USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.453 K(o=1,f=-2.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.564 K(o=1,f=-0.27) USER MOD Set 2.1: A 55 THR OG1 : rot 120:sc= 0.994 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.856 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.101 K(o=-0.1,f=-1) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0119) USER MOD Set 4.1: A 7 THR OG1 : rot 133:sc= 0.862 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.779 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 172:sc= 1.09 (180deg=0) USER MOD Set 5.2: A 12 THR OG1 : rot 140:sc= 0.936 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.254 (180deg=-0.404) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.27 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.19) 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 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.89 (180deg=1.88) USER MOD Single : A 31 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.035) 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=-0.98) USER MOD Single : A 41 GLN : amide:sc= 0.967 K(o=0.97,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00212) USER MOD Single : A 49 GLN : amide:sc=-0.00831 X(o=-0.0083,f=-0.0083) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.176 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0723) USER MOD Single : A 65 SER OG : rot 95:sc= 0.633 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.397 -6.998 -5.245 1.00 9.67 N ATOM 2 CA MET A 1 11.272 -7.074 -3.771 1.00 10.38 C ATOM 3 C MET A 1 9.893 -7.374 -3.168 1.00 9.62 C ATOM 4 O MET A 1 8.911 -6.988 -3.797 1.00 9.62 O ATOM 5 CB MET A 1 11.793 -5.699 -3.207 1.00 13.77 C ATOM 6 CG MET A 1 11.676 -5.383 -1.718 1.00 16.29 C ATOM 7 SD MET A 1 12.319 -3.779 -1.259 1.00 17.17 S ATOM 8 CE MET A 1 10.698 -2.963 -1.340 1.00 16.11 C ATOM 0 H1 MET A 1 12.201 -6.388 -5.494 1.00 9.67 H new ATOM 0 H2 MET A 1 11.553 -7.951 -5.630 1.00 9.67 H new ATOM 0 H3 MET A 1 10.524 -6.601 -5.647 1.00 9.67 H new ATOM 0 HA MET A 1 11.852 -7.949 -3.478 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.847 -5.620 -3.472 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.269 -4.910 -3.746 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.627 -5.439 -1.427 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.205 -6.150 -1.152 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.778 -1.953 -0.937 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.367 -2.914 -2.377 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.975 -3.531 -0.755 1.00 16.11 H new ATOM 20 N GLN A 2 9.767 -8.086 -2.020 1.00 9.27 N ATOM 21 CA GLN A 2 8.474 -8.375 -1.425 1.00 9.07 C ATOM 22 C GLN A 2 8.172 -7.567 -0.221 1.00 8.72 C ATOM 23 O GLN A 2 9.126 -7.347 0.549 1.00 8.22 O ATOM 24 CB GLN A 2 8.380 -9.868 -1.152 1.00 14.46 C ATOM 25 CG GLN A 2 8.432 -10.733 -2.450 1.00 17.01 C ATOM 26 CD GLN A 2 8.295 -12.235 -2.236 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.682 -12.880 -3.079 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.753 -12.711 -1.050 1.00 19.49 N ATOM 0 H GLN A 2 10.559 -8.464 -1.500 1.00 9.27 H new ATOM 0 HA GLN A 2 7.706 -8.083 -2.141 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.197 -10.163 -0.493 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.451 -10.076 -0.621 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.637 -10.404 -3.119 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.377 -10.540 -2.958 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.255 -12.093 -0.412 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.595 -13.686 -0.797 1.00 19.49 H new ATOM 37 N ILE A 3 6.898 -7.213 -0.010 1.00 5.87 N ATOM 38 CA ILE A 3 6.396 -6.494 1.143 1.00 5.07 C ATOM 39 C ILE A 3 5.020 -7.082 1.451 1.00 4.01 C ATOM 40 O ILE A 3 4.453 -7.705 0.595 1.00 4.61 O ATOM 41 CB ILE A 3 6.235 -4.960 1.041 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.311 -4.467 -0.114 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.679 -4.446 0.974 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.409 -2.957 -0.291 1.00 10.83 C ATOM 0 H ILE A 3 6.161 -7.437 -0.679 1.00 5.87 H new ATOM 0 HA ILE A 3 7.160 -6.623 1.910 1.00 5.07 H new ATOM 0 HB ILE A 3 5.696 -4.554 1.897 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.590 -4.964 -1.043 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.279 -4.745 0.099 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.675 -3.359 0.899 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.214 -4.746 1.875 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.175 -4.868 0.100 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.754 -2.643 -1.103 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.106 -2.462 0.632 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.437 -2.684 -0.528 1.00 10.83 H new ATOM 56 N PHE A 4 4.519 -7.060 2.713 1.00 4.55 N ATOM 57 CA PHE A 4 3.384 -7.843 3.154 1.00 4.68 C ATOM 58 C PHE A 4 2.390 -6.895 3.716 1.00 5.30 C ATOM 59 O PHE A 4 2.614 -6.326 4.773 1.00 5.58 O ATOM 60 CB PHE A 4 3.819 -8.903 4.231 1.00 4.83 C ATOM 61 CG PHE A 4 5.094 -9.618 3.754 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.115 -10.271 2.529 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.297 -9.560 4.552 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.253 -10.776 1.968 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.485 -10.068 3.969 1.00 10.61 C ATOM 66 CZ PHE A 4 7.450 -10.683 2.694 1.00 8.90 C ATOM 0 H PHE A 4 4.916 -6.479 3.451 1.00 4.55 H new ATOM 0 HA PHE A 4 2.955 -8.398 2.320 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.999 -8.413 5.188 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.020 -9.627 4.389 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.185 -10.385 1.993 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.291 -9.147 5.550 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.232 -11.235 0.991 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.422 -9.986 4.500 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.359 -11.087 2.274 1.00 8.90 H new ATOM 76 N VAL A 5 1.214 -6.679 3.118 1.00 4.44 N ATOM 77 CA VAL A 5 0.191 -5.725 3.584 1.00 3.87 C ATOM 78 C VAL A 5 -0.841 -6.416 4.423 1.00 4.93 C ATOM 79 O VAL A 5 -1.406 -7.425 4.056 1.00 6.84 O ATOM 80 CB VAL A 5 -0.465 -5.041 2.454 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.436 -3.985 3.034 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.526 -4.284 1.568 1.00 9.13 C ATOM 0 H VAL A 5 0.935 -7.175 2.272 1.00 4.44 H new ATOM 0 HA VAL A 5 0.701 -4.977 4.191 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.962 -5.803 1.854 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.936 -3.463 2.218 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.180 -4.479 3.658 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.877 -3.268 3.635 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.011 -3.800 0.753 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.042 -3.529 2.162 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.255 -4.983 1.158 1.00 9.13 H new ATOM 92 N LYS A 6 -1.109 -5.898 5.631 1.00 6.04 N ATOM 93 CA LYS A 6 -2.087 -6.387 6.555 1.00 6.12 C ATOM 94 C LYS A 6 -3.467 -5.719 6.266 1.00 6.57 C ATOM 95 O LYS A 6 -3.464 -4.636 5.782 1.00 5.76 O ATOM 96 CB LYS A 6 -1.736 -6.116 8.048 1.00 7.45 C ATOM 97 CG LYS A 6 -0.386 -6.748 8.450 1.00 11.12 C ATOM 98 CD LYS A 6 -0.383 -8.243 8.645 1.00 14.54 C ATOM 99 CE LYS A 6 1.010 -8.872 8.718 1.00 18.84 C ATOM 100 NZ LYS A 6 0.833 -10.328 8.928 1.00 20.55 N ATOM 0 H LYS A 6 -0.610 -5.083 5.988 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.114 -7.467 6.409 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.699 -5.041 8.222 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.526 -6.515 8.684 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.350 -6.501 7.684 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.051 -6.281 9.376 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.922 -8.478 9.563 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.933 -8.704 7.825 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.565 -8.682 7.799 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.586 -8.435 9.534 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.754 -10.805 8.847 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.438 -10.497 9.875 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.183 -10.706 8.209 1.00 20.55 H new ATOM 114 N THR A 7 -4.598 -6.391 6.543 1.00 7.41 N ATOM 115 CA THR A 7 -5.957 -5.896 6.393 1.00 7.48 C ATOM 116 C THR A 7 -6.738 -5.971 7.650 1.00 8.75 C ATOM 117 O THR A 7 -6.286 -6.691 8.558 1.00 8.58 O ATOM 118 CB THR A 7 -6.770 -6.515 5.279 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.142 -7.887 5.501 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.008 -6.374 3.920 1.00 9.17 C ATOM 0 H THR A 7 -4.575 -7.347 6.897 1.00 7.41 H new ATOM 0 HA THR A 7 -5.788 -4.856 6.114 1.00 7.48 H new ATOM 0 HB THR A 7 -7.707 -5.960 5.251 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.094 -8.005 5.298 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.600 -6.822 3.122 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.846 -5.318 3.702 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.046 -6.883 3.988 1.00 9.17 H new ATOM 128 N LEU A 8 -7.948 -5.341 7.726 1.00 9.84 N ATOM 129 CA LEU A 8 -8.836 -5.448 8.949 1.00 14.15 C ATOM 130 C LEU A 8 -9.894 -6.547 8.751 1.00 17.37 C ATOM 131 O LEU A 8 -10.939 -6.628 9.393 1.00 17.01 O ATOM 132 CB LEU A 8 -9.436 -4.137 9.254 1.00 16.63 C ATOM 133 CG LEU A 8 -8.470 -2.976 9.482 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.248 -1.634 9.693 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.501 -3.108 10.670 1.00 18.59 C ATOM 0 H LEU A 8 -8.334 -4.764 6.979 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.235 -5.738 9.810 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.102 -3.869 8.434 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.054 -4.245 10.145 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.870 -2.990 8.572 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.538 -0.823 9.853 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.850 -1.420 8.810 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.899 -1.724 10.563 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.869 -2.221 10.725 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.070 -3.206 11.595 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.876 -3.991 10.534 1.00 18.59 H new ATOM 147 N THR A 9 -9.666 -7.488 7.825 1.00 18.33 N ATOM 148 CA THR A 9 -10.674 -8.449 7.327 1.00 19.24 C ATOM 149 C THR A 9 -10.218 -9.900 7.456 1.00 19.48 C ATOM 150 O THR A 9 -10.749 -10.854 6.885 1.00 23.14 O ATOM 151 CB THR A 9 -11.021 -8.280 5.820 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.886 -8.468 4.966 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.631 -6.871 5.572 1.00 19.70 C ATOM 0 H THR A 9 -8.753 -7.610 7.387 1.00 18.33 H new ATOM 0 HA THR A 9 -11.539 -8.229 7.953 1.00 19.24 H new ATOM 0 HB THR A 9 -11.746 -9.055 5.572 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.157 -8.353 4.031 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.872 -6.760 4.515 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.539 -6.758 6.165 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.911 -6.106 5.863 1.00 19.70 H new ATOM 161 N GLY A 10 -9.120 -10.091 8.266 1.00 19.43 N ATOM 162 CA GLY A 10 -8.498 -11.363 8.546 1.00 18.74 C ATOM 163 C GLY A 10 -7.545 -11.842 7.447 1.00 17.62 C ATOM 164 O GLY A 10 -7.627 -13.010 7.066 1.00 19.74 O ATOM 0 H GLY A 10 -8.657 -9.315 8.739 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.948 -11.289 9.484 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.276 -12.113 8.691 1.00 18.74 H new ATOM 168 N LYS A 11 -6.655 -10.980 6.946 1.00 13.56 N ATOM 169 CA LYS A 11 -5.759 -11.259 5.798 1.00 11.91 C ATOM 170 C LYS A 11 -4.403 -10.566 5.953 1.00 10.18 C ATOM 171 O LYS A 11 -4.215 -9.623 6.707 1.00 9.10 O ATOM 172 CB LYS A 11 -6.398 -10.909 4.451 1.00 13.43 C ATOM 173 CG LYS A 11 -5.787 -11.789 3.327 1.00 16.69 C ATOM 174 CD LYS A 11 -6.676 -11.867 2.094 1.00 17.92 C ATOM 175 CE LYS A 11 -6.056 -12.775 0.996 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.941 -12.893 -0.173 1.00 21.93 N ATOM 0 H LYS A 11 -6.527 -10.044 7.330 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.591 -12.336 5.803 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.476 -11.064 4.500 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.237 -9.855 4.226 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.815 -11.386 3.044 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.616 -12.795 3.711 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.656 -12.253 2.375 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.831 -10.865 1.693 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.095 -12.366 0.685 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.863 -13.765 1.408 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.660 -13.719 -0.739 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.924 -13.010 0.146 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.865 -12.034 -0.754 1.00 21.93 H new ATOM 190 N THR A 12 -3.416 -11.209 5.216 1.00 9.63 N ATOM 191 CA THR A 12 -2.130 -10.679 4.865 1.00 9.85 C ATOM 192 C THR A 12 -1.975 -10.911 3.396 1.00 11.66 C ATOM 193 O THR A 12 -2.221 -12.035 2.896 1.00 12.33 O ATOM 194 CB THR A 12 -0.878 -11.341 5.534 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.974 -11.316 6.943 1.00 10.91 O ATOM 196 CG2 THR A 12 0.405 -10.606 5.218 1.00 9.63 C ATOM 0 H THR A 12 -3.552 -12.154 4.857 1.00 9.63 H new ATOM 0 HA THR A 12 -2.137 -9.643 5.205 1.00 9.85 H new ATOM 0 HB THR A 12 -0.857 -12.356 5.138 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.645 -12.164 7.308 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.241 -11.107 5.706 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.565 -10.600 4.140 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.335 -9.580 5.580 1.00 9.63 H new ATOM 204 N ILE A 13 -1.698 -9.793 2.666 1.00 10.42 N ATOM 205 CA ILE A 13 -1.526 -9.751 1.252 1.00 11.84 C ATOM 206 C ILE A 13 -0.049 -9.613 0.940 1.00 10.55 C ATOM 207 O ILE A 13 0.615 -8.559 1.162 1.00 11.92 O ATOM 208 CB ILE A 13 -2.273 -8.559 0.622 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.718 -8.680 0.904 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.041 -8.479 -0.904 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.539 -7.419 0.482 1.00 16.46 C ATOM 0 H ILE A 13 -1.591 -8.877 3.101 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.933 -10.672 0.835 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.881 -7.643 1.064 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.111 -9.552 0.382 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.859 -8.857 1.970 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.584 -7.626 -1.310 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.976 -8.360 -1.104 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.399 -9.395 -1.375 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.592 -7.575 0.717 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.171 -6.547 1.024 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.427 -7.254 -0.590 1.00 16.46 H new ATOM 223 N THR A 14 0.519 -10.659 0.360 1.00 9.39 N ATOM 224 CA THR A 14 1.846 -10.533 -0.269 1.00 9.63 C ATOM 225 C THR A 14 1.897 -9.698 -1.479 1.00 11.20 C ATOM 226 O THR A 14 1.023 -9.765 -2.351 1.00 11.63 O ATOM 227 CB THR A 14 2.404 -11.878 -0.714 1.00 10.38 C ATOM 228 OG1 THR A 14 2.220 -12.884 0.270 1.00 16.30 O ATOM 229 CG2 THR A 14 3.955 -11.736 -0.910 1.00 11.66 C ATOM 0 H THR A 14 0.103 -11.589 0.306 1.00 9.39 H new ATOM 0 HA THR A 14 2.425 -10.068 0.529 1.00 9.63 H new ATOM 0 HB THR A 14 1.881 -12.159 -1.628 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.590 -13.731 -0.055 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.370 -12.692 -1.229 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.158 -10.981 -1.669 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.415 -11.437 0.032 1.00 11.66 H new ATOM 237 N LEU A 15 2.918 -8.768 -1.570 1.00 8.29 N ATOM 238 CA LEU A 15 3.010 -7.971 -2.796 1.00 9.03 C ATOM 239 C LEU A 15 4.433 -8.100 -3.291 1.00 8.59 C ATOM 240 O LEU A 15 5.401 -8.454 -2.549 1.00 7.79 O ATOM 241 CB LEU A 15 2.772 -6.473 -2.606 1.00 11.08 C ATOM 242 CG LEU A 15 1.253 -6.156 -2.295 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.148 -4.678 -2.032 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.219 -6.597 -3.363 1.00 15.27 C ATOM 0 H LEU A 15 3.623 -8.581 -0.857 1.00 8.29 H new ATOM 0 HA LEU A 15 2.240 -8.345 -3.471 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.395 -6.106 -1.790 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.078 -5.939 -3.505 1.00 11.08 H new ATOM 0 HG LEU A 15 0.981 -6.761 -1.430 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.112 -4.420 -1.813 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.775 -4.415 -1.180 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.481 -4.127 -2.912 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.783 -6.324 -3.033 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.438 -6.100 -4.308 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.275 -7.677 -3.499 1.00 15.27 H new ATOM 256 N GLU A 16 4.650 -7.937 -4.582 1.00 11.04 N ATOM 257 CA GLU A 16 5.885 -8.047 -5.212 1.00 11.50 C ATOM 258 C GLU A 16 6.109 -6.722 -5.915 1.00 10.13 C ATOM 259 O GLU A 16 5.403 -6.419 -6.856 1.00 9.83 O ATOM 260 CB GLU A 16 5.886 -9.166 -6.276 1.00 17.22 C ATOM 261 CG GLU A 16 7.370 -9.501 -6.595 1.00 23.33 C ATOM 262 CD GLU A 16 7.486 -10.633 -7.596 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.190 -10.387 -8.818 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.905 -11.755 -7.270 1.00 28.90 O ATOM 0 H GLU A 16 3.897 -7.710 -5.232 1.00 11.04 H new ATOM 0 HA GLU A 16 6.658 -8.285 -4.481 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.364 -10.048 -5.906 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.364 -8.841 -7.176 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.867 -8.614 -6.989 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.887 -9.774 -5.675 1.00 23.33 H new ATOM 271 N VAL A 17 7.127 -5.959 -5.531 1.00 8.99 N ATOM 272 CA VAL A 17 7.274 -4.543 -5.764 1.00 8.85 C ATOM 273 C VAL A 17 8.711 -4.343 -6.140 1.00 8.04 C ATOM 274 O VAL A 17 9.494 -5.292 -6.104 1.00 8.99 O ATOM 275 CB VAL A 17 6.920 -3.679 -4.595 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.414 -3.611 -4.355 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.630 -4.034 -3.296 1.00 10.54 C ATOM 0 H VAL A 17 7.918 -6.347 -5.016 1.00 8.99 H new ATOM 0 HA VAL A 17 6.575 -4.238 -6.543 1.00 8.85 H new ATOM 0 HB VAL A 17 7.284 -2.695 -4.889 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.211 -2.972 -3.496 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.923 -3.200 -5.237 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.031 -4.613 -4.160 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.309 -3.353 -2.508 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.383 -5.058 -3.014 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.708 -3.946 -3.435 1.00 10.54 H new ATOM 287 N GLU A 18 9.153 -3.106 -6.464 1.00 7.29 N ATOM 288 CA GLU A 18 10.523 -2.639 -6.599 1.00 7.08 C ATOM 289 C GLU A 18 10.598 -1.296 -5.896 1.00 6.45 C ATOM 290 O GLU A 18 9.600 -0.584 -5.945 1.00 5.28 O ATOM 291 CB GLU A 18 10.895 -2.378 -8.119 1.00 10.28 C ATOM 292 CG GLU A 18 11.056 -3.753 -8.860 1.00 12.65 C ATOM 293 CD GLU A 18 12.064 -4.707 -8.115 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.182 -4.263 -7.841 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.721 -5.889 -7.943 1.00 14.33 O ATOM 0 H GLU A 18 8.489 -2.354 -6.651 1.00 7.29 H new ATOM 0 HA GLU A 18 11.200 -3.387 -6.186 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.118 -1.783 -8.598 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.820 -1.806 -8.185 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.084 -4.240 -8.936 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.406 -3.578 -9.877 1.00 12.65 H new ATOM 302 N PRO A 19 11.730 -0.854 -5.237 1.00 7.24 N ATOM 303 CA PRO A 19 11.723 0.395 -4.504 1.00 7.07 C ATOM 304 C PRO A 19 11.229 1.635 -5.263 1.00 6.65 C ATOM 305 O PRO A 19 10.689 2.576 -4.664 1.00 6.37 O ATOM 306 CB PRO A 19 13.232 0.519 -4.072 1.00 7.61 C ATOM 307 CG PRO A 19 13.708 -0.925 -3.900 1.00 8.16 C ATOM 308 CD PRO A 19 12.997 -1.647 -4.995 1.00 7.49 C ATOM 0 HA PRO A 19 11.002 0.368 -3.687 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.818 1.042 -4.828 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.333 1.082 -3.144 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.790 -1.007 -3.999 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.446 -1.322 -2.919 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.609 -1.696 -5.896 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.770 -2.674 -4.707 1.00 7.49 H new ATOM 316 N SER A 20 11.386 1.738 -6.541 1.00 6.80 N ATOM 317 CA SER A 20 11.059 2.924 -7.279 1.00 6.28 C ATOM 318 C SER A 20 9.607 2.830 -7.693 1.00 8.45 C ATOM 319 O SER A 20 9.196 3.779 -8.326 1.00 7.26 O ATOM 320 CB SER A 20 11.887 2.993 -8.644 1.00 8.57 C ATOM 321 OG SER A 20 13.266 2.815 -8.354 1.00 11.13 O ATOM 0 H SER A 20 11.754 0.984 -7.120 1.00 6.80 H new ATOM 0 HA SER A 20 11.277 3.788 -6.652 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.544 2.221 -9.333 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.726 3.953 -9.135 1.00 8.57 H new ATOM 0 HG SER A 20 13.783 2.854 -9.186 1.00 11.13 H new ATOM 327 N ASP A 21 8.821 1.777 -7.263 1.00 7.50 N ATOM 328 CA ASP A 21 7.406 1.788 -7.494 1.00 7.70 C ATOM 329 C ASP A 21 6.664 2.854 -6.676 1.00 7.08 C ATOM 330 O ASP A 21 6.901 3.111 -5.506 1.00 8.11 O ATOM 331 CB ASP A 21 6.741 0.414 -7.223 1.00 11.00 C ATOM 332 CG ASP A 21 7.071 -0.623 -8.274 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.271 -0.359 -9.483 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.936 -1.818 -7.893 1.00 14.36 O ATOM 0 H ASP A 21 9.172 0.954 -6.773 1.00 7.50 H new ATOM 0 HA ASP A 21 7.315 2.031 -8.553 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.061 0.048 -6.247 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.660 0.543 -7.176 1.00 11.00 H new ATOM 339 N THR A 22 5.827 3.574 -7.351 1.00 5.37 N ATOM 340 CA THR A 22 5.024 4.640 -6.695 1.00 6.01 C ATOM 341 C THR A 22 3.847 4.141 -5.920 1.00 8.01 C ATOM 342 O THR A 22 3.267 3.072 -6.151 1.00 8.11 O ATOM 343 CB THR A 22 4.539 5.790 -7.613 1.00 8.92 C ATOM 344 OG1 THR A 22 3.781 5.382 -8.802 1.00 10.22 O ATOM 345 CG2 THR A 22 5.812 6.602 -8.052 1.00 9.65 C ATOM 0 H THR A 22 5.659 3.470 -8.352 1.00 5.37 H new ATOM 0 HA THR A 22 5.768 5.049 -6.011 1.00 6.01 H new ATOM 0 HB THR A 22 3.830 6.379 -7.032 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.520 6.177 -9.312 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.513 7.424 -8.702 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.311 7.001 -7.169 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.495 5.945 -8.590 1.00 9.65 H new ATOM 353 N ILE A 23 3.390 4.847 -4.876 1.00 8.32 N ATOM 354 CA ILE A 23 2.285 4.369 -4.011 1.00 9.92 C ATOM 355 C ILE A 23 1.010 4.061 -4.766 1.00 10.01 C ATOM 356 O ILE A 23 0.374 3.087 -4.459 1.00 8.71 O ATOM 357 CB ILE A 23 2.078 5.328 -2.824 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.258 5.326 -1.884 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.747 4.968 -2.067 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.823 4.000 -1.424 1.00 12.30 C ATOM 0 H ILE A 23 3.766 5.755 -4.604 1.00 8.32 H new ATOM 0 HA ILE A 23 2.586 3.403 -3.605 1.00 9.92 H new ATOM 0 HB ILE A 23 1.994 6.340 -3.220 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.064 5.879 -2.366 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.973 5.889 -0.995 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.609 5.651 -1.229 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.097 5.058 -2.751 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.805 3.945 -1.695 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.665 4.176 -0.755 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.051 3.439 -0.897 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.160 3.429 -2.289 1.00 12.30 H new ATOM 372 N GLU A 24 0.719 4.893 -5.772 1.00 9.54 N ATOM 373 CA GLU A 24 -0.298 4.621 -6.747 1.00 11.81 C ATOM 374 C GLU A 24 -0.198 3.199 -7.430 1.00 11.14 C ATOM 375 O GLU A 24 -1.140 2.459 -7.589 1.00 10.62 O ATOM 376 CB GLU A 24 -0.213 5.737 -7.784 1.00 19.24 C ATOM 377 CG GLU A 24 -1.366 5.863 -8.829 1.00 27.76 C ATOM 378 CD GLU A 24 -1.095 7.006 -9.717 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.060 6.896 -10.414 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.820 8.021 -9.715 1.00 36.51 O ATOM 0 H GLU A 24 1.199 5.781 -5.918 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.264 4.596 -6.243 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.144 6.684 -7.249 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.721 5.612 -8.332 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.446 4.946 -9.412 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.320 6.001 -8.320 1.00 27.76 H new ATOM 387 N ASN A 25 1.076 2.737 -7.865 1.00 9.43 N ATOM 388 CA ASN A 25 1.456 1.453 -8.397 1.00 10.96 C ATOM 389 C ASN A 25 1.194 0.336 -7.390 1.00 9.68 C ATOM 390 O ASN A 25 0.665 -0.672 -7.840 1.00 9.33 O ATOM 391 CB ASN A 25 2.912 1.540 -8.877 1.00 16.78 C ATOM 392 CG ASN A 25 3.163 0.541 -10.075 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.798 -0.502 -9.892 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.567 0.870 -11.251 1.00 24.70 N ATOM 0 H ASN A 25 1.883 3.359 -7.820 1.00 9.43 H new ATOM 0 HA ASN A 25 0.840 1.193 -9.258 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.136 2.559 -9.193 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.587 1.306 -8.054 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.630 0.238 -12.049 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.056 1.749 -11.336 1.00 24.70 H new ATOM 401 N VAL A 26 1.505 0.509 -6.105 1.00 6.52 N ATOM 402 CA VAL A 26 1.333 -0.431 -5.038 1.00 5.53 C ATOM 403 C VAL A 26 -0.179 -0.694 -4.828 1.00 4.42 C ATOM 404 O VAL A 26 -0.532 -1.857 -4.734 1.00 3.40 O ATOM 405 CB VAL A 26 1.937 0.094 -3.720 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.729 -0.982 -2.628 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.445 0.438 -3.964 1.00 8.12 C ATOM 0 H VAL A 26 1.914 1.383 -5.776 1.00 6.52 H new ATOM 0 HA VAL A 26 1.850 -1.351 -5.311 1.00 5.53 H new ATOM 0 HB VAL A 26 1.448 1.007 -3.379 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.150 -0.630 -1.686 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.663 -1.171 -2.501 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.228 -1.904 -2.926 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.887 0.811 -3.040 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.976 -0.459 -4.284 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.523 1.201 -4.738 1.00 8.12 H new ATOM 417 N LYS A 27 -1.063 0.377 -4.858 1.00 2.64 N ATOM 418 CA LYS A 27 -2.515 0.204 -4.830 1.00 4.14 C ATOM 419 C LYS A 27 -3.034 -0.446 -6.133 1.00 5.58 C ATOM 420 O LYS A 27 -4.000 -1.186 -6.186 1.00 4.11 O ATOM 421 CB LYS A 27 -3.182 1.563 -4.580 1.00 3.97 C ATOM 422 CG LYS A 27 -2.706 2.270 -3.308 1.00 7.45 C ATOM 423 CD LYS A 27 -3.416 3.538 -2.869 1.00 9.02 C ATOM 424 CE LYS A 27 -3.362 4.700 -3.850 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.391 5.777 -3.708 1.00 15.47 N ATOM 0 H LYS A 27 -0.764 1.351 -4.901 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.774 -0.475 -4.017 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.992 2.211 -5.435 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.261 1.420 -4.521 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.771 1.554 -2.488 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.651 2.510 -3.439 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.462 3.298 -2.676 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.984 3.865 -1.923 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.378 5.163 -3.768 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.440 4.292 -4.858 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.227 6.511 -4.427 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.339 5.370 -3.838 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.323 6.199 -2.760 1.00 15.47 H new ATOM 439 N ALA A 28 -2.226 -0.335 -7.249 1.00 6.61 N ATOM 440 CA ALA A 28 -2.633 -1.148 -8.463 1.00 7.74 C ATOM 441 C ALA A 28 -2.396 -2.663 -8.281 1.00 9.17 C ATOM 442 O ALA A 28 -3.199 -3.524 -8.672 1.00 11.45 O ATOM 443 CB ALA A 28 -1.912 -0.689 -9.757 1.00 7.68 C ATOM 0 H ALA A 28 -1.386 0.237 -7.338 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.703 -0.968 -8.564 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.240 -1.305 -10.594 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.153 0.355 -9.957 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.835 -0.794 -9.630 1.00 7.68 H new ATOM 449 N LYS A 29 -1.215 -2.971 -7.688 1.00 8.96 N ATOM 450 CA LYS A 29 -0.924 -4.363 -7.336 1.00 7.90 C ATOM 451 C LYS A 29 -1.939 -4.932 -6.313 1.00 6.92 C ATOM 452 O LYS A 29 -2.413 -6.063 -6.349 1.00 6.87 O ATOM 453 CB LYS A 29 0.544 -4.441 -6.844 1.00 10.28 C ATOM 454 