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 7 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0314 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 179:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -12:sc= 0.997 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00718) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.3 (180deg=0.967) USER MOD Single : A 2 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.02) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 2.07 (180deg=0.0655) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.1) USER MOD Single : A 31 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc=-0.00384 K(o=-0.0038,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.562 K(o=0.56,f=-5.9!) USER MOD Single : A 55 THR OG1 : rot -58:sc= 0.99 USER MOD Single : A 57 SER OG : rot 65:sc= 1.07 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.881 USER MOD Single : A 60 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0.0168 K(o=0.017,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.783) USER MOD Single : A 65 SER OG : rot -113:sc= 0.919 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 13.083 -4.228 -3.895 1.00 0.78 N ATOM 2 CA MET A 1 12.855 -4.873 -2.582 1.00 0.70 C ATOM 3 C MET A 1 11.497 -5.477 -2.481 1.00 0.62 C ATOM 4 O MET A 1 10.707 -5.366 -3.417 1.00 0.68 O ATOM 5 CB MET A 1 13.118 -3.815 -1.498 1.00 0.75 C ATOM 6 CG MET A 1 12.261 -2.549 -1.558 1.00 0.79 C ATOM 7 SD MET A 1 12.763 -1.443 -0.205 1.00 1.10 S ATOM 8 CE MET A 1 11.482 -0.186 -0.484 1.00 0.84 C ATOM 0 H1 MET A 1 13.757 -3.444 -3.784 1.00 0.78 H new ATOM 0 H2 MET A 1 13.470 -4.926 -4.562 1.00 0.78 H new ATOM 0 H3 MET A 1 12.182 -3.860 -4.262 1.00 0.78 H new ATOM 0 HA MET A 1 13.539 -5.711 -2.449 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.971 -4.281 -0.524 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.166 -3.521 -1.556 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.388 -2.052 -2.520 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.205 -2.803 -1.467 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.636 0.648 0.201 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.542 0.172 -1.512 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.499 -0.623 -0.309 1.00 0.84 H new ATOM 20 N GLN A 2 11.144 -6.247 -1.436 1.00 0.59 N ATOM 21 CA GLN A 2 9.840 -6.808 -1.268 1.00 0.56 C ATOM 22 C GLN A 2 9.222 -6.059 -0.138 1.00 0.50 C ATOM 23 O GLN A 2 9.840 -5.838 0.904 1.00 0.60 O ATOM 24 CB GLN A 2 9.845 -8.334 -1.072 1.00 0.71 C ATOM 25 CG GLN A 2 10.726 -8.840 0.072 1.00 1.15 C ATOM 26 CD GLN A 2 10.685 -10.360 0.139 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.141 -11.021 1.022 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.151 -11.031 -0.948 1.00 1.72 N ATOM 0 H GLN A 2 11.788 -6.487 -0.683 1.00 0.59 H new ATOM 0 HA GLN A 2 9.248 -6.694 -2.176 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.822 -8.665 -0.895 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.176 -8.802 -1.999 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.752 -8.503 -0.074 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.384 -8.418 1.017 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.609 -10.522 -1.704 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.043 -12.043 -1.007 1.00 1.72 H new ATOM 37 N ILE A 3 7.916 -5.763 -0.266 1.00 0.44 N ATOM 38 CA ILE A 3 7.132 -5.171 0.773 1.00 0.42 C ATOM 39 C ILE A 3 5.915 -6.019 0.920 1.00 0.40 C ATOM 40 O ILE A 3 5.390 -6.597 -0.031 1.00 0.50 O ATOM 41 CB ILE A 3 6.833 -3.704 0.689 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.046 -3.380 -0.592 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.130 -2.890 0.833 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.689 -1.894 -0.633 1.00 0.72 C ATOM 0 H ILE A 3 7.389 -5.942 -1.121 1.00 0.44 H new ATOM 0 HA ILE A 3 7.747 -5.165 1.673 1.00 0.42 H new ATOM 0 HB ILE A 3 6.188 -3.414 1.519 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.639 -3.643 -1.468 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.137 -3.981 -0.631 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.901 -1.826 0.770 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.590 -3.106 1.797 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.820 -3.160 0.033 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.132 -1.679 -1.545 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.077 -1.643 0.234 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.603 -1.300 -0.617 1.00 0.72 H new ATOM 56 N PHE A 4 5.311 -6.037 2.121 1.00 0.37 N ATOM 57 CA PHE A 4 4.128 -6.804 2.362 1.00 0.38 C ATOM 58 C PHE A 4 2.884 -6.008 2.557 1.00 0.39 C ATOM 59 O PHE A 4 2.706 -5.305 3.551 1.00 0.60 O ATOM 60 CB PHE A 4 4.235 -7.570 3.691 1.00 0.45 C ATOM 61 CG PHE A 4 5.486 -8.373 3.787 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.732 -9.348 2.849 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.383 -8.179 4.812 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.760 -10.238 3.053 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.392 -9.073 5.084 1.00 1.40 C ATOM 66 CZ PHE A 4 7.550 -10.085 4.167 1.00 0.85 C ATOM 0 H PHE A 4 5.645 -5.516 2.932 1.00 0.37 H new ATOM 0 HA PHE A 4 4.061 -7.423 1.468 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.197 -6.862 4.519 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.374 -8.230 3.797 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.123 -9.414 1.960 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.292 -7.294 5.424 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.943 -11.040 2.353 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.018 -8.986 5.959 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.341 -10.802 4.332 1.00 0.85 H new ATOM 76 N VAL A 5 1.960 -5.959 1.580 1.00 0.35 N ATOM 77 CA VAL A 5 0.706 -5.283 1.698 1.00 0.35 C ATOM 78 C VAL A 5 -0.274 -6.320 2.130 1.00 0.35 C ATOM 79 O VAL A 5 -0.551 -7.295 1.434 1.00 0.46 O ATOM 80 CB VAL A 5 0.275 -4.683 0.392 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.097 -4.020 0.596 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.265 -3.638 -0.149 1.00 0.56 C ATOM 0 H VAL A 5 2.092 -6.408 0.674 1.00 0.35 H new ATOM 0 HA VAL A 5 0.778 -4.460 2.408 1.00 0.35 H new ATOM 0 HB VAL A 5 0.231 -5.486 -0.344 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.430 -3.577 -0.342 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.819 -4.770 0.919 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.016 -3.243 1.356 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.896 -3.242 -1.095 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.365 -2.825 0.570 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.237 -4.105 -0.306 1.00 0.56 H new ATOM 92 N LYS A 6 -0.846 -6.172 3.339 1.00 0.36 N ATOM 93 CA LYS A 6 -1.869 -7.018 3.869 1.00 0.39 C ATOM 94 C LYS A 6 -3.186 -6.383 3.583 1.00 0.46 C ATOM 95 O LYS A 6 -3.354 -5.182 3.376 1.00 0.53 O ATOM 96 CB LYS A 6 -1.715 -7.296 5.374 1.00 0.54 C ATOM 97 CG LYS A 6 -0.358 -7.903 5.732 1.00 1.22 C ATOM 98 CD LYS A 6 -0.191 -8.343 7.188 1.00 1.37 C ATOM 99 CE LYS A 6 -0.399 -9.786 7.653 1.00 1.93 C ATOM 100 NZ LYS A 6 0.478 -10.759 6.963 1.00 2.09 N ATOM 0 H LYS A 6 -0.580 -5.423 3.979 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.790 -7.992 3.386 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.848 -6.365 5.926 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.506 -7.973 5.696 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.186 -8.766 5.089 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.418 -7.173 5.501 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.822 -8.067 7.480 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.871 -7.727 7.777 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.219 -9.843 8.726 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.440 -10.066 7.489 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.299 -11.713 7.336 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.279 -10.743 5.942 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.473 -10.505 7.125 1.00 2.09 H new ATOM 114 N THR A 7 -4.222 -7.239 3.568 1.00 0.58 N ATOM 115 CA THR A 7 -5.578 -6.881 3.286 1.00 0.78 C ATOM 116 C THR A 7 -6.379 -6.865 4.542 1.00 0.94 C ATOM 117 O THR A 7 -5.852 -6.966 5.648 1.00 0.99 O ATOM 118 CB THR A 7 -6.222 -7.711 2.216 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.513 -9.074 2.493 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.473 -7.566 0.880 1.00 0.92 C ATOM 0 H THR A 7 -4.108 -8.234 3.763 1.00 0.58 H new ATOM 0 HA THR A 7 -5.554 -5.873 2.871 1.00 0.78 H new ATOM 0 HB THR A 7 -7.219 -7.275 2.160 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.930 -9.486 1.708 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.961 -8.178 0.121 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.486 -6.522 0.567 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.441 -7.895 1.004 1.00 0.92 H new ATOM 128 N LEU A 8 -7.716 -6.722 4.544 1.00 1.17 N ATOM 129 CA LEU A 8 -8.585 -6.843 5.673 1.00 1.39 C ATOM 130 C LEU A 8 -9.022 -8.238 5.962 1.00 1.44 C ATOM 131 O LEU A 8 -9.119 -8.552 7.148 1.00 1.60 O ATOM 132 CB LEU A 8 -9.824 -5.934 5.607 1.00 1.66 C ATOM 133 CG LEU A 8 -9.520 -4.427 5.565 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.798 -3.622 5.269 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.780 -3.969 6.834 1.00 2.43 C ATOM 0 H LEU A 8 -8.228 -6.505 3.689 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.953 -6.508 6.495 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.403 -6.198 4.722 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.453 -6.139 6.473 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.836 -4.228 4.740 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.560 -2.558 5.244 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.204 -3.926 4.304 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.536 -3.811 6.049 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.580 -2.899 6.773 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.397 -4.173 7.709 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.838 -4.510 6.921 1.00 2.43 H new ATOM 147 N THR A 9 -9.280 -9.104 4.966 1.00 1.41 N ATOM 148 CA THR A 9 -9.793 -10.426 5.147 1.00 1.51 C ATOM 149 C THR A 9 -8.622 -11.260 5.535 1.00 1.37 C ATOM 150 O THR A 9 -8.675 -11.918 6.573 1.00 1.62 O ATOM 151 CB THR A 9 -10.633 -10.829 3.972 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.834 -10.624 2.817 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.948 -10.036 3.882 1.00 2.08 C ATOM 0 H THR A 9 -9.123 -8.870 3.986 1.00 1.41 H new ATOM 0 HA THR A 9 -10.518 -10.545 5.952 1.00 1.51 H new ATOM 0 HB THR A 9 -10.934 -11.872 4.072 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.343 -10.877 2.018 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.515 -10.370 3.013 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.536 -10.202 4.785 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.726 -8.973 3.784 1.00 2.08 H new ATOM 161 N GLY A 10 -7.556 -11.250 4.716 1.00 1.18 N ATOM 162 CA GLY A 10 -6.344 -11.885 5.131 1.00 1.22 C ATOM 163 C GLY A 10 -5.283 -12.201 4.134 1.00 0.99 C ATOM 164 O GLY A 10 -4.437 -13.048 4.418 1.00 1.31 O ATOM 0 H GLY A 10 -7.530 -10.816 3.793 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.892 -11.251 5.894 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.620 -12.821 5.617 1.00 1.22 H new ATOM 168 N LYS A 11 -5.243 -11.486 2.995 1.00 0.73 N ATOM 169 CA LYS A 11 -4.262 -11.720 1.981 1.00 0.60 C ATOM 170 C LYS A 11 -3.030 -10.920 2.233 1.00 0.51 C ATOM 171 O LYS A 11 -3.169 -9.732 2.523 1.00 0.63 O ATOM 172 CB LYS A 11 -4.888 -11.401 0.614 1.00 0.75 C ATOM 173 CG LYS A 11 -3.989 -11.882 -0.528 1.00 0.87 C ATOM 174 CD LYS A 11 -4.607 -11.917 -1.927 1.00 1.04 C ATOM 175 CE LYS A 11 -3.560 -12.223 -2.999 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.125 -12.466 -4.345 1.00 1.40 N ATOM 0 H LYS A 11 -5.899 -10.737 2.775 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.955 -12.766 1.994 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.865 -11.878 0.538 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.050 -10.327 0.526 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.110 -11.239 -0.562 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.641 -12.886 -0.286 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.393 -12.672 -1.959 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.078 -10.958 -2.141 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.860 -11.390 -3.056 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.988 -13.099 -2.693 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.369 -12.397 -5.056 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.546 -13.416 -4.378 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.857 -11.756 -4.547 1.00 1.40 H new ATOM 190 N THR A 12 -1.840 -11.527 2.084 1.00 0.49 N ATOM 191 CA THR A 12 -0.635 -10.759 2.100 1.00 0.48 C ATOM 192 C THR A 12 -0.087 -10.762 0.713 1.00 0.52 C ATOM 193 O THR A 12 0.204 -11.802 0.124 1.00 0.72 O ATOM 194 CB THR A 12 0.425 -11.258 3.036 1.00 0.64 C ATOM 195 OG1 THR A 12 0.034 -11.463 4.386 1.00 0.77 O ATOM 196 CG2 THR A 12 1.614 -10.285 3.103 1.00 0.78 C ATOM 0 H THR A 12 -1.712 -12.531 1.955 1.00 0.49 H new ATOM 0 HA THR A 12 -0.898 -9.765 2.461 1.00 0.48 H new ATOM 0 HB THR A 12 0.671 -12.226 2.600 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.845 -11.057 4.537 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.365 -10.675 3.790 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.051 -10.176 2.111 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.269 -9.313 3.456 1.00 0.78 H new ATOM 204 N ILE A 13 -0.137 -9.563 0.106 1.00 0.48 N ATOM 205 CA ILE A 13 0.275 -9.320 -1.241 1.00 0.55 C ATOM 206 C ILE A 13 1.704 -8.911 -1.135 1.00 0.51 C ATOM 207 O ILE A 13 2.084 -7.817 -0.722 1.00 0.56 O ATOM 208 CB ILE A 13 -0.591 -8.328 -1.958 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.094 -8.449 -1.658 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.298 -8.391 -3.467 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.968 -7.377 -2.308 1.00 1.55 C ATOM 0 H ILE A 13 -0.480 -8.725 0.576 1.00 0.48 H new ATOM 0 HA ILE A 13 0.167 -10.209 -1.862 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.327 -7.344 -1.571 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.438 -9.428 -1.990 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.239 -8.410 -0.578 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.927 -7.670 -3.990 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.751 -8.153 -3.644 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.510 -9.394 -3.837 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.011 -7.545 -2.039 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.657 -6.393 -1.958 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.860 -7.427 -3.391 1.00 1.55 H new ATOM 223 N THR A 14 2.644 -9.800 -1.506 1.00 0.55 N ATOM 224 CA THR A 14 4.043 -9.506 -1.484 1.00 0.54 C ATOM 225 C THR A 14 4.347 -8.838 -2.780 1.00 0.55 C ATOM 226 O THR A 14 4.283 -9.496 -3.818 1.00 0.72 O ATOM 227 CB THR A 14 5.072 -10.592 -1.373 1.00 0.67 C ATOM 228 OG1 THR A 14 4.788 -11.506 -0.325 1.00 1.08 O ATOM 229 CG2 THR A 14 6.429 -9.942 -1.054 1.00 1.03 C ATOM 0 H THR A 14 2.427 -10.743 -1.828 1.00 0.55 H new ATOM 0 HA THR A 14 4.145 -8.953 -0.550 1.00 0.54 H new ATOM 0 HB THR A 14 5.076 -11.136 -2.317 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.485 -12.195 -0.294 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.192 -10.716 -0.969 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.699 -9.252 -1.854 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.359 -9.397 -0.113 1.00 1.03 H new ATOM 237 N LEU A 15 4.597 -7.517 -2.732 1.00 0.50 N ATOM 238 CA LEU A 15 4.867 -6.696 -3.872 1.00 0.55 C ATOM 239 C LEU A 15 6.310 -6.386 -4.077 1.00 0.52 C ATOM 240 O LEU A 15 7.005 -6.081 -3.109 1.00 0.58 O ATOM 241 CB LEU A 15 4.067 -5.384 -3.847 1.00 0.69 C ATOM 242 CG LEU A 15 2.534 -5.471 -3.947 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.085 -4.004 -3.847 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.037 -6.191 -5.211 1.00 1.55 C ATOM 0 H LEU A 15 4.612 -6.996 -1.855 1.00 0.50 H new ATOM 0 HA LEU A 15 4.543 -7.305 -4.716 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.312 -4.861 -2.923 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.421 -4.762 -4.669 1.00 0.69 H new ATOM 0 HG LEU A 15 2.101 -6.088 -3.160 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.998 -3.951 -3.908 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.416 -3.586 -2.896 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.522 -3.433 -4.666 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.947 -6.214 -5.212 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.390 -5.660 -6.095 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.421 -7.211 -5.223 1.00 1.55 H new ATOM 256 N GLU A 16 6.742 -6.313 -5.348 1.00 0.59 N ATOM 257 CA GLU A 16 8.092 -5.911 -5.594 1.00 0.63 C ATOM 258 C GLU A 16 8.153 -4.481 -6.009 1.00 0.65 C ATOM 259 O GLU A 16 7.601 -3.996 -6.996 1.00 0.81 O ATOM 260 CB GLU A 16 8.768 -6.779 -6.668 1.00 0.76 C ATOM 261 CG GLU A 16 9.089 -8.178 -6.136 1.00 1.41 C ATOM 262 CD GLU A 16 9.875 -9.069 -7.087 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.071 -8.821 -7.398 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.255 -10.015 -7.640 1.00 1.92 O ATOM 0 H GLU A 16 6.184 -6.523 -6.175 1.00 0.59 H new ATOM 0 HA GLU A 16 8.632 -6.044 -4.656 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.115 -6.860 -7.537 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.686 -6.296 -7.003 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.654 -8.076 -5.209 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.153 -8.678 -5.886 1.00 1.41 H new ATOM 271 N VAL A 17 8.867 -3.705 -5.174 1.00 0.61 N ATOM 272 CA VAL A 17 8.954 -2.279 -5.255 1.00 0.63 C ATOM 273 C VAL A 17 10.375 -1.837 -5.208 1.00 0.65 C ATOM 274 O VAL A 17 