG2 THR A 22 6.488 8.095 -6.021 1.00 0.75 C ATOM 0 H THR A 22 6.648 5.180 -6.470 1.00 0.63 H new ATOM 0 HA THR A 22 6.388 6.419 -3.906 1.00 0.58 H new ATOM 0 HB THR A 22 4.746 7.855 -4.781 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.922 6.216 -7.121 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.097 8.972 -6.538 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.118 8.414 -5.190 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.079 7.498 -6.716 1.00 0.75 H new ATOM 353 N ILE A 23 3.962 5.745 -3.266 1.00 0.51 N ATOM 354 CA ILE A 23 2.779 5.130 -2.747 1.00 0.48 C ATOM 355 C ILE A 23 1.674 4.902 -3.719 1.00 0.48 C ATOM 356 O ILE A 23 0.934 3.935 -3.541 1.00 0.51 O ATOM 357 CB ILE A 23 2.434 5.990 -1.567 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.551 6.144 -0.520 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.034 5.664 -1.021 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.190 4.911 0.115 1.00 0.73 C ATOM 0 H ILE A 23 4.155 6.656 -2.849 1.00 0.51 H new ATOM 0 HA ILE A 23 2.956 4.092 -2.467 1.00 0.48 H new ATOM 0 HB ILE A 23 2.366 7.012 -1.939 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.352 6.718 -0.985 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.151 6.753 0.291 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.818 6.306 -0.167 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.291 5.834 -1.800 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.999 4.620 -0.708 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.955 5.223 0.826 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.426 4.332 0.634 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.646 4.297 -0.662 1.00 0.73 H new ATOM 372 N GLU A 24 1.631 5.648 -4.838 1.00 0.50 N ATOM 373 CA GLU A 24 0.868 5.472 -6.035 1.00 0.53 C ATOM 374 C GLU A 24 1.292 4.257 -6.787 1.00 0.50 C ATOM 375 O GLU A 24 0.509 3.424 -7.242 1.00 0.55 O ATOM 376 CB GLU A 24 0.974 6.743 -6.895 1.00 0.64 C ATOM 377 CG GLU A 24 0.340 6.694 -8.286 1.00 0.95 C ATOM 378 CD GLU A 24 0.756 7.864 -9.165 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.919 7.868 -9.651 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.041 8.807 -9.421 1.00 1.56 O ATOM 0 H GLU A 24 2.210 6.485 -4.907 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.177 5.314 -5.768 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.517 7.565 -6.343 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.030 6.986 -7.012 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.619 5.761 -8.775 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.745 6.689 -8.186 1.00 0.95 H new ATOM 387 N ASN A 25 2.615 4.067 -6.934 1.00 0.51 N ATOM 388 CA ASN A 25 3.202 2.940 -7.591 1.00 0.52 C ATOM 389 C ASN A 25 2.810 1.621 -7.023 1.00 0.47 C ATOM 390 O ASN A 25 2.830 0.636 -7.761 1.00 0.53 O ATOM 391 CB ASN A 25 4.740 2.897 -7.614 1.00 0.64 C ATOM 392 CG ASN A 25 5.380 3.903 -8.560 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.178 4.780 -8.233 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.063 3.731 -9.870 1.00 1.57 N ATOM 0 H ASN A 25 3.306 4.728 -6.579 1.00 0.51 H new ATOM 0 HA ASN A 25 2.806 3.093 -8.595 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.112 3.077 -6.605 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.060 1.894 -7.898 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.487 4.329 -10.580 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.402 3.004 -10.143 1.00 1.57 H new ATOM 401 N VAL A 26 2.673 1.490 -5.692 1.00 0.45 N ATOM 402 CA VAL A 26 2.213 0.348 -4.964 1.00 0.44 C ATOM 403 C VAL A 26 0.782 0.007 -5.201 1.00 0.40 C ATOM 404 O VAL A 26 0.425 -1.165 -5.308 1.00 0.44 O ATOM 405 CB VAL A 26 2.406 0.612 -3.500 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.871 -0.452 -2.527 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.916 0.793 -3.267 1.00 0.62 C ATOM 0 H VAL A 26 2.908 2.260 -5.066 1.00 0.45 H new ATOM 0 HA VAL A 26 2.796 -0.503 -5.316 1.00 0.44 H new ATOM 0 HB VAL A 26 1.811 1.497 -3.274 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.073 -0.142 -1.502 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.796 -0.565 -2.667 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.364 -1.404 -2.722 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.100 0.988 -2.211 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.442 -0.114 -3.566 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.277 1.634 -3.859 1.00 0.62 H new ATOM 417 N LYS A 27 -0.039 1.060 -5.368 1.00 0.40 N ATOM 418 CA LYS A 27 -1.412 0.904 -5.737 1.00 0.41 C ATOM 419 C LYS A 27 -1.740 0.382 -7.094 1.00 0.38 C ATOM 420 O LYS A 27 -2.585 -0.506 -7.192 1.00 0.42 O ATOM 421 CB LYS A 27 -2.131 2.254 -5.575 1.00 0.51 C ATOM 422 CG LYS A 27 -2.229 2.845 -4.168 1.00 0.76 C ATOM 423 CD LYS A 27 -2.917 4.212 -4.204 1.00 0.82 C ATOM 424 CE LYS A 27 -3.488 4.592 -2.837 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.331 5.798 -2.995 1.00 1.11 N ATOM 0 H LYS A 27 0.253 2.030 -5.246 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.749 0.118 -5.061 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.625 2.981 -6.209 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.144 2.143 -5.963 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.787 2.168 -3.521 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.232 2.945 -3.740 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.203 4.971 -4.524 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.719 4.197 -4.942 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.077 3.769 -2.431 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.681 4.785 -2.130 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.767 6.039 -2.082 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.743 6.593 -3.318 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.076 5.611 -3.696 1.00 1.11 H new ATOM 439 N ALA A 28 -1.015 0.782 -8.154 1.00 0.39 N ATOM 440 CA ALA A 28 -1.120 0.199 -9.454 1.00 0.39 C ATOM 441 C ALA A 28 -0.919 -1.275 -9.549 1.00 0.36 C ATOM 442 O ALA A 28 -1.565 -1.974 -10.329 1.00 0.42 O ATOM 443 CB ALA A 28 -0.087 0.917 -10.340 1.00 0.51 C ATOM 0 H ALA A 28 -0.332 1.538 -8.103 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.154 0.333 -9.772 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.126 0.507 -11.349 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.313 1.983 -10.372 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.911 0.770 -9.927 1.00 0.51 H new ATOM 449 N LYS A 29 0.015 -1.781 -8.724 1.00 0.39 N ATOM 450 CA LYS A 29 0.236 -3.175 -8.495 1.00 0.43 C ATOM 451 C LYS A 29 -0.940 -3.896 -7.932 1.00 0.44 C ATOM 452 O LYS A 29 -1.232 -4.999 -8.392 1.00 0.54 O ATOM 453 CB LYS A 29 1.502 -3.439 -7.662 1.00 0.54 C ATOM 454 CG LYS A 29 2.748 -2.849 -8.326 1.00 0.65 C ATOM 455 CD LYS A 29 3.819 -2.812 -7.235 1.00 1.08 C ATOM 456 CE LYS A 29 5.093 -2.033 -7.571 1.00 1.24 C ATOM 457 NZ LYS A 29 5.789 -2.729 -8.676 1.00 