USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot 128:sc= 1.01 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.869 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0962 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.632 K(o=0.73,f=-4.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.746 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 179:sc= 0.919 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.69 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.24 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.6) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.07 (180deg=-0.387!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 2.01 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 1.2 (180deg=-0.369) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0.346 K(o=0.35,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.66) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.747 USER MOD Single : A 60 ASN : amide:sc=-0.00165 X(o=-0.0017,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.863 K(o=-0.86,f=0.0033) 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 HE2:sc= 0.375 K(o=0.37,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.957 -6.425 -5.046 1.00 9.67 N ATOM 2 CA MET A 1 11.695 -7.042 -3.726 1.00 10.38 C ATOM 3 C MET A 1 10.298 -7.445 -3.410 1.00 9.62 C ATOM 4 O MET A 1 9.444 -7.335 -4.282 1.00 9.62 O ATOM 5 CB MET A 1 12.263 -6.092 -2.641 1.00 13.77 C ATOM 6 CG MET A 1 11.334 -4.937 -2.253 1.00 16.29 C ATOM 7 SD MET A 1 12.160 -3.604 -1.410 1.00 17.17 S ATOM 8 CE MET A 1 10.754 -2.492 -1.340 1.00 16.11 C ATOM 0 H1 MET A 1 12.930 -6.059 -5.071 1.00 9.67 H new ATOM 0 H2 MET A 1 11.836 -7.139 -5.793 1.00 9.67 H new ATOM 0 H3 MET A 1 11.289 -5.644 -5.203 1.00 9.67 H new ATOM 0 HA MET A 1 12.199 -8.008 -3.752 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.488 -6.675 -1.748 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.206 -5.678 -2.997 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.859 -4.547 -3.153 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.539 -5.321 -1.614 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.045 -1.568 -0.841 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.417 -2.267 -2.352 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.944 -2.964 -0.785 1.00 16.11 H new ATOM 20 N GLN A 2 10.051 -8.014 -2.263 1.00 9.27 N ATOM 21 CA GLN A 2 8.719 -8.532 -1.881 1.00 9.07 C ATOM 22 C GLN A 2 8.301 -7.935 -0.536 1.00 8.72 C ATOM 23 O GLN A 2 9.084 -7.825 0.384 1.00 8.22 O ATOM 24 CB GLN A 2 8.788 -10.050 -1.760 1.00 14.46 C ATOM 25 CG GLN A 2 7.374 -10.723 -1.736 1.00 17.01 C ATOM 26 CD GLN A 2 7.207 -12.215 -1.747 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.794 -12.845 -2.704 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.565 -12.796 -0.593 1.00 19.49 N ATOM 0 H GLN A 2 10.761 -8.144 -1.542 1.00 9.27 H new ATOM 0 HA GLN A 2 7.989 -8.255 -2.641 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.362 -10.451 -2.596 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.326 -10.313 -0.849 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.865 -10.355 -0.845 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.827 -10.338 -2.597 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.905 -12.226 0.181 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.497 -13.808 -0.489 1.00 19.49 H new ATOM 37 N ILE A 3 7.052 -7.464 -0.366 1.00 5.87 N ATOM 38 CA ILE A 3 6.589 -6.812 0.850 1.00 5.07 C ATOM 39 C ILE A 3 5.252 -7.386 1.170 1.00 4.01 C ATOM 40 O ILE A 3 4.693 -8.050 0.302 1.00 4.61 O ATOM 41 CB ILE A 3 6.423 -5.283 0.704 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.436 -4.916 -0.404 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.794 -4.592 0.601 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.986 -3.461 -0.378 1.00 10.83 C ATOM 0 H ILE A 3 6.333 -7.532 -1.087 1.00 5.87 H new ATOM 0 HA ILE A 3 7.335 -6.982 1.627 1.00 5.07 H new ATOM 0 HB ILE A 3 5.964 -4.892 1.612 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.896 -5.126 -1.370 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.559 -5.558 -0.322 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.652 -3.516 0.499 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.374 -4.798 1.501 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.328 -4.972 -0.270 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.287 -3.282 -1.195 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.495 -3.249 0.572 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.853 -2.810 -0.492 1.00 10.83 H new ATOM 56 N PHE A 4 4.763 -7.157 2.434 1.00 4.55 N ATOM 57 CA PHE A 4 3.519 -7.686 2.899 1.00 4.68 C ATOM 58 C PHE A 4 2.422 -6.616 3.105 1.00 5.30 C ATOM 59 O PHE A 4 2.698 -5.542 3.675 1.00 5.58 O ATOM 60 CB PHE A 4 3.715 -8.456 4.260 1.00 4.83 C ATOM 61 CG PHE A 4 4.541 -9.737 3.980 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.005 -10.738 3.272 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.875 -9.794 4.436 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.711 -11.865 2.981 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.650 -10.916 4.162 1.00 10.61 C ATOM 66 CZ PHE A 4 6.017 -11.988 3.481 1.00 8.90 C ATOM 0 H PHE A 4 5.254 -6.594 3.128 1.00 4.55 H new ATOM 0 HA PHE A 4 3.184 -8.360 2.110 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.229 -7.823 4.984 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.748 -8.714 4.693 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.987 -10.650 2.923 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.293 -8.970 4.995 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.275 -12.648 2.378 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.688 -10.969 4.455 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.551 -12.917 3.345 1.00 8.90 H new ATOM 76 N VAL A 5 1.160 -6.841 2.727 1.00 4.44 N ATOM 77 CA VAL A 5 0.062 -5.917 3.084 1.00 3.87 C ATOM 78 C VAL A 5 -1.039 -6.583 3.875 1.00 4.93 C ATOM 79 O VAL A 5 -1.387 -7.746 3.628 1.00 6.84 O ATOM 80 CB VAL A 5 -0.368 -5.198 1.822 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.399 -4.128 2.233 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.798 -4.428 1.214 1.00 9.13 C ATOM 0 H VAL A 5 0.867 -7.648 2.177 1.00 4.44 H new ATOM 0 HA VAL A 5 0.408 -5.161 3.789 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.753 -5.931 1.113 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.734 -3.587 1.348 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.253 -4.610 2.709 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.940 -3.430 2.933 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.466 -3.920 0.309 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.161 -3.692 1.931 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.602 -5.121 0.967 1.00 9.13 H new ATOM 92 N LYS A 6 -1.592 -5.988 4.954 1.00 6.04 N ATOM 93 CA LYS A 6 -2.463 -6.614 5.940 1.00 6.12 C ATOM 94 C LYS A 6 -3.711 -5.835 6.097 1.00 6.57 C ATOM 95 O LYS A 6 -3.805 -4.599 6.186 1.00 5.76 O ATOM 96 CB LYS A 6 -1.859 -6.802 7.392 1.00 7.45 C ATOM 97 CG LYS A 6 -0.727 -7.854 7.556 1.00 11.12 C ATOM 98 CD LYS A 6 -0.298 -7.989 9.004 1.00 14.54 C ATOM 99 CE LYS A 6 0.885 -9.059 9.066 1.00 18.84 C ATOM 100 NZ LYS A 6 0.404 -10.421 9.006 1.00 20.55 N ATOM 0 H LYS A 6 -1.426 -5.003 5.161 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.624 -7.610 5.528 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.476 -5.838 7.727 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.673 -7.073 8.065 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.070 -8.820 7.186 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.130 -7.566 6.947 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.036 -7.028 9.394 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.136 -8.310 9.622 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.573 -8.883 8.239 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.451 -8.917 9.987 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.212 -11.076 9.033 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.218 -10.605 9.819 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.128 -10.563 8.124 1.00 20.55 H new ATOM 114 N THR A 7 -4.807 -6.620 5.994 1.00 7.41 N ATOM 115 CA THR A 7 -6.138 -6.105 6.021 1.00 7.48 C ATOM 116 C THR A 7 -6.650 -5.838 7.450 1.00 8.75 C ATOM 117 O THR A 7 -6.213 -6.335 8.451 1.00 8.58 O ATOM 118 CB THR A 7 -7.202 -6.939 5.209 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.671 -8.073 5.912 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.558 -7.416 3.885 1.00 9.17 C ATOM 0 H THR A 7 -4.761 -7.634 5.890 1.00 7.41 H new ATOM 0 HA THR A 7 -6.039 -5.153 5.499 1.00 7.48 H new ATOM 0 HB THR A 7 -8.056 -6.285 5.033 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.328 -8.550 5.363 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.285 -7.994 3.315 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.244 -6.551 3.301 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.691 -8.039 4.106 1.00 9.17 H new ATOM 128 N LEU A 8 -7.711 -5.062 7.504 1.00 9.84 N ATOM 129 CA LEU A 8 -8.398 -4.752 8.746 1.00 14.15 C ATOM 130 C LEU A 8 -8.982 -5.938 9.482 1.00 17.37 C ATOM 131 O LEU A 8 -8.949 -5.973 10.739 1.00 17.01 O ATOM 132 CB LEU A 8 -9.489 -3.638 8.536 1.00 16.63 C ATOM 133 CG LEU A 8 -10.145 -3.069 9.832 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.415 -3.833 10.271 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.056 -2.891 10.975 1.00 18.59 C ATOM 0 H LEU A 8 -8.127 -4.623 6.682 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.610 -4.376 9.398 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.035 -2.811 7.990 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.277 -4.044 7.902 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.524 -2.073 9.602 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.816 -3.381 11.178 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.162 -3.782 9.479 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.163 -4.876 10.465 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.531 -2.493 11.872 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.605 -3.857 11.202 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.283 -2.200 10.637 1.00 18.59 H new ATOM 147 N THR A 9 -9.487 -6.950 8.722 1.00 18.33 N ATOM 148 CA THR A 9 -10.049 -8.244 9.194 1.00 19.24 C ATOM 149 C THR A 9 -8.963 -9.312 9.074 1.00 19.48 C ATOM 150 O THR A 9 -9.255 -10.529 9.155 1.00 23.14 O ATOM 151 CB THR A 9 -11.316 -8.672 8.511 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.216 -8.545 7.081 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.421 -7.679 8.940 1.00 19.70 C ATOM 0 H THR A 9 -9.513 -6.878 7.705 1.00 18.33 H new ATOM 0 HA THR A 9 -10.348 -8.105 10.233 1.00 19.24 H new ATOM 0 HB THR A 9 -11.519 -9.709 8.778 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.056 -8.833 6.667 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.362 -7.954 8.464 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.539 -7.711 10.023 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.142 -6.670 8.635 1.00 19.70 H new ATOM 161 N GLY A 10 -7.679 -8.899 8.986 1.00 19.43 N ATOM 162 CA GLY A 10 -6.586 -9.850 9.298 1.00 18.74 C ATOM 163 C GLY A 10 -6.234 -10.779 8.203 1.00 17.62 C ATOM 164 O GLY A 10 -5.571 -11.791 8.525 1.00 19.74 O ATOM 0 H GLY A 10 -7.381 -7.962 8.716 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.697 -9.281 9.572 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.872 -10.435 10.172 1.00 18.74 H new ATOM 168 N LYS A 11 -6.469 -10.507 6.871 1.00 13.56 N ATOM 169 CA LYS A 11 -5.880 -11.276 5.788 1.00 11.91 C ATOM 170 C LYS A 11 -4.527 -10.727 5.399 1.00 10.18 C ATOM 171 O LYS A 11 -4.400 -9.477 5.368 1.00 9.10 O ATOM 172 CB LYS A 11 -6.758 -11.155 4.518 1.00 13.43 C ATOM 173 CG LYS A 11 -6.244 -11.922 3.336 1.00 16.69 C ATOM 174 CD LYS A 11 -7.065 -11.727 2.051 1.00 17.92 C ATOM 175 CE LYS A 11 -6.895 -12.801 1.071 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.088 -12.830 0.203 1.00 21.93 N ATOM 0 H LYS A 11 -7.072 -9.748 6.554 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.799 -12.304 6.140 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.764 -11.502 4.752 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.839 -10.103 4.246 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.213 -11.623 3.144 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.227 -12.983 3.585 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.120 -11.651 2.313 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.782 -10.780 1.591 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.997 -12.634 0.476 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.769 -13.759 1.576 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.404 -13.813 0.080 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.850 -12.274 0.641 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.852 -12.423 -0.725 1.00 21.93 H new ATOM 190 N THR A 12 -3.475 -11.516 5.051 1.00 9.63 N ATOM 191 CA THR A 12 -2.211 -10.935 4.638 1.00 9.85 C ATOM 192 C THR A 12 -2.112 -11.231 3.151 1.00 11.66 C ATOM 193 O THR A 12 -2.318 -12.381 2.772 1.00 12.33 O ATOM 194 CB THR A 12 -0.995 -11.523 5.280 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.133 -11.225 6.697 1.00 10.91 O ATOM 196 CG2 THR A 12 0.367 -10.952 4.822 1.00 9.63 C ATOM 0 H THR A 12 -3.495 -12.536 5.054 1.00 9.63 H new ATOM 0 HA THR A 12 -2.219 -9.882 4.920 1.00 9.85 H new ATOM 0 HB THR A 12 -0.965 -12.578 5.009 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.996 -12.043 7.218 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.172 -11.456 5.357 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.487 -11.113 3.751 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.404 -9.884 5.035 1.00 9.63 H new ATOM 204 N ILE A 13 -1.773 -10.212 2.371 1.00 10.42 N ATOM 205 CA ILE A 13 -1.486 -10.478 0.956 1.00 11.84 C ATOM 206 C ILE A 13 -0.039 -10.067 0.706 1.00 10.55 C ATOM 207 O ILE A 13 0.550 -9.247 1.450 1.00 11.92 O ATOM 208 CB ILE A 13 -2.364 -9.764 -0.004 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.802 -8.388 0.603 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.569 -10.646 -0.345 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.552 -7.468 -0.310 1.00 16.46 C ATOM 0 H ILE A 13 -1.691 -9.239 2.667 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.670 -11.538 0.782 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.823 -9.561 -0.928 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.422 -8.582 1.478 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.910 -7.869 0.954 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.215 -10.123 -1.050 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.223 -11.578 -0.792 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.128 -10.866 0.565 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.800 -6.550 0.222 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.933 -7.230 -1.175 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.469 -7.954 -0.643 1.00 16.46 H new ATOM 223 N THR A 14 0.592 -10.676 -0.330 1.00 9.39 N ATOM 224 CA THR A 14 2.021 -10.644 -0.561 1.00 9.63 C ATOM 225 C THR A 14 2.254 -9.913 -1.805 1.00 11.20 C ATOM 226 O THR A 14 1.747 -10.400 -2.813 1.00 11.63 O ATOM 227 CB THR A 14 2.678 -12.042 -0.760 1.00 10.38 C ATOM 228 OG1 THR A 14 2.380 -12.919 0.315 1.00 16.30 O ATOM 229 CG2 THR A 14 4.164 -11.822 -0.797 1.00 11.66 C ATOM 0 H THR A 14 0.088 -11.213 -1.036 1.00 9.39 H new ATOM 0 HA THR A 14 2.461 -10.189 0.327 1.00 9.63 H new ATOM 0 HB THR A 14 2.298 -12.495 -1.676 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.806 -13.787 0.157 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.670 -12.777 -0.935 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.413 -11.157 -1.624 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.489 -11.372 0.141 1.00 11.66 H new ATOM 237 N LEU A 15 3.005 -8.838 -1.855 1.00 8.29 N ATOM 238 CA LEU A 15 3.135 -8.055 -3.067 1.00 9.03 C ATOM 239 C LEU A 15 4.562 -7.999 -3.533 1.00 8.59 C ATOM 240 O LEU A 15 5.492 -7.882 -2.770 1.00 7.79 O ATOM 241 CB LEU A 15 2.762 -6.617 -2.851 1.00 11.08 C ATOM 242 CG LEU A 15 1.464 -6.265 -2.050 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.293 -4.783 -2.134 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.150 -6.922 -2.505 1.00 15.27 C ATOM 0 H LEU A 15 3.541 -8.481 -1.064 1.00 8.29 H new ATOM 0 HA LEU A 15 2.478 -8.543 -3.787 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.598 -6.136 -2.344 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.675 -6.152 -3.833 1.00 11.08 H new ATOM 0 HG LEU A 15 1.626 -6.660 -1.047 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.397 -4.489 -1.588 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.162 -4.291 -1.697 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.195 -4.487 -3.178 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.665 -6.589 -1.862 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.061 -6.637 -3.536 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.244 -8.006 -2.440 1.00 15.27 H new ATOM 256 N GLU A 16 4.818 -8.092 -4.836 1.00 11.04 N ATOM 257 CA GLU A 16 6.136 -7.860 -5.401 1.00 11.50 C ATOM 258 C GLU A 16 6.255 -6.446 -5.988 1.00 10.13 C ATOM 259 O GLU A 16 5.341 -6.051 -6.681 1.00 9.83 O ATOM 260 CB GLU A 16 6.458 -8.907 -6.529 1.00 17.22 C ATOM 261 CG GLU A 16 7.965 -8.852 -6.919 1.00 23.33 C ATOM 262 CD GLU A 16 8.340 -10.034 -7.696 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.641 -10.510 -8.598 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.445 -10.510 -7.310 1.00 28.86 O ATOM 0 H GLU A 16 4.110 -8.332 -5.530 1.00 11.04 H new ATOM 0 HA GLU A 16 6.852 -7.969 -4.587 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.203 -9.909 -6.185 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.843 -8.705 -7.406 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.163 -7.951 -7.499 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.577 -8.793 -6.019 1.00 23.33 H new ATOM 271 N VAL A 17 7.356 -5.715 -5.735 1.00 8.99 N ATOM 272 CA VAL A 17 7.504 -4.367 -6.069 1.00 8.85 C ATOM 273 C VAL A 17 8.994 -4.168 -6.250 1.00 8.04 C ATOM 274 O VAL