USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 55 THR OG1 : rot -59:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0789 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.43 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= -0.0391 K(o=-0.039,f=0.46) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.675) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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= 0.454 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.21 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -115:sc= 0.0215 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.42) USER MOD Single : A 41 GLN : amide:sc= 0.566 K(o=0.57,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.68 USER MOD Single : A 60 ASN : amide:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.07) USER MOD Single : A 65 SER OG : rot 91:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.060 -7.394 -4.821 1.00 9.67 N ATOM 2 CA MET A 1 11.254 -7.651 -3.411 1.00 10.38 C ATOM 3 C MET A 1 9.896 -7.877 -2.830 1.00 9.62 C ATOM 4 O MET A 1 8.917 -7.509 -3.475 1.00 9.62 O ATOM 5 CB MET A 1 12.015 -6.461 -2.732 1.00 13.77 C ATOM 6 CG MET A 1 11.163 -5.312 -2.219 1.00 16.29 C ATOM 7 SD MET A 1 12.144 -3.839 -1.747 1.00 17.17 S ATOM 8 CE MET A 1 10.830 -2.655 -1.545 1.00 16.11 C ATOM 0 H1 MET A 1 11.976 -7.179 -5.264 1.00 9.67 H new ATOM 0 H2 MET A 1 10.645 -8.234 -5.273 1.00 9.67 H new ATOM 0 H3 MET A 1 10.419 -6.584 -4.941 1.00 9.67 H new ATOM 0 HA MET A 1 11.877 -8.529 -3.240 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.591 -6.858 -1.896 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.730 -6.060 -3.450 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.444 -5.030 -2.988 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.590 -5.651 -1.356 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.250 -1.692 -1.255 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.290 -2.547 -2.485 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.145 -3.000 -0.771 1.00 16.11 H new ATOM 20 N GLN A 2 9.782 -8.462 -1.675 1.00 9.27 N ATOM 21 CA GLN A 2 8.475 -8.830 -1.127 1.00 9.07 C ATOM 22 C GLN A 2 8.121 -8.059 0.021 1.00 8.72 C ATOM 23 O GLN A 2 8.707 -8.088 1.086 1.00 8.22 O ATOM 24 CB GLN A 2 8.688 -10.322 -0.631 1.00 14.46 C ATOM 25 CG GLN A 2 7.400 -10.939 -0.144 1.00 17.01 C ATOM 26 CD GLN A 2 7.716 -12.415 -0.041 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.920 -12.942 1.028 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.666 -13.103 -1.175 1.00 19.49 N ATOM 0 H GLN A 2 10.573 -8.703 -1.078 1.00 9.27 H new ATOM 0 HA GLN A 2 7.694 -8.681 -1.872 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.093 -10.922 -1.446 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.425 -10.337 0.172 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.100 -10.527 0.819 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.581 -10.754 -0.839 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.491 -12.621 -2.057 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.802 -14.114 -1.165 1.00 19.49 H new ATOM 37 N ILE A 3 6.965 -7.386 -0.102 1.00 5.87 N ATOM 38 CA ILE A 3 6.360 -6.611 0.943 1.00 5.07 C ATOM 39 C ILE A 3 5.159 -7.369 1.476 1.00 4.01 C ATOM 40 O ILE A 3 4.695 -8.320 0.801 1.00 4.61 O ATOM 41 CB ILE A 3 6.070 -5.157 0.657 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.049 -4.933 -0.561 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.487 -4.510 0.465 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.712 -3.490 -0.794 1.00 10.83 C ATOM 0 H ILE A 3 6.425 -7.379 -0.967 1.00 5.87 H new ATOM 0 HA ILE A 3 7.124 -6.506 1.713 1.00 5.07 H new ATOM 0 HB ILE A 3 5.530 -4.673 1.471 