CG LYS A 29 1.558 -4.060 -7.889 1.00 14.94 C ATOM 455 CD LYS A 29 2.984 -4.090 -7.280 1.00 19.69 C ATOM 456 CE LYS A 29 4.008 -3.251 -8.047 1.00 22.63 C ATOM 457 NZ LYS A 29 4.174 -3.813 -9.415 1.00 24.98 N ATOM 0 H LYS A 29 -0.484 -2.299 -7.456 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.035 -4.998 -8.215 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.663 -3.786 -5.981 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.750 -5.456 -6.505 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.499 -4.748 -8.732 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.339 -3.064 -8.274 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.936 -3.734 -6.251 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.330 -5.123 -7.244 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.677 -2.214 -8.104 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.963 -3.252 -7.522 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.918 -3.288 -9.918 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.442 -4.816 -9.348 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.278 -3.728 -9.936 1.00 24.98 H new ATOM 471 N ILE A 30 -2.343 -4.121 -5.297 1.00 4.57 N ATOM 472 CA ILE A 30 -3.529 -4.424 -4.466 1.00 5.58 C ATOM 473 C ILE A 30 -4.861 -4.575 -5.216 1.00 7.26 C ATOM 474 O ILE A 30 -5.705 -5.408 -4.943 1.00 9.46 O ATOM 475 CB ILE A 30 -3.719 -3.388 -3.352 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.581 -3.458 -2.314 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.073 -3.663 -2.641 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.637 -4.763 -1.531 1.00 2.00 C ATOM 0 H ILE A 30 -1.864 -3.258 -5.039 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.291 -5.407 -4.060 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.709 -2.394 -3.799 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.618 -3.373 -2.818 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.657 -2.614 -1.628 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.221 -2.933 -1.845 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.886 -3.583 -3.363 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.063 -4.666 -2.215 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.824 -4.787 -0.806 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.591 -4.833 -1.009 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.536 -5.604 -2.217 1.00 2.00 H new ATOM 490 N GLN A 31 -5.131 -3.722 -6.242 1.00 7.06 N ATOM 491 CA GLN A 31 -6.341 -3.817 -7.087 1.00 8.67 C ATOM 492 C GLN A 31 -6.462 -5.095 -7.878 1.00 10.90 C ATOM 493 O GLN A 31 -7.537 -5.711 -7.923 1.00 9.63 O ATOM 494 CB GLN A 31 -6.593 -2.637 -8.017 1.00 9.12 C ATOM 495 CG GLN A 31 -7.966 -2.768 -8.750 1.00 10.76 C ATOM 496 CD GLN A 31 -8.189 -1.520 -9.688 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.222 -0.844 -9.694 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.176 -1.184 -10.437 1.00 14.76 N ATOM 0 H GLN A 31 -4.513 -2.953 -6.501 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.118 -3.805 -6.322 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.572 -1.710 -7.444 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.791 -2.575 -8.753 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.989 -3.686 -9.338 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.773 -2.836 -8.021 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.326 -1.747 -10.427 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.234 -0.358 -11.033 1.00 14.76 H new ATOM 507 N ASP A 32 -5.351 -5.532 -8.438 1.00 10.93 N ATOM 508 CA ASP A 32 -5.250 -6.749 -9.155 1.00 14.01 C ATOM 509 C ASP A 32 -5.524 -7.975 -8.268 1.00 14.04 C ATOM 510 O ASP A 32 -6.287 -8.864 -8.699 1.00 13.39 O ATOM 511 CB ASP A 32 -3.841 -6.689 -9.746 1.00 18.01 C ATOM 512 CG ASP A 32 -3.495 -7.846 -10.661 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.161 -7.953 -11.720 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.592 -8.646 -10.407 1.00 26.29 O ATOM 0 H ASP A 32 -4.472 -5.016 -8.394 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.003 -6.863 -9.935 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.733 -5.758 -10.302 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.119 -6.659 -8.930 1.00 18.01 H new ATOM 519 N LYS A 33 -4.979 -8.053 -7.053 1.00 14.22 N ATOM 520 CA LYS A 33 -5.259 -9.049 -5.996 1.00 14.00 C ATOM 521 C LYS A 33 -6.722 -9.083 -5.513 1.00 12.37 C ATOM 522 O LYS A 33 -7.409 -10.141 -5.567 1.00 12.17 O ATOM 523 CB LYS A 33 -4.405 -8.729 -4.738 1.00 18.62 C ATOM 524 CG LYS A 33 -2.866 -8.917 -4.891 1.00 24.00 C ATOM 525 CD LYS A 33 -2.390 -10.379 -4.557 1.00 27.61 C ATOM 526 CE LYS A 33 -0.897 -10.678 -4.570 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.542 -10.979 -5.962 1.00 30.06 N ATOM 0 H LYS A 33 -4.278 -7.376 -6.752 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.023 -10.010 -6.454 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.598 -7.697 -4.446 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.749 -9.362 -3.920 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.575 -8.670 -5.912 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.352 -8.215 -4.235 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.770 -10.634 -3.568 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.869 -11.054 -5.266 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.328 -9.825 -4.201 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.665 -11.522 -3.920 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.474 -11.191 -6.023 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.088 -11.802 -6.289 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.761 -10.158 -6.561 1.00 30.06 H new ATOM 541 N GLU A 34 -7.230 -7.885 -5.050 1.00 10.11 N ATOM 542 CA GLU A 34 -8.424 -7.912 -4.158 1.00 10.07 C ATOM 543 C GLU A 34 -9.631 -7.229 -4.870 1.00 9.32 C ATOM 544 O GLU A 34 -10.754 -7.259 -4.402 1.00 11.61 O ATOM 545 CB GLU A 34 -8.143 -7.266 -2.775 1.00 14.77 C ATOM 546 CG GLU A 34 -7.210 -8.150 -1.945 1.00 18.75 C ATOM 547 CD GLU A 34 -7.921 -9.461 -1.533 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.199 -9.345 -1.384 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.242 -10.501 -1.446 1.00 25.19 O ATOM 0 H GLU A 34 -6.857 -6.961 -5.266 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.672 -8.955 -3.962 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.694 -6.282 -2.912 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.081 -7.116 -2.241 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.314 -8.382 -2.520 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.887 -7.611 -1.055 1.00 18.75 H new ATOM 556 N GLY A 35 -9.428 -6.558 -6.027 1.00 7.22 N ATOM 557 CA GLY A 35 -10.445 -5.904 -6.815 1.00 6.29 C ATOM 558 C GLY A 35 -10.727 -4.409 -6.401 1.00 6.93 C ATOM 559 O GLY A 35 -11.424 -3.638 -7.053 1.00 7.41 O ATOM 0 H GLY A 35 -8.499 -6.466 -6.438 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.147 -5.928 -7.863 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.372 -6.472 -6.734 1.00 6.29 H new ATOM 563 N ILE A 36 -10.138 -4.040 -5.269 1.00 5.86 N ATOM 564 CA ILE A 36 -10.253 -2.743 -4.610 1.00 6.07 C ATOM 565 C ILE A 36 -9.764 -1.580 -5.482 1.00 6.36 C ATOM 566 O ILE A 36 -8.606 -1.539 -5.836 1.00 6.18 O ATOM 567 CB ILE A 36 -9.545 -2.694 -3.245 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.873 -3.976 -2.406 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.930 -1.424 -2.481 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.136 -4.014 -1.086 1.00 9.49 C ATOM 0 H ILE A 36 -9.530 -4.677 -4.755 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.323 -2.620 -4.444 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.469 -2.670 -3.417 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.946 -4.019 -2.220 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.615 -4.861 -2.987 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.418 -1.409 -1.519 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.638 -0.548 -3.061 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.008 -1.409 -2.319 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.401 -4.924 -0.547 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.062 -4.001 -1.269 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.413 -3.145 -0.489 1.00 9.49 H new ATOM 582 N PRO A 37 -10.582 -0.596 -5.893 1.00 8.65 N ATOM 583 CA PRO A 37 -10.072 0.649 -6.447 1.00 9.18 C ATOM 584 C PRO A 37 -9.037 1.409 -5.633 1.00 9.85 C ATOM 585 O PRO A 37 -9.367 1.663 -4.492 1.00 8.51 O ATOM 586 CB PRO A 37 -11.317 1.521 -6.558 1.00 11.42 C ATOM 587 CG PRO A 37 -12.381 0.504 -6.896 1.00 9.27 C ATOM 588 CD PRO A 37 -12.019 -0.562 -5.900 1.00 8.33 C ATOM 0 HA PRO A 37 -9.540 0.413 -7.369 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.533 2.044 -5.627 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.216 2.280 -7.334 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.391 0.888 -6.752 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.317 0.155 -7.927 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.413 -0.327 -4.911 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.435 -1.528 -6.188 1.00 8.33 H new ATOM 596 N PRO A 38 -7.894 1.968 -6.145 1.00 8.71 N ATOM 597 CA PRO A 38 -6.922 2.776 -5.473 1.00 9.08 C ATOM 598 C PRO A 38 -7.534 4.001 -4.839 1.00 9.28 C ATOM 599 O PRO A 38 -6.921 4.367 -3.798 1.00 6.50 O ATOM 600 CB PRO A 38 -5.817 3.018 -6.492 1.00 10.31 C ATOM 601 CG PRO A 38 -5.863 1.741 -7.293 1.00 10.81 C ATOM 602 CD PRO A 38 -7.353 1.427 -7.379 1.00 12.00 C ATOM 0 HA PRO A 38 -6.488 2.284 -4.603 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.012 3.896 -7.108 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.847 3.170 -6.018 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.423 1.871 -8.282 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.312 0.939 -6.802 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.810 1.891 -8.253 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.532 0.355 -7.458 1.00 12.00 H new ATOM 610 N ASP A 39 -8.574 4.578 -5.484 1.00 11.20 N ATOM 611 CA ASP A 39 -9.257 5.636 -4.831 1.00 14.96 C ATOM 612 C ASP A 39 -9.968 5.254 -3.480 1.00 13.99 C ATOM 613 O ASP A 39 -10.102 6.038 -2.578 1.00 13.75 O ATOM 614 CB ASP A 39 -10.166 6.357 -5.860 1.00 24.16 C ATOM 615 CG ASP A 39 -9.388 7.057 -6.970 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.531 7.941 -6.711 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.650 6.732 -8.144 1.00 34.22 O ATOM 0 H ASP A 39 -8.920 4.322 -6.409 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.507 6.342 -4.473 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.845 5.630 -6.305 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.781 7.091 -5.339 1.00 24.16 H new ATOM 622 N GLN A 40 -10.466 3.975 -3.360 1.00 11.60 N ATOM 623 CA GLN A 40 -11.033 3.453 -2.099 1.00 10.76 C ATOM 624 C GLN A 40 -9.884 3.213 -1.102 1.00 8.01 C ATOM 625 O GLN A 40 -10.047 3.278 0.108 1.00 8.96 O ATOM 626 CB GLN A 40 -11.808 2.140 -2.267 1.00 11.14 C ATOM 627 CG GLN A 40 -13.147 2.208 -3.010 1.00 14.85 C ATOM 628 CD GLN A 40 -14.026 0.951 -2.911 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.698 0.053 -2.163 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.188 0.962 -3.586 1.00 18.16 N ATOM 0 H GLN A 40 -10.478 3.303 -4.128 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.741 4.200 -1.741 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.166 1.433 -2.792 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.992 1.727 -1.275 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.713 3.056 -2.625 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.948 2.408 -4.063 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.413 1.743 -4.202 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.845 0.189 -3.482 1.00 18.16 H new ATOM 639 N GLN A 41 -8.711 2.726 -1.675 1.00 6.52 N ATOM 640 CA GLN A 41 -7.575 2.346 -0.886 1.00 3.87 C ATOM 641 C GLN A 41 -6.847 3.462 -0.248 1.00 4.79 C ATOM 642 O GLN A 41 -6.530 4.519 -0.834 1.00 6.34 O ATOM 643 CB GLN A 41 -6.547 1.465 -1.626 1.00 4.20 C ATOM 644 CG GLN A 41 -7.159 0.183 -2.300 1.00 3.20 C ATOM 645 CD GLN A 41 -6.003 -0.428 -3.054 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.871 -0.570 -2.601 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.290 -0.733 -4.357 1.00 7.13 N ATOM 0 H GLN A 41 -8.580 2.607 -2.680 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.055 1.758 -0.104 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.057 2.065 -2.393 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.775 1.157 -0.920 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.558 -0.506 -1.556 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.980 0.439 -2.970 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.237 -0.608 -4.713 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.556 -1.086 -4.972 1.00 7.13 H new ATOM 656 N ARG A 42 -6.330 3.210 0.982 1.00 5.73 N ATOM 657 CA ARG A 42 -5.293 4.003 1.571 1.00 6.97 C ATOM 658 C ARG A 42 -4.165 3.119 2.233 1.00 7.15 C ATOM 659 O ARG A 42 -4.451 2.156 2.913 1.00 7.33 O ATOM 660 CB ARG A 42 -5.763 5.135 2.545 1.00 13.23 C ATOM 661 CG ARG A 42 -6.236 6.424 1.878 1.00 21.27 C ATOM 662 CD ARG A 42 -6.405 7.551 2.917 1.00 26.14 C ATOM 663 NE ARG A 42 -6.583 8.852 2.170 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.451 9.819 2.565 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.320 9.684 3.578 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.575 10.932 1.908 1.00 36.39 N ATOM 0 H ARG A 42 -6.643 2.439 1.572 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.873 4.533 0.716 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.574 4.746 3.160 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.940 5.376 3.218 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.517 6.730 1.118 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.184 6.248 1.369 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.268 7.356 3.554 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.533 7.602 3.569 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.026 9.011 1.331 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.357 8.812 4.106 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.944 10.453 3.821 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.013 11.097 1.073 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.235 11.642 2.227 1.00 36.39 H new ATOM 680 N LEU A 43 -2.884 3.518 2.044 1.00 4.65 N ATOM 681 CA LEU A 43 -1.724 2.675 2.463 1.00 3.51 C ATOM 682 C LEU A 43 -0.930 3.288 3.613 1.00 5.56 C ATOM 683 O LEU A 43 -0.425 4.390 3.515 1.00 4.19 O ATOM 684 CB LEU A 43 -0.812 2.410 1.241 1.00 3.74 C ATOM 685 CG LEU A 43 -1.442 1.574 0.085 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.290 1.071 -0.764 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.091 0.310 0.653 1.00 6.41 C ATOM 0 H LEU A 43 -2.624 4.404 1.611 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.120 1.731 2.839 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.493 3.370 0.836 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.085 1.896 1.587 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.166 2.183 -0.456 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.680 0.477 -1.591 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.269 1.920 -1.158 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.370 0.454 -0.154 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.530 -0.270 -0.159 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.336 -0.290 1.161 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.871 0.588 1.362 1.00 6.41 H new ATOM 699 N ILE A 44 -0.852 2.485 4.738 1.00 4.58 N ATOM 700 CA ILE A 44 -0.158 2.839 5.979 1.00 5.55 C ATOM 701 C ILE A 44 1.143 2.002 6.084 1.00 5.46 C ATOM 702 O ILE A 44 1.137 0.783 5.832 1.00 6.04 O ATOM 703 CB ILE A 44 -1.020 2.715 7.269 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.457 3.270 7.191 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.316 3.397 8.438 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.573 4.776 6.875 1.00 13.90 C ATOM 0 H ILE A 44 -1.287 1.563 4.778 1.00 4.58 H new ATOM 0 HA ILE A 44 0.075 3.902 5.918 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.122 1.638 7.406 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.001 2.714 6.428 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.954 3.077 8.142 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.928 3.304 9.335 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.651 2.923 8.607 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.167 4.452 8.208 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.625 5.061 6.844 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.064 5.350 7.649 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.112 4.982 5.909 1.00 13.90 H new ATOM 718 N PHE A 45 2.206 2.714 6.523 1.00 6.75 N ATOM 719 CA PHE A 45 3.386 2.080 6.945 1.00 4.70 C ATOM 720 C PHE A 45 3.874 2.706 8.249 1.00 6.34 C ATOM 721 O PHE A 45 4.213 3.867 8.445 1.00 5.45 O ATOM 722 CB PHE A 45 4.466 2.410 5.834 1.00 5.51 C ATOM 723 CG PHE A 45 5.821 1.866 6.059 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.000 0.517 6.450 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.943 2.709 6.106 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.328 0.015 6.691 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.225 2.206 6.438 1.00 6.64 C ATOM 728 CZ PHE A 45 8.457 0.897 6.632 1.00 6.84 C ATOM 0 H PHE A 45 2.229 3.732 6.578 1.00 6.75 H new ATOM 0 HA PHE A 45 3.225 1.012 7.092 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.100 2.034 4.878 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.543 3.493 5.742 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.145 -0.132 6.567 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.826 3.760 5.885 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.474 -1.031 6.917 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.046 2.900 6.539 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.463 0.520 6.740 1.00 6.84 H new ATOM 738 N ALA A 46 3.969 1.802 9.248 1.00 6.53 N ATOM 739 CA ALA A 46 4.454 2.188 10.624 1.00 7.15 C ATOM 740 C ALA A 46 3.689 3.300 11.260 1.00 9.00 C ATOM 741 O ALA A 46 4.271 4.174 11.897 1.00 11.15 O ATOM 742 CB ALA A 46 6.055 2.388 10.677 1.00 8.99 C ATOM 0 H ALA A 46 3.726 0.816 9.148 1.00 6.53 H new ATOM 0 HA ALA A 46 4.233 1.329 11.258 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.354 2.665 11.688 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.547 1.457 10.395 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.346 3.177 9.984 1.00 8.99 H new ATOM 748 N GLY A 47 2.352 3.240 11.078 1.00 9.35 N ATOM 749 CA GLY A 47 1.483 4.303 11.625 1.00 11.68 C ATOM 750 C GLY A 47 1.371 5.521 10.750 1.00 11.14 C ATOM 751 O GLY A 47 0.662 6.445 11.169 1.00 13.93 O ATOM 0 H GLY A 47 1.866 2.497 10.576 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.486 3.894 11.787 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.867 4.604 12.600 1.00 11.68 H new ATOM 755 N LYS A 48 2.069 5.498 9.598 1.00 10.47 N ATOM 756 CA LYS A 48 2.176 6.660 8.754 1.00 8.82 C ATOM 757 C LYS A 48 1.532 6.439 7.428 1.00 7.68 C ATOM 758 O LYS A 48 1.768 5.425 6.777 1.00 6.47 O ATOM 759 CB LYS A 48 3.700 6.989 8.658 1.00 9.74 C ATOM 760 CG LYS A 48 4.045 8.214 7.759 1.00 14.14 C ATOM 761 CD LYS A 48 5.464 8.724 8.083 1.00 16.32 C ATOM 762 CE LYS A 48 6.053 9.598 6.976 1.00 20.04 C ATOM 763 NZ LYS A 48 5.227 10.784 6.654 1.00 23.92 N ATOM 0 H LYS A 48 2.561 4.676 9.247 1.00 10.47 H new ATOM 0 HA LYS A 48 1.639 7.512 9.172 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.082 7.173 9.662 