A 17 9.848 -4.838 -5.665 1.00 8.99 O ATOM 275 CB VAL A 17 7.183 -3.484 -4.897 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.629 -3.265 -4.936 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.767 -4.003 -3.551 1.00 10.54 C ATOM 0 H VAL A 17 8.177 -6.104 -5.271 1.00 8.99 H new ATOM 0 HA VAL A 17 6.872 -4.133 -6.925 1.00 8.85 H new ATOM 0 HB VAL A 17 7.679 -2.516 -4.971 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.330 -2.627 -4.104 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.352 -2.788 -5.876 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.124 -4.227 -4.855 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.497 -3.317 -2.748 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.361 -4.991 -3.335 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.853 -4.065 -3.625 1.00 10.54 H new ATOM 287 N GLU A 18 9.354 -3.101 -6.925 1.00 7.29 N ATOM 288 CA GLU A 18 10.718 -2.528 -6.782 1.00 7.08 C ATOM 289 C GLU A 18 10.642 -1.338 -5.899 1.00 6.45 C ATOM 290 O GLU A 18 9.580 -0.755 -5.790 1.00 5.28 O ATOM 291 CB GLU A 18 11.277 -2.179 -8.199 1.00 10.28 C ATOM 292 CG GLU A 18 11.455 -3.330 -9.179 1.00 12.65 C ATOM 293 CD GLU A 18 12.511 -4.308 -8.710 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.723 -4.071 -8.921 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.185 -5.431 -8.206 1.00 14.33 O ATOM 0 H GLU A 18 8.748 -2.601 -7.576 1.00 7.29 H new ATOM 0 HA GLU A 18 11.402 -3.244 -6.326 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.610 -1.447 -8.655 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.244 -1.692 -8.070 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.506 -3.852 -9.304 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.733 -2.936 -10.156 1.00 12.65 H new ATOM 302 N PRO A 19 11.666 -0.861 -5.285 1.00 7.24 N ATOM 303 CA PRO A 19 11.597 0.224 -4.344 1.00 7.07 C ATOM 304 C PRO A 19 11.337 1.460 -5.095 1.00 6.65 C ATOM 305 O PRO A 19 11.065 2.516 -4.467 1.00 6.37 O ATOM 306 CB PRO A 19 13.018 0.190 -3.662 1.00 7.61 C ATOM 307 CG PRO A 19 13.924 -0.711 -4.553 1.00 8.16 C ATOM 308 CD PRO A 19 12.871 -1.668 -5.105 1.00 7.49 C ATOM 0 HA PRO A 19 10.808 0.158 -3.595 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.432 1.195 -3.581 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.952 -0.209 -2.650 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.430 -0.149 -5.338 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.696 -1.224 -3.980 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.195 -2.106 -6.049 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.691 -2.493 -4.416 1.00 7.49 H new ATOM 316 N SER A 20 11.389 1.490 -6.445 1.00 6.80 N ATOM 317 CA SER A 20 11.117 2.625 -7.259 1.00 6.28 C ATOM 318 C SER A 20 9.671 2.778 -7.709 1.00 8.45 C ATOM 319 O SER A 20 9.358 3.800 -8.256 1.00 7.26 O ATOM 320 CB SER A 20 12.127 2.578 -8.412 1.00 8.57 C ATOM 321 OG SER A 20 11.970 1.344 -9.093 1.00 11.13 O ATOM 0 H SER A 20 11.637 0.666 -6.993 1.00 6.80 H new ATOM 0 HA SER A 20 11.242 3.532 -6.667 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.963 3.412 -9.095 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.143 2.674 -8.030 1.00 8.57 H new ATOM 0 HG SER A 20 12.608 1.297 -9.836 1.00 11.13 H new ATOM 327 N ASP A 21 8.772 1.738 -7.383 1.00 7.50 N ATOM 328 CA ASP A 21 7.321 1.748 -7.423 1.00 7.70 C ATOM 329 C ASP A 21 6.764 2.715 -6.415 1.00 7.08 C ATOM 330 O ASP A 21 7.182 2.754 -5.240 1.00 8.11 O ATOM 331 CB ASP A 21 6.607 0.348 -7.246 1.00 11.00 C ATOM 332 CG ASP A 21 6.819 -0.547 -8.457 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.423 -0.107 -9.598 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.443 -1.619 -8.272 1.00 14.36 O ATOM 0 H ASP A 21 9.124 0.833 -7.071 1.00 7.50 H new ATOM 0 HA ASP A 21 7.097 2.062 -8.443 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.993 -0.147 -6.355 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.539 0.501 -7.089 1.00 11.00 H new ATOM 339 N THR A 22 5.728 3.467 -6.902 1.00 5.37 N ATOM 340 CA THR A 22 4.972 4.454 -6.140 1.00 6.01 C ATOM 341 C THR A 22 3.855 3.914 -5.365 1.00 8.01 C ATOM 342 O THR A 22 3.574 2.744 -5.464 1.00 8.11 O ATOM 343 CB THR A 22 4.390 5.473 -7.109 1.00 8.92 C ATOM 344 OG1 THR A 22 3.487 4.956 -8.052 1.00 10.22 O ATOM 345 CG2 THR A 22 5.518 6.101 -7.919 1.00 9.65 C ATOM 0 H THR A 22 5.405 3.383 -7.866 1.00 5.37 H new ATOM 0 HA THR A 22 5.681 4.879 -5.429 1.00 6.01 H new ATOM 0 HB THR A 22 3.852 6.176 -6.473 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.165 5.680 -8.628 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.104 6.831 -8.614 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.217 6.597 -7.246 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.041 5.325 -8.478 1.00 9.65 H new ATOM 353 N ILE A 23 3.210 4.652 -4.429 1.00 8.32 N ATOM 354 CA ILE A 23 2.116 4.005 -3.729 1.00 9.92 C ATOM 355 C ILE A 23 0.894 3.734 -4.646 1.00 10.01 C ATOM 356 O ILE A 23 0.207 2.744 -4.519 1.00 8.71 O ATOM 357 CB ILE A 23 1.834 4.763 -2.449 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.043 4.681 -1.469 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.488 4.283 -1.810 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.462 3.323 -0.910 1.00 12.30 C ATOM 0 H ILE A 23 3.417 5.616 -4.168 1.00 8.32 H new ATOM 0 HA ILE A 23 2.403 2.997 -3.431 1.00 9.92 H new ATOM 0 HB ILE A 23 1.708 5.820 -2.685 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.907 5.106 -1.979 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.822 5.330 -0.622 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.303 4.839 -0.891 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.329 4.456 -2.510 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.552 3.219 -1.583 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.318 3.451 -0.247 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.633 2.888 -0.352 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.735 2.660 -1.731 1.00 12.30 H new ATOM 372 N GLU A 24 0.688 4.540 -5.690 1.00 9.54 N ATOM 373 CA GLU A 24 -0.163 4.304 -6.792 1.00 11.81 C ATOM 374 C GLU A 24 0.149 2.940 -7.471 1.00 11.14 C ATOM 375 O GLU A 24 -0.783 2.139 -7.758 1.00 10.62 O ATOM 376 CB GLU A 24 -0.066 5.456 -7.835 1.00 19.24 C ATOM 377 CG GLU A 24 -1.127 5.312 -8.975 1.00 27.76 C ATOM 378 CD GLU A 24 -0.759 6.287 -10.041 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.340 6.209 -10.655 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.528 7.232 -10.273 1.00 36.51 O ATOM 0 H GLU A 24 1.164 5.439 -5.764 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.182 4.269 -6.408 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.204 6.413 -7.331 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.933 5.467 -8.270 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.134 4.295 -9.368 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.129 5.515 -8.597 1.00 27.76 H new ATOM 387 N ASN A 25 1.427 2.567 -7.750 1.00 9.43 N ATOM 388 CA ASN A 25 1.668 1.224 -8.281 1.00 10.96 C ATOM 389 C ASN A 25 1.409 0.105 -7.309 1.00 9.68 C ATOM 390 O ASN A 25 1.019 -0.984 -7.704 1.00 9.33 O ATOM 391 CB ASN A 25 3.144 1.029 -8.687 1.00 16.78 C ATOM 392 CG ASN A 25 3.591 2.099 -9.631 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.711 2.592 -9.485 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.838 2.596 -10.615 1.00 24.70 N ATOM 0 H ASN A 25 2.255 3.149 -7.621 1.00 9.43 H new ATOM 0 HA ASN A 25 0.972 1.171 -9.118 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.773 1.040 -7.797 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.269 0.052 -9.154 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.198 3.348 -11.203 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.903 2.224 -10.779 1.00 24.70 H new ATOM 401 N VAL A 26 1.574 0.303 -6.003 1.00 6.52 N ATOM 402 CA VAL A 26 1.353 -0.699 -4.933 1.00 5.53 C ATOM 403 C VAL A 26 -0.139 -0.996 -4.764 1.00 4.42 C ATOM 404 O VAL A 26 -0.575 -2.122 -4.594 1.00 3.40 O ATOM 405 CB VAL A 26 1.895 -0.164 -3.547 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.598 -1.234 -2.446 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.371 -0.009 -3.629 1.00 8.12 C ATOM 0 H VAL A 26 1.879 1.203 -5.633 1.00 6.52 H new ATOM 0 HA VAL A 26 1.886 -1.604 -5.225 1.00 5.53 H new ATOM 0 HB VAL A 26 1.418 0.787 -3.311 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.967 -0.878 -1.484 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.523 -1.402 -2.383 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.097 -2.168 -2.703 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.752 0.360 -2.676 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.826 -0.974 -3.853 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.619 0.701 -4.418 1.00 8.12 H new ATOM 417 N LYS A 27 -0.904 0.120 -4.836 1.00 2.64 N ATOM 418 CA LYS A 27 -2.310 0.064 -4.743 1.00 4.14 C ATOM 419 C LYS A 27 -2.930 -0.617 -6.003 1.00 5.58 C ATOM 420 O LYS A 27 -3.883 -1.416 -5.917 1.00 4.11 O ATOM 421 CB LYS A 27 -2.972 1.331 -4.313 1.00 3.97 C ATOM 422 CG LYS A 27 -2.383 1.826 -2.959 1.00 7.45 C ATOM 423 CD LYS A 27 -3.049 3.116 -2.432 1.00 9.02 C