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.482 -5.349 -1.470 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.131 -5.486 -0.363 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.376 -3.447 0.252 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.072 -4.638 1.376 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.999 -4.995 -0.366 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.018 -3.409 -1.631 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.250 -3.075 0.102 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.622 -2.936 -1.023 1.00 10.83 H new ATOM 56 N PHE A 4 4.710 -7.115 2.728 1.00 4.55 N ATOM 57 CA PHE A 4 3.529 -7.788 3.329 1.00 4.68 C ATOM 58 C PHE A 4 2.515 -6.664 3.641 1.00 5.30 C ATOM 59 O PHE A 4 2.840 -5.762 4.383 1.00 5.58 O ATOM 60 CB PHE A 4 3.871 -8.736 4.595 1.00 4.83 C ATOM 61 CG PHE A 4 4.955 -9.740 4.259 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.675 -10.805 3.446 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.210 -9.714 4.952 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.613 -11.840 3.265 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.133 -10.724 4.773 1.00 10.61 C ATOM 66 CZ PHE A 4 6.854 -11.794 3.923 1.00 8.90 C ATOM 0 H PHE A 4 5.154 -6.440 3.350 1.00 4.55 H new ATOM 0 HA PHE A 4 3.106 -8.507 2.627 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.191 -8.121 5.436 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.970 -9.263 4.910 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.724 -10.852 2.937 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.435 -8.896 5.620 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.378 -12.672 2.618 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.078 -10.686 5.295 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.582 -12.577 3.772 1.00 8.90 H new ATOM 76 N VAL A 5 1.282 -6.779 3.173 1.00 4.44 N ATOM 77 CA VAL A 5 0.199 -5.806 3.504 1.00 3.87 C ATOM 78 C VAL A 5 -0.898 -6.428 4.352 1.00 4.93 C ATOM 79 O VAL A 5 -1.482 -7.450 3.935 1.00 6.84 O ATOM 80 CB VAL A 5 -0.419 -5.124 2.321 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.418 -4.004 2.681 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.621 -4.522 1.404 1.00 9.13 C ATOM 0 H VAL A 5 0.984 -7.535 2.557 1.00 4.44 H new ATOM 0 HA VAL A 5 0.717 -5.038 4.078 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.962 -5.926 1.822 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.817 -3.565 1.767 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.235 -4.421 3.270 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.908 -3.234 3.261 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.127 -4.039 0.561 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.207 -3.785 1.953 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.280 -5.308 1.036 1.00 9.13 H new ATOM 92 N LYS A 6 -1.168 -5.932 5.515 1.00 6.04 N ATOM 93 CA LYS A 6 -2.256 -6.423 6.268 1.00 6.12 C ATOM 94 C LYS A 6 -3.563 -5.698 6.087 1.00 6.57 C ATOM 95 O LYS A 6 -3.565 -4.478 6.104 1.00 5.76 O ATOM 96 CB LYS A 6 -1.947 -6.332 7.761 1.00 7.45 C ATOM 97 CG LYS A 6 -0.874 -7.346 8.219 1.00 11.12 C ATOM 98 CD LYS A 6 -1.438 -8.762 8.191 1.00 14.54 C ATOM 99 CE LYS A 6 -2.593 -9.101 9.135 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.112 -9.007 10.548 1.00 20.55 N ATOM 0 H LYS A 6 -0.640 -5.181 5.960 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.376 -7.441 5.897 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.609 -5.323 7.995 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.863 -6.501 8.327 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.002 -7.282 7.568 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.539 -7.101 9.227 