USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 178:sc= 0.845 (180deg=-0.151) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.884 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0585) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.18 (180deg=0.894) USER MOD Single : A 2 GLN : amide:sc= -0.0255 K(o=-0.025,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 1.23 (180deg=-0.908!) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.119 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.09 K(o=1.1,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.95 (180deg=0.942) USER MOD Single : A 31 GLN : amide:sc=-0.00297 X(o=-0.003,f=-0.27) 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=-0.054) USER MOD Single : A 41 GLN : amide:sc= 0.0624 K(o=0.062,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.377 K(o=0.38,f=-8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.265 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.600 -7.112 -5.255 1.00 9.67 N ATOM 2 CA MET A 1 11.421 -7.613 -3.802 1.00 10.38 C ATOM 3 C MET A 1 9.997 -7.848 -3.429 1.00 9.62 C ATOM 4 O MET A 1 9.090 -7.402 -4.126 1.00 9.62 O ATOM 5 CB MET A 1 12.172 -6.657 -2.861 1.00 13.77 C ATOM 6 CG MET A 1 11.499 -5.246 -2.764 1.00 16.29 C ATOM 7 SD MET A 1 12.306 -4.157 -1.603 1.00 17.17 S ATOM 8 CE MET A 1 10.965 -2.960 -1.409 1.00 16.11 C ATOM 0 H1 MET A 1 12.548 -6.699 -5.365 1.00 9.67 H new ATOM 0 H2 MET A 1 11.491 -7.910 -5.913 1.00 9.67 H new ATOM 0 H3 MET A 1 10.881 -6.390 -5.464 1.00 9.67 H new ATOM 0 HA MET A 1 11.863 -8.605 -3.705 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.222 -7.099 -1.866 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.198 -6.542 -3.211 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.502 -4.781 -3.750 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.456 -5.368 -2.472 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.328 -2.094 -0.856 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.615 -2.643 -2.392 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.142 -3.421 -0.862 1.00 16.11 H new ATOM 20 N GLN A 2 9.640 -8.560 -2.362 1.00 9.27 N ATOM 21 CA GLN A 2 8.316 -8.610 -1.907 1.00 9.07 C ATOM 22 C GLN A 2 8.098 -7.766 -0.648 1.00 8.72 C ATOM 23 O GLN A 2 9.039 -7.529 0.089 1.00 8.22 O ATOM 24 CB GLN A 2 7.949 -10.048 -1.630 1.00 14.46 C ATOM 25 CG GLN A 2 8.077 -10.967 -2.900 1.00 17.01 C ATOM 26 CD GLN A 2 8.055 -12.416 -2.448 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.054 -12.734 -1.280 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.921 -13.333 -3.440 1.00 19.49 N ATOM 0 H GLN A 2 10.293 -9.112 -1.806 1.00 9.27 H new ATOM 0 HA GLN A 2 7.677 -8.192 -2.685 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.592 -10.436 -0.840 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.925 -10.091 -1.258 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.258 -10.773 -3.592 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.003 -10.750 -3.433 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.926 -13.034 -4.415 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.816 -14.321 -3.210 1.00 19.49 H new ATOM 37 N ILE A 3 6.844 -7.345 -0.426 1.00 5.87 N ATOM 38 CA ILE A 3 6.439 -6.729 0.829 1.00 5.07 C ATOM 39 C ILE A 3 5.090 -7.271 1.248 1.00 4.01 C ATOM 40 O ILE A 3 4.334 -7.903 0.516 1.00 4.61 O ATOM 41 CB ILE A 3 6.237 -5.220 0.729 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.164 -4.816 -0.397 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.633 -4.572 0.487 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.966 -3.336 -0.490 1.00 10.83 C ATOM 0 H ILE A 3 6.093 -7.425 -1.111 1.00 5.87 H new ATOM 0 HA ILE A 3 7.243 -6.953 1.530 1.00 5.07 H new ATOM 0 HB ILE A 3 5.813 -4.842 1.659 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.494 -5.197 -1.363 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.210 -5.294 -0.175 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.524 -3.490 0.411 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.295 -4.812 1.319 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.059 -4.960 -0.438 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.232 -3.115 -1.265 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.609 -2.956 0.467 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.913 -2.857 -0.740 1.00 10.83 H new ATOM 56 N PHE A 4 4.767 -7.032 2.526 1.00 4.55 N ATOM 57 CA PHE A 4 3.557 -7.533 3.110 1.00 4.68 C ATOM 58 C PHE A 4 2.575 -6.513 3.479 1.00 5.30 C ATOM 59 O PHE A 4 2.977 -5.489 3.970 1.00 5.58 O ATOM 60 CB PHE A 4 3.822 -8.370 4.446 1.00 4.83 C ATOM 61 CG PHE A 4 4.632 -9.686 4.239 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.470 -10.510 3.071 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.610 -10.070 5.207 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.342 -11.504 2.820 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.445 -11.171 4.984 1.00 10.61 C ATOM 66 CZ PHE A 4 6.289 -11.892 3.814 1.00 8.90 C ATOM 0 H PHE A 4 5.346 -6.487 3.165 1.00 4.55 H new ATOM 0 HA PHE A 4 3.157 -8.151 2.306 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.357 -7.738 5.155 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.863 -8.617 4.900 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.647 -10.331 2.395 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.706 -9.504 6.122 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.325 -12.008 1.865 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.194 -11.451 5.709 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.898 -12.769 3.649 1.00 8.90 H new ATOM 76 N VAL A 5 1.273 -6.629 3.164 1.00 4.44 N ATOM 77 CA VAL A 5 0.253 -5.594 3.431 1.00 3.87 C ATOM 78 C VAL A 5 -0.730 -6.426 4.192 1.00 4.93 C ATOM 79 O VAL A 5 -1.170 -7.498 3.773 1.00 6.84 O ATOM 80 CB VAL A 5 -0.287 -4.855 2.259 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.371 -3.921 2.682 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.856 -4.056 1.576 1.00 9.13 C ATOM 0 H VAL A 5 0.891 -7.458 2.709 1.00 4.44 H new ATOM 0 HA VAL A 5 0.633 -4.720 3.960 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.703 -5.574 1.553 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.754 -3.389 1.811 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.179 -4.487 3.145 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.973 -3.203 3.399 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.459 -3.515 0.717 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.280 -3.347 2.287 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.633 -4.744 1.243 1.00 9.13 H new ATOM 92 N LYS A 6 -1.108 -5.993 5.430 1.00 6.04 N ATOM 93 CA LYS A 6 -2.173 -6.640 6.196 1.00 6.12 C ATOM 94 C LYS A 6 -3.463 -5.786 6.065 1.00 6.57 C ATOM 95 O LYS A 6 -3.444 -4.556 6.131 1.00 5.76 O ATOM 96 CB LYS A 6 -1.795 -6.837 7.671 1.00 7.45 C ATOM 97 CG LYS A 6 -0.675 -7.767 7.820 1.00 11.12 C ATOM 98 CD LYS A 6 -0.393 -7.906 9.336 1.00 14.54 C ATOM 99 CE LYS A 6 0.678 -8.941 9.619 1.00 18.84 C ATOM 100 NZ LYS A 6 0.151 -10.229 9.406 1.00 20.55 N ATOM 0 H LYS A 6 -0.680 -5.197 5.904 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.339 -7.637 5.789 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.531 -5.875 8.111 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.657 -7.214 8.221 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.919 -8.736 7.384 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.206 -7.395 7.297 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.081 -6.942 9.737 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.312 -8.184 9.852 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.539 -8.776 8.971 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.030 -8.845 10.646 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.894 -10.939 9.567 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.636 -10.396 10.065 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.195 -10.305 8.428 1.00 20.55 H new ATOM 114 N THR A 7 -4.646 -6.406 6.066 1.00 7.41 N ATOM 115 CA THR A 7 -5.940 -5.678 5.938 1.00 7.48 C ATOM 116 C THR A 7 -6.570 -5.505 7.257 1.00 8.75 C ATOM 117 O THR A 7 -6.105 -5.946 8.288 1.00 8.58 O ATOM 118 CB THR A 7 -6.981 -6.470 5.079 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.443 -7.675 5.653 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.367 -6.858 3.741 1.00 9.17 C ATOM 0 H THR A 7 -4.749 -7.417 6.154 1.00 7.41 H new ATOM 0 HA THR A 7 -5.696 -4.725 5.468 1.00 7.48 H new ATOM 0 HB THR A 7 -7.825 -5.785 4.992 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.088 -8.099 5.049 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.099 -7.409 3.151 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.070 -5.958 3.203 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.492 -7.485 3.911 1.00 9.17 H new ATOM 128 N LEU A 8 -7.678 -4.717 7.295 1.00 9.84 N ATOM 129 CA LEU A 8 -8.542 -4.509 8.560 1.00 14.15 C ATOM 130 C LEU A 8 -9.010 -5.799 9.156 1.00 17.37 C ATOM 131 O LEU A 8 -8.927 -5.965 10.370 1.00 17.01 O ATOM 132 CB LEU A 8 -9.692 -3.682 8.116 1.00 16.63 C ATOM 133 CG LEU