1.44 N ATOM 0 H LYS A 29 0.648 -1.187 -8.189 1.00 0.39 H new ATOM 0 HA LYS A 29 0.394 -3.593 -9.489 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.380 -3.008 -6.668 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.634 -4.513 -7.530 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.069 -3.460 -9.169 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.549 -1.850 -8.714 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.379 -2.380 -6.336 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.097 -3.837 -6.992 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.847 -1.012 -7.861 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.740 -1.969 -6.696 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.711 -3.076 -8.342 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.213 -3.533 -8.998 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.933 -2.068 -9.466 1.00 1.44 H new ATOM 471 N ILE A 30 -1.665 -3.270 -6.989 1.00 0.41 N ATOM 472 CA ILE A 30 -2.828 -3.801 -6.349 1.00 0.44 C ATOM 473 C ILE A 30 -3.979 -3.701 -7.292 1.00 0.45 C ATOM 474 O ILE A 30 -4.840 -4.577 -7.359 1.00 0.56 O ATOM 475 CB ILE A 30 -2.985 -3.096 -5.035 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.767 -3.327 -4.125 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.265 -3.538 -4.303 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.621 -2.245 -3.055 1.00 1.32 C ATOM 0 H ILE A 30 -1.425 -2.337 -6.653 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.754 -4.862 -6.111 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.061 -2.032 -5.259 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.857 -4.300 -3.643 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.863 -3.356 -4.734 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.344 -3.006 -3.355 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.134 -3.311 -4.920 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.224 -4.611 -4.114 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.746 -2.457 -2.441 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.502 -1.273 -3.534 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.511 -2.233 -2.426 1.00 1.32 H new ATOM 490 N GLN A 31 -4.010 -2.683 -8.170 1.00 0.41 N ATOM 491 CA GLN A 31 -4.985 -2.508 -9.202 1.00 0.48 C ATOM 492 C GLN A 31 -4.918 -3.538 -10.277 1.00 0.52 C ATOM 493 O GLN A 31 -5.979 -3.982 -10.712 1.00 0.66 O ATOM 494 CB GLN A 31 -5.029 -1.108 -9.836 1.00 0.52 C ATOM 495 CG GLN A 31 -6.062 -0.725 -10.898 1.00 0.70 C ATOM 496 CD GLN A 31 -5.795 0.600 -11.599 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.957 1.423 -11.235 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.520 0.804 -12.732 1.00 1.43 N ATOM 0 H GLN A 31 -3.313 -1.938 -8.159 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.917 -2.638 -8.652 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.143 -0.397 -9.018 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.047 -0.933 -10.276 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.102 -1.515 -11.648 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.045 -0.680 -10.429 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.213 0.115 -13.025 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.371 1.646 -13.288 1.00 1.43 H new ATOM 507 N ASP A 32 -3.733 -3.925 -10.785 1.00 0.50 N ATOM 508 CA ASP A 32 -3.407 -5.019 -11.644 1.00 0.60 C ATOM 509 C ASP A 32 -3.813 -6.314 -11.029 1.00 0.65 C ATOM 510 O ASP A 32 -4.653 -7.051 -11.544 1.00 0.81 O ATOM 511 CB ASP A 32 -1.910 -5.001 -11.996 1.00 0.67 C ATOM 512 CG ASP A 32 -1.546 -5.832 -13.219 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.334 -5.814 -14.202 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.464 -6.472 -13.158 1.00 1.51 O ATOM 0 H ASP A 32 -2.893 -3.393 -10.558 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.966 -4.911 -12.573 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.601 -3.970 -12.166 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.343 -5.367 -11.140 1.00 0.67 H new ATOM 519 N LYS A 33 -3.174 -6.686 -9.905 1.00 0.62 N ATOM 520 CA LYS A 33 -3.358 -7.933 -9.230 1.00 0.73 C ATOM 521 C LYS A 33 -4.718 -8.339 -8.776 1.00 0.69 C ATOM 522 O LYS A 33 -5.299 -9.349 -9.170 1.00 0.83 O ATOM 523 CB LYS A 33 -2.410 -8.084 -8.028 1.00 0.85 C ATOM 524 CG LYS A 33 -0.968 -8.193 -8.525 1.00 1.31 C ATOM 525 CD LYS A 33 0.085 -8.405 -7.436 1.00 1.71 C ATOM 526 CE LYS A 33 1.542 -8.242 -7.877 1.00 2.26 C ATOM 527 NZ LYS A 33 1.857 -9.180 -8.977 1.00 2.62 N ATOM 0 H LYS A 33 -2.493 -6.084 -9.443 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.132 -8.608 -10.056 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.512 -7.228 -7.361 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.675 -8.970 -7.452 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.907 -9.020 -9.232 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.721 -7.285 -9.074 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.111 -7.702 -6.626 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.041 -9.407 -7.026 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.717 -7.217 -8.204 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.207 -8.425 -7.033 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.849 -9.057 -9.265 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.709 -10.157 -8.653 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.235 -8.986 -9.787 1.00 2.62 H new ATOM 541 N GLU A 34 -5.330 -7.417 -8.012 1.00 0.63 N ATOM 542 CA GLU A 34 -6.483 -7.659 -7.201 1.00 0.67 C ATOM 543 C GLU A 34 -7.641 -6.796 -7.570 1.00 0.69 C ATOM 544 O GLU A 34 -8.759 -6.988 -7.095 1.00 0.95 O ATOM 545 CB GLU A 34 -6.166 -7.619 -5.697 1.00 0.73 C ATOM 546 CG GLU A 34 -5.091 -8.587 -5.197 1.00 0.83 C ATOM 547 CD GLU A 34 -5.522 -10.039 -5.055 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.634 -10.241 -4.497 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.782 -10.999 -5.397 1.00 1.48 O ATOM 0 H GLU A 34 -5.003 -6.452 -7.957 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.794 -8.681 -7.417 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.857 -6.605 -5.441 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.087 -7.820 -5.149 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.244 -8.544 -5.881 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.736 -8.237 -4.228 1.00 0.83 H new ATOM 556 N GLY A 35 -7.459 -5.872 -8.530 1.00 0.63 N ATOM 557 CA GLY A 35 -8.521 -5.128 -9.134 1.00 0.68 C ATOM 558 C GLY A 35 -8.908 -3.823 -8.529 1.00 0.76 C ATOM 559 O GLY A 35 -9.696 -3.078 -9.108 1.00 1.12 O ATOM 0 H GLY A 35 -6.539 -5.634 -8.899 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.248 -4.944 -10.173 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.406 -5.764 -9.145 1.00 0.68 H new ATOM 563 N ILE A 36 -8.369 -3.404 -7.370 1.00 0.70 N ATOM 564 CA ILE A 36 -8.795 -2.273 -6.606 1.00 0.76 C ATOM 565 C ILE A 36 -8.427 -0.944 -7.170 1.00 0.71 