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.769 -8.968 7.173 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.620 -9.450 8.406 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.424 -8.415 8.974 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.964 -10.105 8.930 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.892 -9.236 11.196 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.331 -9.679 10.694 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.777 -8.041 10.737 1.00 20.55 H new ATOM 114 N THR A 7 -4.723 -6.404 5.925 1.00 7.41 N ATOM 115 CA THR A 7 -6.090 -5.846 5.734 1.00 7.48 C ATOM 116 C THR A 7 -6.884 -5.613 7.035 1.00 8.75 C ATOM 117 O THR A 7 -6.427 -6.034 8.109 1.00 8.58 O ATOM 118 CB THR A 7 -7.018 -6.582 4.765 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.468 -7.804 5.150 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.149 -6.842 3.525 1.00 9.17 C ATOM 0 H THR A 7 -4.725 -7.424 5.925 1.00 7.41 H new ATOM 0 HA THR A 7 -5.816 -4.895 5.277 1.00 7.48 H new ATOM 0 HB THR A 7 -7.906 -5.961 4.649 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.051 -8.172 4.453 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.736 -7.369 2.773 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.805 -5.892 3.116 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.288 -7.450 3.805 1.00 9.17 H new ATOM 128 N LEU A 8 -8.016 -4.955 6.955 1.00 9.84 N ATOM 129 CA LEU A 8 -8.808 -4.672 8.138 1.00 14.15 C ATOM 130 C LEU A 8 -9.421 -5.858 8.794 1.00 17.37 C ATOM 131 O LEU A 8 -9.681 -5.865 9.974 1.00 17.01 O ATOM 132 CB LEU A 8 -9.952 -3.738 7.743 1.00 16.63 C ATOM 133 CG LEU A 8 -9.515 -2.287 7.589 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.672 -1.435 7.071 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.095 -1.725 8.945 1.00 18.59 C ATOM 0 H LEU A 8 -8.413 -4.603 6.084 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.111 -4.239 8.855 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.386 -4.082 6.804 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.737 -3.796 8.497 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.683 -2.258 6.886 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.344 -0.401 6.966 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.996 -1.813 6.101 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.503 -1.483 7.775 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.784 -0.687 8.828 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.936 -1.776 9.636 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.265 -2.310 9.340 1.00 18.59 H new ATOM 147 N THR A 9 -9.597 -6.977 8.033 1.00 18.33 N ATOM 148 CA THR A 9 -10.062 -8.310 8.553 1.00 19.24 C ATOM 149 C THR A 9 -8.853 -9.195 8.738 1.00 19.48 C ATOM 150 O THR A 9 -8.972 -10.361 9.181 1.00 23.14 O ATOM 151 CB THR A 9 -11.139 -8.971 7.742 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.560 -9.414 6.519 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.291 -7.912 7.472 1.00 19.70 C ATOM 0 H THR A 9 -9.419 -6.985 7.029 1.00 18.33 H new ATOM 0 HA THR A 9 -10.554 -8.134 9.510 1.00 19.24 H new ATOM 0 HB THR A 9 -11.567 -9.825 8.267 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.245 -9.851 5.972 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.082 -8.377 6.883 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.700 -7.569 8.422 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.883 -7.062 6.925 1.00 19.70 H new ATOM 161 N GLY A 10 -7.625 -8.651 8.472 1.00 19.43 N ATOM 162 CA GLY A 10 -6.403 -9.415 8.858 1.00 18.74 C ATOM 163 C GLY A 10 -5.899 -10.385 7.880 1.00 17.62 C ATOM 164 O GLY A 10 -5.062 -11.189 8.301 1.00 19.74 O ATOM 0 H GLY A 10 -7.462 -7.750 8.023 