A 8 -9.402 -2.179 7.868 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.487 -1.646 6.916 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.385 -1.416 9.187 1.00 18.59 C ATOM 0 H LEU A 8 -8.019 -4.203 6.483 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.963 -4.027 9.348 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.086 -4.111 7.195 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.479 -3.759 8.866 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.420 -2.043 7.415 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.312 -0.588 6.720 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.451 -2.199 5.978 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.468 -1.773 7.375 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.180 -0.363 8.995 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.354 -1.514 9.677 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.609 -1.825 9.834 1.00 18.59 H new ATOM 147 N THR A 9 -9.421 -6.768 8.349 1.00 18.33 N ATOM 148 CA THR A 9 -9.995 -7.994 8.846 1.00 19.24 C ATOM 149 C THR A 9 -8.948 -9.123 8.985 1.00 19.48 C ATOM 150 O THR A 9 -9.316 -10.297 9.203 1.00 23.14 O ATOM 151 CB THR A 9 -11.129 -8.585 7.999 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.837 -8.741 6.627 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.324 -7.514 8.118 1.00 19.70 C ATOM 0 H THR A 9 -9.362 -6.718 7.332 1.00 18.33 H new ATOM 0 HA THR A 9 -10.396 -7.677 9.809 1.00 19.24 H new ATOM 0 HB THR A 9 -11.346 -9.587 8.368 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.614 -9.124 6.169 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.181 -7.859 7.539 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.613 -7.406 9.163 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.989 -6.551 7.732 1.00 19.70 H new ATOM 161 N GLY A 10 -7.650 -8.755 8.790 1.00 19.43 N ATOM 162 CA GLY A 10 -6.552 -9.585 9.211 1.00 18.74 C ATOM 163 C GLY A 10 -5.985 -10.498 8.107 1.00 17.62 C ATOM 164 O GLY A 10 -5.014 -11.252 8.354 1.00 19.74 O ATOM 0 H GLY A 10 -7.369 -7.883 8.341 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.752 -8.946 9.584 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.880 -10.205 10.045 1.00 18.74 H new ATOM 168 N LYS A 11 -6.434 -10.466 6.858 1.00 13.56 N ATOM 169 CA LYS A 11 -5.710 -11.098 5.804 1.00 11.91 C ATOM 170 C LYS A 11 -4.306 -10.443 5.578 1.00 10.18 C ATOM 171 O LYS A 11 -4.157 -9.278 5.781 1.00 9.10 O ATOM 172 CB LYS A 11 -6.443 -11.000 4.414 1.00 13.43 C ATOM 173 CG LYS A 11 -5.869 -11.876 3.274 1.00 16.69 C ATOM 174 CD LYS A 11 -6.561 -11.790 1.855 1.00 17.92 C ATOM 175 CE LYS A 11 -8.084 -12.010 1.868 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.496 -11.979 0.518 1.00 21.93 N ATOM 0 H LYS A 11 -7.297 -10.005 6.568 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.624 -12.135 6.128 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.489 -11.269 4.559 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.424 -9.960 4.089 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.818 -11.616 3.150 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.904 -12.915 3.601 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.353 -10.811 1.423 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.106 -12.532 1.198 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.336 -12.964 2.330 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.585 -11.234 2.446 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.206 -12.721 0.355 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.911 -11.050 0.303 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.675 -12.143 -0.099 1.00 21.93 H new ATOM 190 N THR A 12 -3.286 -11.257 5.238 1.00 9.63 N ATOM 191 CA THR A 12 -1.933 -10.792 5.013 1.00 9.85 C ATOM 192 C THR A 12 -1.656 -11.012 3.581 1.00 11.66 C ATOM 193 O THR A 12 -1.752 -12.136 3.140 1.00 12.33 O ATOM 194 CB THR A 12 -0.884 -11.517 5.842 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.095 -11.375 7.243 1.00 10.91 O ATOM 196 CG2 THR A 12 0.475 -10.851 5.587 1.00 9.63 C ATOM 0 H THR A 12 -3.396 -12.263 5.115 1.00 9.63 H new ATOM 0 HA THR A 12 -1.870 -9.746 5.312 1.00 9.85 H new ATOM 0 HB THR A 12 -0.934 -12.568 5.558 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.621 -12.088 7.719 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.243 -11.356 6.173 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.722 -10.921 4.528 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.427 -9.802 5.879 1.00 9.63 H new ATOM 204 N ILE A 13 -1.484 -9.985 2.781 1.00 10.42 N ATOM 205 CA ILE A 13 -1.266 -10.062 1.339 1.00 11.84 C ATOM 206 C ILE A 13 0.171 -9.741 0.946 1.00 10.55 C ATOM 207 O ILE A 13 0.695 -8.723 1.320 1.00 11.92 O ATOM 208 CB ILE A 13 -2.249 -9.250 0.496 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.221 -7.704 0.615 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.676 -9.781 0.763 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.057 -6.893 -0.383 1.00 16.46 C ATOM 0 H ILE A 13 -1.491 -9.025 3.125 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.464 -11.108 1.105 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.914 -9.406 -0.529 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.550 -7.440 1.620 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.184 -7.380 0.524 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.392 -9.213 0.169 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.730 -10.834 0.487 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.913 -9.671 1.821 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.938 -5.829 -0.177 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.720 -7.106 -1.398 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.108 -7.167 -0.285 1.00 16.46 H new ATOM 223 N THR A 14 0.822 -10.646 0.103 1.00 9.39 N ATOM 224 CA THR A 14 2.164 -10.492 -0.394 1.00 9.63 C ATOM 225 C THR A 14 2.180 -9.793 -1.717 1.00 11.20 C ATOM 226 O THR A 14 1.776 -10.410 -2.755 1.00 11.63 O ATOM 227 CB THR A 14 2.767 -11.858 -0.621 1.00 10.38 C ATOM 228 OG1 THR A 14 2.831 -12.611 0.578 1.00 16.30 O ATOM 229 CG2 THR A 14 4.222 -11.699 -1.115 1.00 11.66 C ATOM 0 H THR A 14 0.374 -11.502 -0.225 1.00 9.39 H new ATOM 0 HA THR A 14 2.721 -9.911 0.341 1.00 9.63 H new ATOM 0 HB THR A 14 2.136 -12.369 -1.348 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.488 -12.207 1.183 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.660 -12.683 -1.280 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.230 -11.137 -2.049 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.804 -11.164 -0.365 1.00 11.66 H new ATOM 237 N LEU A 15 2.775 -8.590 -1.799 1.00 8.29 N ATOM 238 CA LEU A 15 2.816 -7.887 -3.111 1.00 9.03 C ATOM 239 C LEU A 15 4.210 -7.818 -3.664 1.00 8.59 C ATOM 240 O LEU A 15 5.163 -7.740 -2.915 1.00 7.79 O ATOM 241 CB LEU A 15 2.268 -6.468 -2.857 1.00 11.08 C ATOM 242 CG LEU A 15 0.933 -6.491 -2.164 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.413 -5.033 -1.942 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.099 -7.205 -3.063 1.00 15.27 C ATOM 0 H LEU A 15 3.215 -8.098 -1.022 1.00 8.29 H new ATOM 0 HA LEU A 15 2.221 -8.425 -3.849 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.980 -5.908 -2.251 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.174 -5.941 -3.807 1.00 11.08 H new ATOM 0 HG LEU A 15 1.053 -7.005 -1.210 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.554 -5.064 -1.440 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.124 -4.483 -1.326 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.305 -4.534 -2.905 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.067 -7.223 -2.562 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.189 -6.671 -4.009 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.230 -8.227 -3.254 1.00 15.27 H new ATOM 256 N GLU A 16 4.348 -7.937 -5.010 1.00 11.04 N ATOM 257 CA GLU A 16 5.599 -7.934 -5.709 1.00 11.50 C ATOM 258 C GLU A 16 5.971 -6.575 -6.161 1.00 10.13 C ATOM 259 O GLU A 16 5.408 -6.009 -7.107 1.00 9.83 O ATOM 260 CB GLU A 16 5.672 -9.021 -6.732 1.00 17.22 C ATOM 261 CG GLU A 16 7.018 -9.122 -7.515 1.00 23.33 C ATOM 262 CD GLU A 16 6.892 -10.002 -8.725 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.502 -9.466 -9.766 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.144 -11.243 -8.698 1.00 28.90 O ATOM 0 H GLU A 16 3.547 -8.040 -5.633 1.00 11.04 H new ATOM 0 HA GLU A 16 6.394 -8.196 -5.011 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.488 -9.974 -6.237 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.865 -8.874 -7.450 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.336 -8.126 -7.821 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.793 -9.516 -6.857 1.00 23.33 H new ATOM 271 N VAL A 17 7.013 -5.955 -5.535 1.00 8.99 N ATOM 272 CA VAL A 17 7.336 -4.550 -5.711 1.00 8.85 C ATOM 273 C VAL A 17 8.772 -4.302 -6.049 1.00 8.04 C ATOM 274 O VAL A 17 9.580 -5.235 -5.912 1.00 8.99 O ATOM 275 CB VAL A 17 7.026 -3.675 -4.544 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.457 -3.715 -4.404 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.669 -4.244 -3.233 1.00 10.54 C ATOM 0 H VAL A 17 7.642 -6.439 -4.895 1.00 8.99 H new ATOM 0 HA VAL A 17 6.685 -4.286 -6.544 1.00 8.85 H new ATOM 0 HB VAL A 17 7.416 -2.668 -4.691 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.151 -3.093 -3.563 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.000 -3.339 -5.319 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.133 -4.742 -4.232 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.429 -3.589 -2.396 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.275 -5.241 -3.038 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.751 -4.298 -3.352 1.00 10.54 H new ATOM 287 N GLU A 18 9.129 -3.058 -6.403 1.00 7.29 N ATOM 288 CA GLU A 18 10.498 -2.627 -6.423 1.00 7.08 C ATOM 289 C GLU A 18 10.614 -1.414 -5.526 1.00 6.45 C ATOM 290 O GLU A 18 9.649 -0.684 -5.552 1.00 5.28 O ATOM 291 CB GLU A 18 10.975 -2.147 -7.833 1.00 10.28 C ATOM 292 CG GLU A 18 10.904 -3.320 -8.887 1.00 12.65 C ATOM 293 CD GLU A 18 11.757 -4.560 -8.586 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.919 -4.396 -8.150 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.298 -5.720 -8.753 1.00 14.33 O ATOM 0 H GLU A 18 8.462 -2.337 -6.680 1.00 7.29 H new ATOM 0 HA GLU A 18 11.102 -3.480 -6.112 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.354 -1.316 -8.167 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.997 -1.775 -7.767 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.864 -3.634 -8.979 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.205 -2.926 -9.858 1.00 12.65 H new ATOM 302 N PRO A 19 11.584 -1.095 -4.638 1.00 7.24 N ATOM 303 CA PRO A 19 11.690 0.125 -3.806 1.00 7.07 C ATOM 304 C PRO A 19 11.508 1.433 -4.533 1.00 6.65 C ATOM 305 O PRO A 19 11.138 2.432 -3.984 1.00 6.37 O ATOM 306 CB PRO A 19 13.097 -0.075 -3.192 1.00 7.61 C ATOM 307 CG PRO A 19 13.863 -0.933 -4.249 1.00 8.16 C ATOM 308 CD PRO A 19 12.822 -1.884 -4.770 1.00 7.49 C ATOM 0 HA PRO A 19 10.885 0.221 -3.078 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.594 0.879 -3.019 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.042 -0.585 -2.230 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.271 -0.312 -5.047 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.701 -1.466 -3.799 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.014 -2.171 -5.804 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.783 -2.804 -4.186 1.00 7.49 H new ATOM 316 N SER A 20 11.975 1.520 -5.809 1.00 6.80 N ATOM 317 CA SER A 20 12.049 2.690 -6.648 1.00 6.28 C ATOM 318 C SER A 20 10.712 3.042 -7.241 1.00 8.45 C ATOM 319 O SER A 20 10.484 4.194 -7.586 1.00 7.26 O ATOM 320 CB SER A 20 13.068 2.426 -7.759 1.00 8.57 C ATOM 321 OG SER A 20 12.845 1.161 -8.400 1.00 11.13 O ATOM 0 H SER A 20 12.331 0.694 -6.290 1.00 6.80 H new ATOM 0 HA SER A 20 12.359 3.539 -6.039 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.012 3.223 -8.500 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.075 2.449 -7.341 1.00 8.57 H new ATOM 0 HG SER A 20 13.514 1.029 -9.104 1.00 11.13 H new ATOM 327 N ASP A 21 9.855 2.064 -7.479 1.00 7.50 N ATOM 328 CA ASP A 21 8.482 2.244 -7.968 1.00 7.70 C ATOM 329 C ASP A 21 7.538 2.893 -6.887 1.00 7.08 C ATOM 330 O ASP A 21 7.778 2.906 -5.664 1.00 8.11 O ATOM 331 CB ASP A 21 7.966 0.864 -8.430 1.00 11.00 C ATOM 332 CG ASP A 21 6.742 0.916 -9.247 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.391 1.981 -9.811 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.148 -0.197 -9.394 1.00 18.03 O ATOM 0 H ASP A 21 10.097 1.084 -7.334 1.00 7.50 H new ATOM 0 HA ASP A 21 8.480 2.945 -8.803 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.750 0.369 -9.003 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.776 0.248 -7.551 1.00 11.00 H new ATOM 339 N THR A 22 6.436 3.487 -7.353 1.00 5.37 N ATOM 340 CA THR A 22 5.499 4.394 -6.672 1.00 6.01 C ATOM 341 C THR A 22 4.492 3.628 -5.818 1.00 8.01 C ATOM 342 O THR A 22 4.178 2.463 -6.038 1.00 8.11 O ATOM 343 CB THR A 22 4.704 5.399 -7.633 1.00 8.92 C ATOM 344 OG1 THR A 22 3.710 4.737 -8.406 1.00 10.22 O ATOM 345 CG2 THR A 22 5.700 6.061 -8.574 1.00 9.65 C ATOM 0 H THR A 22 6.145 3.330 -8.318 1.00 5.37 H new ATOM 0 HA THR A 22 6.146 5.006 -6.044 1.00 6.01 H new ATOM 0 HB THR A 22 4.199 6.134 -7.006 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.250 5.389 -8.975 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.174 6.749 -9.236 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.440 6.611 -7.992 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.201 5.298 -9.169 1.00 9.65 H new ATOM 353 N ILE A 23 3.894 4.361 -4.797 1.00 8.32 N ATOM 354 CA ILE A 23 2.855 3.892 -3.918 1.00 9.92 C ATOM 355 C ILE A 23 1.579 3.576 -4.563 1.00 10.01 C ATOM 356 O ILE A 23 0.927 2.570 -4.240 1.00 8.71 O ATOM 357 CB ILE A 23 2.680 4.960 -2.798 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.960 5.113 -1.983 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.503 4.626 -1.907 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.312 3.845 -1.183 1.00 12.30 C ATOM 0 H ILE A 23 4.167 5.323 -4.597 1.00 8.32 H new ATOM 0 HA ILE A 23 3.172 2.930 -3.516 1.00 9.92 H new ATOM 0 HB ILE A 23 2.473 5.917 -3.277 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.785 5.356 -2.653 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.850 5.952 -1.296 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.404 5.388 -1.134 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.592 4.595 -2.504 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.664 3.654 -1.440 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.232 4.012 -0.622 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.502 3.615 -0.491 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.452 3.009 -1.869 1.00 12.30 H new ATOM 372 N GLU A 24 1.217 4.392 -5.551 1.00 9.54 N ATOM 373 CA GLU A 24 0.067 4.046 -6.360 1.00 11.81 C ATOM 374 C GLU A 24 0.197 2.752 -7.175 1.00 11.14 C ATOM 375 O GLU A 24 -0.786 2.033 -7.358 1.00 10.62 O ATOM 376 CB GLU A 24 -0.289 5.226 -7.232 1.00 19.24 C ATOM 377 CG GLU A 24 -1.785 5.299 -7.793 1.00 27.76 C ATOM 378 CD GLU A 24 -2.173 6.626 -8.241 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.342 7.350 -8.839 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.345 6.984 -8.080 1.00 34.80 O ATOM 0 H GLU A 24 1.687 5.263 -5.799 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.744 3.822 -5.667 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.097 6.136 -6.663 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.391 5.233 -8.084 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.888 4.600 -8.623 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.473 4.972 -7.013 1.00 27.76 H new ATOM 387 N ASN A 25 1.408 2.431 -7.654 1.00 9.43 N ATOM 388 CA ASN A 25 1.565 1.099 -8.304 1.00 10.96 C ATOM 389 C ASN A 25 1.406 -0.059 -7.370 1.00 9.68 C ATOM 390 O ASN A 25 0.991 -1.128 -7.761 1.00 9.33 O ATOM 391 CB ASN A 25 2.833 1.007 -9.165 1.00 16.78 C ATOM 392 CG ASN A 25 2.720 0.089 -10.363 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.650 -0.107 -10.910 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.796 -0.578 -10.805 1.00 24.70 N ATOM 0 H ASN A 25 2.242 3.017 -7.616 1.00 9.43 H new ATOM 0 HA ASN A 25 0.722 1.017 -8.990 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.092 2.007 -9.514 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.657 0.665 -8.539 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.707 -1.232 -11.583 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.704 -0.431 -10.364 1.00 24.70 H new ATOM 401 N VAL A 26 1.684 0.170 -6.063 1.00 6.52 N ATOM 402 CA VAL A 26 1.212 -0.806 -5.098 1.00 5.53 C ATOM 403 C VAL A 26 -0.342 -0.997 -5.135 1.00 4.42 C ATOM 404 O VAL A 26 -0.831 -2.127 -5.217 1.00 3.40 O ATOM 405 CB VAL A 26 1.742 -0.565 -3.684 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.630 -1.877 -2.980 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.191 -0.133 -3.698 1.00 8.12 C ATOM 0 H VAL A 26 2.197 0.968 -5.688 1.00 6.52 H new ATOM 0 HA VAL A 26 1.642 -1.756 -5.415 1.00 5.53 H new ATOM 0 HB VAL A 26 1.175 0.228 -3.196 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.994 -1.774 -1.958 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.587 -2.193 -2.963 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.227 -2.623 -3.504 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.532 0.029 -2.676 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.798 -0.909 -4.165 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.289 0.793 -4.264 1.00 8.12 H new ATOM 417 N LYS A 27 -1.056 0.117 -5.036 1.00 2.64 N ATOM 418 CA LYS A 27 -2.505 0.185 -5.101 1.00 4.14 C ATOM 419 C LYS A 27 -3.046 -0.488 -6.365 1.00 5.58 C ATOM 420 O LYS A 27 -4.150 -1.002 -6.262 1.00 4.11 O ATOM 421 CB LYS A 27 -3.014 1.558 -4.985 1.00 3.97 C ATOM 422 CG LYS A 27 -2.617 2.394 -3.723 1.00 7.45 C ATOM 423 CD LYS A 27 -3.232 3.747 -3.725 1.00 9.02 C ATOM 424 CE LYS A 27 -3.225 4.464 -2.391 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.918 5.685 -2.545 1.00 15.47 N ATOM 0 H LYS A 27 -0.623 1.031 -4.903 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.872 -0.367 -4.236 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.110 -5.866 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.102 1.513 -5.025 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.925 1.859 -2.824 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.532 2.491 -3.681 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.708 4.365 -4.454 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.264 3.658 -4.066 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.701 3.850 -1.626 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.202 4.646 -2.062 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.164 6.065 -1.609 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.314 6.366 -3.048 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.788 5.524 -3.092 1.00 15.47 H new ATOM 439 N ALA A 28 -2.351 -0.415 -7.554 1.00 6.61 N ATOM 440 CA ALA A 28 -2.680 -1.129 -8.753 1.00 7.74 C ATOM 441 C ALA A 28 -2.469 -2.661 -8.548 1.00 9.17 C ATOM 442 O ALA A 28 -3.302 -3.492 -8.891 1.00 11.45 O ATOM 443 CB ALA A 28 -1.690 -0.561 -9.804 1.00 7.68 C ATOM 0 H ALA A 28 -1.526 0.174 -7.662 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.720 -1.007 -9.054 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.861 -1.047 -10.765 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.846 0.513 -9.907 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.667 -0.750 -9.479 1.00 7.68 H new ATOM 449 N LYS A 29 -1.337 -3.081 -7.971 1.00 8.96 N ATOM 450 CA LYS A 29 -1.118 -4.542 -7.588 1.00 7.90 C ATOM 451 C LYS A 29 -2.161 -5.101 -6.557 1.00 6.92 C ATOM 452 O LYS A 29 -2.544 -6.297 -6.607 1.00 6.87 O ATOM 453 CB LYS A 29 0.336 -4.785 -7.064 1.00 10.28 C ATOM 454 CG LYS A 29 1.268 -4.693 -8.268 1.00 14.94 C ATOM 455 CD LYS A 29 2.653 -4.088 -7.792 1.00 19.69 C ATOM 456 CE LYS A 29 3.721 -3.731 -8.951 1.00 22.63 C ATOM 457 NZ LYS A 29 4.117 -5.026 -9.463 1.00 24.98 N ATOM 0 H LYS A 29 -0.553 -2.468 -7.749 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.269 -5.099 -8.513 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.604 -4.043 -6.312 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.416 -5.763 -6.589 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.417 -5.680 -8.707 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.826 -4.064 -9.041 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.451 -3.181 -7.223 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.118 -4.797 -7.107 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.275 -3.112 -9.729 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.573 -3.180 -8.554 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.788 -4.899 -10.248 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.571 -5.575 -8.705 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.277 -5.536 -9.805 1.00 24.98 H new ATOM 471 N ILE A 30 -2.625 -4.245 -5.546 1.00 4.57 N ATOM 472 CA ILE A 30 -3.773 -4.605 -4.675 1.00 5.58 C ATOM 473 C ILE A 30 -5.054 -4.728 -5.454 1.00 7.26 C ATOM 474 O ILE A 30 -5.814 -5.680 -5.151 1.00 9.46 O ATOM 475 CB ILE A 30 -3.952 -3.565 -3.540 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.830 -3.763 -2.507 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.320 -3.646 -2.779 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.767 -2.646 -1.377 1.00 2.00 C ATOM 0 H ILE A 30 -2.215 -3.334 -5.342 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.546 -5.578 -4.240 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.920 -2.590 -4.026 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.959 -4.735 -2.032 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.873 -3.788 -3.029 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.351 -2.880 -2.004 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.137 -3.485 -3.482 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.424 -4.630 -2.321 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.947 -2.866 -0.693 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.604 -1.671 -1.837 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.707 -2.634 -0.825 1.00 2.00 H new ATOM 490 N GLN A 31 -5.357 -3.774 -6.353 1.00 7.06 N ATOM 491 CA GLN A 31 -6.521 -3.836 -7.268 1.00 8.67 C ATOM 492 C GLN A 31 -6.538 -5.133 -8.151 1.00 10.90 C ATOM 493 O GLN A 31 -7.585 -5.763 -8.334 1.00 9.63 O ATOM 494 CB GLN A 31 -6.567 -2.597 -8.184 1.00 9.12 C ATOM 495 CG GLN A 31 -7.837 -2.569 -8.940 1.00 10.76 C ATOM 496 CD GLN A 31 -7.965 -1.270 -9.805 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.012 -0.630 -10.208 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.237 -0.908 -10.090 1.00 14.76 N ATOM 0 H GLN A 31 -4.798 -2.929 -6.469 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.404 -3.859 -6.629 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.471 -1.690 -7.587 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.724 -2.615 -8.875 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.895 -3.445 -9.587 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.675 -2.629 -8.246 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.016 -1.464 -9.738 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.417 -0.079 -10.657 1.00 14.76 H new ATOM 507 N ASP A 32 -5.352 -5.542 -8.660 1.00 10.93 N ATOM 508 CA ASP A 32 -5.208 -6.779 -9.265 1.00 14.01 C ATOM 509 C ASP A 32 -5.437 -8.084 -8.357 1.00 14.04 C ATOM 510 O ASP A 32 -6.022 -9.065 -8.801 1.00 13.39 O ATOM 511 CB ASP A 32 -3.852 -6.726 -10.025 1.00 18.01 C ATOM 512 CG ASP A 32 -3.658 -7.910 -10.967 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.501 -8.098 -11.884 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.711 -8.721 -10.761 1.00 25.17 O ATOM 0 H ASP A 32 -4.499 -4.983 -8.636 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.042 -6.932 -9.950 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.797 -5.800 -10.597 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.036 -6.704 -9.303 1.00 18.01 H new ATOM 519 N LYS A 33 -5.073 -8.044 -7.053 1.00 14.22 N ATOM 520 CA LYS A 33 -5.237 -9.159 -6.172 1.00 14.00 C ATOM 521 C LYS A 33 -6.659 -9.205 -5.495 1.00 12.37 C ATOM 522 O LYS A 33 -7.295 -10.252 -5.485 1.00 12.17 O ATOM 523 CB LYS A 33 -4.081 -9.245 -5.112 1.00 18.62 C ATOM 524 CG LYS A 33 -4.151 -10.431 -4.159 1.00 24.00 C ATOM 525 CD LYS A 33 -2.970 -10.441 -3.169 1.00 27.61 C ATOM 526 CE LYS A 33 -1.548 -10.792 -3.662 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.381 -12.135 -4.200 1.00 30.06 N ATOM 0 H LYS A 33 -4.660 -7.224 -6.610 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.171 -10.049 -6.797 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.129 -9.282 -5.641 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.083 -8.328 -4.523 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.089 -10.397 -3.605 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.153 -11.358 -4.732 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.920 -9.451 -2.715 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.220 -11.144 -2.374 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.262 -10.074 -4.431 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.853 -10.664 -2.832 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.395 -12.268 -4.501 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.617 -12.834 -3.467 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.013 -12.263 -5.016 1.00 30.06 H new ATOM 541 N GLU A 34 -7.078 -8.090 -4.878 1.00 10.11 N ATOM 542 CA GLU A 34 -8.197 -8.059 -3.990 1.00 10.07 C ATOM 543 C GLU A 34 -9.379 -7.253 -4.427 1.00 9.32 C ATOM 544 O GLU A 34 -10.436 -7.204 -3.772 1.00 11.61 O ATOM 545 CB GLU A 34 -7.815 -7.437 -2.619 1.00 14.77 C ATOM 546 CG GLU A 34 -6.778 -8.381 -1.929 1.00 18.75 C ATOM 547 CD GLU A 34 -7.407 -9.694 -1.284 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.467 -9.567 -0.615 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.849 -10.812 -1.397 1.00 25.19 O ATOM 0 H GLU A 34 -6.627 -7.183 -4.999 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.472 -9.113 -3.954 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.391 -6.442 -2.757 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.700 -7.322 -1.993 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.029 -8.676 -2.664 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.259 -7.822 -1.151 1.00 18.75 H new ATOM 556 N GLY A 35 -9.230 -6.622 -5.650 1.00 7.22 N ATOM 557 CA GLY A 35 -10.366 -5.934 -6.335 1.00 6.29 C ATOM 558 C GLY A 35 -10.768 -4.598 -5.911 1.00 6.93 C ATOM 559 O GLY A 35 -11.787 -4.137 -6.367 1.00 7.41 O ATOM 0 H GLY A 35 -8.349 -6.583 -6.162 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.120 -5.878 -7.395 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.239 -6.580 -6.244 1.00 6.29 H new ATOM 563 N ILE A 36 -10.019 -3.988 -4.986 1.00 5.86 N ATOM 564 CA ILE A 36 -10.300 -2.687 -4.417 1.00 6.07 C ATOM 565 C ILE A 36 -9.780 -1.578 -5.270 1.00 6.36 C ATOM 566 O ILE A 36 -8.593 -1.513 -5.502 1.00 6.18 O ATOM 567 CB ILE A 36 -9.557 -2.580 -3.049 