11.282 -2.497 -4.702 1.00 0.76 O ATOM 275 CB VAL A 17 8.194 -1.586 -4.163 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.827 -2.270 -3.992 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.954 -1.627 -2.826 1.00 0.92 C ATOM 0 H VAL A 17 9.411 -4.092 -4.403 1.00 0.61 H new ATOM 0 HA VAL A 17 8.502 -2.002 -6.207 1.00 0.63 H new ATOM 0 HB VAL A 17 8.069 -0.541 -4.446 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.268 -1.772 -3.200 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.269 -2.206 -4.926 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.975 -3.317 -3.729 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.371 -1.115 -2.060 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.112 -2.664 -2.529 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.918 -1.131 -2.940 1.00 0.92 H new ATOM 287 N GLU A 18 10.682 -0.623 -5.699 1.00 0.68 N ATOM 288 CA GLU A 18 11.890 0.030 -5.300 1.00 0.74 C ATOM 289 C GLU A 18 11.456 1.221 -4.516 1.00 0.71 C ATOM 290 O GLU A 18 10.271 1.547 -4.473 1.00 0.74 O ATOM 291 CB GLU A 18 12.554 0.538 -6.591 1.00 0.88 C ATOM 292 CG GLU A 18 13.059 -0.536 -7.555 1.00 1.16 C ATOM 293 CD GLU A 18 14.354 -1.174 -7.069 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.182 -0.490 -6.411 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.638 -2.316 -7.518 1.00 2.35 O ATOM 0 H GLU A 18 10.106 -0.101 -6.360 1.00 0.68 H new ATOM 0 HA GLU A 18 12.563 -0.613 -4.734 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.838 1.166 -7.121 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.395 1.175 -6.317 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.297 -1.306 -7.672 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.219 -0.094 -8.539 1.00 1.16 H new ATOM 302 N PRO A 19 12.325 1.930 -3.858 1.00 0.74 N ATOM 303 CA PRO A 19 11.937 2.918 -2.895 1.00 0.74 C ATOM 304 C PRO A 19 11.681 4.265 -3.478 1.00 0.70 C ATOM 305 O PRO A 19 11.184 5.146 -2.777 1.00 0.74 O ATOM 306 CB PRO A 19 13.080 2.934 -1.882 1.00 0.86 C ATOM 307 CG PRO A 19 14.302 2.285 -2.551 1.00 0.95 C ATOM 308 CD PRO A 19 13.572 1.290 -3.468 1.00 0.82 C ATOM 0 HA PRO A 19 10.979 2.663 -2.443 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.308 3.956 -1.577 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.801 2.387 -0.981 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.909 3.001 -3.105 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.962 1.793 -1.836 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.177 1.052 -4.343 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.381 0.351 -2.948 1.00 0.82 H new ATOM 316 N SER A 20 12.025 4.454 -4.764 1.00 0.70 N ATOM 317 CA SER A 20 11.808 5.558 -5.646 1.00 0.74 C ATOM 318 C SER A 20 10.497 5.583 -6.354 1.00 0.71 C ATOM 319 O SER A 20 10.185 6.541 -7.059 1.00 0.80 O ATOM 320 CB SER A 20 13.041 5.782 -6.538 1.00 0.89 C ATOM 321 OG SER A 20 13.174 4.722 -7.474 1.00 1.45 O ATOM 0 H SER A 20 12.532 3.716 -5.253 1.00 0.70 H new ATOM 0 HA SER A 20 11.702 6.439 -5.013 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.949 6.732 -7.065 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.937 5.846 -5.921 1.00 0.89 H new ATOM 0 HG SER A 20 13.961 4.879 -8.036 1.00 1.45 H new ATOM 327 N ASP A 21 9.572 4.627 -6.154 1.00 0.70 N ATOM 328 CA ASP A 21 8.223 4.704 -6.620 1.00 0.73 C ATOM 329 C ASP A 21 7.347 5.415 -5.646 1.00 0.64 C ATOM 330 O ASP A 21 7.528 5.338 -4.431 1.00 0.66 O ATOM 331 CB ASP A 21 7.817 3.247 -6.902 1.00 0.87 C ATOM 332 CG ASP A 21 8.507 2.762 -8.169 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.182 3.367 -9.225 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.364 1.839 -8.145 1.00 1.69 O ATOM 0 H ASP A 21 9.773 3.765 -5.647 1.00 0.70 H new ATOM 0 HA ASP A 21 8.118 5.300 -7.526 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.093 2.612 -6.060 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.735 3.175 -7.015 1.00 0.87 H new ATOM 339 N THR A 22 6.388 6.143 -6.244 1.00 0.63 N ATOM 340 CA THR A 22 5.291 6.728 -5.536 1.00 0.58 C ATOM 341 C THR A 22 4.456 5.712 -4.835 1.00 0.53 C ATOM 342 O THR A 22 4.411 4.519 -5.129 1.00 0.58 O ATOM 343 CB THR A 22 4.399 7.584 -6.385 1.00 0.63 C ATOM 344 OG1 THR A 22 3.783 6.814 -7.406 1.00 0.70 O ATOM 345 CG2 THR A 22 5.199 8.707 -7.067 1.00 0.75 C ATOM 0 H THR A 22 6.374 6.330 -7.247 1.00 0.63 H new ATOM 0 HA THR A 22 5.773 7.374 -4.802 1.00 0.58 H new ATOM 0 HB THR A 22 3.644 8.009 -5.724 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.205 7.391 -7.947 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.529 9.313 -7.677 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.665 9.334 -6.307 1.00 0.75 H new ATOM 0 HG23 THR A 22 5.971 8.271 -7.701 1.00 0.75 H new ATOM 353 N ILE A 23 3.761 6.163 -3.775 1.00 0.51 N ATOM 354 CA ILE A 23 2.757 5.407 -3.093 1.00 0.48 C ATOM 355 C ILE A 23 1.591 5.086 -3.966 1.00 0.48 C ATOM 356 O ILE A 23 1.128 3.949 -3.905 1.00 0.51 O ATOM 357 CB ILE A 23 2.406 5.980 -1.752 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.742 6.060 -0.996 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.188 5.207 -1.219 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.631 6.082 0.528 1.00 0.73 C ATOM 0 H ILE A 23 3.904 7.091 -3.378 1.00 0.51 H new ATOM 0 HA ILE A 23 3.195 4.437 -2.858 1.00 0.48 H new ATOM 0 HB ILE A 23 2.025 6.999 -1.684 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.356 5.208 -1.287 1.00 0.60 H new ATOM 0 HG13 ILE A 23 4.269 6.958 -1.318 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.906 5.600 -0.242 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.353 5.321 -1.911 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.440 4.151 -1.126 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.628 6.139 0.965 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.049 6.950 0.838 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.137 5.173 0.870 1.00 0.73 H new ATOM 372 N GLU A 24 1.169 5.998 -4.860 1.00 0.50 N ATOM 373 CA GLU A 24 0.272 5.693 -5.931 1.00 0.53 C ATOM 374 C GLU A 24 0.685 4.551 -6.795 1.00 0.50 C ATOM 375 O GLU A 24 -0.144 3.736 -7.197 1.00 0.55 O ATOM 376 CB GLU A 24 0.016 6.990 -6.718 1.00 0.64 C ATOM 377 CG GLU A 24 -0.722 6.769 -8.040 1.00 0.95 C ATOM 378 CD GLU A 24 -0.899 8.041 -8.856 1.00 1.05 C ATOM 379 OE1 GLU A 24 -1.692 8.920 -8.423 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.236 8.197 -9.916 1.00 1.62 O ATOM 0 H GLU A 24 1.460 6.975 -4.837 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.659 5.327 -5.499 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.564 7.673 -6.098 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.970 7.476 -6.921 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.174 6.038 -8.635 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.703 6.340 -7.832 1.00 0.95 H new ATOM 387 N ASN A 25 1.984 4.435 -7.125 1.00 0.51 N ATOM 388 CA ASN A 25 2.444 3.289 -7.847 1.00 0.52 C ATOM 389 C ASN A 25 2.283 1.948 -7.219 1.00 0.47 C ATOM 390 O ASN A 25 2.070 0.943 -7.895 1.00 0.53 O ATOM 391 CB ASN A 25 3.902 3.489 -8.293 1.00 0.64 C ATOM 392 CG ASN A 25 3.864 4.227 -9.625 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.149 5.212 -9.800 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.575 3.637 -10.623 1.00 1.57 N ATOM 0 H ASN A 25 2.704 5.120 -6.897 1.00 0.51 H new ATOM 0 HA ASN A 25 1.756 3.248 -8.691 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.457 4.062 -7.550 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.408 2.529 -8.398 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.530 4.011 -11.571 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.153 2.821 -10.423 1.00 1.57 H new ATOM 401 N VAL A 26 2.386 1.935 -5.878 1.00 0.45 N ATOM 402 CA VAL A 26 2.283 0.700 -5.164 1.00 0.44 C ATOM 403 C VAL A 26 0.878 0.204 -5.194 1.00 0.40 C ATOM 404 O VAL A 26 0.599 -0.971 -5.427 1.00 0.44 O ATOM 405 CB VAL A 26 3.006 0.752 -3.851 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.928 -0.633 -3.186 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.451 1.231 -4.070 1.00 0.62 C ATOM 0 H VAL A 26 2.537 2.760 -5.298 1.00 0.45 H new ATOM 0 HA VAL A 26 2.831 -0.097 -5.666 1.00 0.44 H new ATOM 0 HB VAL A 26 2.538 1.470 -3.177 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.451 -0.607 -2.230 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.884 -0.900 -3.022 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.394 -1.375 -3.835 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.971 1.267 -3.113 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.966 0.540 -4.737 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.441 2.226 -4.515 1.00 0.62 H new ATOM 417 N LYS A 27 -0.124 1.100 -5.141 1.00 0.40 N ATOM 418 CA LYS A 27 -1.543 0.958 -5.253 1.00 0.41 C ATOM 419 C LYS A 27 -2.001 0.608 -6.628 1.00 0.38 C ATOM 420 O LYS A 27 -2.924 -0.158 -6.896 1.00 0.42 O ATOM 421 CB LYS A 27 -2.312 2.236 -4.880 1.00 0.51 C ATOM 422 CG LYS A 27 -1.990 2.798 -3.493 1.00 0.76 C ATOM 423 CD LYS A 27 -2.882 3.951 -3.030 1.00 0.82 C ATOM 424 CE LYS A 27 -2.902 5.317 -3.718 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.059 6.133 -3.289 1.00 1.11 N ATOM 0 H LYS A 27 0.108 2.083 -4.995 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.758 0.149 -4.554 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.098 3.002 -5.625 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.381 2.029 -4.933 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.063 1.989 -2.766 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.954 3.138 -3.489 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.906 3.578 -3.053 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.633 4.135 -1.985 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.978 5.850 -3.493 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.936 5.179 -4.799 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.323 6.789 -4.051 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.863 5.509 -3.075 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.805 6.675 -2.438 1.00 1.11 H new ATOM 439 N ALA A 28 -1.196 0.950 -7.648 1.00 0.39 N ATOM 440 CA ALA A 28 -1.368 0.636 -9.033 1.00 0.39 C ATOM 441 C ALA A 28 -1.052 -0.792 -9.316 1.00 0.36 C ATOM 442 O ALA A 28 -1.567 -1.515 -10.168 1.00 0.42 O ATOM 443 CB ALA A 28 -0.565 1.648 -9.867 1.00 0.51 C ATOM 0 H ALA A 28 -0.349 1.495 -7.488 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.414 0.735 -9.322 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.685 1.423 -10.927 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.930 2.655 -9.666 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.490 1.584 -9.600 1.00 0.51 H new ATOM 449 N LYS A 29 -0.074 -1.370 -8.597 1.00 0.39 N ATOM 450 CA LYS A 29 0.304 -2.742 -8.748 1.00 0.43 C ATOM 451 C LYS A 29 -0.698 -3.739 -8.279 1.00 0.44 C ATOM 452 O LYS A 29 -0.685 -4.841 -8.824 1.00 0.54 O ATOM 453 CB LYS A 29 1.537 -2.982 -7.861 1.00 0.54 C ATOM 454 CG LYS A 29 2.739 -2.305 -8.522 1.00 0.65 C ATOM 455 CD LYS A 29 4.081 -2.428 -7.796 1.00 1.08 C ATOM 456 CE LYS A 29 5.005 -1.232 -8.044 1.00 1.24 C ATOM 457 NZ LYS A 29 5.204 -1.013 -9.494 1.00 1.44 N ATOM 0 H LYS A 29 0.469 -0.871 -7.892 1.00 0.39 H new ATOM 0 HA LYS A 29 0.449 -2.885 -9.819 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.373 -2.575 -6.863 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.719 -4.050 -7.744 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.855 -2.719 -9.524 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.511 -1.246 -8.639 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.901 -2.526 -6.725 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.581 -3.341 -8.120 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.578 -0.337 -7.592 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.967 -1.404 -7.562 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.948 -0.301 -9.639 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.488 -1.906 -9.944 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.316 -0.678 -9.920 1.00 1.44 H new ATOM 471 N ILE A 30 -1.571 -3.376 -7.322 1.00 0.41 N ATOM 472 CA ILE A 30 -2.737 -4.009 -6.787 1.00 0.44 C ATOM 473 C ILE A 30 -3.851 -4.074 -7.774 1.00 0.45 C ATOM 474 O ILE A 30 -4.556 -5.065 -7.956 1.00 0.56 O ATOM 475 CB ILE A 30 -3.124 -3.441 -5.454 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.930 -3.354 -4.489 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.233 -4.345 -4.890 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.234 -3.022 -3.027 1.00 1.32 C ATOM 0 H ILE A 30 -1.426 -2.484 -6.848 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.482 -5.050 -6.589 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.477 -2.417 -5.573 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.404 -4.308 -4.516 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.242 -2.600 -4.870 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.548 -3.970 -3.916 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.084 -4.346 -5.572 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.854 -5.361 -4.782 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.304 -2.992 -2.460 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.725 -2.051 -2.969 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.890 -3.786 -2.609 1.00 1.32 H new ATOM 490 N GLN A 31 -4.024 -2.991 -8.554 1.00 0.41 N ATOM 491 CA GLN A 31 -5.012 -2.872 -9.581 1.00 0.48 C ATOM 492 C GLN A 31 -4.966 -3.850 -10.703 1.00 0.52 C ATOM 493 O GLN A 31 -6.022 -4.311 -11.132 1.00 0.66 O ATOM 494 CB GLN A 31 -4.910 -1.525 -10.317 1.00 0.52 C ATOM 495 CG GLN A 31 -6.080 -1.145 -11.228 1.00 0.70 C ATOM 496 CD GLN A 31 -5.842 0.219 -11.860 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.718 0.715 -11.814 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.801 0.700 -12.696 1.00 1.43 N ATOM 0 H GLN A 31 -3.445 -2.156 -8.463 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.916 -3.028 -8.992 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.791 -0.739 -9.571 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.001 -1.535 -10.918 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.201 -1.897 -12.007 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.006 -1.130 -10.653 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.725 0.269 -12.713 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.596 1.492 -13.306 1.00 1.43 H new ATOM 507 N ASP A 32 -3.760 -4.250 -11.147 1.00 0.50 N ATOM 508 CA ASP A 32 -3.587 -5.417 -11.955 1.00 0.60 C ATOM 509 C ASP A 32 -4.041 -6.679 -11.307 1.00 0.65 C ATOM 510 O ASP A 32 -4.799 -7.392 -11.963 1.00 0.81 O ATOM 511 CB ASP A 32 -2.084 -5.655 -12.181 1.00 0.67 C ATOM 512 CG ASP A 32 -1.434 -4.570 -13.028 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.198 -3.779 -13.643 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.195 -4.530 -13.255 1.00 1.55 O ATOM 0 H ASP A 32 -2.892 -3.755 -10.942 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.169 -5.221 -12.856 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.580 -5.706 -11.216 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.943 -6.621 -12.666 1.00 0.67 H new ATOM 519 N LYS A 33 -3.472 -7.004 -10.131 1.00 0.62 N ATOM 520 CA LYS A 33 -3.801 -8.217 -9.450 1.00 0.73 C ATOM 521 C LYS A 33 -5.204 -8.408 -8.986 1.00 0.69 C ATOM 522 O LYS A 33 -5.862 -9.373 -9.371 1.00 0.83 O ATOM 523 CB LYS A 33 -2.828 -8.563 -8.310 1.00 0.85 C ATOM 524 CG LYS A 33 -1.317 -8.538 -8.552 1.00 1.31 C ATOM 525 CD LYS A 33 -0.514 -9.176 -7.416 1.00 1.71 C ATOM 526 CE LYS A 33 1.014 -9.196 -7.368 1.00 2.26 C ATOM 527 NZ LYS A 33 1.528 -9.629 -8.688 1.00 2.62 N ATOM 0 H LYS A 33 -2.783 -6.425 -9.652 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.688 -8.924 -10.272 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.035 -7.876 -7.489 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.083 -9.564 -7.961 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.096 -9.061 -9.483 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.993 -7.505 -8.682 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.843 -8.690 -6.498 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.836 -10.216 -7.359 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.397 -8.206 -7.120 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.358 -9.875 -6.588 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.568 -9.646 -8.667 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.170 -10.581 -8.905 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.208 -8.964 -9.421 1.00 2.62 H new ATOM 541 N GLU A 34 -5.766 -7.582 -8.086 1.00 0.63 N ATOM 542 CA GLU A 34 -7.033 -7.751 -7.444 1.00 0.67 C ATOM 543 C GLU A 34 -8.083 -7.022 -8.211 1.00 0.69 C ATOM 544 O GLU A 34 -9.235 -7.452 -8.240 1.00 0.95 O ATOM 545 CB GLU A 34 -6.917 -7.256 -5.993 1.00 0.73 C ATOM 546 CG GLU A 34 -5.924 -7.920 -5.037 1.00 0.83 C ATOM 547 CD GLU A 34 -6.281 -9.396 -4.936 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.441 -9.643 -4.511 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.379 -10.270 -5.049 1.00 1.48 O ATOM 0 H GLU A 34 -5.296 -6.729 -7.784 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.323 -8.801 -7.422 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.671 -6.195 -6.031 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.906 -7.338 -5.542 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.904 -7.799 -5.403 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.968 -7.449 -4.055 1.00 0.83 H new ATOM 556 N GLY A 35 -7.704 -5.896 -8.840 1.00 0.63 N ATOM 557 CA GLY A 35 -8.664 -5.283 -9.705 1.00 0.68 C ATOM 558 C GLY A 35 -9.366 -4.093 -9.148 1.00 0.76 C ATOM 559 O GLY A 35 -10.386 -3.680 -9.699 1.00 1.12 O ATOM 0 H GLY A 35 -6.798 -5.434 -8.761 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.160 -4.987 -10.625 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.411 -6.029 -9.976 1.00 0.68 H new ATOM 563 N ILE A 36 -8.793 -3.523 -8.073 1.00 0.70 N ATOM 564 CA ILE A 36 -9.348 -2.365 -7.444 1.00 0.76 C ATOM 565 C ILE A 36 -8.784 -1.121 -8.041 1.00 0.71 C ATOM 566 O ILE A 36 -7.567 -1.220 -8.193 1.00 0.73 O ATOM 567 CB ILE A 36 -9.015 -2.351 -5.981 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.279 -3.706 -5.303 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.879 -1.262 -5.323 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.446 -3.865 -4.032 1.00 1.16 C ATOM 0 H ILE A 36 -7.938 -3.868 -7.636 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.427 -2.402 -7.591 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.951 -2.148 -5.863 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.338 -3.792 -5.059 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.045 -4.513 -5.997 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.664 -1.222 -4.255 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.653 -0.296 -5.775 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.933 -1.495 -5.472 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.657 -4.833 -3.578 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.387 -3.804 -4.281 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.700 -3.072 -3.329 1.00 1.16 H new ATOM 582 N PRO A 37 -9.432 -0.071 -8.447 1.00 0.75 N ATOM 583 CA PRO A 37 -8.739 1.122 -8.840 1.00 0.79 C ATOM 584 C PRO A 37 -7.842 1.747 -7.827 1.00 0.75 C ATOM 585 O PRO A 37 -8.349 1.759 -6.707 1.00 0.75 O ATOM 586 CB PRO A 37 -9.883 2.119 -8.996 1.00 0.95 C ATOM 587 CG PRO A 37 -11.054 1.256 -9.492 1.00 1.02 C ATOM 588 CD PRO A 37 -10.874 -0.005 -8.631 1.00 0.85 C ATOM 0 HA PRO A 37 -8.106 0.880 -9.694 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.119 2.609 -8.051 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.635 2.905 -9.709 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.019 1.735 -9.325 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.985 1.041 -10.558 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.399 0.077 -7.679 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.258 -0.894 -9.131 1.00 0.85 H new ATOM 596 N PRO A 38 -6.732 2.383 -8.056 1.00 0.81 N ATOM 597 CA PRO A 38 -5.837 2.889 -7.057 1.00 0.85 C ATOM 598 C PRO A 38 -6.271 4.180 -6.453 1.00 0.89 C ATOM 599 O PRO A 38 -5.734 4.493 -5.391 1.00 0.99 O ATOM 600 CB PRO A 38 -4.501 3.031 -7.783 1.00 1.01 C ATOM 601 CG PRO A 38 -4.916 3.345 -9.229 1.00 1.25 C ATOM 602 CD PRO A 38 -6.188 2.499 -9.401 1.00 0.98 C ATOM 0 HA PRO A 38 -5.792 2.213 -6.203 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -3.894 3.830 -7.356 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.912 2.116 -7.723 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.113 4.407 -9.373 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.142 3.064 -9.943 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.896 2.980 -10.076 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.960 1.520 -9.823 1.00 0.98 H new ATOM 610 N ASP A 39 -7.253 4.892 -7.035 1.00 0.96 N ATOM 611 CA ASP A 39 -7.938 5.981 -6.412 1.00 1.11 C ATOM 612 C ASP A 39 -8.702 5.590 -5.194 1.00 1.00 C ATOM 613 O ASP A 39 -8.911 6.411 -4.303 1.00 1.14 O ATOM 614 CB ASP A 39 -8.601 6.908 -7.444 1.00 1.39 C ATOM 615 CG ASP A 39 -9.719 6.215 -8.210 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.327 5.285 -8.966 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.924 6.580 -8.159 1.00 2.25 O ATOM 0 H ASP A 39 -7.583 4.700 -7.981 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.205 6.646 -5.955 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.001 7.786 -6.936 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -7.848 7.263 -8.147 1.00 1.39 H new ATOM 622 N GLN A 40 -9.206 4.343 -5.202 1.00 0.87 N ATOM 623 CA GLN A 40 -10.028 3.823 -4.153 1.00 0.84 C ATOM 624 C GLN A 40 -9.249 3.351 -2.973 1.00 0.67 C ATOM 625 O GLN A 40 -9.720 3.239 -1.842 1.00 0.80 O ATOM 626 CB GLN A 40 -11.087 2.819 -4.637 1.00 0.95 C ATOM 627 CG GLN A 40 -11.930 3.433 -5.757 1.00 1.32 C ATOM 628 CD GLN A 40 -12.958 2.442 -6.284 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.940 1.280 -5.881 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.785 2.891 -7.266 1.00 2.02 N ATOM 0 H GLN A 40 -9.038 3.679 -5.957 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.603 4.676 -3.792 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.601 1.912 -4.995 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.730 2.530 -3.806 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.437 4.324 -5.386 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.279 3.752 -6.571 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.750 3.869 -7.555 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.440 2.250 -7.714 1.00 2.02 H new ATOM 639 N GLN A 41 -8.007 2.967 -3.318 1.00 0.56 N ATOM 640 CA GLN A 41 -7.071 2.348 -2.431 1.00 0.51 C ATOM 641 C GLN A 41 -6.320 3.365 -1.643 1.00 0.49 C ATOM 642 O GLN A 41 -5.954 4.462 -2.064 1.00 0.65 O ATOM 643 CB GLN A 41 -6.022 1.516 -3.188 1.00 0.67 C ATOM 644 CG GLN A 41 -6.770 0.346 -3.830 1.00 0.69 C ATOM 645 CD GLN A 41 -5.757 -0.577 -4.492 1.00 0.56 C ATOM 646 OE1 GLN A 41 -5.007 -1.272 -3.809 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.749 -0.579 -5.851 1.00 0.61 N ATOM 0 H GLN A 41 -7.638 3.094 -4.260 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.665 1.707 -1.780 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.523 2.119 -3.946 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.250 1.156 -2.508 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.340 -0.197 -3.076 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.485 0.713 -4.567 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.395 0.019 -6.366 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -5.097 -1.179 -6.356 1.00 0.61 H new ATOM 656 N ARG A 42 -6.070 2.996 -0.374 1.00 0.47 N ATOM 657 CA ARG A 42 -5.218 3.742 0.499 1.00 0.55 C ATOM 658 C ARG A 42 -4.421 2.852 1.390 1.00 0.46 C ATOM 659 O ARG A 42 -4.883 1.760 1.718 1.00 0.52 O ATOM 660 CB ARG A 42 -5.976 4.827 1.284 1.00 0.73 C ATOM 661 CG ARG A 42 -5.371 5.369 2.581 1.00 1.04 C ATOM 662 CD ARG A 42 -6.251 6.487 3.144 1.00 1.28 C ATOM 663 NE ARG A 42 -6.110 7.744 2.356 1.00 1.69 N ATOM 664 CZ ARG A 42 -6.673 8.948 2.667 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.417 9.060 3.806 1.00 2.34 N ATOM 666 NH2 ARG A 42 -6.523 10.018 1.833 1.00 2.78 N ATOM 0 H ARG A 42 -6.469 2.161 0.055 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.509 4.272 -0.138 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.126 5.673 0.613 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.963 4.430 1.523 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.278 4.566 3.312 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -4.366 5.746 2.393 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.293 6.168 3.139 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -5.981 6.676 4.183 1.00 1.28 H new ATOM 0 HE ARG A 42 -5.543 7.701 1.509 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.546 8.250 4.412 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.844 9.954 4.051 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -5.987 9.921 0.970 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -6.947 10.914 2.072 1.00 2.78 H new ATOM 680 N LEU A 43 -3.153 3.199 1.675 1.00 0.46 N ATOM 681 CA LEU A 43 -2.306 2.387 2.493 1.00 0.42 C ATOM 682 C LEU A 43 -2.216 3.071 3.814 1.00 0.43 C ATOM 683 O LEU A 43 -2.240 4.290 3.979 1.00 0.55 O ATOM 684 CB LEU A 43 -0.959 2.210 1.773 1.00 0.55 C ATOM 685 CG LEU A 43 -1.008 1.409 0.461 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.372 1.496 -0.212 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.398 -0.070 0.622 1.00 1.12 C ATOM 0 H LEU A 43 -2.710 4.052 1.334 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.686 1.380 2.663 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.548 3.197 1.560 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.265 1.716 2.454 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.795 1.857 -0.145 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.358 0.933 -1.145 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.610 2.539 -0.421 1.00 1.17 H new ATOM 0 HD13 LEU A 43 1.128 1.077 0.452 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.406 -0.553 -0.355 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.675 -0.569 1.267 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.390 -0.138 1.068 1.00 1.12 H new ATOM 699 N ILE A 44 -2.107 2.235 4.863 1.00 0.42 N ATOM 700 CA ILE A 44 -1.891 2.555 6.239 1.00 0.46 C ATOM 701 C ILE A 44 -0.597 1.899 6.576 1.00 0.42 C ATOM 702 O ILE A 44 -0.209 0.873 6.019 1.00 0.53 O ATOM 703 CB ILE A 44 -3.033 2.119 7.108 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.177 3.145 7.041 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.619 1.746 8.542 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.523 2.669 7.587 1.00 1.27 C ATOM 0 H ILE A 44 -2.179 1.227 4.728 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.842 3.629 6.416 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.409 1.180 6.702 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.876 4.035 7.593 