ATOM 424 CE LYS A 27 -3.150 4.324 -3.386 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.777 5.453 -2.631 1.00 15.47 N ATOM 0 H LYS A 27 -0.528 1.060 -4.960 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.535 -0.588 -3.899 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.835 2.096 -5.077 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.045 1.170 -4.212 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.495 1.038 -2.214 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.314 2.002 -3.079 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.058 2.862 -2.108 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.501 3.436 -1.546 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.162 4.609 -3.748 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.749 4.071 -4.261 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.090 6.186 -3.299 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.596 5.100 -2.096 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.082 5.859 -1.972 1.00 15.47 H new ATOM 439 N ALA A 28 -2.250 -0.441 -7.186 1.00 6.61 N ATOM 440 CA ALA A 28 -2.737 -1.096 -8.370 1.00 7.74 C ATOM 441 C ALA A 28 -2.565 -2.617 -8.267 1.00 9.17 C ATOM 442 O ALA A 28 -3.376 -3.345 -8.823 1.00 11.45 O ATOM 443 CB ALA A 28 -1.906 -0.581 -9.508 1.00 7.68 C ATOM 0 H ALA A 28 -1.410 0.125 -7.306 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.799 -0.892 -8.509 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.233 -1.047 -10.438 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.022 0.500 -9.583 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.858 -0.822 -9.331 1.00 7.68 H new ATOM 449 N LYS A 29 -1.515 -3.045 -7.666 1.00 8.96 N ATOM 450 CA LYS A 29 -1.259 -4.459 -7.318 1.00 7.90 C ATOM 451 C LYS A 29 -2.237 -5.004 -6.320 1.00 6.92 C ATOM 452 O LYS A 29 -2.671 -6.150 -6.459 1.00 6.87 O ATOM 453 CB LYS A 29 0.128 -4.611 -6.734 1.00 10.28 C ATOM 454 CG LYS A 29 1.300 -4.400 -7.680 1.00 14.94 C ATOM 455 CD LYS A 29 2.628 -4.150 -7.044 1.00 19.69 C ATOM 456 CE LYS A 29 3.667 -3.635 -8.022 1.00 22.63 C ATOM 457 NZ LYS A 29 4.292 -4.709 -8.742 1.00 24.98 N ATOM 0 H LYS A 29 -0.760 -2.422 -7.377 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.363 -5.020 -8.247 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.227 -3.906 -5.908 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.210 -5.612 -6.310 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.387 -5.279 -8.318 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.068 -3.556 -8.330 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.508 -3.428 -6.237 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.988 -5.075 -6.593 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.196 -2.949 -8.726 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.426 -3.067 -7.483 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.087 -4.337 -9.300 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.644 -5.419 -8.069 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.598 -5.150 -9.379 1.00 24.98 H new ATOM 471 N ILE A 30 -2.690 -4.253 -5.273 1.00 4.57 N ATOM 472 CA ILE A 30 -3.724 -4.630 -4.320 1.00 5.58 C ATOM 473 C ILE A 30 -5.108 -4.728 -5.010 1.00 7.26 C ATOM 474 O ILE A 30 -5.940 -5.567 -4.707 1.00 9.46 O ATOM 475 CB ILE A 30 -3.775 -3.740 -3.067 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.389 -3.988 -2.411 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.960 -4.056 -2.170 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.068 -2.883 -1.440 1.00 2.00 C ATOM 0 H ILE A 30 -2.311 -3.326 -5.080 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.448 -5.620 -3.956 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.937 -2.685 -3.288 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.390 -4.948 -1.894 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.619 -4.041 -3.180 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.945 -3.397 -1.302 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.886 -3.905 -2.724 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.900 -5.093 -1.840 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.094 -3.068 -0.987 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.047 -1.930 -1.968 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.830 -2.850 -0.661 1.00 2.00 H new ATOM 490 N GLN A 31 -5.360 -3.951 -6.065 1.00 7.06 N ATOM 491 CA GLN A 31 -6.541 -4.079 -6.836 1.00 8.67 C ATOM 492 C GLN A 31 -6.594 -5.320 -7.727 1.00 10.90 C ATOM 493 O GLN A 31 -7.608 -6.070 -7.816 1.00 9.63 O ATOM 494 CB GLN A 31 -6.717 -2.861 -7.752 1.00 9.12 C ATOM 495 CG GLN A 31 -7.925 -2.869 -8.660 1.00 10.76 C ATOM 496 CD GLN A 31 -8.062 -1.732 -9.669 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.926 -0.889 -9.426 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.196 -1.708 -10.702 1.00 14.76 N ATOM 0 H GLN A 31 -4.729 -3.218 -6.389 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.337 -4.163 -6.097 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.765 -1.969 -7.128 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.825 -2.768 -8.372 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.923 -3.809 -9.212 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.816 -2.870 -8.032 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.515 -2.459 -10.814 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.222 -0.939 -11.371 1.00 14.76 H new ATOM 507 N ASP A 32 -5.336 -5.663 -8.297 1.00 10.93 N ATOM 508 CA ASP A 32 -5.140 -6.943 -8.934 1.00 14.01 C ATOM 509 C ASP A 32 -5.283 -8.131 -7.966 1.00 14.04 C ATOM 510 O ASP A 32 -5.697 -9.272 -8.262 1.00 13.39 O ATOM 511 CB ASP A 32 -3.739 -6.906 -9.631 1.00 18.01 C ATOM 512 CG ASP A 32 -3.447 -8.000 -10.664 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.248 -8.119 -11.613 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.399 -8.668 -10.545 1.00 26.29 O ATOM 0 H ASP A 32 -4.517 -5.055 -8.296 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.926 -7.107 -9.671 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.630 -5.939 -10.122 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.974 -6.958 -8.857 1.00 18.01 H new ATOM 519 N LYS A 33 -4.949 -7.976 -6.646 1.00 14.22 N ATOM 520 CA LYS A 33 -5.043 -9.069 -5.658 1.00 14.00 C ATOM 521 C LYS A 33 -6.490 -9.264 -5.212 1.00 12.37 C ATOM 522 O LYS A 33 -7.105 -10.322 -5.376 1.00 12.17 O ATOM 523 CB LYS A 33 -4.214 -8.838 -4.408 1.00 18.62 C ATOM 524 CG LYS A 33 -2.648 -9.030 -4.608 1.00 24.00 C ATOM 525 CD LYS A 33 -2.094 -10.454 -4.801 1.00 27.61 C ATOM 526 CE LYS A 33 -0.566 -10.419 -4.891 1.00 27.64 C ATOM 527 NZ LYS A 33 0.004 -11.626 -4.530 1.00 30.06 N ATOM 0 H LYS A 33 -4.613 -7.096 -6.254 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.654 -9.948 -6.172 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.400 -7.827 -4.046 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.554 -9.522 -3.631 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.351 -8.440 -5.475 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.149 -8.596 -3.741 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.402 -11.088 -3.969 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.509 -10.894 -5.708 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.269 -10.168 -5.909 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.183 -9.630 -4.244 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.648 -11.479 -3.726 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.744 -12.295 -4.257 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.538 -12.012 -5.335 1.00 30.06 H new ATOM 541 N GLU A 34 -7.086 -8.211 -4.648 1.00 10.11 N ATOM 542 CA GLU A 34 -8.274 -8.324 -3.796 1.00 10.07 C ATOM 543 C GLU A 34 -9.456 -7.549 -4.361 1.00 9.32 C ATOM 544 O GLU A 34 -10.548 -7.746 -3.852 1.00 11.61 O ATOM 545 CB GLU A 34 -7.991 -7.763 -2.429 1.00 14.77 C ATOM 546 CG GLU A 34 -7.103 -8.634 -1.531 1.00 18.75 C ATOM 547 CD GLU A 34 -7.822 -9.901 -1.142 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.804 -9.974 -0.367 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.306 -10.968 -1.636 1.00 25.19 O ATOM 0 H GLU A 34 -6.758 -7.253 -4.769 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.519 -9.385 -3.748 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.516 -6.789 -2.546 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.940 -7.596 -1.920 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.178 -8.880 -2.053 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.825 -8.078 -0.636 1.00 18.75 H new ATOM 556 N GLY A 35 -9.321 -6.731 -5.468 1.00 7.22 N ATOM 557 CA GLY A 35 -10.406 -6.001 -6.168 1.00 6.29 C ATOM 558 C GLY A 35 -10.677 -4.666 -5.591 1.00 6.93 C ATOM 559 O GLY A 35 -11.511 -3.982 -6.134 1.00 7.41 O ATOM 0 H GLY A 35 -8.411 -6.568 -5.899 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.140 -5.888 -7.219 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.318 -6.597 -6.132 1.00 6.29 H new ATOM 563 N ILE A 36 -9.992 -4.216 -4.514 1.00 5.86 N ATOM 564 CA ILE A 36 -10.265 -2.958 -3.898 1.00 6.07 C ATOM 565 C ILE A 36 -9.747 -1.839 -4.751 1.00 6.36 C ATOM 566 O ILE A 36 -8.635 -1.876 -5.260 1.00 6.18 O ATOM 567 CB ILE A 36 -9.702 -2.933 -2.499 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.869 -4.208 -1.649 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.332 -1.781 -1.741 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.958 -4.242 -0.417 1.00 9.49 C ATOM 0 H ILE A 36 -9.238 -4.739 -4.069 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.342 -2.818 -3.812 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.627 -2.832 -2.647 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.907 -4.287 -1.326 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.661 -5.079 -2.270 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.933 -1.751 -0.727 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.104 -0.844 -2.248 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.413 -1.919 -1.702 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.127 -5.166 0.135 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.916 -4.194 -0.734 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.182 -3.390 0.225 1.00 9.49 H new ATOM 582 N PRO A 37 -10.442 -0.739 -5.035 1.00 8.65 N ATOM 583 CA PRO A 37 -9.922 0.260 -5.958 1.00 9.18 C ATOM 584 C PRO A 37 -8.870 1.170 -5.394 1.00 9.85 C ATOM 585 O PRO A 37 -9.061 1.536 -4.269 1.00 8.51 O ATOM 586 CB PRO A 37 -11.133 1.194 -6.406 1.00 11.42 C ATOM 587 CG PRO A 37 -12.373 0.313 -6.064 1.00 9.27 C ATOM 588 CD PRO A 37 -11.909 -0.673 -4.958 1.00 8.33 C ATOM 0 HA PRO A 37 -9.459 -0.303 -6.768 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.142 2.138 -5.861 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.088 1.438 -7.467 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.203 0.927 -5.715 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.723 -0.226 -6.945 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.229 -0.329 -3.975 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.349 -1.659 -5.110 1.00 8.33 H new ATOM 596 N PRO A 38 -7.866 1.653 -6.103 1.00 8.71 N ATOM 597 CA PRO A 38 -6.750 2.401 -5.520 1.00 9.08 C ATOM 598 C PRO A 38 -7.075 3.825 -5.200 1.00 9.28 C ATOM 599 O PRO A 38 -6.281 4.449 -4.526 1.00 6.50 O ATOM 600 CB PRO A 38 -5.651 2.327 -6.592 1.00 10.31 C ATOM 601 CG PRO A 38 -6.432 2.096 -7.835 1.00 10.81 C ATOM 602 CD PRO A 38 -7.566 1.204 -7.459 1.00 12.00 C ATOM 0 HA PRO A 38 -6.462 1.973 -4.560 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.070 3.248 -6.643 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.948 1.517 -6.398 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.798 3.038 -8.245 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.812 1.634 -8.603 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.419 1.324 -8.127 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.284 0.151 -7.488 1.00 12.00 H new ATOM 610 N ASP A 39 -8.241 4.330 -5.729 1.00 11.20 N ATOM 611 CA ASP A 39 -8.969 5.508 -5.361 1.00 14.96 C ATOM 612 C ASP A 39 -9.380 5.393 -3.905 1.00 13.99 C ATOM 613 O ASP A 39 -9.267 6.317 -3.122 1.00 13.75 O ATOM 614 CB ASP A 39 -10.142 5.728 -6.290 1.00 24.16 C ATOM 615 CG ASP A 39 -9.839 5.627 -7.756 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.764 6.031 -8.226 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.701 5.092 -8.458 1.00 35.55 O ATOM 0 H ASP A 39 -8.705 3.844 -6.496 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.338 6.390 -5.465 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.916 5.000 -6.047 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.559 6.715 -6.091 1.00 24.16 H new ATOM 622 N GLN A 40 -9.827 4.208 -3.530 1.00 11.60 N ATOM 623 CA GLN A 40 -10.461 3.947 -2.221 1.00 10.76 C ATOM 624 C GLN A 40 -9.404 3.549 -1.173 1.00 8.01 C ATOM 625 O GLN A 40 -9.369 3.974 -0.045 1.00 8.96 O ATOM 626 CB GLN A 40 -11.445 2.775 -2.409 1.00 11.14 C ATOM 627 CG GLN A 40 -12.281 2.464 -1.109 1.00 14.85 C ATOM 628 CD GLN A 40 -13.150 1.222 -1.229 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.963 0.301 -0.423 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.021 1.096 -2.228 1.00 18.16 N ATOM 0 H GLN A 40 -9.766 3.380 -4.123 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.970 4.845 -1.871 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.127 3.007 -3.227 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.890 1.883 -2.700 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.598 2.340 -0.269 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.915 3.321 -0.881 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.162 1.866 -2.882 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.548 0.230 -2.339 1.00 18.16 H new ATOM 639 N GLN A 41 -8.405 2.780 -1.580 1.00 6.52 N ATOM 640 CA GLN A 41 -7.353 2.329 -0.690 1.00 3.87 C ATOM 641 C GLN A 41 -6.422 3.518 -0.292 1.00 4.79 C ATOM 642 O GLN A 41 -6.039 4.440 -1.044 1.00 6.34 O ATOM 643 CB GLN A 41 -6.398 1.230 -1.348 1.00 4.20 C ATOM 644 CG GLN A 41 -7.099 -0.095 -1.829 1.00 3.20 C ATOM 645 CD GLN A 41 -5.962 -0.778 -2.618 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.837 -0.875 -2.092 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.220 -1.062 -3.895 1.00 7.13 N ATOM 0 H GLN A 41 -8.304 2.452 -2.540 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.874 1.901 0.167 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.893 1.681 -2.202 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.627 0.967 -0.624 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.441 -0.705 -0.993 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.969 0.105 -2.454 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.167 -0.959 -4.259 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.470 -1.382 -4.508 1.00 7.13 H new ATOM 656 N ARG A 42 -5.906 3.402 0.946 1.00 5.73 N ATOM 657 CA ARG A 42 -4.780 4.087 1.559 1.00 6.97 C ATOM 658 C ARG A 42 -3.999 2.971 2.277 1.00 7.15 C ATOM 659 O ARG A 42 -4.473 1.894 2.655 1.00 7.33 O ATOM 660 CB ARG A 42 -5.333 5.157 2.515 1.00 13.23 C ATOM 661 CG ARG A 42 -5.542 6.532 1.828 1.00 21.27 C ATOM 662 CD ARG A 42 -5.498 7.717 2.729 1.00 26.14 C ATOM 663 NE ARG A 42 -5.671 9.041 2.017 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.113 10.161 2.621 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.885 10.174 3.721 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.953 11.317 2.002 1.00 36.39 N ATOM 0 H ARG A 42 -6.325 2.748 1.607 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.125 4.610 0.863 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.283 4.814 2.926 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.647 5.276 3.354 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.778 6.654 1.060 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.506 6.521 1.319 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.280 7.617 3.482 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.545 7.723 3.258 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.440 9.088 1.025 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.173 9.296 4.152 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.183 11.062 4.125 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.503 11.348 1.087 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.279 12.179 2.439 1.00 36.39 H new ATOM 680 N LEU A 43 -2.732 3.310 2.695 1.00 4.65 N ATOM 681 CA LEU A 43 -1.749 2.407 3.241 1.00 3.51 C ATOM 682 C LEU A 43 -0.976 3.126 4.368 1.00 5.56 C ATOM 683 O LEU A 43 -0.488 4.241 4.269 1.00 4.19 O ATOM 684 CB LEU A 43 -0.718 2.171 2.111 1.00 3.74 C ATOM 685 CG LEU A 43 -1.178 1.318 0.893 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.014 1.189 -0.096 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.744 -0.028 1.334 1.00 6.41 C ATOM 0 H LEU A 43 -2.390 4.269 2.643 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.220 1.495 3.609 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.396 3.144 1.739 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.158 1.691 2.548 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.999 1.820 0.381 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.329 0.592 -0.952 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.287 2.180 -0.435 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.829 0.702 0.395 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.055 -0.597 0.458 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.979 -0.585 1.875 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.603 0.134 1.985 1.00 6.41 H new ATOM 699 N ILE A 44 -0.854 2.492 5.556 1.00 4.58 N ATOM 700 CA ILE A 44 -0.281 3.009 6.764 1.00 5.55 C ATOM 701 C ILE A 44 0.989 2.193 7.024 1.00 5.46 C ATOM 702 O ILE A 44 0.965 0.973 7.161 1.00 6.04 O ATOM 703 CB ILE A 44 -1.224 2.941 7.923 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.443 3.906 7.666 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.457 3.257 9.269 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.577 3.885 8.733 1.00 13.90 C ATOM 0 H ILE A 44 -1.186 1.535 5.677 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.054 4.069 6.649 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.626 1.933 8.025 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.063 