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.593 -3.880 -2.170 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.169 -1.369 -2.359 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.737 -3.666 -0.922 1.00 9.49 C ATOM 0 H ILE A 36 -9.172 -4.411 -4.606 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.382 -2.594 -4.324 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.486 -2.460 -3.211 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.619 -4.113 -1.886 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.219 -4.730 -2.741 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.697 -1.227 -1.387 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.010 -0.482 -2.972 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.239 -1.530 -2.223 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.758 -4.566 -0.307 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.710 -3.453 -1.218 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.132 -2.826 -0.350 1.00 9.49 H new ATOM 582 N PRO A 37 -10.550 -0.581 -5.760 1.00 8.65 N ATOM 583 CA PRO A 37 -9.960 0.565 -6.466 1.00 9.18 C ATOM 584 C PRO A 37 -8.871 1.398 -5.742 1.00 9.85 C ATOM 585 O PRO A 37 -8.899 1.513 -4.529 1.00 8.51 O ATOM 586 CB PRO A 37 -11.209 1.375 -6.776 1.00 11.42 C ATOM 587 CG PRO A 37 -12.301 0.328 -6.962 1.00 9.27 C ATOM 588 CD PRO A 37 -12.006 -0.675 -5.913 1.00 8.33 C ATOM 0 HA PRO A 37 -9.365 0.233 -7.317 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.450 2.061 -5.964 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.079 1.978 -7.675 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.294 0.759 -6.837 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.268 -0.113 -7.958 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.524 -0.448 -4.981 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.316 -1.676 -6.214 1.00 8.33 H new ATOM 596 N PRO A 38 -7.838 2.076 -6.339 1.00 8.71 N ATOM 597 CA PRO A 38 -6.790 2.884 -5.684 1.00 9.08 C ATOM 598 C PRO A 38 -7.450 3.997 -4.887 1.00 9.28 C ATOM 599 O PRO A 38 -6.869 4.415 -3.921 1.00 6.50 O ATOM 600 CB PRO A 38 -5.984 3.356 -6.867 1.00 10.31 C ATOM 601 CG PRO A 38 -6.089 2.353 -8.003 1.00 10.81 C ATOM 602 CD PRO A 38 -7.449 1.709 -7.674 1.00 12.00 C ATOM 0 HA PRO A 38 -6.161 2.370 -4.957 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.344 4.330 -7.197 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.941 3.483 -6.579 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.082 2.832 -8.982 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.274 1.630 -7.996 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.203 2.039 -8.389 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.381 0.625 -7.760 1.00 12.00 H new ATOM 610 N ASP A 39 -8.578 4.577 -5.277 1.00 11.20 N ATOM 611 CA ASP A 39 -9.260 5.598 -4.575 1.00 14.96 C ATOM 612 C ASP A 39 -10.185 5.080 -3.515 1.00 13.99 C ATOM 613 O ASP A 39 -10.770 5.834 -2.728 1.00 13.75 O ATOM 614 CB ASP A 39 -9.967 6.625 -5.504 1.00 24.16 C ATOM 615 CG ASP A 39 -8.942 7.250 -6.462 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.130 8.078 -5.979 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.006 6.904 -7.679 1.00 35.55 O ATOM 0 H ASP A 39 -9.048 4.316 -6.144 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.471 6.143 -4.057 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.756 6.133 -6.072 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.442 7.403 -4.907 1.00 24.16 H new ATOM 622 N GLN A 40 -10.232 3.762 -3.307 1.00 11.60 N ATOM 623 CA GLN A 40 -10.833 3.320 -2.063 1.00 10.76 C ATOM 624 C GLN A 40 -9.776 2.716 -1.155 1.00 8.01 C ATOM 625 O GLN A 40 -10.071 1.857 -0.303 1.00 8.96 O ATOM 626 CB GLN A 40 -11.903 2.234 -2.316 1.00 11.14 C ATOM 627 CG GLN A 40 -13.174 2.728 -2.953 1.00 14.85 C ATOM 628 CD GLN A 40 -14.065 1.602 -3.436 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.112 0.494 -2.928 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.768 1.953 -4.529 1.00 18.16 N ATOM 0 H GLN A 40 -9.888 3.036 -3.935 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.292 4.193 -1.598 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.472 1.462 -2.953 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.151 1.761 -1.366 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.723 3.336 -2.234 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.926 3.375 -3.794 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.686 2.897 -4.907 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.383 1.275 -4.979 1.00 18.16 H new ATOM 639 N GLN A 41 -8.437 3.114 -1.289 1.00 6.52 N ATOM 640 CA GLN A 41 -7.291 2.679 -0.439 1.00 3.87 C ATOM 641 C GLN A 41 -6.561 3.839 0.174 1.00 4.79 C ATOM 642 O GLN A 41 -6.069 4.803 -0.461 1.00 6.34 O ATOM 643 CB GLN A 41 -6.338 1.854 -1.256 1.00 4.20 C ATOM 644 CG GLN A 41 -6.970 0.612 -1.929 1.00 3.20 C ATOM 645 CD GLN A 41 -5.979 0.007 -2.862 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.823 -0.219 -2.492 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.449 -0.405 -4.067 1.00 7.13 N ATOM 0 H GLN A 41 -8.147 3.764 -2.019 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.699 2.083 0.377 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.902 2.487 -2.029 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.521 1.526 -0.614 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.268 -0.115 -1.173 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.872 0.896 -2.471 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.411 -0.199 -4.337 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.840 -0.921 -4.703 1.00 7.13 H new ATOM 656 N ARG A 42 -6.309 3.640 1.496 1.00 5.73 N ATOM 657 CA ARG A 42 -5.393 4.415 2.374 1.00 6.97 C ATOM 658 C ARG A 42 -4.364 3.461 2.841 1.00 7.15 C ATOM 659 O ARG A 42 -4.667 2.364 3.360 1.00 7.33 O ATOM 660 CB ARG A 42 -6.071 5.044 3.584 1.00 13.23 C ATOM 661 CG ARG A 42 -7.074 6.140 3.104 1.00 21.27 C ATOM 662 CD ARG A 42 -7.339 7.112 4.284 1.00 26.14 C ATOM 663 NE ARG A 42 -8.304 8.096 3.717 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.938 9.171 2.998 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.716 9.627 2.807 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.950 9.978 2.506 1.00 36.39 N ATOM 0 H ARG A 42 -6.769 2.887 2.008 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.989 5.248 1.799 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.596 4.281 4.158 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.324 5.483 4.246 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.664 6.682 2.251 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.006 5.682 2.773 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.757 6.592 5.146 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.422 7.597 4.618 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.299 7.945 3.884 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.921 9.148 3.230 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.565 10.459 2.236 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.925 9.745 2.695 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.720 10.805 1.955 1.00 36.39 H new ATOM 680 N LEU A 43 -3.053 3.773 2.675 1.00 4.65 N ATOM 681 CA LEU A 43 -1.962 2.834 2.906 1.00 3.51 C ATOM 682 C LEU A 43 -1.157 3.236 4.040 1.00 5.56 C ATOM 683 O LEU A 43 -0.593 4.283 4.046 1.00 4.19 O ATOM 684 CB LEU A 43 -1.064 2.559 1.679 1.00 3.74 C ATOM 685 CG LEU A 43 -1.718 2.177 0.340 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.693 1.761 -0.790 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.732 1.119 0.565 1.00 6.41 C ATOM 0 H LEU A 43 -2.737 4.695 2.374 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.457 1.887 3.121 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.462 3.451 1.507 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.377 1.757 1.949 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.200 3.078 -0.040 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.237 1.507 -1.700 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.017 2.592 -0.992 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.117 0.897 -0.459 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.194 0.850 -0.385 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.252 0.241 0.997 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.497 1.487 1.249 1.00 6.41 H new ATOM 699 N ILE A 44 -1.123 2.413 5.119 1.00 4.58 N ATOM 700 CA ILE A 44 -0.694 2.832 6.503 1.00 5.55 C ATOM 701 C ILE A 44 0.487 2.067 6.957 1.00 5.46 C ATOM 702 O ILE A 44 0.460 0.847 7.228 1.00 6.04 O ATOM 703 CB ILE A 44 -1.802 2.610 7.518 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.119 3.219 7.007 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.395 3.180 8.911 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.937 4.716 6.759 1.00 13.90 C ATOM 0 H ILE A 44 -1.392 1.431 5.066 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.452 3.893 6.438 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.961 1.539 7.644 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.426 2.723 6.086 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.912 