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.312 3.445 6.002 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.500 1.442 9.107 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.905 0.923 8.512 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.159 2.609 9.024 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.258 3.469 7.492 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.858 1.799 7.022 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.415 2.399 8.637 1.00 1.27 H new ATOM 718 N PHE A 45 0.215 2.642 7.349 1.00 0.42 N ATOM 719 CA PHE A 45 1.466 2.115 7.803 1.00 0.46 C ATOM 720 C PHE A 45 1.643 2.680 9.170 1.00 0.68 C ATOM 721 O PHE A 45 1.501 3.866 9.467 1.00 1.50 O ATOM 722 CB PHE A 45 2.550 2.495 6.781 1.00 0.56 C ATOM 723 CG PHE A 45 3.863 1.867 7.105 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.064 0.517 7.273 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.950 2.680 7.325 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.287 0.017 7.653 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.173 2.185 7.712 1.00 1.33 C ATOM 728 CZ PHE A 45 6.369 0.835 7.884 1.00 1.02 C ATOM 0 H PHE A 45 0.011 3.593 7.656 1.00 0.42 H new ATOM 0 HA PHE A 45 1.521 1.029 7.873 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.235 2.184 5.785 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.662 3.579 6.756 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.244 -0.165 7.103 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.839 3.746 7.189 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.402 -1.050 7.774 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.992 2.867 7.884 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.326 0.436 8.186 1.00 1.02 H new ATOM 738 N ALA A 46 1.751 1.766 10.150 1.00 0.81 N ATOM 739 CA ALA A 46 2.016 1.993 11.536 1.00 0.96 C ATOM 740 C ALA A 46 0.885 2.589 12.302 1.00 0.97 C ATOM 741 O ALA A 46 0.966 3.033 13.447 1.00 1.21 O ATOM 742 CB ALA A 46 3.307 2.800 11.756 1.00 1.20 C ATOM 0 H ALA A 46 1.642 0.772 9.950 1.00 0.81 H new ATOM 0 HA ALA A 46 2.153 0.992 11.945 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.466 2.947 12.824 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.152 2.256 11.335 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.218 3.769 11.265 1.00 1.20 H new ATOM 748 N GLY A 47 -0.275 2.538 11.622 1.00 0.99 N ATOM 749 CA GLY A 47 -1.516 3.156 11.971 1.00 1.10 C ATOM 750 C GLY A 47 -1.802 4.409 11.217 1.00 1.03 C ATOM 751 O GLY A 47 -2.949 4.832 11.084 1.00 1.30 O ATOM 0 H GLY A 47 -0.348 2.016 10.749 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.325 2.447 11.797 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.512 3.379 13.038 1.00 1.10 H new ATOM 755 N LYS A 48 -0.714 5.016 10.711 1.00 0.98 N ATOM 756 CA LYS A 48 -0.793 6.259 10.008 1.00 1.05 C ATOM 757 C LYS A 48 -1.218 6.065 8.593 1.00 0.84 C ATOM 758 O LYS A 48 -0.810 5.203 7.818 1.00 0.81 O ATOM 759 CB LYS A 48 0.557 6.993 10.085 1.00 1.42 C ATOM 760 CG LYS A 48 0.576 8.417 9.528 1.00 1.61 C ATOM 761 CD LYS A 48 1.610 9.441 10.000 1.00 1.87 C ATOM 762 CE LYS A 48 3.089 9.102 9.804 1.00 2.22 C ATOM 763 NZ LYS A 48 3.802 10.337 10.198 1.00 2.55 N ATOM 0 H LYS A 48 0.231 4.641 10.790 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.555 6.873 10.488 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.871 7.028 11.128 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.300 6.404 9.548 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.682 8.334 8.446 1.00 1.61 H new ATOM 0 HG3 LYS A 48 -0.407 8.847 9.720 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.410 10.381 9.485 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.445 9.619 11.063 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.388 8.255 10.422 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.302 8.833 8.769 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.827 10.194 10.094 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.498 11.123 9.588 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.583 10.563 11.189 1.00 2.55 H new ATOM 777 N GLN A 49 -2.159 6.910 8.133 1.00 0.84 N ATOM 778 CA GLN A 49 -2.612 6.883 6.776 1.00 0.80 C ATOM 779 C GLN A 49 -1.643 7.539 5.852 1.00 0.72 C ATOM 780 O GLN A 49 -1.226 8.681 6.041 1.00 0.83 O ATOM 781 CB GLN A 49 -3.959 7.614 6.663 1.00 1.03 C ATOM 782 CG GLN A 49 -5.112 6.696 7.074 1.00 1.67 C ATOM 783 CD GLN A 49 -6.411 7.478 7.214 1.00 1.92 C ATOM 784 OE1 GLN A 49 -7.063 7.793 6.221 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.863 7.978 8.396 1.00 2.48 N ATOM 0 H GLN A 49 -2.611 7.620 8.709 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.713 5.836 6.490 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.951 8.501 7.297 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.108 7.956 5.639 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.236 5.908 6.331 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.874 6.208 8.019 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.373 7.759 9.263 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.692 8.572 8.415 1.00 2.48 H new ATOM 794 N LEU A 50 -1.246 6.869 4.756 1.00 0.69 N ATOM 795 CA LEU A 50 -0.203 7.361 3.911 1.00 0.66 C ATOM 796 C LEU A 50 -0.701 8.183 2.772 1.00 0.72 C ATOM 797 O LEU A 50 -1.738 7.914 2.168 1.00 0.90 O ATOM 798 CB LEU A 50 0.659 6.227 3.329 1.00 0.65 C ATOM 799 CG LEU A 50 1.370 5.396 4.410 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.126 4.278 3.673 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.267 6.245 5.326 1.00 0.74 C ATOM 0 H LEU A 50 -1.649 5.982 4.454 1.00 0.69 H new ATOM 0 HA LEU A 50 0.397 7.992 4.568 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.029 5.570 2.730 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.404 6.653 2.657 1.00 0.65 H new ATOM 0 HG LEU A 50 0.647 4.965 5.102 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.651 3.655 4.397 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.417 3.666 3.115 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.846 4.719 2.984 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.741 5.603 6.068 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.034 6.737 4.729 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.662 6.998 5.832 1.00 0.74 H new ATOM 813 N GLU A 51 0.012 9.256 2.387 1.00 0.70 N ATOM 814 CA GLU A 51 -0.207 10.134 1.279 1.00 0.76 C ATOM 815 C GLU A 51 0.295 9.527 0.014 1.00 0.77 C ATOM 816 O GLU A 51 1.268 8.775 0.042 1.00 1.23 O ATOM 817 CB GLU A 51 0.425 11.509 1.551 1.00 0.88 C ATOM 818 CG GLU A 51 -0.231 12.364 2.636 1.00 1.35 C ATOM 819 CD GLU A 51 0.543 13.571 3.148 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.095 14.411 2.387 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.670 13.771 4.385 1.00 1.94 O ATOM 0 H GLU A 51 0.837 9.538 2.916 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.280 10.285 1.157 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.469 11.356 1.824 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.419 12.076 0.620 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.188 12.717 2.252 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.447 11.718 3.487 1.00 1.35 H new ATOM 828 N ASP A 52 -0.386 9.858 -1.097 1.00 0.66 N ATOM 829 CA ASP A 52 -0.184 9.177 -2.338 1.00 0.65 C ATOM 830 C ASP A 52 0.878 9.729 -3.225 1.00 0.60 C ATOM 831 O ASP A 52 1.646 8.938 -3.770 1.00 0.62 O ATOM 832 CB ASP A 52 -1.489 9.233 -3.152 1.00 0.81 C ATOM 833 CG ASP A 52 -2.679 8.862 -2.280 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.634 7.792 -1.617 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.704 9.592 -2.356 1.00 1.44 O ATOM 0 H ASP A 52 -1.082 10.603 -1.136 1.00 0.66 H new ATOM 0 HA ASP A 52 0.130 8.174 -2.047 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.628 10.235 -3.559 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.425 8.550 -3.999 1.00 0.81 H new ATOM 840 N GLY A 53 1.085 11.058 -3.248 1.00 0.68 N ATOM 841 CA GLY A 53 2.135 11.784 -3.892 1.00 0.73 C ATOM 842 C GLY A 53 3.447 11.871 -3.192 1.00 0.72 C ATOM 843 O GLY A 53 4.192 12.817 -3.447 1.00 0.97 O ATOM 0 H GLY A 53 0.447 11.688 -2.762 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.305 11.331 -4.869 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.781 12.800 -4.069 1.00 0.73 H new ATOM 847 N ARG A 54 3.759 10.967 -2.247 1.00 0.64 N ATOM 848 CA ARG A 54 5.072 10.845 -1.690 1.00 0.63 C ATOM 849 C ARG A 54 5.706 9.621 -2.257 1.00 0.59 C ATOM 850 O ARG A 54 5.023 8.901 -2.984 1.00 0.62 O ATOM 851 CB ARG A 54 5.009 10.668 -0.164 1.00 0.69 C ATOM 852 CG ARG A 54 4.116 11.639 0.612 1.00 0.82 C ATOM 853 CD ARG A 54 4.833 12.988 0.685 1.00 1.18 C ATOM 854 NE ARG A 54 3.915 13.882 1.445 1.00 1.50 N ATOM 855 CZ ARG A 54 4.357 14.993 2.104 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.655 15.412 2.152 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.459 15.714 2.835 1.00 2.49 N ATOM 0 H ARG A 54 3.085 10.306 -1.861 1.00 0.64 H new ATOM 0 HA ARG A 54 5.637 11.747 -1.926 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.669 