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.608 -8.701 9.070 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.612 -9.945 9.787 1.00 18.74 H new ATOM 168 N LYS A 11 -6.224 -10.248 6.574 1.00 13.56 N ATOM 169 CA LYS A 11 -5.564 -10.953 5.499 1.00 11.91 C ATOM 170 C LYS A 11 -4.207 -10.325 5.259 1.00 10.18 C ATOM 171 O LYS A 11 -4.069 -9.114 5.298 1.00 9.10 O ATOM 172 CB LYS A 11 -6.456 -10.769 4.297 1.00 13.43 C ATOM 173 CG LYS A 11 -6.067 -11.672 3.110 1.00 16.69 C ATOM 174 CD LYS A 11 -7.071 -11.485 1.916 1.00 17.92 C ATOM 175 CE LYS A 11 -7.020 -12.583 0.859 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.074 -12.380 -0.102 1.00 21.93 N ATOM 0 H LYS A 11 -6.968 -9.629 6.253 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.407 -12.009 5.717 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.487 -10.978 4.582 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.418 -9.727 3.980 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.055 -11.433 2.782 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.061 -12.715 3.427 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.084 -11.432 2.316 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.868 -10.528 1.435 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.052 -12.575 0.359 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.127 -13.560 1.330 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.803 -12.808 -1.010 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.948 -12.825 0.243 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.233 -11.361 -0.233 1.00 21.93 H new ATOM 190 N THR A 12 -3.186 -11.155 5.001 1.00 9.63 N ATOM 191 CA THR A 12 -1.944 -10.715 4.571 1.00 9.85 C ATOM 192 C THR A 12 -1.790 -10.810 3.065 1.00 11.66 C ATOM 193 O THR A 12 -1.861 -11.919 2.481 1.00 12.33 O ATOM 194 CB THR A 12 -0.847 -11.566 5.181 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.950 -11.648 6.600 1.00 10.91 O ATOM 196 CG2 THR A 12 0.560 -11.081 4.758 1.00 9.63 C ATOM 0 H THR A 12 -3.250 -12.168 5.103 1.00 9.63 H new ATOM 0 HA THR A 12 -1.865 -9.673 4.881 1.00 9.85 H new ATOM 0 HB THR A 12 -0.987 -12.572 4.787 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.225 -12.207 6.949 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.317 -11.717 5.216 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.652 -11.132 3.673 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.704 -10.052 5.086 1.00 9.63 H new ATOM 204 N ILE A 13 -1.613 -9.698 2.357 1.00 10.42 N ATOM 205 CA ILE A 13 -1.380 -9.678 0.951 1.00 11.84 C ATOM 206 C ILE A 13 0.118 -9.586 0.753 1.00 10.55 C ATOM 207 O ILE A 13 0.744 -8.666 1.294 1.00 11.92 O ATOM 208 CB ILE A 13 -2.007 -8.393 0.289 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.551 -8.253 0.627 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.777 -8.391 -1.228 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.276 -6.918 0.359 1.00 16.46 C ATOM 0 H ILE A 13 -1.632 -8.768 2.776 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.822 -10.568 0.502 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.500 -7.527 0.713 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.078 -9.027 0.069 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.675 -8.483 1.685 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.219 -7.494 -1.662 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.707 -8.404 -1.434 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.242 -9.274 -1.668 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.323 -7.008 0.650 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.804 -6.125 0.939 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.214 -6.677 -0.702 1.00 16.46 H new ATOM 223 N THR A 14 0.710 -10.478 -0.099 1.00 9.39 N ATOM 224 CA THR A 14 2.139 -10.603 -0.231 1.00 9.63 C ATOM 225 C THR A 14 2.500 -10.189 -1.648 1.00 11.20 C ATOM 226 O THR A 14 1.855 -10.770 -2.602 1.00 11.63 O ATOM 227 CB THR A 14 2.672 -11.975 0.031 1.00 10.38 C ATOM 228 OG1 THR A 14 2.369 -12.441 1.288 1.00 16.30 O ATOM 229 CG2 THR A 14 4.221 -12.053 -0.188 1.00 11.66 C ATOM 0 H THR A 14 0.184 -11.114 -0.698 1.00 9.39 H new ATOM 0 HA THR A 14 2.593 -9.966 0.528 1.00 9.63 H new ATOM 0 HB THR A 14 2.173 -12.616 -0.696 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.741 -13.341 1.402 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.566 -13.067 0.013 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.457 -11.787 -1.218 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.720 -11.359 0.489 1.00 11.66 H new ATOM 237 N LEU A 15 3.383 -9.177 -1.832 1.00 8.29 N ATOM 238 CA LEU A 15 3.398 -8.391 -3.034 1.00 9.03 C ATOM 239 C LEU A 15 4.798 -8.285 -3.499 1.00 8.59 C ATOM 240 O LEU A 15 5.682 -7.862 -2.740 1.00 7.79 O ATOM 241 CB LEU A 15 2.822 -6.939 -2.745 1.00 11.08 C ATOM 242 CG LEU A 15 1.309 -6.820 -2.546 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.918 -5.397 -2.205 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.535 -7.305 -3.782 1.00 15.27 C ATOM 0 H LEU A 15 4.086 -8.906 -1.145 1.00 8.29 H new ATOM 0 HA LEU A 15 2.778 -8.865 -3.795 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.313 -6.551 -1.852 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.107 -6.290 -3.573 1.00 11.08 H new ATOM 0 HG LEU A 15 1.041 -7.465 -1.709 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.162 -5.339 -2.069 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.417 -5.093 -1.285 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.217 -4.733 -3.016 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.536 -7.205 -3.603 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.816 -6.703 -4.646 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.775 -8.351 -3.974 1.00 15.27 H new ATOM 256 N GLU A 16 4.985 -8.585 -4.746 1.00 11.04 N ATOM 257 CA GLU A 16 6.356 -8.552 -5.319 1.00 11.50 C ATOM 258 C GLU A 16 6.668 -7.228 -6.083 1.00 10.13 C ATOM 259 O GLU A 16 6.210 -7.007 -7.196 1.00 9.83 O ATOM 260 CB GLU A 16 6.507 -9.611 -6.421 1.00 17.22 C ATOM 261 CG GLU A 16 7.990 -9.788 -6.840 1.00 23.33 C ATOM 262 CD GLU A 16 8.841 -10.409 -5.730 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.446 -11.475 -5.146 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.911 -9.845 -5.462 1.00 28.90 O ATOM 0 H GLU A 16 4.248 -8.853 -5.398 1.00 11.04 H new ATOM 0 HA GLU A 16 7.010 -8.695 -4.459 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.111 -10.563 -6.068 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.915 -9.321 -7.289 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.041 -10.418 -7.728 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.406 -8.818 -7.113 1.00 23.33 H new ATOM 271 N VAL A 17 7.358 -6.275 -5.433 1.00 8.99 N ATOM 272 CA VAL A 17 7.424 -4.893 -5.865 1.00 8.85 C ATOM 273 C VAL A 17 8.812 -4.477 -5.910 1.00 8.04 C ATOM 274 O VAL A 17 9.748 -5.143 -5.468 1.00 8.99 O ATOM 275 CB VAL A 17 6.752 -3.889 -4.875 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.226 -4.158 -4.616 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.509 -3.967 -3.537 1.00 10.54 C ATOM 0 H VAL A 17 7.889 -6.459 -4.582 1.00 8.99 H new ATOM 0 HA VAL A 17 6.910 -4.868 -6.826 1.00 8.85 H new ATOM 0 HB VAL A 17 6.808 -2.901 -5.332 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.839 -3.416 -3.918 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.680 -4.091 -5.557 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.099 -5.155 -4.193 