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.223 6.114 8.273 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.982 7.933 6.708 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.318 9.010 7.920 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.436 9.294 9.012 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.121 7.871 8.252 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.047 9.929 7.276 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.176 8.996 6.076 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.693 11.340 5.909 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.291 10.475 6.322 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.116 11.371 7.505 1.00 23.92 H new ATOM 777 N GLN A 49 0.718 7.394 7.048 1.00 8.89 N ATOM 778 CA GLN A 49 -0.033 7.298 5.828 1.00 7.18 C ATOM 779 C GLN A 49 0.804 7.721 4.662 1.00 8.23 C ATOM 780 O GLN A 49 1.621 8.663 4.769 1.00 9.70 O ATOM 781 CB GLN A 49 -1.307 8.178 6.068 1.00 11.67 C ATOM 782 CG GLN A 49 -2.400 8.104 4.965 1.00 15.82 C ATOM 783 CD GLN A 49 -3.648 8.882 5.263 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.569 8.452 6.048 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.692 10.095 4.724 1.00 20.67 N ATOM 0 H GLN A 49 0.561 8.253 7.575 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.334 6.281 5.578 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.755 7.883 7.017 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.993 9.217 6.173 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.977 8.468 4.029 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.669 7.059 4.809 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.943 10.405 4.104 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.474 10.716 4.930 1.00 20.67 H new ATOM 794 N LEU A 50 0.528 7.127 3.486 1.00 6.51 N ATOM 795 CA LEU A 50 1.345 7.279 2.310 1.00 7.41 C ATOM 796 C LEU A 50 0.618 8.015 1.178 1.00 8.27 C ATOM 797 O LEU A 50 -0.611 8.076 1.231 1.00 8.34 O ATOM 798 CB LEU A 50 1.830 5.910 1.764 1.00 7.13 C ATOM 799 CG LEU A 50 2.522 5.044 2.889 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.175 3.780 2.203 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.569 5.806 3.660 1.00 9.11 C ATOM 0 H LEU A 50 -0.283 6.525 3.344 1.00 6.51 H new ATOM 0 HA LEU A 50 2.200 7.875 2.631 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.983 5.362 1.352 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.532 6.072 0.946 1.00 7.13 H new ATOM 0 HG LEU A 50 1.759 4.755 3.612 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.660 3.165 2.961 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.401 3.197 1.703 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.915 4.105 1.471 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.007 5.157 4.418 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.349 6.145 2.978 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.109 6.668 4.143 1.00 9.11 H new ATOM 813 N GLU A 51 1.404 8.612 0.184 1.00 9.43 N ATOM 814 CA GLU A 51 0.784 9.405 -0.915 1.00 11.90 C ATOM 815 C GLU A 51 1.155 8.885 -2.304 1.00 11.49 C ATOM 816 O GLU A 51 2.326 8.593 -2.612 1.00 9.88 O ATOM 817 CB GLU A 51 1.103 10.902 -0.655 1.00 16.56 C ATOM 818 CG GLU A 51 0.639 11.519 0.681 1.00 26.06 C ATOM 819 CD GLU A 51 0.791 13.005 0.880 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.533 13.750 0.222 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.192 13.476 1.879 1.00 33.44 O ATOM 0 H GLU A 51 2.421 8.549 0.142 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.300 9.290 -0.910 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.183 11.031 -0.725 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.660 11.483 -1.463 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.415 11.274 0.811 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.183 11.020 1.483 1.00 26.06 H new ATOM 828 N ASP A 52 0.101 8.742 -3.166 1.00 12.71 N ATOM 829 CA ASP A 52 0.050 8.291 -4.554 1.00 16.56 C ATOM 830 C ASP A 52 1.275 8.598 -5.398 1.00 15.83 C ATOM 831 O ASP A 52 1.838 7.701 -6.004 1.00 17.21 O ATOM 832 CB ASP A 52 -1.127 8.900 -5.289 1.00 21.05 C ATOM 833 CG ASP A 52 -2.424 8.244 -4.790 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.821 8.465 -3.583 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.067 7.450 -5.519 1.00 25.82 O ATOM 0 H ASP A 52 -0.838 8.975 -2.842 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.027 7.209 -4.447 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.160 9.976 -5.120 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.018 8.750 -6.363 1.00 21.05 H new ATOM 840 N GLY A 53 1.817 9.825 -5.455 1.00 15.00 N ATOM 841 CA GLY A 53 2.871 10.223 -6.413 1.00 11.77 C ATOM 842 C GLY A 53 4.242 9.894 -5.921 1.00 11.10 C ATOM 843 O GLY A 53 5.111 10.042 -6.755 1.00 11.25 O ATOM 0 H GLY A 53 1.535 10.581 -4.831 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.700 9.722 -7.366 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.802 11.295 -6.600 1.00 11.77 H new ATOM 847 N ARG A 54 4.403 9.310 -4.746 1.00 8.53 N ATOM 848 CA ARG A 54 5.699 9.123 -4.136 1.00 9.05 C ATOM 849 C ARG A 54 6.069 7.671 -4.234 1.00 8.96 C ATOM 850 O ARG A 54 5.177 6.865 -4.436 1.00 11.60 O ATOM 851 CB ARG A 54 5.825 9.420 -2.669 1.00 7.97 C ATOM 852 CG ARG A 54 5.271 10.863 -2.269 1.00 9.62 C ATOM 853 CD ARG A 54 6.156 11.954 -2.731 1.00 12.20 C ATOM 854 NE ARG A 54 5.784 13.179 -2.003 1.00 18.23 N ATOM 855 CZ ARG A 54 6.317 14.368 -2.180 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.298 14.625 -3.007 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.770 15.357 -1.479 1.00 23.38 N ATOM 0 H ARG A 54 3.629 8.951 -4.188 1.00 8.53 H new ATOM 0 HA ARG A 54 6.326 9.831 -4.677 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.284 8.661 -2.104 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.873 9.347 -2.379 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.277 10.999 -2.696 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.163 10.920 -1.186 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.200 11.702 -2.545 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.050 12.102 -3.806 1.00 12.20 H new ATOM 0 HE ARG A 54 5.049 13.098 -1.300 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.701 13.875 -3.569 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.660 15.575 -3.090 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.987 15.166 -0.853 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.133 16.306 -1.567 1.00 23.38 H new ATOM 871 N THR A 55 7.318 7.318 -4.019 1.00 9.05 N ATOM 872 CA THR A 55 7.871 5.966 -4.251 1.00 9.03 C ATOM 873 C THR A 55 7.975 5.307 -2.859 1.00 8.15 C ATOM 874 O THR A 55 8.003 5.946 -1.780 1.00 5.91 O ATOM 875 CB THR A 55 9.201 5.913 -4.992 1.00 11.15 C ATOM 876 OG1 THR A 55 10.250 6.536 -4.283 1.00 11.95 O ATOM 877 CG2 THR A 55 9.156 6.554 -6.403 1.00 11.71 C ATOM 0 H THR A 55 8.015 7.974 -3.666 1.00 9.05 H new ATOM 0 HA THR A 55 7.202 5.432 -4.926 1.00 9.03 H new ATOM 0 HB THR A 55 9.392 4.844 -5.087 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.958 5.882 -4.104 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.139 6.478 -6.868 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.422 6.031 -7.017 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.875 7.604 -6.317 1.00 11.71 H new ATOM 885 N LEU A 56 8.105 3.906 -2.813 1.00 6.91 N ATOM 886 CA LEU A 56 8.411 3.181 -1.646 1.00 8.29 C ATOM 887 C LEU A 56 9.769 3.563 -0.976 1.00 8.05 C ATOM 888 O LEU A 56 9.897 3.659 0.246 1.00 10.17 O ATOM 889 CB LEU A 56 8.524 1.654 -2.009 1.00 6.60 C ATOM 890 CG LEU A 56 7.247 0.916 -2.458 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.570 -0.443 -3.043 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.273 0.784 -1.345 1.00 8.64 C ATOM 0 H LEU A 56 7.984 3.314 -3.635 1.00 6.91 H new ATOM 0 HA LEU A 56 7.608 3.415 -0.947 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.263 1.554 -2.804 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.921 1.133 -1.138 1.00 6.60 H new ATOM 0 HG LEU A 56 6.787 1.522 -3.239 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.647 -0.936 -3.349 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.221 -0.321 -3.909 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.075 -1.052 -2.293 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.386 0.259 -1.698 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.727 0.221 -0.529 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.991 1.775 -0.989 1.00 8.64 H new ATOM 904 N SER A 57 10.875 3.709 -1.777 1.00 8.92 N ATOM 905 CA SER A 57 12.130 4.295 -1.290 1.00 9.00 C ATOM 906 C SER A 57 12.073 5.641 -0.567 1.00 9.44 C ATOM 907 O SER A 57 12.919 5.924 0.352 1.00 10.91 O ATOM 908 CB SER A 57 13.126 4.401 -2.489 1.00 10.32 C ATOM 909 OG SER A 57 12.499 5.013 -3.566 1.00 13.59 O ATOM 0 H SER A 57 10.903 3.424 -2.756 1.00 8.92 H new ATOM 0 HA SER A 57 12.449 3.608 -0.506 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.005 4.974 -2.194 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.473 3.408 -2.774 1.00 10.32 H new ATOM 0 HG SER A 57 13.127 5.079 -4.316 1.00 13.59 H new ATOM 915 N ASP A 58 11.240 6.582 -0.975 1.00 9.11 N ATOM 916 CA ASP A 58 11.124 7.910 -0.370 1.00 7.91 C ATOM 917 C ASP A 58 10.710 7.804 1.060 1.00 9.12 C ATOM 918 O ASP A 58 11.153 8.578 1.895 1.00 8.61 O ATOM 919 CB ASP A 58 10.050 8.690 -1.125 1.00 8.41 C ATOM 920 CG ASP A 58 10.039 10.159 -0.908 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.126 10.818 -1.037 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.996 10.762 -0.559 1.00 11.70 O ATOM 0 H ASP A 58 10.603 6.445 -1.760 1.00 9.11 H new ATOM 0 HA ASP A 58 12.090 8.411 -0.424 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.174 8.501 -2.191 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.075 8.294 -0.842 1.00 8.41 H new ATOM 927 N