4.925 7.591 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.879 3.656 6.699 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.154 3.205 10.106 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.340 2.527 9.414 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.027 4.257 9.217 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.359 4.589 8.447 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.998 2.882 8.797 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.169 4.170 9.703 1.00 13.90 H new ATOM 718 N PHE A 45 2.089 2.940 7.222 1.00 6.75 N ATOM 719 CA PHE A 45 3.343 2.418 7.813 1.00 4.70 C ATOM 720 C PHE A 45 3.976 3.567 8.683 1.00 6.34 C ATOM 721 O PHE A 45 3.780 4.748 8.350 1.00 5.45 O ATOM 722 CB PHE A 45 4.245 1.982 6.638 1.00 5.51 C ATOM 723 CG PHE A 45 5.741 1.846 6.935 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.281 0.745 7.607 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.638 2.968 6.691 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.688 0.613 7.844 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.986 2.854 6.913 1.00 6.64 C ATOM 728 CZ PHE A 45 8.521 1.680 7.475 1.00 6.84 C ATOM 0 H PHE A 45 2.138 3.929 6.977 1.00 6.75 H new ATOM 0 HA PHE A 45 3.193 1.558 8.466 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.883 1.023 6.268 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.122 2.702 5.829 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.617 -0.030 7.959 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.235 3.903 6.330 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.095 -0.281 8.293 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.643 3.672 6.655 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.588 1.599 7.624 1.00 6.84 H new ATOM 738 N ALA A 46 4.608 3.111 9.834 1.00 6.53 N ATOM 739 CA ALA A 46 5.360 3.919 10.755 1.00 7.15 C ATOM 740 C ALA A 46 4.492 4.949 11.521 1.00 9.00 C ATOM 741 O ALA A 46 4.973 5.977 12.005 1.00 11.15 O ATOM 742 CB ALA A 46 6.548 4.498 9.984 1.00 8.99 C ATOM 0 H ALA A 46 4.578 2.130 10.112 1.00 6.53 H new ATOM 0 HA ALA A 46 5.747 3.313 11.574 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.146 5.120 10.650 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.162 3.685 9.598 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.183 5.103 9.154 1.00 8.99 H new ATOM 748 N GLY A 47 3.210 4.577 11.699 1.00 9.35 N ATOM 749 CA GLY A 47 2.137 5.354 12.252 1.00 11.68 C ATOM 750 C GLY A 47 1.650 6.433 11.282 1.00 11.14 C ATOM 751 O GLY A 47 0.951 7.333 11.765 1.00 13.93 O ATOM 0 H GLY A 47 2.896 3.645 11.430 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.307 4.695 12.508 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.469 5.823 13.178 1.00 11.68 H new ATOM 755 N LYS A 48 1.999 6.422 9.993 1.00 10.47 N ATOM 756 CA LYS A 48 1.572 7.403 9.051 1.00 8.82 C ATOM 757 C LYS A 48 1.022 6.868 7.757 1.00 7.68 C ATOM 758 O LYS A 48 1.314 5.747 7.400 1.00 6.47 O ATOM 759 CB LYS A 48 2.708 8.407 8.892 1.00 9.74 C ATOM 760 CG LYS A 48 3.904 7.911 8.141 1.00 14.14 C ATOM 761 CD LYS A 48 5.025 8.955 8.060 1.00 16.32 C ATOM 762 CE LYS A 48 6.359 8.346 7.533 1.00 20.04 C ATOM 763 NZ LYS A 48 7.380 9.376 7.361 1.00 23.92 N ATOM 0 H LYS A 48 2.601 5.705 9.588 1.00 10.47 H new ATOM 0 HA LYS A 48 0.688 7.904 9.446 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.321 9.290 8.383 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.029 8.726 9.883 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.285 7.011 8.625 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.603 7.628 7.132 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.715 9.769 7.404 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.190 9.386 9.047 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.717 7.589 8.231 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.182 7.844 6.582 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.257 8.941 7.009 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.047 10.085 6.677 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.565 9.837 8.275 1.00 23.92 H new ATOM 777 N GLN A 49 0.222 7.659 6.960 1.00 8.89 N ATOM 778 CA GLN A 49 -0.197 7.255 5.625 1.00 7.18 C ATOM 779 C GLN A 49 0.863 7.572 4.536 1.00 8.23 C ATOM 780 O GLN A 49 1.579 8.555 4.600 1.00 9.70 O ATOM 781 CB GLN A 49 -1.539 7.957 5.329 1.00 11.67 C ATOM 782 CG GLN A 49 -2.700 7.417 6.244 1.00 15.82 C ATOM 783 CD GLN A 49 -3.982 8.292 6.066 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.052 7.816 5.766 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.820 9.629 6.222 1.00 20.67 N ATOM 0 H GLN A 49 -0.129 8.573 7.246 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.314 6.172 5.598 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.428 9.031 5.480 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.803 7.808 4.282 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.921 6.380 5.989 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.385 7.429 7.288 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.907 10.006 6.476 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.611 10.258 6.086 1.00 20.67 H new ATOM 794 N LEU A 50 0.938 6.627 3.653 1.00 6.51 N ATOM 795 CA LEU A 50 1.897 6.662 2.527 1.00 7.41 C ATOM 796 C LEU A 50 1.120 7.248 1.354 1.00 8.27 C ATOM 797 O LEU A 50 0.131 6.665 0.918 1.00 8.34 O ATOM 798 CB LEU A 50 2.459 5.303 2.143 1.00 7.13 C ATOM 799 CG LEU A 50 2.978 4.490 3.419 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.349 3.082 2.970 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.193 5.176 4.107 1.00 9.11 C ATOM 0 H LEU A 50 0.347 5.796 3.668 1.00 6.51 H new ATOM 0 HA LEU A 50 2.768 7.251 2.815 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.690 4.724 1.631 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.280 5.436 1.438 1.00 7.13 H new ATOM 0 HG LEU A 50 2.180 4.461 4.161 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.706 2.509 3.826 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.472 2.592 2.546 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.134 3.136 2.216 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.506 4.584 4.967 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.018 5.251 3.398 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.908 6.174 4.438 1.00 9.11 H new ATOM 813 N GLU A 51 1.547 8.352 0.701 1.00 9.43 N ATOM 814 CA GLU A 51 0.836 9.092 -0.331 1.00 11.90 C ATOM 815 C GLU A 51 1.034 8.484 -1.663 1.00 11.49 C ATOM 816 O GLU A 51 2.115 7.973 -2.011 1.00 9.88 O ATOM 817 CB GLU A 51 1.369 10.495 -0.499 1.00 16.56 C ATOM 818 CG GLU A 51 1.251 11.274 0.846 1.00 26.06 C ATOM 819 CD GLU A 51 1.734 12.665 0.494 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.991 12.849 0.313 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.891 13.583 0.266 1.00 33.44 O ATOM 0 H GLU A 51 2.457 8.765 0.904 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.205 9.082 -0.007 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.410 10.461 -0.819 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.812 11.014 -1.279 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.225 11.287 1.213 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.863 10.822 1.626 1.00 26.06 H new ATOM 828 N ASP A 52 -0.030 8.609 -2.499 1.00 12.71 N ATOM 829 CA ASP A 52 -0.155 7.900 -3.734 1.00 16.56 C ATOM 830 C ASP A 52 1.007 8.079 -4.684 1.00 15.83 C ATOM 831 O ASP A 52 1.511 7.130 -5.321 1.00 17.21 O ATOM 832 CB ASP A 52 -1.413 8.558 -4.425 1.00 21.05 C ATOM 833 CG ASP A 52 -2.724 8.275 -3.722 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.022 8.929 -2.668 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.580 7.551 -4.331 1.00 28.37 O ATOM 0 H ASP A 52 -0.820 9.223 -2.302 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.217 6.832 -3.525 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.265 9.637 -4.473 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.479 8.199 -5.452 1.00 21.05 H new ATOM 840 N GLY A 53 1.587 9.289 -4.811 1.00 15.00 N ATOM 841 CA GLY A 53 2.505 9.505 -5.886 1.00 11.77 C ATOM 842 C GLY A 53 3.930 9.663 -5.327 1.00 11.10 C ATOM 843 O GLY A 53 4.691 10.568 -5.705 1.00 11.25 O ATOM 0 H GLY A 53 1.429 10.087 -4.196 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.468 8.667 -6.583 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.222 10.397 -6.445 1.00 11.77 H new ATOM 847 N ARG A 54 4.236 8.721 -4.450 1.00 8.53 N ATOM 848 CA ARG A 54 5.489 8.781 -3.771 1.00 9.05 C ATOM 849 C ARG A 54 5.986 7.366 -3.534 1.00 8.96 C ATOM 850 O ARG A 54 5.238 6.455 -3.347 1.00 11.60 O ATOM 851 CB ARG A 54 5.255 9.585 -2.466 1.00 7.97 C ATOM 852 CG ARG A 54 6.527 10.006 -1.716 1.00 9.62 C ATOM 853 CD ARG A 54 7.383 11.154 -2.311 1.00 12.20 C ATOM 854 NE ARG A 54 6.464 12.337 -2.588 1.00 18.23 N ATOM 855 CZ ARG A 54 6.954 13.484 -3.102 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.234 13.733 -3.236 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.113 14.423 -3.388 1.00 23.38 N ATOM 0 H ARG A 54 3.641 7.930 -4.206 1.00 8.53 H new ATOM 0 HA ARG A 54 6.265 9.284 -4.348 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.683 