3.056 7.736 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -2.202 3.011 9.623 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.492 2.678 9.260 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -1.205 4.250 8.825 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.873 5.141 6.397 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.651 5.207 7.689 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.157 4.869 6.013 1.00 13.90 H new ATOM 718 N PHE A 45 1.642 2.781 7.062 1.00 6.75 N ATOM 719 CA PHE A 45 2.847 2.145 7.471 1.00 4.70 C ATOM 720 C PHE A 45 3.328 2.835 8.699 1.00 6.34 C ATOM 721 O PHE A 45 4.020 3.848 8.603 1.00 5.45 O ATOM 722 CB PHE A 45 3.960 2.226 6.395 1.00 5.51 C ATOM 723 CG PHE A 45 5.278 1.607 6.788 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.423 0.373 7.397 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.497 2.266 6.255 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.739 -0.190 7.573 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.756 1.753 6.479 1.00 6.64 C ATOM 728 CZ PHE A 45 7.895 0.495 7.143 1.00 6.84 C ATOM 0 H PHE A 45 1.726 3.778 6.865 1.00 6.75 H new ATOM 0 HA PHE A 45 2.634 1.090 7.643 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.603 1.737 5.488 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.128 3.274 6.147 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.553 -0.167 7.740 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.394 3.172 5.676 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.842 -1.156 8.044 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.631 2.297 6.155 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.874 0.073 7.314 1.00 6.84 H new ATOM 738 N ALA A 46 3.026 2.307 9.909 1.00 6.53 N ATOM 739 CA ALA A 46 3.631 2.733 11.191 1.00 7.15 C ATOM 740 C ALA A 46 3.086 4.100 11.537 1.00 9.00 C ATOM 741 O ALA A 46 3.916 5.009 11.650 1.00 11.15 O ATOM 742 CB ALA A 46 5.223 2.564 11.169 1.00 8.99 C ATOM 0 H ALA A 46 2.342 1.559 10.022 1.00 6.53 H new ATOM 0 HA ALA A 46 3.345 2.084 12.018 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.636 2.886 12.125 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.475 1.518 10.998 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.643 3.174 10.369 1.00 8.99 H new ATOM 748 N GLY A 47 1.730 4.282 11.528 1.00 9.35 N ATOM 749 CA GLY A 47 1.034 5.557 11.718 1.00 11.68 C ATOM 750 C GLY A 47 0.842 6.300 10.501 1.00 11.14 C ATOM 751 O GLY A 47 -0.182 6.905 10.218 1.00 13.93 O ATOM 0 H GLY A 47 1.085 3.505 11.382 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.062 5.366 12.173 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.600 6.168 12.421 1.00 11.68 H new ATOM 755 N LYS A 48 1.870 6.293 9.639 1.00 10.47 N ATOM 756 CA LYS A 48 1.906 7.192 8.433 1.00 8.82 C ATOM 757 C LYS A 48 1.179 6.678 7.222 1.00 7.68 C ATOM 758 O LYS A 48 1.324 5.533 6.824 1.00 6.47 O ATOM 759 CB LYS A 48 3.382 7.221 7.941 1.00 9.74 C ATOM 760 CG LYS A 48 3.792 8.396 6.998 1.00 14.14 C ATOM 761 CD LYS A 48 5.275 8.305 6.616 1.00 16.32 C ATOM 762 CE LYS A 48 6.308 8.392 7.735 1.00 20.04 C ATOM 763 NZ LYS A 48 7.625 8.403 7.172 1.00 23.92 N ATOM 0 H LYS A 48 2.687 5.690 9.736 1.00 10.47 H new ATOM 0 HA LYS A 48 1.457 8.130 8.759 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.030 7.247 8.817 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.585 6.284 7.422 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.179 8.374 6.097 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.598 9.348 7.492 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.428 7.361 6.093 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.486 9.102 5.904 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.146 9.294 8.324 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.198 7.545 8.412 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.329 8.462 7.936 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.777 7.530 6.628 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.727 9.225 6.543 1.00 23.92 H new ATOM 777 N GLN A 49 0.518 7.653 6.537 1.00 8.89 N ATOM 778 CA GLN A 49 -0.233 7.434 5.285 1.00 7.18 C ATOM 779 C GLN A 49 0.703 7.691 4.143 1.00 8.23 C ATOM 780 O GLN A 49 1.446 8.653 4.156 1.00 9.70 O ATOM 781 CB GLN A 49 -1.526 8.324 5.127 1.00 11.67 C ATOM 782 CG GLN A 49 -2.098 8.356 3.658 1.00 15.82 C ATOM 783 CD GLN A 49 -3.469 9.046 3.633 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.491 8.398 3.604 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.494 10.377 3.560 1.00 20.67 N ATOM 0 H GLN A 49 0.497 8.623 6.850 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.597 6.407 5.301 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.298 7.950 5.800 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.296 9.342 5.440 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.406 8.885 3.003 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.188 7.340 3.274 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.622 10.906 3.586 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.385 10.867 3.478 1.00 20.67 H new ATOM 794 N LEU A 50 0.785 6.748 3.209 1.00 6.51 N ATOM 795 CA LEU A 50 1.770 6.852 2.131 1.00 7.41 C ATOM 796 C LEU A 50 1.170 7.510 0.879 1.00 8.27 C ATOM 797 O LEU A 50 0.093 7.125 0.378 1.00 8.34 O ATOM 798 CB LEU A 50 2.278 5.474 1.749 1.00 7.13 C ATOM 799 CG LEU A 50 2.721 4.608 2.885 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.160 3.201 2.412 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.830 5.264 3.678 1.00 9.11 C ATOM 0 H LEU A 50 0.195 5.917 3.173 1.00 6.51 H new ATOM 0 HA LEU A 50 2.588 7.470 2.502 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.489 4.954 1.206 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.114 5.593 1.060 1.00 7.13 H new ATOM 0 HG LEU A 50 1.855 4.483 3.535 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.473 2.609 3.272 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.325 2.707 1.916 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.992 3.295 1.714 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.129 4.609 4.496 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.685 5.445 3.027 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.476 6.212 4.083 1.00 9.11 H new ATOM 813 N GLU A 51 1.831 8.607 0.400 1.00 9.43 N ATOM 814 CA GLU A 51 1.246 9.403 -0.715 1.00 11.90 C ATOM 815 C GLU A 51 1.568 8.849 -2.041 1.00 11.49 C ATOM 816 O GLU A 51 2.724 8.524 -2.395 1.00 9.88 O ATOM 817 CB GLU A 51 1.778 10.863 -0.696 1.00 16.56 C ATOM 818 CG GLU A 51 1.372 11.817 0.407 1.00 26.06 C ATOM 819 CD GLU A 51 1.577 13.312 0.124 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.626 13.772 -0.299 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.560 14.077 0.318 1.00 32.13 O ATOM 0 H GLU A 51 2.727 8.945 0.751 1.00 9.43 H new ATOM 0 HA GLU A 51 0.168 9.370 -0.557 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.867 10.808 -0.689 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.488 11.323 -1.641 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.318 11.653 0.630 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.932 11.559 1.306 1.00 26.06 H new ATOM 828 N ASP A 52 0.506 8.651 -2.842 1.00 12.71 N ATOM 829 CA ASP A 52 0.466 7.961 -4.130 1.00 16.56 C ATOM 830 C ASP A 52 1.650 8.102 -5.105 1.00 15.83 C ATOM 831 O ASP A 52 2.254 7.104 -5.581 1.00 17.21 O ATOM 832 CB ASP A 52 -0.768 8.540 -4.912 1.00 21.05 C ATOM 833 CG ASP A 52 -2.066 8.307 -4.142 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.621 7.175 -4.295 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.371 9.158 -3.318 1.00 25.82 O ATOM 0 H ASP A 52 -0.416 8.999 -2.579 1.00 12.71 H new ATOM 0 HA ASP A 52 0.454 6.908 -3.848 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.628 9.608 -5.080 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.834 8.069 -5.893 1.00 21.05 H new ATOM 840 N GLY A 53 1.980 9.305 -5.518 1.00 15.00 N ATOM 841 CA GLY A 53 3.107 9.479 -6.464 1.00 11.77 C ATOM 842 C GLY A 53 4.452 9.440 -5.790 1.00 11.10 C ATOM 843 O GLY A 53 5.440 9.510 -6.493 1.00 11.25 O ATOM 0 H GLY A 53 1.512 10.166 -5.236 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.063 8.696 -7.221 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.995 10.431 -6.983 1.00 11.77 H new ATOM 847 N ARG A 54 4.534 9.309 -4.430 1.00 8.53 N ATOM 848 CA ARG A 54 5.836 9.084 -3.859 1.00 9.05 C ATOM 849 C ARG A 54 6.152 7.613 -3.956 1.00 8.96 C ATOM 850 O ARG A 54 5.318 6.817 -4.346 1.00 11.60 O ATOM 851 CB ARG A 54 5.917 9.519 -2.398 1.00 7.97 C ATOM 852 CG ARG A 54 5.584 11.003 -2.051 1.00 9.62 C ATOM 853 CD ARG A 54 6.094 11.530 -0.736 1.00 12.20 C ATOM 854 NE ARG A 54 5.376 12.776 -0.331 1.00 18.23 N ATOM 855 CZ ARG A 54 5.519 13.232 0.876 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.538 12.887 1.644 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.591 14.056 1.462 1.00 23.38 N ATOM 0 H ARG A 54 3.754 9.356 -3.774 1.00 8.53 H new ATOM 0 HA ARG A 54 6.556 9.684 -4.416 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.243 8.883 -1.824 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.927 