C ATOM 566 O ILE A 36 -7.231 -0.659 -7.156 1.00 0.73 O ATOM 567 CB ILE A 36 -8.354 -2.284 -5.173 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.825 -3.484 -4.334 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.158 -1.152 -4.509 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.966 -4.739 -4.488 1.00 1.16 C ATOM 0 H ILE A 36 -7.582 -3.889 -6.938 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.877 -2.394 -6.661 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.265 -2.248 -5.194 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.838 -3.194 -3.283 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.851 -3.725 -4.611 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.895 -1.090 -3.453 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.925 -0.206 -4.997 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.224 -1.358 -4.606 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.369 -5.535 -3.862 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.972 -5.058 -5.530 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -6.943 -4.520 -4.182 1.00 1.16 H new ATOM 582 N PRO A 37 -9.232 -0.034 -7.632 1.00 0.75 N ATOM 583 CA PRO A 37 -8.822 1.235 -8.160 1.00 0.79 C ATOM 584 C PRO A 37 -8.085 2.087 -7.186 1.00 0.75 C ATOM 585 O PRO A 37 -8.539 2.066 -6.042 1.00 0.75 O ATOM 586 CB PRO A 37 -10.142 1.896 -8.546 1.00 0.95 C ATOM 587 CG PRO A 37 -11.243 0.824 -8.501 1.00 1.02 C ATOM 588 CD PRO A 37 -10.671 -0.225 -7.535 1.00 0.85 C ATOM 0 HA PRO A 37 -8.120 1.106 -8.983 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.375 2.710 -7.860 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.073 2.330 -9.544 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.187 1.231 -8.140 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.434 0.401 -9.487 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.028 -0.069 -6.517 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.961 -1.235 -7.823 1.00 0.85 H new ATOM 596 N PRO A 38 -7.132 2.892 -7.551 1.00 0.81 N ATOM 597 CA PRO A 38 -6.371 3.686 -6.629 1.00 0.85 C ATOM 598 C PRO A 38 -7.125 4.636 -5.764 1.00 0.89 C ATOM 599 O PRO A 38 -6.614 4.921 -4.682 1.00 0.99 O ATOM 600 CB PRO A 38 -5.401 4.465 -7.514 1.00 1.01 C ATOM 601 CG PRO A 38 -5.048 3.338 -8.499 1.00 1.25 C ATOM 602 CD PRO A 38 -6.443 2.781 -8.827 1.00 0.98 C ATOM 0 HA PRO A 38 -5.917 3.012 -5.902 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.865 5.323 -8.000 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.535 4.838 -6.968 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.535 3.712 -9.385 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.400 2.586 -8.049 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.938 3.359 -9.607 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.397 1.749 -9.175 1.00 0.98 H new ATOM 610 N ASP A 39 -8.301 5.014 -6.294 1.00 0.96 N ATOM 611 CA ASP A 39 -9.170 5.912 -5.599 1.00 1.11 C ATOM 612 C ASP A 39 -9.806 5.288 -4.405 1.00 1.00 C ATOM 613 O ASP A 39 -10.216 5.939 -3.444 1.00 1.14 O ATOM 614 CB ASP A 39 -10.259 6.409 -6.564 1.00 1.39 C ATOM 615 CG ASP A 39 -10.977 7.655 -6.065 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.216 8.587 -5.691 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.235 7.722 -6.032 1.00 2.25 O ATOM 0 H ASP A 39 -8.650 4.700 -7.200 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.564 6.744 -5.240 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.808 6.621 -7.533 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.989 5.614 -6.719 1.00 1.39 H new ATOM 622 N GLN A 40 -9.982 3.955 -4.365 1.00 0.87 N ATOM 623 CA GLN A 40 -10.664 3.231 -3.338 1.00 0.84 C ATOM 624 C GLN A 40 -9.753 2.809 -2.237 1.00 0.67 C ATOM 625 O GLN A 40 -10.160 2.623 -1.091 1.00 0.80 O ATOM 626 CB GLN A 40 -11.496 2.016 -3.782 1.00 0.95 C ATOM 627 CG GLN A 40 -12.504 2.158 -4.923 1.00 1.32 C ATOM 628 CD GLN A 40 -13.680 3.092 -4.675 1.00 1.48 C ATOM 629 OE1 GLN A 40 -14.288 2.927 -3.618 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.876 4.163 -5.488 1.00 2.02 N ATOM 0 H GLN A 40 -9.624 3.344 -5.099 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.381 3.973 -2.987 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.796 1.229 -4.063 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.042 1.660 -2.909 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.971 2.507 -5.808 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.897 1.169 -5.157 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.344 4.250 -6.354 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.555 4.880 -5.232 1.00 2.02 H new ATOM 639 N GLN A 41 -8.454 2.877 -2.581 1.00 0.56 N ATOM 640 CA GLN A 41 -7.365 2.489 -1.737 1.00 0.51 C ATOM 641 C GLN A 41 -6.823 3.516 -0.806 1.00 0.49 C ATOM 642 O GLN A 41 -6.393 4.572 -1.267 1.00 0.65 O ATOM 643 CB GLN A 41 -6.144 1.895 -2.460 1.00 0.67 C ATOM 644 CG GLN A 41 -6.413 0.604 -3.234 1.00 0.69 C ATOM 645 CD GLN A 41 -5.162 0.215 -4.008 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.045 0.212 -3.490 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.343 -0.207 -5.288 1.00 0.61 N ATOM 0 H GLN A 41 -8.148 3.219 -3.492 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.891 1.727 -1.162 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.753 2.641 -3.152 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.363 1.703 -1.724 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.693 -0.194 -2.547 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.250 0.744 -3.918 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.276 -0.198 -5.701 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.546 -0.533 -5.835 1.00 0.61 H new ATOM 656 N ARG A 42 -6.700 3.282 0.513 1.00 0.47 N ATOM 657 CA ARG A 42 -5.945 4.023 1.474 1.00 0.55 C ATOM 658 C ARG A 42 -4.949 3.102 2.090 1.00 0.46 C ATOM 659 O ARG A 42 -5.229 1.970 2.480 1.00 0.52 O ATOM 660 CB ARG A 42 -6.838 4.804 2.453 1.00 0.73 C ATOM 661 CG ARG A 42 -7.524 6.062 1.915 1.00 1.04 C ATOM 662 CD ARG A 42 -8.586 6.684 2.824 1.00 1.28 C ATOM 663 NE ARG A 42 -8.827 8.054 2.289 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.874 8.891 2.542 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.948 8.507 3.292 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.776 10.166 2.062 1.00 2.78 N ATOM 0 H ARG A 42 -7.179 2.493 0.947 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.384 4.824 0.993 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.610 4.128 2.820 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.230 5.090 3.311 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.759 6.813 1.716 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.989 5.819 0.959 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.502 6.094 2.815 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.242 6.723 3.858 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.117 8.412 1.651 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.986 