10.481 -2.709 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.639 8.986 -1.795 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.237 10.296 -0.706 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.166 9.127 -1.625 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.172 11.440 -1.615 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.871 10.828 -3.230 1.00 12.20 H new ATOM 0 HE ARG A 54 5.468 12.261 -2.383 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.922 13.039 -2.944 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.542 14.621 -3.633 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.116 14.282 -3.223 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.446 15.305 -3.778 1.00 23.38 H new ATOM 871 N THR A 55 7.347 7.148 -3.672 1.00 9.05 N ATOM 872 CA THR A 55 7.964 5.784 -3.798 1.00 9.03 C ATOM 873 C THR A 55 8.217 5.036 -2.497 1.00 8.15 C ATOM 874 O THR A 55 8.470 5.632 -1.445 1.00 5.91 O ATOM 875 CB THR A 55 9.185 5.674 -4.691 1.00 11.15 C ATOM 876 OG1 THR A 55 10.242 6.444 -4.217 1.00 11.95 O ATOM 877 CG2 THR A 55 8.819 6.180 -6.064 1.00 11.71 C ATOM 0 H THR A 55 8.029 7.906 -3.698 1.00 9.05 H new ATOM 0 HA THR A 55 7.144 5.281 -4.310 1.00 9.03 H new ATOM 0 HB THR A 55 9.497 4.630 -4.712 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.046 5.888 -4.147 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.686 6.109 -6.721 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.006 5.577 -6.469 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.500 7.220 -5.995 1.00 11.71 H new ATOM 885 N LEU A 56 8.306 3.697 -2.518 1.00 6.91 N ATOM 886 CA LEU A 56 8.792 2.835 -1.422 1.00 8.29 C ATOM 887 C LEU A 56 10.213 3.196 -0.926 1.00 8.05 C ATOM 888 O LEU A 56 10.458 3.188 0.278 1.00 10.17 O ATOM 889 CB LEU A 56 8.634 1.351 -1.846 1.00 6.60 C ATOM 890 CG LEU A 56 7.240 0.885 -2.059 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.235 -0.162 -3.210 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.703 0.219 -0.760 1.00 8.64 C ATOM 0 H LEU A 56 8.028 3.157 -3.338 1.00 6.91 H new ATOM 0 HA LEU A 56 8.175 3.012 -0.541 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.194 1.194 -2.768 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.094 0.724 -1.083 1.00 6.60 H new ATOM 0 HG LEU A 56 6.605 1.733 -2.316 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.217 -0.513 -3.378 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.615 0.298 -4.122 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.870 -1.005 -2.938 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.680 -0.121 -0.922 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.332 -0.633 -0.501 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.720 0.943 0.054 1.00 8.64 H new ATOM 904 N SER A 57 11.135 3.590 -1.869 1.00 8.92 N ATOM 905 CA SER A 57 12.410 4.183 -1.630 1.00 9.00 C ATOM 906 C SER A 57 12.447 5.428 -0.752 1.00 9.44 C ATOM 907 O SER A 57 13.251 5.534 0.198 1.00 10.91 O ATOM 908 CB SER A 57 13.364 4.441 -2.863 1.00 10.32 C ATOM 909 OG SER A 57 12.698 5.095 -3.920 1.00 13.59 O ATOM 0 H SER A 57 10.952 3.475 -2.866 1.00 8.92 H new ATOM 0 HA SER A 57 12.809 3.336 -1.072 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.215 5.043 -2.543 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.762 3.490 -3.218 1.00 10.32 H new ATOM 0 HG SER A 57 13.322 5.237 -4.662 1.00 13.59 H new ATOM 915 N ASP A 58 11.541 6.408 -1.038 1.00 9.11 N ATOM 916 CA ASP A 58 11.342 7.677 -0.339 1.00 7.91 C ATOM 917 C ASP A 58 10.852 7.501 1.098 1.00 9.12 C ATOM 918 O ASP A 58 11.245 8.181 2.056 1.00 8.61 O ATOM 919 CB ASP A 58 10.443 8.570 -1.215 1.00 8.41 C ATOM 920 CG ASP A 58 10.641 9.993 -0.868 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.033 10.451 0.160 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.380 10.667 -1.577 1.00 11.70 O ATOM 0 H ASP A 58 10.894 6.308 -1.820 1.00 9.11 H new ATOM 0 HA ASP A 58 12.300 8.180 -0.206 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.675 8.410 -2.268 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.398 8.296 -1.073 1.00 8.41 H new ATOM 927 N TYR A 59 9.932 6.587 1.257 1.00 7.97 N ATOM 928 CA TYR A 59 9.356 6.323 2.551 1.00 8.45 C ATOM 929 C TYR A 59 10.324 5.399 3.293 1.00 10.98 C ATOM 930 O TYR A 59 10.008 5.109 4.453 1.00 12.95 O ATOM 931 CB TYR A 59 7.986 5.594 2.446 1.00 7.94 C ATOM 932 CG TYR A 59 6.947 6.610 2.127 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.688 7.629 3.031 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.131 6.521 0.958 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.774 8.634 2.695 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.173 7.466 0.707 1.00 6.52 C ATOM 937 CZ TYR A 59 5.041 8.620 1.497 1.00 6.76 C ATOM 938 OH TYR A 59 4.131 9.601 1.182 1.00 7.63 O ATOM 0 H TYR A 59 9.563 6.009 0.502 1.00 7.97 H new ATOM 0 HA TYR A 59 9.194 7.271 3.064 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.020 4.828 1.671 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.750 5.089 3.383 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.188 7.647 3.988 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.271 5.702 0.267 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.626 9.453 3.384 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.498 7.320 -0.124 1.00 6.52 H new ATOM 0 HH TYR A 59 4.308 9.933 0.277 1.00 7.63 H new ATOM 948 N ASN A 60 11.441 4.908 2.725 1.00 12.38 N ATOM 949 CA ASN A 60 12.469 3.993 3.269 1.00 13.94 C ATOM 950 C ASN A 60 11.839 2.641 3.672 1.00 14.16 C ATOM 951 O ASN A 60 12.227 2.086 4.699 1.00 14.26 O ATOM 952 CB ASN A 60 13.382 4.703 4.322 1.00 19.23 C ATOM 953 CG ASN A 60 14.176 5.891 3.684 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.014 7.058 4.053 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.144 5.582 2.717 1.00 24.09 N ATOM 0 H ASN A 60 11.673 5.170 1.767 1.00 12.38 H new ATOM 0 HA ASN A 60 13.182 3.722 2.490 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.770 5.073 5.145 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.081 3.981 4.744 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.718 6.323 2.315 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.274 4.616 2.416 1.00 24.09 H new ATOM 962 N ILE A 61 10.968 2.126 2.799 1.00 11.08 N ATOM 963 CA ILE A 61 10.363 0.818 2.967 1.00 11.78 C ATOM 964 C ILE A 61 11.292 -0.170 2.260 1.00 13.74 C ATOM 965 O ILE A 61 11.674 0.053 1.108 1.00 14.60 O ATOM 966 CB ILE A 61 8.943 0.802 2.466 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.033 1.675 3.385 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.347 -0.627 2.392 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.656 2.002 2.773 1.00 11.42 C ATOM 0 H ILE A 61 10.667 2.613 1.955 1.00 11.08 H new ATOM 0 HA ILE A 61 10.269 0.536 4.016 1.00 11.78 H new ATOM 0 HB ILE A 61 8.972 1.209 1.455 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.885 1.155 4.332 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.550 2.608 3.611 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.322 -0.575 2.024 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.945 -1.236 1.714 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.354 -1.076 3.385 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.083 2.611 3.472 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.793 2.550 1.841 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.117 1.076 2.573 1.00 11.42 H new ATOM 981 N GLN A 62 11.612 -1.245 3.012 1.00 13.97 N ATOM 982 CA GLN A 62 12.642 -2.212 2.681 1.00 15.52 C ATOM 983 C GLN A 62 11.950 -3.604 2.549 1.00 13.94 C ATOM 984 O GLN A 62 10.752 -3.798 2.781 1.00 12.15 O ATOM 985 CB GLN A 62 13.719 -2.270 3.836 1.00 19.53 C ATOM 986 CG GLN A 62 14.172 -0.956 4.446 1.00 26.38 C ATOM 987 CD GLN A 62 15.110 -0.107 3.508 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.142 1.090 3.504 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.085 -0.816 2.881 1.00 32.71 N ATOM 0 H GLN A 62 11.137 -1.456 3.890 1.00 13.97 H new ATOM 0 HA GLN A 62 13.142 -1.934 1.754 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.318 -2.891 4.637 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.600 -2.781 3.447 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.294 -0.362 4.699 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.697 -1.162 5.379 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.057 -1.836 2.885 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.845 -0.329 2.406 1.00 32.71 H new ATOM 998 N LYS A 63 12.699 -4.608 2.062 1.00 11.73 N ATOM 999 CA LYS A 63 12.183 -5.974 1.734 1.00 11.97 C ATOM 1000 C LYS A 63 11.619 -6.756 2.923 1.00 10.41 C ATOM 1001 O LYS A 63 12.184 -6.770 4.006 1.00 9.59 O ATOM 1002 CB LYS A 63 13.278 -6.840 0.982 1.00 13.73 C ATOM 1003 CG LYS A 63 14.366 -7.344 1.881 1.00 16.98 C ATOM 1004 CD LYS A 63 15.452 -8.131 1.122 1.00 20.19 C ATOM 1005 CE LYS A 63 16.582 -8.639 2.003 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.411 -9.603 1.226 1.00 25.97 N ATOM 0 H LYS A 63 13.697 -4.505 1.878 1.00 11.73 H new ATOM 0 HA LYS A 63 11.337 -5.791 1.072 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.791 -7.690 