TYR A 59 9.872 6.806 1.376 1.00 7.97 N ATOM 928 CA TYR A 59 9.310 6.499 2.692 1.00 8.45 C ATOM 929 C TYR A 59 10.214 5.500 3.430 1.00 10.98 C ATOM 930 O TYR A 59 9.846 5.074 4.579 1.00 12.95 O ATOM 931 CB TYR A 59 7.903 5.847 2.565 1.00 7.94 C ATOM 932 CG TYR A 59 6.839 6.942 2.232 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.436 7.992 3.115 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.093 6.825 1.045 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.492 8.944 2.720 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.044 7.697 0.682 1.00 6.52 C ATOM 937 CZ TYR A 59 4.901 8.781 1.483 1.00 6.76 C ATOM 938 OH TYR A 59 3.978 9.708 1.102 1.00 7.63 O ATOM 0 H TYR A 59 9.549 6.148 0.667 1.00 7.97 H new ATOM 0 HA TYR A 59 9.235 7.439 3.239 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.913 5.088 1.783 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.641 5.343 3.495 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.868 8.050 4.103 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.338 6.018 0.370 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.235 9.776 3.359 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.404 7.514 -0.169 1.00 6.52 H new ATOM 0 HH TYR A 59 4.426 10.561 0.922 1.00 7.63 H new ATOM 948 N ASN A 60 11.428 5.194 2.862 1.00 12.38 N ATOM 949 CA ASN A 60 12.278 4.147 3.363 1.00 13.94 C ATOM 950 C ASN A 60 11.601 2.755 3.544 1.00 14.16 C ATOM 951 O ASN A 60 11.751 2.195 4.617 1.00 14.26 O ATOM 952 CB ASN A 60 12.998 4.639 4.652 1.00 19.23 C ATOM 953 CG ASN A 60 14.189 3.803 5.008 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.678 3.022 4.188 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.622 3.909 6.292 1.00 24.09 N ATOM 0 H ASN A 60 11.809 5.684 2.052 1.00 12.38 H new ATOM 0 HA ASN A 60 13.014 3.950 2.583 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.314 5.673 4.514 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.292 4.630 5.483 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.390 3.324 6.621 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.179 4.574 6.926 1.00 24.09 H new ATOM 962 N ILE A 61 10.842 2.279 2.520 1.00 11.08 N ATOM 963 CA ILE A 61 10.212 1.021 2.652 1.00 11.78 C ATOM 964 C ILE A 61 11.071 -0.076 2.129 1.00 13.74 C ATOM 965 O ILE A 61 11.293 -0.116 0.881 1.00 14.60 O ATOM 966 CB ILE A 61 8.810 0.987 2.048 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.945 2.076 2.718 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.167 -0.403 2.190 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.524 2.233 2.185 1.00 11.42 C ATOM 0 H ILE A 61 10.679 2.761 1.636 1.00 11.08 H new ATOM 0 HA ILE A 61 10.079 0.855 3.721 1.00 11.78 H new ATOM 0 HB ILE A 61 8.880 1.191 0.980 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.888 1.860 3.785 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.457 3.032 2.613 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.170 -0.390 1.749 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.781 -1.142 1.676 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.093 -0.664 3.246 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.016 3.027 2.733 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.559 2.488 1.126 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.981 1.297 2.315 1.00 11.42 H new ATOM 981 N GLN A 62 11.717 -0.845 3.011 1.00 13.97 N ATOM 982 CA GLN A 62 12.716 -1.850 2.787 1.00 15.52 C ATOM 983 C GLN A 62 12.182 -3.283 2.572 1.00 13.94 C ATOM 984 O GLN A 62 10.957 -3.535 2.493 1.00 12.15 O ATOM 985 CB GLN A 62 13.710 -1.910 3.983 1.00 19.53 C ATOM 986 CG GLN A 62 14.499 -0.539 4.103 1.00 26.38 C ATOM 987 CD GLN A 62 15.296 -0.229 2.847 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.996 -1.071 2.269 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.115 0.981 2.321 1.00 32.71 N ATOM 0 H GLN A 62 11.516 -0.754 4.007 1.00 13.97 H new ATOM 0 HA GLN A 62 13.193 -1.536 1.859 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.168 -2.109 4.907 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.412 -2.732 3.842 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.794 0.270 4.294 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.173 -0.582 4.959 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.536 1.667 2.806 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.555 1.222 1.433 1.00 32.71 H new ATOM 998 N LYS A 63 13.117 -4.201 2.286 1.00 11.73 N ATOM 999 CA LYS A 63 12.698 -5.556 1.904 1.00 11.97 C ATOM 1000 C LYS A 63 11.994 -6.301 3.097 1.00 10.41 C ATOM 1001 O LYS A 63 12.442 -6.245 4.256 1.00 9.59 O ATOM 1002 CB LYS A 63 13.815 -6.467 1.282 1.00 13.73 C ATOM 1003 CG LYS A 63 14.920 -7.044 2.191 1.00 16.98 C ATOM 1004 CD LYS A 63 16.039 -7.716 1.405 1.00 20.19 C ATOM 1005 CE LYS A 63 17.239 -7.967 2.249 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.933 -8.743 3.498 1.00 25.97 N ATOM 0 H LYS A 63 14.124 -4.042 2.310 1.00 11.73 H new ATOM 0 HA LYS A 63 11.986 -5.385 1.097 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.318 -7.308 0.798 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.306 -5.892 0.497 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.340 -6.242 2.799 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.479 -7.767 2.877 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.679 -8.660 0.997 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.316 -7.087 0.559 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.980 -8.511 1.663 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.688 -7.013 2.523 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.822 -9.002 3.972 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.357 -8.159 4.137 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.408 -9.606 3.251 1.00 25.97 H new ATOM 1020 N GLU A 64 10.892 -6.998 2.742 1.00 10.04 N ATOM 1021 CA GLU A 64 10.043 -7.780 3.690 1.00 10.94 C ATOM 1022 C GLU A 64 9.333 -6.879 4.688 1.00 9.74 C ATOM 1023 O GLU A 64 8.849 -7.423 5.709 1.00 9.42 O ATOM 1024 CB GLU A 64 10.851 -8.844 4.460 1.00 18.31 C ATOM 1025 CG GLU A 64 11.429 -9.953 3.510 1.00 24.16 C ATOM 1026 CD GLU A 64 11.838 -11.039 4.320 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.990 -10.951 4.785 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.106 -12.014 4.567 1.00 31.72 O ATOM 0 H GLU A 64 10.557 -7.039 1.780 1.00 10.04 H new ATOM 0 HA GLU A 64 9.301 -8.286 3.072 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.670 -8.361 4.992 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.213 -9.309 5.212 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.674 -10.274 2.792 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.271 -9.565 2.936 1.00 24.16 H new ATOM 1035 N SER A 65 9.242 -5.503 4.465 1.00 6.85 N ATOM 1036 CA SER A 65 8.487 -4.611 5.294 1.00 6.90 C ATOM 1037 C SER A 65 7.000 -4.913 5.382 1.00 4.72 C ATOM 1038 O SER A 65 6.354 -5.326 4.403 1.00 3.91 O ATOM 1039 CB SER A 65 8.504 -3.130 4.683 1.00 7.28 C ATOM 1040 OG SER A 65 9.857 -2.618 4.798 1.00 10.56 O ATOM 0 H SER A 65 9.711 -5.036 3.689 1.00 6.85 H new ATOM 0 HA SER A 65 8.963 -4.722 6.268 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.188 -3.144 3.640 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.806 -2.488 5.219 1.00 7.28 H new ATOM 0 HG SER A 65 10.338 -2.774 3.959 1.00 10.56 H new ATOM 1046 N THR A 66 6.445 -4.728 6.613 1.00 4.48 N ATOM 1047 CA THR A 66 5.061 -4.971 6.847 1.00 3.80 C ATOM 1048 C THR A 66 4.319 -3.673 6.645 1.00 4.60 C ATOM 1049 O THR A 66 4.719 -2.604 7.073 1.00 5.33 O ATOM 1050 CB THR A 66 4.737 -5.497 8.243 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.482 -6.627 8.596 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.288 -5.787 8.465 1.00 3.40 C ATOM 0 H THR A 66 6.964 -4.412 7.432 1.00 4.48 H new ATOM 0 HA THR A 66 4.757 -5.750 6.148 1.00 3.80 H new ATOM 0 HB THR A 66 5.021 -4.668 8.891 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.232 -6.915 9.499 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.142 -6.156 9.480 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.709 -4.875 8.324 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.955 -6.542 7.753 1.00 3.40 H new ATOM 1060 N LEU A 67 3.153 -3.727 5.970 1.00 4.17 N ATOM 1061 CA LEU A 67 2.397 -2.535 5.552 1.00 3.85 C ATOM 1062 C LEU A 67 1.007 -2.872 6.052 1.00 3.80 C ATOM 1063 O LEU A 67 0.768 -3.999 6.507 1.00 5.54 O ATOM 1064 CB LEU A 67 2.451 -2.434 4.022 1.00 7.18 C ATOM 1065 CG LEU A 67 3.349 -1.297 3.528 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.841 -1.574 3.630 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.978 -0.949 2.064 1.00 11.66 C ATOM 0 H LEU A 67 2.709 -4.605 5.699 1.00 4.17 H new ATOM 0 HA LEU A 67 2.761 -1.580 5.931 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.812 -3.378 3.614 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.442 -2.286 3.638 1.00 7.18 H new ATOM 0 HG LEU A 67 3.163 -0.455 4.195 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.397 -0.714 3.258 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.107 -1.755 4.671 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.090 -2.452 3.034 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.616 -0.139 1.710 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.122 -1.827 1.434 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.935 -0.636 2.018 1.00 11.66 H new ATOM 1079 N HIS A 68 0.116 -1.852 6.033 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.230 -2.037 6.571 1.00 4.17 C ATOM 1081 C HIS A 68 -2.167 -1.390 5.603 1.00 5.32 C ATOM 1082 O HIS A 68 -1.921 -0.243 5.219 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.430 -1.372 7.925 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.030 -2.231 9.095 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.227 -2.799 9.242 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.655 -2.519 