7.566 3.684 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.713 9.161 3.460 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.947 10.453 1.542 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.532 10.831 2.224 1.00 2.78 H new ATOM 680 N LEU A 43 -3.652 3.459 2.081 1.00 0.46 N ATOM 681 CA LEU A 43 -2.629 2.580 2.558 1.00 0.42 C ATOM 682 C LEU A 43 -2.082 3.107 3.839 1.00 0.43 C ATOM 683 O LEU A 43 -1.572 4.227 3.838 1.00 0.55 O ATOM 684 CB LEU A 43 -1.471 2.286 1.589 1.00 0.55 C ATOM 685 CG LEU A 43 -1.830 1.573 0.274 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.579 1.561 -0.622 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.373 0.139 0.394 1.00 1.12 C ATOM 0 H LEU A 43 -3.311 4.359 1.743 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.129 1.620 2.685 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.987 3.231 1.342 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.734 1.678 2.115 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.659 2.143 -0.145 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.809 1.060 -1.562 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.267 2.585 -0.824 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.226 1.029 -0.115 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.588 -0.253 -0.600 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.629 -0.492 0.880 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.287 0.145 0.987 1.00 1.12 H new ATOM 699 N ILE A 44 -2.263 2.391 4.962 1.00 0.42 N ATOM 700 CA ILE A 44 -1.858 2.777 6.278 1.00 0.46 C ATOM 701 C ILE A 44 -0.600 2.054 6.619 1.00 0.42 C ATOM 702 O ILE A 44 -0.423 0.857 6.397 1.00 0.53 O ATOM 703 CB ILE A 44 -2.915 2.432 7.283 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.295 2.949 6.840 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.588 3.002 8.673 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.494 4.456 6.690 1.00 1.27 C ATOM 0 H ILE A 44 -2.723 1.481 4.949 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.700 3.855 6.301 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.940 1.344 7.346 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.530 2.486 5.882 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.031 2.587 7.558 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.378 2.730 9.373 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.639 2.593 9.020 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.514 4.088 8.613 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.517 4.658 6.372 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.308 4.945 7.646 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.800 4.842 5.944 1.00 1.27 H new ATOM 718 N PHE A 45 0.365 2.803 7.183 1.00 0.42 N ATOM 719 CA PHE A 45 1.537 2.111 7.620 1.00 0.46 C ATOM 720 C PHE A 45 2.095 2.967 8.705 1.00 0.68 C ATOM 721 O PHE A 45 2.238 4.176 8.533 1.00 1.50 O ATOM 722 CB PHE A 45 2.615 1.949 6.536 1.00 0.56 C ATOM 723 CG PHE A 45 3.861 1.307 7.040 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.928 -0.046 7.278 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.928 2.122 7.336 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.078 -0.618 7.766 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.038 1.501 7.859 1.00 1.33 C ATOM 728 CZ PHE A 45 6.148 0.160 8.141 1.00 1.02 C ATOM 0 H PHE A 45 0.344 3.812 7.330 1.00 0.42 H new ATOM 0 HA PHE A 45 1.265 1.099 7.920 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.212 1.352 5.718 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.859 2.929 6.126 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.066 -0.666 7.079 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.896 3.188 7.168 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.142 -1.692 7.856 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.898 2.121 8.066 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.019 -0.256 8.626 1.00 1.02 H new ATOM 738 N ALA A 46 2.296 2.280 9.844 1.00 0.81 N ATOM 739 CA ALA A 46 2.768 2.830 11.078 1.00 0.96 C ATOM 740 C ALA A 46 1.908 3.920 11.618 1.00 0.97 C ATOM 741 O ALA A 46 2.304 4.970 12.122 1.00 1.21 O ATOM 742 CB ALA A 46 4.258 3.205 11.008 1.00 1.20 C ATOM 0 H ALA A 46 2.118 1.278 9.907 1.00 0.81 H new ATOM 0 HA ALA A 46 2.685 2.031 11.815 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.574 3.618 11.966 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.847 2.315 10.784 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.410 3.947 10.224 1.00 1.20 H new ATOM 748 N GLY A 47 0.601 3.606 11.559 1.00 0.99 N ATOM 749 CA GLY A 47 -0.376 4.591 11.905 1.00 1.10 C ATOM 750 C GLY A 47 -0.537 5.781 11.023 1.00 1.03 C ATOM 751 O GLY A 47 -1.327 6.689 11.277 1.00 1.30 O ATOM 0 H GLY A 47 0.228 2.698 11.280 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.343 4.091 11.965 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.141 4.951 12.907 1.00 1.10 H new ATOM 755 N LYS A 48 0.194 5.896 9.900 1.00 0.98 N ATOM 756 CA LYS A 48 0.188 7.032 9.031 1.00 1.05 C ATOM 757 C LYS A 48 -0.617 6.665 7.832 1.00 0.84 C ATOM 758 O LYS A 48 -0.320 5.719 7.104 1.00 0.81 O ATOM 759 CB LYS A 48 1.549 7.455 8.451 1.00 1.42 C ATOM 760 CG LYS A 48 2.325 8.151 9.571 1.00 1.61 C ATOM 761 CD LYS A 48 3.484 8.937 8.956 1.00 1.87 C ATOM 762 CE LYS A 48 4.297 9.594 10.075 1.00 2.22 C ATOM 763 NZ LYS A 48 5.230 8.730 10.832 1.00 2.55 N ATOM 0 H LYS A 48 0.822 5.158 9.582 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.185 7.851 9.645 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.097 6.587 8.086 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.413 8.126 7.603 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.668 8.821 10.125 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.703 7.416 10.281 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.119 8.273 8.371 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.102 9.696 8.273 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.872 10.411 9.639 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.598 10.038 10.784 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.716 9.295 11.557 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.698 7.963 11.290 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.932 8.324 10.181 1.00 2.55 H new ATOM 777 N GLN A 49 -1.641 7.464 7.481 1.00 0.84 N ATOM 778 CA GLN A 49 -2.181 7.326 6.164 1.00 0.80 C ATOM 779 C GLN A 49 -1.202 7.933 5.219 1.00 0.72 C ATOM 780 O GLN A 49 -0.802 9.092 5.321 1.00 0.83 O ATOM 781 CB GLN A 49 -3.552 8.014 6.054 1.00 1.03 C ATOM 782 CG GLN A 49 -4.282 7.890 4.715 1.00 1.67 C ATOM 783 CD GLN A 49 -5.601 8.635 4.865 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.570 8.064 5.360 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.616 9.970 4.607 1.00 2.48 N ATOM 0 H GLN A 49 -2.077 8.171 8.073 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.339 6.274 5.926 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.199 