0.503 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.723 -6.239 0.189 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.827 -6.500 2.394 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.930 -7.984 2.648 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.987 -8.980 0.621 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.871 -7.493 0.344 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.196 -7.806 2.345 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.177 -9.123 2.892 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.186 -9.954 1.823 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.820 -10.402 0.921 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.807 -9.126 0.391 1.00 25.97 H new ATOM 1020 N GLU A 64 10.444 -7.396 2.746 1.00 10.04 N ATOM 1021 CA GLU A 64 9.703 -8.245 3.697 1.00 10.94 C ATOM 1022 C GLU A 64 8.955 -7.437 4.797 1.00 9.74 C ATOM 1023 O GLU A 64 8.554 -7.946 5.829 1.00 9.42 O ATOM 1024 CB GLU A 64 10.488 -9.503 4.166 1.00 18.31 C ATOM 1025 CG GLU A 64 10.822 -10.486 2.968 1.00 24.16 C ATOM 1026 CD GLU A 64 11.186 -11.894 3.470 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.265 -12.536 4.010 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.393 -12.293 3.402 1.00 32.61 O ATOM 0 H GLU A 64 9.949 -7.325 1.857 1.00 10.04 H new ATOM 0 HA GLU A 64 8.884 -8.690 3.132 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.415 -9.191 4.646 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.903 -10.034 4.917 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.964 -10.549 2.299 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.650 -10.082 2.386 1.00 24.16 H new ATOM 1035 N SER A 65 8.791 -6.142 4.508 1.00 6.85 N ATOM 1036 CA SER A 65 8.202 -5.255 5.470 1.00 6.90 C ATOM 1037 C SER A 65 6.720 -5.177 5.235 1.00 4.72 C ATOM 1038 O SER A 65 6.211 -5.569 4.177 1.00 3.91 O ATOM 1039 CB SER A 65 8.858 -3.865 5.366 1.00 7.28 C ATOM 1040 OG SER A 65 8.378 -2.941 6.321 1.00 10.56 O ATOM 0 H SER A 65 9.059 -5.706 3.625 1.00 6.85 H new ATOM 0 HA SER A 65 8.371 -5.634 6.478 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.936 -3.971 5.485 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.686 -3.465 4.367 1.00 7.28 H new ATOM 0 HG SER A 65 8.834 -2.082 6.203 1.00 10.56 H new ATOM 1046 N THR A 66 5.966 -4.815 6.285 1.00 4.48 N ATOM 1047 CA THR A 66 4.479 -4.824 6.378 1.00 3.80 C ATOM 1048 C THR A 66 3.900 -3.441 6.219 1.00 4.60 C ATOM 1049 O THR A 66 4.307 -2.497 6.897 1.00 5.33 O ATOM 1050 CB THR A 66 3.836 -5.424 7.671 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.201 -6.775 7.738 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.313 -5.382 7.594 1.00 3.40 C ATOM 0 H THR A 66 6.395 -4.486 7.150 1.00 4.48 H new ATOM 0 HA THR A 66 4.227 -5.496 5.558 1.00 3.80 H new ATOM 0 HB THR A 66 4.175 -4.849 8.533 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.813 -7.179 8.542 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.891 -5.805 8.505 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.982 -4.349 7.487 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.976 -5.962 6.735 1.00 3.40 H new ATOM 1060 N LEU A 67 2.894 -3.257 5.322 1.00 4.17 N ATOM 1061 CA LEU A 67 2.103 -2.061 5.174 1.00 3.85 C ATOM 1062 C LEU A 67 0.611 -2.329 5.531 1.00 3.80 C ATOM 1063 O LEU A 67 0.092 -3.392 5.393 1.00 5.54 O ATOM 1064 CB LEU A 67 2.052 -1.467 3.728 1.00 7.18 C ATOM 1065 CG LEU A 67 3.370 -1.405 3.027 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.144 -0.755 1.665 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.458 -0.692 3.820 1.00 11.66 C ATOM 0 H LEU A 67 2.621 -3.987 4.665 1.00 4.17 H new ATOM 0 HA LEU A 67 2.602 -1.359 5.843 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.366 -2.066 3.129 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.636 -0.461 3.779 1.00 7.18 H new ATOM 0 HG LEU A 67 3.747 -2.421 2.911 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.091 -0.696 1.128 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.437 -1.353 1.089 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.742 0.249 1.803 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.384 -0.688 3.245 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.150 0.335 4.019 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.619 -1.212 4.765 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.085 -1.350 6.168 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.370 -1.590 6.735 1.00 4.17 C ATOM 1081 C HIS A 68 -2.445 -0.885 5.864 1.00 5.32 C ATOM 1082 O HIS A 68 -2.423 0.378 5.750 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.411 -1.039 8.194 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.323 -1.647 9.108 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.901 -1.090 9.235 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.394 -2.757 9.891 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.569 -1.941 10.042 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.786 -2.949 10.495 1.00 16.30 N ATOM 0 H HIS A 68 0.254 -0.395 6.284 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.571 -2.661 6.761 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.291 0.044 8.169 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.392 -1.242 8.624 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.242 -0.225 8.817 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.265 -3.385 10.007 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.612 -1.830 10.298 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.288 -1.790 5.269 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.328 -1.398 4.364 1.00 3.97 C ATOM 1098 C LEU A 69 -5.598 -0.822 4.998 1.00 5.07 C ATOM 1099 O LEU A 69 -6.220 -1.481 5.835 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.687 -2.622 3.542 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.787 -2.429 2.486 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.456 -1.459 1.298 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.136 -3.817 1.932 1.00 9.96 C ATOM 0 H LEU A 69 -3.235 -2.796 5.427 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.929 -0.573 3.774 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.786 -2.973 3.039 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.001 -3.413 4.223 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.616 -1.941 2.997 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.309 -1.407 0.622 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.242 -0.464 1.689 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.586 -1.831 0.756 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.916 -3.722 1.177 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.249 -4.263 1.483 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.491 -4.453 2.742 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.926 0.450 4.649 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.073 1.199 5.249 1.00 6.26 C ATOM 1117 C VAL A 70 -7.824 1.839 4.116 1.00 9.22 C ATOM 1118 O VAL A 70 -7.314 2.030 3.011 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.607 2.292 6.223 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.056 1.541 7.446 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.591 3.312 5.574 1.00 8.54 C ATOM 0 H VAL A 70 -5.410 0.985 3.950 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.694 0.506 5.817 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.429 2.944 6.517 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.704 2.260 8.186 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.845 0.928 7.882 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.228 0.902 7.138 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.301 4.058 6.314 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.705 2.776 5.233 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.064 3.807 4.726 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.082 2.098 4.351 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.997 2.711 3.407 1.00 16.06 C ATOM 1133 C LEU A 71 -10.038 4.203 3.590 1.00 18.09 C ATOM 1134 O LEU A 71 -10.114 4.709 4.690 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.417 2.043 3.490 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.569 0.564 3.119 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.584 0.039 2.017 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.366 -0.275 4.345 1.00 19.57 C ATOM 0 H LEU A 71 -9.524 1.880 5.244 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.629 2.534 2.396 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.778 2.164 4.512 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.086 2.613 2.846 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.573 0.481 2.703 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.777 -1.018 1.830 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.734 0.603 1.097 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.556 0.166 2.357 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.473 -1.329 4.087 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.367 -0.099 4.745 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.110 -0.008 5.096 1.00 19.57 H new