9.313 -2.045 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.982 11.634 -2.846 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.500 11.119 -2.065 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.969 10.770 0.035 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.162 11.733 -0.814 1.00 12.20 H new ATOM 0 HE ARG A 54 4.778 13.265 -0.998 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.246 12.242 1.293 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.617 13.266 2.588 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.754 14.330 0.947 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.738 14.395 2.413 1.00 23.38 H new ATOM 871 N THR A 55 7.384 7.189 -3.609 1.00 9.05 N ATOM 872 CA THR A 55 7.962 5.834 -3.677 1.00 9.03 C ATOM 873 C THR A 55 7.995 5.071 -2.370 1.00 8.15 C ATOM 874 O THR A 55 7.890 5.616 -1.270 1.00 5.91 O ATOM 875 CB THR A 55 9.280 5.672 -4.424 1.00 11.15 C ATOM 876 OG1 THR A 55 10.420 6.215 -3.771 1.00 11.95 O ATOM 877 CG2 THR A 55 9.176 6.417 -5.779 1.00 11.71 C ATOM 0 H THR A 55 8.064 7.852 -3.238 1.00 9.05 H new ATOM 0 HA THR A 55 7.211 5.366 -4.313 1.00 9.03 H new ATOM 0 HB THR A 55 9.425 4.595 -4.508 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.216 6.063 -4.322 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.113 6.310 -6.326 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.362 5.992 -6.367 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.980 7.474 -5.599 1.00 11.71 H new ATOM 885 N LEU A 56 8.340 3.748 -2.499 1.00 6.91 N ATOM 886 CA LEU A 56 8.582 2.869 -1.411 1.00 8.29 C ATOM 887 C LEU A 56 9.890 3.305 -0.672 1.00 8.05 C ATOM 888 O LEU A 56 9.981 3.368 0.541 1.00 10.17 O ATOM 889 CB LEU A 56 8.663 1.435 -1.894 1.00 6.60 C ATOM 890 CG LEU A 56 7.270 0.884 -2.299 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.517 -0.554 -2.927 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.281 0.662 -1.136 1.00 8.64 C ATOM 0 H LEU A 56 8.448 3.297 -3.407 1.00 6.91 H new ATOM 0 HA LEU A 56 7.753 2.925 -0.705 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.339 1.376 -2.747 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.087 0.810 -1.108 1.00 6.60 H new ATOM 0 HG LEU A 56 6.829 1.628 -2.963 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.564 -0.987 -3.230 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.168 -0.464 -3.797 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.989 -1.199 -2.186 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.340 0.276 -1.527 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.703 -0.055 -0.432 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.101 1.608 -0.626 1.00 8.64 H new ATOM 904 N SER A 57 10.969 3.585 -1.487 1.00 8.92 N ATOM 905 CA SER A 57 12.314 4.060 -1.010 1.00 9.00 C ATOM 906 C SER A 57 12.320 5.379 -0.234 1.00 9.44 C ATOM 907 O SER A 57 13.125 5.594 0.684 1.00 10.91 O ATOM 908 CB SER A 57 13.353 4.052 -2.139 1.00 10.32 C ATOM 909 OG SER A 57 14.761 4.044 -1.702 1.00 13.59 O ATOM 0 H SER A 57 10.923 3.485 -2.501 1.00 8.92 H new ATOM 0 HA SER A 57 12.605 3.321 -0.264 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.179 3.176 -2.764 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.190 4.928 -2.766 1.00 10.32 H new ATOM 0 HG SER A 57 15.347 4.038 -2.487 1.00 13.59 H new ATOM 915 N ASP A 58 11.418 6.281 -0.581 1.00 9.11 N ATOM 916 CA ASP A 58 11.123 7.574 0.053 1.00 7.91 C ATOM 917 C ASP A 58 10.677 7.317 1.500 1.00 9.12 C ATOM 918 O ASP A 58 10.971 8.036 2.484 1.00 8.61 O ATOM 919 CB ASP A 58 10.101 8.524 -0.685 1.00 8.41 C ATOM 920 CG ASP A 58 10.493 8.750 -2.084 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.690 8.935 -2.365 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.614 8.719 -2.981 1.00 11.70 O ATOM 0 H ASP A 58 10.813 6.121 -1.387 1.00 9.11 H new ATOM 0 HA ASP A 58 12.055 8.137 -0.002 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.104 8.085 -0.651 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.046 9.479 -0.162 1.00 8.41 H new ATOM 927 N TYR A 59 9.867 6.270 1.685 1.00 7.97 N ATOM 928 CA TYR A 59 9.221 5.875 2.939 1.00 8.45 C ATOM 929 C TYR A 59 10.000 4.778 3.667 1.00 10.98 C ATOM 930 O TYR A 59 9.655 4.339 4.740 1.00 12.95 O ATOM 931 CB TYR A 59 7.750 5.358 2.696 1.00 7.94 C ATOM 932 CG TYR A 59 6.948 6.618 2.450 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.753 7.631 3.425 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.146 6.662 1.288 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.983 8.728 3.103 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.384 7.756 1.037 1.00 6.52 C ATOM 937 CZ TYR A 59 5.287 8.805 1.935 1.00 6.76 C ATOM 938 OH TYR A 59 4.345 9.848 1.627 1.00 7.63 O ATOM 0 H TYR A 59 9.632 5.639 0.919 1.00 7.97 H new ATOM 0 HA TYR A 59 9.200 6.772 3.557 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.702 4.682 1.842 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.374 4.809 3.559 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.201 7.544 4.404 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.139 5.828 0.602 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.930 9.552 3.799 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.836 7.810 0.108 1.00 6.52 H new ATOM 0 HH TYR A 59 4.610 10.673 2.084 1.00 7.63 H new ATOM 948 N ASN A 60 11.157 4.414 3.081 1.00 12.38 N ATOM 949 CA ASN A 60 12.215 3.520 3.561 1.00 13.94 C ATOM 950 C ASN A 60 11.782 2.055 3.764 1.00 14.16 C ATOM 951 O ASN A 60 12.237 1.287 4.590 1.00 14.26 O ATOM 952 CB ASN A 60 12.950 4.186 4.763 1.00 19.23 C ATOM 953 CG ASN A 60 13.540 5.545 4.351 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.979 6.643 4.332 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.804 5.434 3.839 1.00 24.09 N ATOM 0 H ASN A 60 11.393 4.782 2.160 1.00 12.38 H new ATOM 0 HA ASN A 60 12.950 3.400 2.765 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.255 4.321 5.592 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.745 3.531 5.118 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.270 6.253 3.448 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.280 4.532 3.848 1.00 24.09 H new ATOM 962 N ILE A 61 10.836 1.581 2.958 1.00 11.08 N ATOM 963 CA ILE A 61 10.213 0.296 3.118 1.00 11.78 C ATOM 964 C ILE A 61 11.080 -0.789 2.545 1.00 13.74 C ATOM 965 O ILE A 61 11.344 -0.766 1.334 1.00 14.60 O ATOM 966 CB ILE A 61 8.816 0.225 2.400 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.912 1.201 3.085 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.255 -1.210 2.336 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.701 1.469 2.259 1.00 11.42 C ATOM 0 H ILE A 61 10.481 2.104 2.158 1.00 11.08 H new ATOM 0 HA ILE A 61 10.075 0.153 4.190 1.00 11.78 H new ATOM 0 HB ILE A 61 8.911 0.505 1.351 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.615 0.808 4.057 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.447 2.133 3.268 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.289 -1.201 1.830 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.947 -1.847 1.785 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.132 -1.598 3.347 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.058 2.181 2.776 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.001 1.884 1.297 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.157 0.538 2.099 1.00 11.42 H new ATOM 981 N GLN A 62 11.604 -1.751 3.366 1.00 13.97 N ATOM 982 CA GLN A 62 12.561 -2.817 2.957 1.00 15.52 C ATOM 983 C GLN A 62 11.771 -4.120 2.546 1.00 13.94 C ATOM 984 O GLN A 62 10.567 -4.221 2.831 1.00 12.15 O ATOM 985 CB GLN A 62 13.715 -3.160 4.007 1.00 19.53 C ATOM 986 CG GLN A 62 14.546 -2.013 4.426 1.00 26.38 C ATOM 987 CD GLN A 62 15.205 -1.294 3.224 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.974 -1.807 2.404 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.718 -0.028 2.984 1.00 32.71 N ATOM 0 H GLN A 62 11.363 -1.803 4.356 1.00 13.97 H new ATOM 0 HA GLN A 62 13.096 -2.404 2.102 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.258 -3.600 4.893 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.365 -3.920 3.573 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.930 -1.303 4.978 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.322 -2.360 5.109 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.082 0.409 3.651 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.993 0.472 2.139 1.00 32.71 H new ATOM 998 N LYS A 63 12.469 -5.026 1.864 1.00 11.73 N ATOM 999 CA LYS A 63 12.017 -6.422 1.652 1.00 11.97 C ATOM 1000 C LYS A 63 11.424 -7.174 2.848 1.00 10.41 C ATOM 1001 O LYS A 63 12.026 -7.406 3.888 1.00 9.59 O ATOM 1002 CB LYS A 63 13.344 -7.114 1.151 1.00 13.73 C ATOM 1003 CG LYS A 63 13.315 -8.638 0.944 1.00 16.98 C ATOM 1004 CD LYS A 63 14.549 -9.158 0.144 1.00 20.19 C ATOM 1005 CE LYS A 63 14.652 -10.650 0.018 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.436 -11.086 -1.164 1.00 25.97 N ATOM 0 H LYS A 63 13.372 -4.822 1.435 1.00 11.73 H new ATOM 0 HA LYS A 63 11.165 -6.436 0.972 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.629 -6.651 0.206 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.133 -6.887 1.868 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.281 -9.132 1.915 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.402 -8.912 0.415 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.520 -8.727 -0.857 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.455 -8.787 0.624 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.113 -11.053 0.920 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.649 -11.073 -0.044 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.470 -12.125 -1.194 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.985 -10.729 -2.031 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.403 -10.710 -1.097 1.00 25.97 H new ATOM 1020 N GLU A 64 10.165 -7.565 2.589 1.00 10.04 N ATOM 1021 CA GLU A 64 9.314 -8.327 3.526 1.00 10.94 C ATOM 1022 C GLU A 64 8.842 -7.565 4.762 1.00 9.74 C ATOM 1023 O GLU A 64 8.314 -8.081 5.724 1.00 9.42 O ATOM 1024 CB GLU A 64 9.895 -9.737 3.729 1.00 18.31 C ATOM 1025 CG GLU A 64 10.044 -10.566 2.444 1.00 24.16 C ATOM 1026 CD GLU A 64 10.206 -12.012 2.831 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.717 -12.307 3.913 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.788 -12.900 2.053 1.00 31.72 O ATOM 0 H GLU A 64 9.699 -7.358 1.706 1.00 10.04 H new ATOM 0 HA GLU A 64 8.339 -8.476 3.061 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.873 -9.647 4.201 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.255 -10.281 4.423 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.169 -10.439 1.807 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.907 -10.227 1.871 1.00 24.16 H new ATOM 1035 N SER A 65 9.030 -6.193 4.739 1.00 6.85 N ATOM 1036 CA SER A 65 8.381 -5.177 5.609 1.00 6.90 C ATOM 1037 C SER A 65 6.872 -5.280 5.490 1.00 4.72 C ATOM 1038 O SER A 65 6.235 -5.496 4.470 1.00 3.91 O ATOM 1039 CB SER A 65 8.852 -3.755 5.268 1.00 7.28 C ATOM 1040 OG SER A 65 8.457 -2.754 6.225 1.00 10.56 O ATOM 0 H SER A 65 9.673 -5.763 4.074 1.00 6.85 H new ATOM 0 HA SER A 65 8.674 -5.380 6.639 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.939 -3.755 5.187 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.459 -3.480 4.289 1.00 7.28 H new ATOM 0 HG SER A 65 8.794 -1.879 5.941 1.00 10.56 H new ATOM 1046 N THR A 66 6.176 -5.068 6.658 1.00 4.48 N ATOM 1047 CA THR A 66 4.767 -5.135 6.785 1.00 3.80 C ATOM 1048 C THR A 66 4.227 -3.737 6.774 1.00 4.60 C ATOM 1049 O THR A 66 4.685 -2.941 7.564 1.00 5.33 O ATOM 1050 CB THR A 66 4.207 -5.768 8.092 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.606 -7.134 8.183 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.630 -5.871 8.270 1.00 3.40 C ATOM 0 H THR A 66 6.643 -4.842 7.536 1.00 4.48 H new ATOM 0 HA THR A 66 4.461 -5.774 5.957 1.00 3.80 H new ATOM 0 HB THR A 66 4.602 -5.077 8.837 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.251 -7.524 9.009 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.402 -6.334 9.230 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.194 -4.873 8.236 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.212 -6.477 7.466 1.00 3.40 H new ATOM 1060 N LEU A 67 3.215 -3.500 5.924 1.00 4.17 N ATOM 1061 CA LEU A 67 2.420 -2.295 5.880 1.00 3.85 C ATOM 1062 C LEU A 67 1.036 -2.680 6.381 1.00 3.80 C ATOM 1063 O LEU A 67 0.781 -3.889 6.515 1.00 5.54 O ATOM 1064 CB LEU A 67 2.304 -1.674 4.451 1.00 7.18 C ATOM 1065 CG LEU A 67 3.525 -1.669 3.540 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.260 -0.984 2.190 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.800 -0.978 4.162 1.00 11.66 C ATOM 0 H LEU A 67 2.928 -4.183 5.223 1.00 4.17 H new ATOM 0 HA LEU A 67 2.899 -1.532 6.494 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.507 -2.202 3.928 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.978 -0.640 4.568 1.00 7.18 H new ATOM 0 HG LEU A 67 3.725 -2.732 3.403 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.166 -1.011 1.584 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.458 -1.507 1.668 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.968 0.052 2.359 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.622 -1.019 3.447 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.573 0.062 4.394 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.087 -1.499 5.075 1.00 11.66 H new ATOM 1079 N HIS A 68 0.158 -1.673 6.639 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.256 -1.893 6.877 1.00 4.17 C ATOM 1081 C HIS A 68 -2.070 -1.235 5.797 1.00 5.32 C ATOM 1082 O HIS A 68 -1.595 -0.352 5.026 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.682 -1.548 8.347 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.345 -2.607 9.328 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.043 -3.002 9.628 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.144 -3.357 10.193 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.065 -3.896 10.597 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.311 -4.132 11.043 1.00 16.30 N ATOM 0 H HIS A 68 0.433 -0.692 6.683 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.469 -2.959 6.805 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.198 -0.619 8.648 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.757 -1.370 8.372 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.224 -3.349 10.213 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.817 -4.383 10.987 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.594 -4.732 11.817 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.365 -1.649 5.647 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.250 -1.078 4.717 1.00 3.97 C ATOM 1098 C LEU A 69 -5.503 -0.648 5.394 1.00 5.07 C ATOM 1099 O LEU A 69 -6.020 -1.432 6.193 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.570 -2.133 3.663 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.705 -1.933 2.656 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.390 -0.798 1.700 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.778 -3.196 1.854 1.00 9.96 C ATOM 0 H LEU A 69 -3.779 -2.400 6.199 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.793 -0.202 4.256 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.659 -2.293 3.087 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.778 -3.061 4.195 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.633 -1.701 3.179 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.213 -0.677 0.995 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.256 0.126 2.263 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.475 -1.026 1.154 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.575 -3.112 1.115 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.828 -3.360 1.346 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.985 -4.036 2.517 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.944 0.583 5.078 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.223 1.133 5.537 1.00 6.26 C ATOM 1117 C VAL A 70 -8.062 1.506 4.325 1.00 9.22 C ATOM 1118 O VAL A 70 -7.603 2.112 3.306 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.942 2.375 6.436 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.210 3.156 6.867 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.333 1.809 7.770 1.00 8.54 C ATOM 0 H VAL A 70 -5.414 1.227 4.491 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.774 0.399 6.124 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.308 3.053 5.865 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.922 4.003 7.489 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.733 3.517 5.982 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.868 2.497 7.434 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.112 2.634 8.448 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.049 1.135 8.240 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.415 1.265 7.549 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.407 1.262 4.440 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.380 1.592 3.392 1.00 16.06 C ATOM 1133 C LEU A 71 -11.033 3.036 3.440 1.00 18.09 C ATOM 1134 O LEU A 71 -11.062 3.752 4.462 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.458 0.500 3.284 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.943 -0.876 2.887 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.121 -1.889 2.911 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.057 -0.948 1.671 1.00 19.57 C ATOM 0 H LEU A 71 -9.826 0.833 5.265 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.775 1.624 2.486 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.967 0.417 4.244 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.203 0.817 2.554 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.217 -1.168 3.646 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.757 -2.877 2.627 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.543 -1.932 3.915 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.890 -1.570 2.208 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.760 -1.982 1.498 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.600 -0.576 0.802 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.168 -0.337 1.832 1.00 19.57 H new