7.608 6.832 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.418 9.074 6.271 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.686 8.317 3.908 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.455 6.843 4.464 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.798 10.419 4.196 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.445 10.522 4.825 1.00 2.48 H new ATOM 794 N LEU A 50 -0.723 7.131 4.252 1.00 0.69 N ATOM 795 CA LEU A 50 0.249 7.383 3.235 1.00 0.66 C ATOM 796 C LEU A 50 -0.206 8.158 2.046 1.00 0.72 C ATOM 797 O LEU A 50 -1.201 7.770 1.435 1.00 0.90 O ATOM 798 CB LEU A 50 0.951 6.101 2.752 1.00 0.65 C ATOM 799 CG LEU A 50 1.545 5.199 3.847 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.917 3.786 3.364 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.770 5.839 4.521 1.00 0.74 C ATOM 0 H LEU A 50 -1.069 6.174 4.178 1.00 0.69 H new ATOM 0 HA LEU A 50 0.949 8.030 3.764 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.235 5.515 2.176 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.752 6.385 2.070 1.00 0.65 H new ATOM 0 HG LEU A 50 0.739 5.095 4.573 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.329 3.214 4.195 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.026 3.285 2.984 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.660 3.857 2.569 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.156 5.167 5.287 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.543 6.020 3.774 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.480 6.784 4.980 1.00 0.74 H new ATOM 813 N GLU A 51 0.468 9.254 1.655 1.00 0.70 N ATOM 814 CA GLU A 51 0.196 9.997 0.463 1.00 0.76 C ATOM 815 C GLU A 51 0.915 9.563 -0.767 1.00 0.77 C ATOM 816 O GLU A 51 2.108 9.263 -0.788 1.00 1.23 O ATOM 817 CB GLU A 51 0.428 11.501 0.694 1.00 0.88 C ATOM 818 CG GLU A 51 -0.456 11.988 1.843 1.00 1.35 C ATOM 819 CD GLU A 51 0.075 13.362 2.225 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.887 13.969 1.477 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.442 13.923 3.229 1.00 1.89 O ATOM 0 H GLU A 51 1.241 9.641 2.197 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.854 9.785 0.262 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.477 11.686 0.926 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.200 12.058 -0.215 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.500 12.045 1.535 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.410 11.302 2.689 1.00 1.35 H new ATOM 828 N ASP A 52 0.101 9.405 -1.826 1.00 0.66 N ATOM 829 CA ASP A 52 0.357 8.833 -3.112 1.00 0.65 C ATOM 830 C ASP A 52 1.623 9.258 -3.773 1.00 0.60 C ATOM 831 O ASP A 52 2.454 8.391 -4.044 1.00 0.62 O ATOM 832 CB ASP A 52 -0.787 9.023 -4.122 1.00 0.81 C ATOM 833 CG ASP A 52 -2.117 8.609 -3.508 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.572 9.227 -2.509 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.692 7.686 -4.143 1.00 1.44 O ATOM 0 H ASP A 52 -0.866 9.723 -1.767 1.00 0.66 H new ATOM 0 HA ASP A 52 0.452 7.779 -2.850 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.834 10.066 -4.435 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.593 8.430 -5.016 1.00 0.81 H new ATOM 840 N GLY A 53 1.793 10.559 -4.067 1.00 0.68 N ATOM 841 CA GLY A 53 3.015 11.104 -4.570 1.00 0.73 C ATOM 842 C GLY A 53 4.183 11.421 -3.700 1.00 0.72 C ATOM 843 O GLY A 53 5.088 12.138 -4.126 1.00 0.97 O ATOM 0 H GLY A 53 1.056 11.254 -3.951 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.374 10.409 -5.329 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.753 12.029 -5.084 1.00 0.73 H new ATOM 847 N ARG A 54 4.266 10.752 -2.536 1.00 0.64 N ATOM 848 CA ARG A 54 5.436 10.653 -1.720 1.00 0.63 C ATOM 849 C ARG A 54 6.063 9.331 -2.001 1.00 0.59 C ATOM 850 O ARG A 54 5.483 8.433 -2.609 1.00 0.62 O ATOM 851 CB ARG A 54 5.126 10.799 -0.221 1.00 0.69 C ATOM 852 CG ARG A 54 4.444 12.148 0.015 1.00 0.82 C ATOM 853 CD ARG A 54 4.405 12.539 1.495 1.00 1.18 C ATOM 854 NE ARG A 54 3.551 13.759 1.450 1.00 1.50 N ATOM 855 CZ ARG A 54 4.053 14.974 1.080 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.406 15.081 0.943 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.178 15.933 0.659 1.00 2.49 N ATOM 0 H ARG A 54 3.469 10.251 -2.142 1.00 0.64 H new ATOM 0 HA ARG A 54 6.114 11.471 -1.964 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.480 9.987 0.111 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.045 10.734 0.362 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.970 12.920 -0.547 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.426 12.109 -0.373 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.971 11.756 2.116 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.399 12.747 1.892 1.00 1.18 H new ATOM 0 HE ARG A 54 2.565 13.685 1.702 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.002 14.271 1.115 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.822 15.971 0.668 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.178 15.733 0.627 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.524 16.850 0.376 1.00 2.49 H new ATOM 871 N THR A 55 7.325 9.170 -1.567 1.00 0.63 N ATOM 872 CA THR A 55 8.063 7.951 -1.694 1.00 0.61 C ATOM 873 C THR A 55 8.004 6.999 -0.548 1.00 0.59 C ATOM 874 O THR A 55 7.443 7.296 0.506 1.00 0.64 O ATOM 875 CB THR A 55 9.427 8.106 -2.297 1.00 0.68 C ATOM 876 OG1 THR A 55 10.328 8.697 -1.371 1.00 0.75 O ATOM 877 CG2 THR A 55 9.522 8.821 -3.656 1.00 0.76 C ATOM 0 H THR A 55 7.851 9.915 -1.111 1.00 0.63 H new ATOM 0 HA THR A 55 7.476 7.426 -2.448 1.00 0.61 H new ATOM 0 HB THR A 55 9.710 7.078 -2.523 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.211 8.787 -1.786 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.564 8.863 -3.973 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.939 8.274 -4.397 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.130 9.834 -3.562 1.00 0.76 H new ATOM 885 N LEU A 56 8.561 5.804 -0.808 1.00 0.58 N ATOM 886 CA LEU A 56 8.760 4.847 0.237 1.00 0.59 C ATOM 887 C LEU A 56 9.900 5.327 1.069 1.00 0.64 C ATOM 888 O LEU A 56 9.810 5.070 2.268 1.00 0.70 O ATOM 889 CB LEU A 56 9.076 3.432 -0.276 1.00 0.60 C ATOM 890 CG LEU A 56 7.827 2.557 -0.468 1.00 0.63 C ATOM 891 CD1 LEU A 56 6.847 3.142 -1.500 1.00 1.05 C ATOM 892 CD2 LEU A 56 8.135 1.076 -0.748 1.00 1.03 C ATOM 0 H LEU A 56 8.871 5.501 -1.731 1.00 0.58 H new ATOM 0 HA LEU A 56 7.831 4.768 0.802 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.606 3.508 -1.225 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.749 2.941 0.427 1.00 0.60 H new ATOM 0 HG LEU A 56 7.327 2.575 0.500 1.00 0.63 H new ATOM 0 HD11 LEU A 56 5.984 2.484 -1.596 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.517 4.127 -1.171 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.345 3.230 -2.466 1.00 1.05 H new ATOM 0 HD21 LEU A 56 7.201 0.527 -0.871 1.00 1.03 H new ATOM 0 HD22 LEU A 56 8.727 0.994 -1.659 