10.296 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.368 -3.365 10.446 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.811 -3.282 11.103 1.00 16.30 N ATOM 0 H HIS A 68 0.307 -0.922 5.660 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.404 -3.104 6.706 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.854 -0.447 7.953 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.479 -1.097 8.032 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.650 -2.200 10.568 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.273 -3.813 10.829 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.038 -3.695 12.008 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.275 -2.005 5.233 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.270 -1.455 4.321 1.00 3.97 C ATOM 1098 C LEU A 69 -5.420 -0.867 5.161 1.00 5.07 C ATOM 1099 O LEU A 69 -5.899 -1.487 6.111 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.775 -2.592 3.394 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.850 -2.168 2.367 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.273 -1.197 1.376 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.610 -3.323 1.709 1.00 9.96 C ATOM 0 H LEU A 69 -3.519 -2.936 5.570 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.848 -0.665 3.699 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.923 -3.007 2.855 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.181 -3.392 4.013 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.628 -1.658 2.934 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.042 -0.908 0.660 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.915 -0.311 1.901 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.443 -1.666 0.848 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.341 -2.924 1.006 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.907 -3.965 1.177 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.124 -3.904 2.475 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.919 0.311 4.777 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.151 0.897 5.355 1.00 6.26 C ATOM 1117 C VAL A 70 -7.977 1.270 4.174 1.00 9.22 C ATOM 1118 O VAL A 70 -7.533 1.655 3.072 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.868 2.110 6.326 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.169 1.528 7.551 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.103 3.320 5.719 1.00 8.54 C ATOM 0 H VAL A 70 -5.488 0.892 4.058 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.669 0.189 6.001 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.824 2.570 6.577 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.949 2.327 8.259 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.818 0.792 8.025 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.239 1.048 7.246 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.970 4.087 6.482 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.127 2.991 5.361 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.675 3.732 4.887 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.323 1.262 4.367 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.231 1.629 3.260 1.00 16.06 C ATOM 1133 C LEU A 71 -10.985 2.914 3.645 1.00 18.09 C ATOM 1134 O LEU A 71 -11.379 3.139 4.797 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.308 0.605 2.934 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.829 -0.709 2.300 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.997 -1.459 1.668 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.764 -0.446 1.301 1.00 19.57 C ATOM 0 H LEU A 71 -9.784 1.016 5.243 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.583 1.725 2.389 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.842 0.366 3.854 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.027 1.068 2.259 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.410 -1.339 3.085 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.636 -2.387 1.224 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.740 -1.687 2.433 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.451 -0.840 0.894 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.436 -1.388 0.862 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.153 0.204 0.517 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.919 0.040 1.789 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.087 3.757 2.615 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.556 5.148 2.852 1.00 25.83 C ATOM 1152 C ARG A 72 -13.059 5.188 2.990 1.00 27.74 C ATOM 1153 O ARG A 72 -13.833 4.385 2.427 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.155 5.954 1.566 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.217 7.521 1.687 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.509 8.206 0.552 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.890 9.644 0.568 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.202 10.637 -0.093 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.109 10.465 -0.842 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.736 11.854 0.034 1.00 35.02 N ATOM 0 H ARG A 72 -10.865 3.528 1.646 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.119 5.555 3.764 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.140 5.671 1.286 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.809 5.646 0.750 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.259 7.841 1.709 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.769 7.829 2.632 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.429 8.097 0.656 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.785 7.750 -0.399 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.715 9.912 1.104 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.715 9.532 -0.962 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.669 11.267 -1.294 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.584 11.984 0.586 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.296 12.654 -0.421 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.508 6.149 3.775 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.896 6.385 4.001 1.00 30.76 C ATOM 1176 C LEU A 73 -15.563 6.917 2.704 1.00 32.18 C ATOM 1177 O LEU A 73 -14.960 7.639 1.902 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.159 7.388 5.160 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.623 6.884 6.524 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.857 7.956 7.633 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.151 5.529 7.015 1.00 29.11 C ATOM 0 H LEU A 73 -12.896 6.792 4.277 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.332 5.429 4.290 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.691 8.343 4.921 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.231 7.570 5.241 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.562 6.720 6.334 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.475 7.585 8.584 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.336 8.875 7.366 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.924 8.157 7.725 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.700 5.290 7.978 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.234 5.578 7.123 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.894 4.755 6.292 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.842 6.535 2.440 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.514 6.899 1.218 1.00 35.33 C ATOM 1195 C ARG A 74 -17.794 8.435 1.187 1.00 36.22 C ATOM 1196 O ARG A 74 -17.541 9.135 0.208 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.858 6.188 1.065 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.695 4.700 1.155 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.767 4.060 0.134 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.856 2.637 0.526 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.059 1.627 -0.364 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.053 1.844 -1.650 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.302 0.429 0.093 1.00 41.93 N ATOM 0 H ARG A 74 -17.408 5.973 3.076 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.852 6.602 0.405 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.544 6.529 1.840 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.305 6.451 0.106 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.327 4.456 2.152 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.679 4.242 1.057 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.102 4.228 -0.890 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.749 4.444 0.204 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.760 2.400 1.513 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.894 2.786 -2.008 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.207 1.072 -2.298 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.337 0.264 1.099 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.457 -0.343 -0.556 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.189 8.984 2.343 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.178 10.380 2.755 1.00 36.07 C ATOM 1219 C GLY A 75 -16.916 11.129 2.582 1.00 36.16 C ATOM 1220 O GLY A 75 -16.901 12.370 2.601 1.00 36.26 O ATOM 0 H GLY A 75 -18.562 8.392 3.085 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.958 10.901 2.200 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.454 10.423 3.809 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.770 10.381 2.661 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.449 10.899 2.993 1.00 36.19 C ATOM 1226 C GLY A 76 -13.579 11.349 1.757 1.00 36.20 C ATOM 1227 O GLY A 76 -12.531 11.971 1.965 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.010 11.103 0.645 1.00 0.00 O ATOM 0 H GLY A 76 -15.766 9.376 2.486 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.567 11.750 3.664 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.903 10.133 3.543 1.00 36.19 H new TER 1232 GLY A 76