9.654 0.046 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.022 10.752 0.229 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.151 11.747 0.117 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.919 11.258 1.614 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.796 12.895 1.187 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.030 13.383 -0.312 1.00 1.18 H new ATOM 0 HE ARG A 54 2.921 13.656 1.474 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.381 14.881 1.671 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.900 16.257 2.669 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.484 15.419 2.880 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.763 16.548 3.337 1.00 2.49 H new ATOM 871 N THR A 55 6.966 9.276 -1.934 1.00 0.63 N ATOM 872 CA THR A 55 7.440 7.970 -2.270 1.00 0.61 C ATOM 873 C THR A 55 7.563 7.203 -0.998 1.00 0.59 C ATOM 874 O THR A 55 7.272 7.636 0.116 1.00 0.64 O ATOM 875 CB THR A 55 8.796 8.026 -2.906 1.00 0.68 C ATOM 876 OG1 THR A 55 9.774 8.579 -2.036 1.00 0.75 O ATOM 877 CG2 THR A 55 8.558 8.829 -4.196 1.00 0.76 C ATOM 0 H THR A 55 7.636 9.878 -1.456 1.00 0.63 H new ATOM 0 HA THR A 55 6.746 7.508 -2.973 1.00 0.61 H new ATOM 0 HB THR A 55 9.213 7.044 -3.128 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.497 9.478 -1.761 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.497 8.929 -4.741 1.00 0.76 H new ATOM 0 HG22 THR A 55 7.830 8.309 -4.819 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.178 9.819 -3.943 1.00 0.76 H new ATOM 885 N LEU A 56 8.141 5.995 -1.123 1.00 0.58 N ATOM 886 CA LEU A 56 8.527 5.167 -0.023 1.00 0.59 C ATOM 887 C LEU A 56 9.629 5.758 0.789 1.00 0.64 C ATOM 888 O LEU A 56 9.755 5.771 2.012 1.00 0.70 O ATOM 889 CB LEU A 56 8.873 3.728 -0.442 1.00 0.60 C ATOM 890 CG LEU A 56 7.665 2.896 -0.905 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.153 1.525 -1.402 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.609 2.622 0.179 1.00 1.03 C ATOM 0 H LEU A 56 8.348 5.577 -2.030 1.00 0.58 H new ATOM 0 HA LEU A 56 7.642 5.116 0.611 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.606 3.763 -1.248 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.348 3.221 0.398 1.00 0.60 H new ATOM 0 HG LEU A 56 7.192 3.497 -1.681 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.299 0.932 -1.731 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.841 1.664 -2.236 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.665 1.005 -0.592 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.798 2.029 -0.244 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.067 2.074 1.003 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.212 3.568 0.548 1.00 1.03 H new ATOM 904 N SER A 57 10.627 6.292 0.063 1.00 0.68 N ATOM 905 CA SER A 57 11.819 6.925 0.535 1.00 0.75 C ATOM 906 C SER A 57 11.686 8.042 1.512 1.00 0.76 C ATOM 907 O SER A 57 12.553 8.195 2.371 1.00 0.84 O ATOM 908 CB SER A 57 12.732 7.461 -0.579 1.00 0.84 C ATOM 909 OG SER A 57 13.216 6.411 -1.403 1.00 1.19 O ATOM 0 H SER A 57 10.593 6.278 -0.956 1.00 0.68 H new ATOM 0 HA SER A 57 12.248 6.069 1.056 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.183 8.179 -1.188 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.573 7.995 -0.137 1.00 0.84 H new ATOM 0 HG SER A 57 12.467 5.999 -1.882 1.00 1.19 H new ATOM 915 N ASP A 58 10.523 8.716 1.467 1.00 0.75 N ATOM 916 CA ASP A 58 10.071 9.792 2.294 1.00 0.78 C ATOM 917 C ASP A 58 9.585 9.308 3.617 1.00 0.77 C ATOM 918 O ASP A 58 10.021 9.842 4.637 1.00 0.86 O ATOM 919 CB ASP A 58 8.896 10.586 1.699 1.00 0.83 C ATOM 920 CG ASP A 58 9.440 11.324 0.485 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.184 12.320 0.688 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.239 10.956 -0.704 1.00 1.90 O ATOM 0 H ASP A 58 9.820 8.476 0.768 1.00 0.75 H new ATOM 0 HA ASP A 58 10.951 10.429 2.382 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.082 9.919 1.414 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.493 11.287 2.430 1.00 0.83 H new ATOM 927 N TYR A 59 8.781 8.237 3.740 1.00 0.72 N ATOM 928 CA TYR A 59 8.301 7.579 4.916 1.00 0.73 C ATOM 929 C TYR A 59 9.269 6.632 5.537 1.00 0.76 C ATOM 930 O TYR A 59 8.840 5.927 6.449 1.00 0.89 O ATOM 931 CB TYR A 59 6.895 7.028 4.626 1.00 0.73 C ATOM 932 CG TYR A 59 5.838 8.059 4.435 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.171 8.613 5.502 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.278 8.218 3.189 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.060 9.404 5.333 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.096 8.892 2.998 1.00 0.70 C ATOM 937 CZ TYR A 59 3.549 9.563 4.066 1.00 0.74 C ATOM 938 OH TYR A 59 2.251 10.105 3.956 1.00 0.86 O ATOM 0 H TYR A 59 8.424 7.776 2.903 1.00 0.72 H new ATOM 0 HA TYR A 59 8.205 8.305 5.723 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.942 6.409 3.730 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.600 6.377 5.449 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.531 8.421 6.502 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.784 7.799 2.332 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.597 9.891 6.178 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.609 8.895 2.034 1.00 0.70 H new ATOM 0 HH TYR A 59 2.308 11.081 3.894 1.00 0.86 H new ATOM 948 N ASN A 60 10.530 6.647 5.067 1.00 0.74 N ATOM 949 CA ASN A 60 11.647 5.842 5.457 1.00 0.79 C ATOM 950 C ASN A 60 11.350 4.385 5.538 1.00 0.75 C ATOM 951 O ASN A 60 11.891 3.616 6.332 1.00 0.86 O ATOM 952 CB ASN A 60 12.428 6.323 6.691 1.00 0.95 C ATOM 953 CG ASN A 60 11.535 6.580 7.896 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.046 5.657 8.546 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.371 7.835 8.394 1.00 1.83 N ATOM 0 H ASN A 60 10.793 7.300 4.329 1.00 0.74 H new ATOM 0 HA ASN A 60 12.326 5.990 4.617 1.00 0.79 H new ATOM 0 HB2 ASN A 60 13.178 5.576 6.954 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.964 7.239 6.441 1.00 0.95 H new ATOM 0 HD21 ASN A 60 10.862 7.975 9.267 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.757 8.636 7.894 1.00 1.83 H new ATOM 962 N ILE A 61 10.560 3.833 4.600 1.00 0.67 N ATOM 963 CA ILE A 61 10.160 2.464 4.502 1.00 0.65 C ATOM 964 C ILE A 61 11.278 1.657 3.938 1.00 0.66 C ATOM 965 O ILE A 61 11.863 2.014 2.915 1.00 0.75 O ATOM 966 CB ILE A 61 8.809 2.212 3.900 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.658 3.054 4.474 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.585 0.692 3.829 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.556 3.161 3.420 1.00 0.82 C ATOM 0 H ILE A 61 10.168 4.396 3.845 1.00 0.67 H new ATOM 0 HA ILE A 61 9.975 2.110 5.516 1.00 0.65 H new ATOM 0 HB ILE A 61 8.800 2.594 2.879 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.269 2.593 5.382 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.016 4.046 4.748 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.607 0.488 3.394 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.359 0.239 3.210 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.630 0.270 4.833 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.732 3.756 3.814 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.954 3.639 2.525 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.195 2.164 3.168 1.00 0.82 H new ATOM 981 N GLN A 62 11.627 0.574 4.653 1.00 0.67 N ATOM 982 CA GLN A 62 12.650 -0.351 4.274 1.00 0.70 C ATOM 983 C GLN A 62 11.953 -1.595 3.845 1.00 0.62 C ATOM 984 O GLN A 62 10.740 -1.797 3.910 1.00 0.64 O ATOM 985 CB GLN A 62 13.589 -0.675 5.448 1.00 0.85 C ATOM 986 CG GLN A 62 14.083 0.538 6.238 1.00 1.27 C ATOM 987 CD GLN A 62 15.076 1.383 5.452 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.974 0.847 4.805 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.930 2.728 5.598 1.00 2.16 N ATOM 0 H GLN A 62 11.176 0.332 5.535 1.00 0.67 H new ATOM 0 HA GLN A 62 13.263 0.077 3.481 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.072 -1.348 6.132 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.454 -1.215 5.063 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.230 1.155 6.521 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.551 0.199 7.162 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.158 3.100 6.151 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.592 3.364 5.154 1.00 2.16 H new ATOM 998 N LYS A 63 12.701 -2.647 3.466 1.00 0.64 N ATOM 999 CA LYS A 63 12.321 -3.933 2.968 1.00 0.62 C ATOM 1000 C LYS A 63 11.566 -4.691 4.005 1.00 0.59 C ATOM 1001 O LYS A 63 11.669 -4.435 5.204 1.00 0.66 O ATOM 1002 CB LYS A 63 13.548 -4.698 2.443 1.00 0.74 C ATOM 1003 CG LYS A 63 14.503 -5.212 3.523 1.00 0.89 C ATOM 1004 CD LYS A 63 15.747 -5.870 2.923 1.00 1.11 C ATOM 1005 CE LYS A 63 16.691 -6.427 3.990 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.999 -7.356 4.912 1.00 2.12 N ATOM 0 H LYS A 63 13.717 -2.579 3.519 1.00 0.64 H new ATOM 0 HA LYS A 63 11.649 -3.804 2.119 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.203 -5.546 1.852 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.103 -4.045 1.770 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.805 -4.384 4.164 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.982 -5.931 4.155 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.441 -6.677 2.257 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.282 -5.140 2.315 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.519 -6.946 3.507 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.120 -5.603 4.560 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.700 -7.959 5.388 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.472 -6.811 5.623 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.339 -7.952 4.373 1.00 2.12 H new ATOM 1020 N GLU A 64 10.763 -5.715 3.667 1.00 0.57 N ATOM 1021 CA GLU A 64 10.170 -6.634 4.587 1.00 0.58 C ATOM 1022 C GLU A 64 9.294 -5.960 5.588 1.00 0.56 C ATOM 1023 O GLU A 64 9.287 -6.198 6.795 1.00 0.70 O ATOM 1024 CB GLU A 64 11.052 -7.762 5.148 1.00 0.72 C ATOM 1025 CG GLU A 64 11.842 -8.499 4.065 1.00 0.96 C ATOM 1026 CD GLU A 64 12.937 -9.433 4.561 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.536 -10.543 5.000 1.00 1.69 O ATOM 1028 OE2 GLU A 64 14.150 -9.139 4.380 1.00 1.71 O ATOM 0 H GLU A 64 10.514 -5.912 2.698 1.00 0.57 H new ATOM 0 HA GLU A 64 9.515 -7.224 3.946 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.747 -7.344 5.876 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.424 -8.476 5.681 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.142 -9.078 3.463 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.294 -7.759 3.405 1.00 0.96 H new ATOM 1035 N SER A 65 8.473 -4.968 5.203 1.00 0.51 N ATOM 1036 CA SER A 65 7.658 -4.115 6.013 1.00 0.51 C ATOM 1037 C SER A 65 6.226 -4.505 5.879 1.00 0.43 C ATOM 1038 O SER A 65 5.715 -4.795 4.799 1.00 0.50 O ATOM 1039 CB SER A 65 8.014 -2.641 5.760 1.00 0.65 C ATOM 1040 OG SER A 65 7.991 -2.313 4.378 1.00 1.04 O ATOM 0 H SER A 65 8.371 -4.740 4.214 1.00 0.51 H new ATOM 0 HA SER A 65 7.865 -4.246 7.075 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.311 -2.002 6.295 1.00 0.65 H new ATOM 0 HB3 SER A 65 9.005 -2.434 6.164 1.00 0.65 H new ATOM 0 HG SER A 65 8.900 -2.106 4.076 1.00 1.04 H new ATOM 1046 N THR A 66 5.472 -4.592 6.989 1.00 0.45 N ATOM 1047 CA THR A 66 4.072 -4.874 6.928 1.00 0.45 C ATOM 1048 C THR A 66 3.369 -3.573 6.742 1.00 0.43 C ATOM 1049 O THR A 66 3.300 -2.688 7.592 1.00 0.58 O ATOM 1050 CB THR A 66 3.559 -5.583 8.146 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.034 -6.918 8.224 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.022 -5.598 8.084 1.00 0.78 C ATOM 0 H THR A 66 5.835 -4.466 7.934 1.00 0.45 H new ATOM 0 HA THR A 66 3.883 -5.554 6.097 1.00 0.45 H new ATOM 0 HB THR A 66 3.916 -5.054 9.029 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.679 -7.345 9.032 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.627 -6.110 8.962 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.649 -4.574 8.063 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.699 -6.121 7.184 1.00 0.78 H new ATOM 1060 N LEU A 67 2.707 -3.499 5.573 1.00 0.38 N ATOM 1061 CA LEU A 67 1.831 -2.426 5.217 1.00 0.38 C ATOM 1062 C LEU A 67 0.416 -2.894 5.212 1.00 0.37 C ATOM 1063 O LEU A 67 0.130 -4.080 5.060 1.00 0.50 O ATOM 1064 CB LEU A 67 2.095 -1.935 3.784 1.00 0.46 C ATOM 1065 CG LEU A 67 3.234 -0.921 3.589 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.630 -1.295 4.118 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.279 -0.555 2.097 1.00 1.31 C ATOM 0 H LEU A 67 2.785 -4.213 4.849 1.00 0.38 H new ATOM 0 HA LEU A 67 2.006 -1.635 5.946 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.307 -2.805 3.162 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.176 -1.488 3.405 1.00 0.46 H new ATOM 0 HG LEU A 67 2.985 -0.073 4.227 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.328 -0.484 3.908 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.579 -1.461 5.194 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.973 -2.205 3.627 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.079 0.165 1.923 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.465 -1.453 1.508 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.326 -0.117 1.801 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.577 -1.990 5.294 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.975 -2.284 5.368 1.00 0.37 C ATOM 1081 C HIS A 68 -2.757 -1.549 4.333 1.00 0.35 C ATOM 1082 O HIS A 68 -2.564 -0.367 4.059 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.552 -1.890 6.738 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.197 -2.770 7.900 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.037 -2.617 8.633 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.923 -3.745 8.509 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.160 -3.471 9.684 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.268 -4.187 9.640 1.00 1.51 N ATOM 0 H HIS A 68 -0.390 -0.987 5.310 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.062 -3.358 5.205 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.223 -0.876 6.966 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.638 -1.861 6.653 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.874 -4.119 8.159 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.427 -3.555 10.473 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.572 -4.907 10.296 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.748 -2.217 3.717 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.631 -1.815 2.667 1.00 0.38 C ATOM 1098 C LEU A 69 -5.969 -1.505 3.245 1.00 0.41 C ATOM 1099 O LEU A 69 -6.574 -2.296 3.967 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.748 -2.891 1.573 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.730 -2.503 0.454 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.094 -1.340 -0.325 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.038 -3.630 -0.546 1.00 1.14 C ATOM 0 H LEU A 69 -3.954 -3.175 4.000 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.220 -0.924 2.192 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.764 -3.070 1.140 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.072 -3.828 2.025 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.676 -2.249 0.931 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.761 -1.034 -1.131 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.928 -0.499 0.348 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.141 -1.662 -0.746 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.738 -3.267 -1.299 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.115 -3.948 -1.032 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.479 -4.475 -0.017 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.579 -0.331 3.003 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.933 0.066 3.230 1.00 0.56 C ATOM 1117 C VAL A 70 -8.469 0.796 2.048 1.00 0.55 C ATOM 1118 O VAL A 70 -7.692 1.298 1.235 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.169 1.006 4.376 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.850 0.119 5.591 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.289 2.267 4.367 1.00 0.97 C ATOM 0 H VAL A 70 -6.047 0.438 2.594 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.421 -0.885 3.444 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.178 1.418 4.354 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.985 0.694 6.507 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.520 -0.741 5.600 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.818 -0.226 5.529 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.530 2.885 5.232 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.239 1.978 4.409 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.473 2.833 3.454 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.799 0.961 1.934 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.373 1.811 0.938 1.00 0.84 C ATOM 1133 C LEU A 71 -10.729 3.163 1.452 1.00 0.85 C ATOM 1134 O LEU A 71 -10.820 3.291 2.672 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.635 1.116 0.400 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.502 -0.224 -0.343 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.900 -0.839 -0.522 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.795 -0.063 -1.700 1.00 2.78 C ATOM 0 H LEU A 71 -10.481 0.502 2.537 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.630 1.968 0.156 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.305 0.956 1.245 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.131 1.815 -0.273 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.881 -0.891 0.254 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.815 -1.790 -1.048 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.352 -1.005 0.456 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.525 -0.159 -1.101 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.723 -1.034 -2.190 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.366 0.619 -2.329 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.794 0.340 -1.543 1.00 2.78 H new