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.695 0.656 0.088 1.00 1.03 H new ATOM 904 N SER A 57 10.930 5.995 0.521 1.00 0.68 N ATOM 905 CA SER A 57 12.119 6.421 1.192 1.00 0.75 C ATOM 906 C SER A 57 11.765 7.577 2.064 1.00 0.76 C ATOM 907 O SER A 57 12.359 7.684 3.135 1.00 0.84 O ATOM 908 CB SER A 57 13.168 6.927 0.189 1.00 0.84 C ATOM 909 OG SER A 57 14.471 7.075 0.734 1.00 1.19 O ATOM 0 H SER A 57 10.931 6.256 -0.465 1.00 0.68 H new ATOM 0 HA SER A 57 12.523 5.578 1.753 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.214 6.234 -0.651 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.841 7.888 -0.208 1.00 0.84 H new ATOM 0 HG SER A 57 15.082 7.398 0.039 1.00 1.19 H new ATOM 915 N ASP A 58 10.840 8.458 1.646 1.00 0.75 N ATOM 916 CA ASP A 58 10.280 9.497 2.454 1.00 0.78 C ATOM 917 C ASP A 58 9.518 8.950 3.611 1.00 0.77 C ATOM 918 O ASP A 58 9.743 9.278 4.776 1.00 0.86 O ATOM 919 CB ASP A 58 9.710 10.538 1.475 1.00 0.83 C ATOM 920 CG ASP A 58 9.761 11.953 2.033 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.204 12.149 3.145 1.00 1.86 O ATOM 922 OD2 ASP A 58 10.476 12.830 1.478 1.00 1.90 O ATOM 0 H ASP A 58 10.464 8.446 0.698 1.00 0.75 H new ATOM 0 HA ASP A 58 10.973 10.086 3.054 1.00 0.78 H new ATOM 0 HB2 ASP A 58 10.271 10.499 0.541 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.678 10.282 1.238 1.00 0.83 H new ATOM 927 N TYR A 59 8.532 8.049 3.447 1.00 0.72 N ATOM 928 CA TYR A 59 7.866 7.502 4.588 1.00 0.73 C ATOM 929 C TYR A 59 8.514 6.506 5.486 1.00 0.76 C ATOM 930 O TYR A 59 8.098 6.209 6.605 1.00 0.89 O ATOM 931 CB TYR A 59 6.490 6.949 4.178 1.00 0.73 C ATOM 932 CG TYR A 59 5.475 8.032 4.054 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.021 8.758 5.130 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.829 8.113 2.843 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.939 9.593 4.974 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.741 8.935 2.658 1.00 0.70 C ATOM 937 CZ TYR A 59 3.370 9.713 3.728 1.00 0.74 C ATOM 938 OH TYR A 59 2.249 10.570 3.703 1.00 0.86 O ATOM 0 H TYR A 59 8.202 7.705 2.545 1.00 0.72 H new ATOM 0 HA TYR A 59 7.857 8.389 5.222 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.578 6.422 3.228 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.156 6.220 4.917 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.510 8.673 6.089 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.184 7.516 2.016 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.544 10.144 5.815 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.206 8.967 1.720 1.00 0.70 H new ATOM 0 HH TYR A 59 2.350 11.261 4.390 1.00 0.86 H new ATOM 948 N ASN A 60 9.695 6.054 5.029 1.00 0.74 N ATOM 949 CA ASN A 60 10.535 5.109 5.698 1.00 0.79 C ATOM 950 C ASN A 60 10.020 3.712 5.746 1.00 0.75 C ATOM 951 O ASN A 60 9.865 3.151 6.829 1.00 0.86 O ATOM 952 CB ASN A 60 11.016 5.530 7.097 1.00 0.95 C ATOM 953 CG ASN A 60 11.436 6.993 7.133 1.00 1.25 C ATOM 954 OD1 ASN A 60 10.813 7.821 7.796 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.549 7.269 6.404 1.00 1.83 N ATOM 0 H ASN A 60 10.086 6.367 4.140 1.00 0.74 H new ATOM 0 HA ASN A 60 11.401 5.114 5.036 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.219 5.363 7.821 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.856 4.903 7.397 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.922 8.218 6.382 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.012 6.527 5.879 1.00 1.83 H new ATOM 962 N ILE A 61 9.764 3.229 4.517 1.00 0.67 N ATOM 963 CA ILE A 61 9.315 1.875 4.416 1.00 0.65 C ATOM 964 C ILE A 61 10.437 1.027 3.922 1.00 0.66 C ATOM 965 O ILE A 61 10.800 1.170 2.756 1.00 0.75 O ATOM 966 CB ILE A 61 8.152 1.846 3.470 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.052 2.777 4.008 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.635 0.424 3.193 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.969 3.052 2.967 1.00 0.82 C ATOM 0 H ILE A 61 9.860 3.740 3.640 1.00 0.67 H new ATOM 0 HA ILE A 61 8.999 1.486 5.384 1.00 0.65 H new ATOM 0 HB ILE A 61 8.486 2.210 2.498 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.599 2.328 4.892 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.499 3.720 4.323 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.794 0.471 2.502 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.433 -0.174 2.753 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.311 -0.034 4.128 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.215 3.714 3.393 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.416 3.526 2.093 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.502 2.113 2.671 1.00 0.82 H new ATOM 981 N GLN A 62 10.980 0.200 4.832 1.00 0.67 N ATOM 982 CA GLN A 62 12.033 -0.700 4.474 1.00 0.70 C ATOM 983 C GLN A 62 11.448 -1.977 3.977 1.00 0.62 C ATOM 984 O GLN A 62 10.245 -2.227 3.905 1.00 0.64 O ATOM 985 CB GLN A 62 12.930 -1.035 5.678 1.00 0.85 C ATOM 986 CG GLN A 62 13.622 0.144 6.364 1.00 1.27 C ATOM 987 CD GLN A 62 14.122 1.101 5.292 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.593 2.196 5.113 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.156 0.680 4.515 1.00 2.16 N ATOM 0 H GLN A 62 10.693 0.153 5.810 1.00 0.67 H new ATOM 0 HA GLN A 62 12.632 -0.210 3.706 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.324 -1.554 6.421 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.697 -1.735 5.347 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.928 0.653 7.033 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.453 -0.208 6.975 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.580 -0.233 4.681 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.507 1.277 3.766 1.00 2.16 H new ATOM 998 N LYS A 63 12.267 -3.001 3.673 1.00 0.64 N ATOM 999 CA LYS A 63 11.953 -4.341 3.285 1.00 0.62 C ATOM 1000 C LYS A 63 11.229 -5.153 4.302 1.00 0.59 C ATOM 1001 O LYS A 63 11.709 -5.156 5.435 1.00 0.66 O ATOM 1002 CB LYS A 63 13.129 -5.154 2.720 1.00 0.74 C ATOM 1003 CG LYS A 63 14.169 -5.686 3.709 1.00 0.89 C ATOM 1004 CD LYS A 63 15.467 -6.177 3.064 1.00 1.11 C ATOM 1005 CE LYS A 63 16.248 -7.118 3.984 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.551 -8.421 4.068 1.00 2.12 N ATOM 0 H LYS A 63 13.278 -2.866 3.705 1.00 0.64 H new ATOM 0 HA LYS A 63 11.258 -4.150 2.467 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.718 -6.005 2.177 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.648 -4.531 1.991 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.409 -4.898 4.423 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.727 -6.506 4.275 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.236 -6.692 2.132 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.091 -5.320 2.809 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.259 -7.259 3.603 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.340 -6.679 4.977 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.221 -9.154 4.378 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.771 -8.354 4.752 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.171 -8.672 3.133 1.00 2.12 H new ATOM 1020 N GLU A 64 10.128 -5.833 3.937 1.00 0.57 N ATOM 1021 CA GLU A 64 9.491 -6.713 4.868 1.00 0.58 C ATOM 1022 C GLU A 64 8.330 -6.072 5.548 1.00 0.56 C ATOM 1023 O GLU A 64 7.549 -6.706 6.256 1.00 0.70 O ATOM 1024 CB GLU A 64 10.315 -7.767 5.626 1.00 0.72 C ATOM 1025 CG GLU A 64 11.380 -8.566 4.872 1.00 0.96 C ATOM 1026 CD GLU A 64 12.254 -9.475 5.724 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.752 -10.389 6.430 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.481 -9.186 5.677 1.00 1.69 O ATOM 0 H GLU A 64 9.686 -5.777 3.019 1.00 0.57 H new ATOM 0 HA GLU A 64 9.058 -7.483 4.229 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.810 -7.262 6.456 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.615 -8.481 6.060 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.883 -9.175 4.117 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.025 -7.865 4.342 1.00 0.96 H new ATOM 1035 N SER A 65 8.120 -4.770 5.287 1.00 0.51 N ATOM 1036 CA SER A 65 7.124 -3.929 5.873 1.00 0.51 C ATOM 1037 C SER A 65 5.715 -4.269 5.528 1.00 0.43 C ATOM 1038 O SER A 65 5.413 -4.313 4.336 1.00 0.50 O ATOM 1039 CB SER A 65 7.304 -2.434 5.560 1.00 0.65 C ATOM 1040 OG SER A 65 8.497 -2.002 6.199 1.00 1.04 O ATOM 0 H SER A 65 8.694 -4.266 4.611 1.00 0.51 H new ATOM 0 HA SER A 65 7.289 -4.124 6.933 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.366 -2.273 4.484 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.449 -1.862 5.919 1.00 0.65 H new ATOM 0 HG SER A 65 9.235 -2.012 5.555 1.00 1.04 H new ATOM 1046 N THR A 66 4.817 -4.543 6.490 1.00 0.45 N ATOM 1047 CA THR A 66 3.478 -4.894 6.128 1.00 0.45 C ATOM 1048 C THR A 66 2.760 -3.588 6.112 1.00 0.43 C ATOM 1049 O THR A 66 2.616 -2.907 7.125 1.00 0.58 O ATOM 1050 CB THR A 66 2.844 -5.911 7.031 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.406 -7.197 6.820 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.396 -6.159 6.575 1.00 0.78 C ATOM 0 H THR A 66 5.008 -4.523 7.492 1.00 0.45 H new ATOM 0 HA THR A 66 3.442 -5.401 5.164 1.00 0.45 H new ATOM 0 HB THR A 66 2.963 -5.533 8.046 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.979 -7.843 7.420 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.930 -6.897 7.228 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.834 -5.226 6.624 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.396 -6.530 5.550 1.00 0.78 H new ATOM 1060 N LEU A 67 2.293 -3.205 4.910 1.00 0.38 N ATOM 1061 CA LEU A 67 1.342 -2.185 4.596 1.00 0.38 C ATOM 1062 C LEU A 67 -0.061 -2.633 4.822 1.00 0.37 C ATOM 1063 O LEU A 67 -0.530 -3.710 4.458 1.00 0.50 O ATOM 1064 CB LEU A 67 1.538 -1.798 3.121 1.00 0.46 C ATOM 1065 CG LEU A 67 2.898 -1.233 2.676 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.688 -0.626 1.277 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.434 -0.114 3.584 1.00 1.31 C ATOM 0 H LEU A 67 2.623 -3.667 4.062 1.00 0.38 H new ATOM 0 HA LEU A 67 1.508 -1.332 5.254 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.336 -2.683 2.518 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.776 -1.060 2.870 1.00 0.46 H new ATOM 0 HG LEU A 67 3.622 -2.047 2.707 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.629 -0.210 0.916 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.347 -1.402 0.591 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.939 0.164 1.332 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.396 0.233 3.205 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.728 0.716 3.594 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.559 -0.496 4.597 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.898 -1.734 5.371 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.264 -2.043 5.658 1.00 0.37 C ATOM 1081 C HIS A 68 -3.254 -1.375 4.767 1.00 0.35 C ATOM 1082 O HIS A 68 -3.357 -0.150 4.735 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.609 -1.658 7.107 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.576 -2.263 8.011 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.479 -1.594 8.516 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.427 -3.568 8.362 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.295 -2.536 9.119 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.243 -3.739 9.051 1.00 1.51 N ATOM 0 H HIS A 68 -0.624 -0.783 5.618 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.342 -3.117 5.490 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.624 -0.574 7.219 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.603 -2.020 7.370 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.131 -4.355 8.135 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.240 -2.324 9.598 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.135 -4.609 9.427 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.037 -2.142 3.987 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.977 -1.733 2.992 1.00 0.38 C ATOM 1098 C LEU A 69 -6.295 -1.375 3.591 1.00 0.41 C ATOM 1099 O LEU A 69 -7.058 -2.221 4.053 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.153 -2.787 1.888 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.036 -2.440 0.677 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.260 -1.441 -0.197 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.289 -3.632 -0.260 1.00 1.14 C ATOM 0 H LEU A 69 -4.005 -3.158 4.065 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.561 -0.838 2.528 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.162 -3.043 1.513 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.562 -3.686 2.350 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.981 -2.077 1.081 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.861 -1.175 -1.066 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.042 -0.544 0.382 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.326 -1.896 -0.527 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.919 -3.314 -1.091 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.338 -4.000 -0.645 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.790 -4.428 0.291 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.683 -0.091 3.482 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.956 0.415 3.892 1.00 0.56 C ATOM 1117 C VAL A 70 -8.725 0.616 2.632 1.00 0.55 C ATOM 1118 O VAL A 70 -8.226 1.242 1.699 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.889 1.652 4.736 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.213 2.406 4.947 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.232 1.341 6.092 1.00 0.97 C ATOM 0 H VAL A 70 -6.078 0.630 3.088 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.446 -0.295 4.559 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.277 2.340 4.153 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.038 3.281 5.573 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.609 2.723 3.982 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.932 1.749 5.436 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.191 2.249 6.693 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.818 0.586 6.616 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.221 0.967 5.929 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.981 0.135 2.663 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.787 0.246 1.486 1.00 0.84 C ATOM 1133 C LEU A 71 -11.939 1.157 1.740 1.00 0.85 C ATOM 1134 O LEU A 71 -12.194 1.506 2.893 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.175 -1.175 1.047 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.002 -1.911 0.376 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.312 -3.354 -0.056 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.579 -1.164 -0.900 1.00 2.78 C ATOM 0 H LEU A 71 -10.425 -0.312 3.465 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.246 0.704 0.658 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.511 -1.743 1.914 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.015 -1.124 0.354 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.224 -1.940 1.138 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.428 -3.793 -0.519 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.595 -3.942 0.817 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.133 -3.351 -0.773 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.748 -1.690 -1.371 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.420 -1.121 -1.592 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.269 -0.151 -0.643 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.634 1.611 0.683 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.797 2.439 0.775 1.00 1.10 C ATOM 1152 C ARG A 72 -14.888 1.485 0.432 1.00 1.35 C ATOM 1153 O ARG A 72 -14.689 0.664 -0.462 1.00 1.56 O ATOM 1154 CB ARG A 72 -13.827 3.695 -0.111 1.00 1.34 C ATOM 1155 CG ARG A 72 -15.158 4.432 -0.270 1.00 1.65 C ATOM 1156 CD ARG A 72 -14.833 5.621 -1.176 1.00 1.99 C ATOM 1157 NE ARG A 72 -15.939 6.619 -1.154 1.00 2.54 N ATOM 1158 CZ ARG A 72 -15.844 7.867 -1.701 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -14.721 8.340 -2.318 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -16.855 8.764 -1.518 1.00 3.75 N ATOM 0 H ARG A 72 -12.374 1.392 -0.279 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.866 2.895 1.763 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -13.100 4.402 0.288 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.482 3.410 -1.105 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -15.917 3.789 -0.716 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -15.546 4.762 0.694 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -13.906 6.091 -0.848 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -14.671 5.273 -2.196 1.00 1.99 H new ATOM 0 HE ARG A 72 -16.816 6.356 -0.705 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -13.892 7.751 -2.389 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -14.712 9.283 -2.708 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -17.677 8.502 -0.975 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -16.789 9.697 -1.924 1.00 3.75 H new ATOM 1174 N LEU A 73 -16.060 1.516 1.092 1.00 1.54 N ATOM 1175 CA LEU A 73 -17.134 0.629 0.770 1.00 1.93 C ATOM 1176 C LEU A 73 -17.994 1.157 -0.327 1.00 2.13 C ATOM 1177 O LEU A 73 -17.825 2.337 -0.632 1.00 2.57 O ATOM 1178 CB LEU A 73 -18.036 0.512 2.010 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.463 -0.009 3.339 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.305 0.576 4.486 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.394 -1.544 3.274 1.00 3.14 C ATOM 0 H LEU A 73 -16.264 2.161 1.855 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.699 -0.320 0.458 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -18.450 1.502 2.203 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.871 -0.136 1.742 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.440 0.317 3.527 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.917 0.220 5.440 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.254 1.664 4.457 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.342 0.259 4.375 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -16.989 -1.930 4.210 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.395 -1.947 3.118 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.749 -1.845 2.448 1.00 3.14 H new ATOM 1193 N ARG A 74 -18.892 0.272 -0.793 1.00 2.32 N ATOM 1194 CA ARG A 74 -19.848 0.814 -1.709 1.00 2.55 C ATOM 1195 C ARG A 74 -20.970 1.571 -1.089 1.00 2.58 C ATOM 1196 O ARG A 74 -22.020 0.991 -0.813 1.00 3.08 O ATOM 1197 CB ARG A 74 -20.445 -0.288 -2.600 1.00 3.29 C ATOM 1198 CG ARG A 74 -19.377 -0.906 -3.504 1.00 4.01 C ATOM 1199 CD ARG A 74 -19.892 -2.162 -4.208 1.00 4.67 C ATOM 1200 NE ARG A 74 -19.570 -3.295 -3.296 1.00 5.36 N ATOM 1201 CZ ARG A 74 -20.046 -4.542 -3.581 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -20.766 -4.863 -4.695 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -19.827 -5.510 -2.644 1.00 6.80 N ATOM 0 H ARG A 74 -18.961 -0.720 -0.567 1.00 2.32 H new ATOM 0 HA ARG A 74 -19.270 1.531 -2.292 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -20.890 -1.063 -1.976 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -21.246 0.128 -3.211 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -19.062 -0.175 -4.248 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -18.498 -1.156 -2.911 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -20.965 -2.098 -4.389 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -19.412 -2.292 -5.178 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.999 -3.140 -2.465 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -20.983 -4.145 -5.386 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -21.087 -5.821 -4.836 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -19.329 -5.283 -1.783 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -20.161 -6.460 -2.805 1.00 6.80 H new ATOM 1217 N GLY A 75 -20.727 2.867 -0.821 1.00 2.73 N ATOM 1218 CA GLY A 75 -21.654 3.619 -0.035 1.00 3.22 C ATOM 1219 C GLY A 75 -21.459 5.095 0.020 1.00 3.16 C ATOM 1220 O GLY A 75 -21.936 5.796 -0.871 1.00 3.57 O ATOM 0 H GLY A 75 -19.908 3.384 -1.140 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -22.656 3.425 -0.417 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -21.621 3.236 0.985 1.00 3.22 H new ATOM 1224 N GLY A 76 -20.764 5.672 1.017 1.00 3.14 N ATOM 1225 CA GLY A 76 -20.538 7.082 1.095 1.00 3.37 C ATOM 1226 C GLY A 76 -19.225 7.497 0.446 1.00 3.48 C ATOM 1227 O GLY A 76 -18.412 6.647 -0.004 1.00 3.87 O ATOM 1228 OXT GLY A 76 -18.864 8.704 0.401 1.00 3.70 O ATOM 0 H GLY A 76 -20.350 5.146 1.787 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -21.361 7.606 0.610 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.536 7.389 2.141 1.00 3.37 H new TER 1232 GLY A 76