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.061 -3.275 -2.824 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.449 -4.982 -3.144 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.554 -3.700 -3.694 1.00 10.54 H new ATOM 287 N GLU A 18 9.138 -3.293 -6.470 1.00 7.29 N ATOM 288 CA GLU A 18 10.514 -2.811 -6.609 1.00 7.08 C ATOM 289 C GLU A 18 10.581 -1.528 -5.789 1.00 6.45 C ATOM 290 O GLU A 18 9.604 -0.852 -5.552 1.00 5.28 O ATOM 291 CB GLU A 18 10.874 -2.512 -8.098 1.00 10.28 C ATOM 292 CG GLU A 18 11.020 -3.671 -9.041 1.00 12.65 C ATOM 293 CD GLU A 18 12.202 -4.637 -8.707 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.138 -4.115 -8.055 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.228 -5.816 -9.171 1.00 14.33 O ATOM 0 H GLU A 18 8.442 -2.645 -6.839 1.00 7.29 H new ATOM 0 HA GLU A 18 11.224 -3.563 -6.266 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.106 -1.851 -8.500 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.811 -1.955 -8.108 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.091 -4.241 -9.041 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.158 -3.285 -10.051 1.00 12.65 H new ATOM 302 N PRO A 19 11.764 -1.079 -5.311 1.00 7.24 N ATOM 303 CA PRO A 19 11.970 0.210 -4.662 1.00 7.07 C ATOM 304 C PRO A 19 11.496 1.452 -5.483 1.00 6.65 C ATOM 305 O PRO A 19 11.209 2.488 -4.959 1.00 6.37 O ATOM 306 CB PRO A 19 13.445 0.304 -4.298 1.00 7.61 C ATOM 307 CG PRO A 19 13.891 -1.177 -4.249 1.00 8.16 C ATOM 308 CD PRO A 19 12.977 -1.841 -5.275 1.00 7.49 C ATOM 0 HA PRO A 19 11.335 0.243 -3.776 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.008 0.870 -5.040 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.592 0.801 -3.339 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.943 -1.291 -4.511 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.762 -1.605 -3.255 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.450 -1.860 -6.257 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.774 -2.876 -4.998 1.00 7.49 H new ATOM 316 N SER A 20 11.449 1.393 -6.754 1.00 6.80 N ATOM 317 CA SER A 20 11.124 2.537 -7.634 1.00 6.28 C ATOM 318 C SER A 20 9.709 2.605 -7.989 1.00 8.45 C ATOM 319 O SER A 20 9.260 3.484 -8.710 1.00 7.26 O ATOM 320 CB SER A 20 11.961 2.508 -8.919 1.00 8.57 C ATOM 321 OG SER A 20 11.753 1.242 -9.597 1.00 11.13 O ATOM 0 H SER A 20 11.636 0.533 -7.270 1.00 6.80 H new ATOM 0 HA SER A 20 11.367 3.427 -7.054 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.677 3.334 -9.571 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.017 2.638 -8.682 1.00 8.57 H new ATOM 0 HG SER A 20 12.285 1.220 -10.420 1.00 11.13 H new ATOM 327 N ASP A 21 8.814 1.622 -7.559 1.00 7.50 N ATOM 328 CA ASP A 21 7.375 1.624 -7.796 1.00 7.70 C ATOM 329 C ASP A 21 6.714 2.758 -7.111 1.00 7.08 C ATOM 330 O ASP A 21 7.040 3.096 -5.978 1.00 8.11 O ATOM 331 CB ASP A 21 6.763 0.327 -7.303 1.00 11.00 C ATOM 332 CG ASP A 21 7.113 -0.922 -8.154 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.458 -0.811 -9.367 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.856 -2.071 -7.688 1.00 18.03 O ATOM 0 H ASP A 21 9.122 0.806 -7.030 1.00 7.50 H new ATOM 0 HA ASP A 21 7.220 1.727 -8.870 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.090 0.154 -6.278 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.679 0.440 -7.277 1.00 11.00 H new ATOM 339 N THR A 22 5.611 3.387 -7.674 1.00 5.37 N ATOM 340 CA THR A 22 4.893 4.307 -6.880 1.00 6.01 C ATOM 341 C THR A 22 3.907 3.728 -5.864 1.00 8.01 C ATOM 342 O THR A 22 3.487 2.585 -5.926 1.00 8.11 O ATOM 343 CB THR A 22 4.098 5.272 -7.756 1.00 8.92 C ATOM 344 OG1 THR A 22 3.136 4.623 -8.601 1.00 10.22 O ATOM 345 CG2 THR A 22 5.077 6.104 -8.619 1.00 9.65 C ATOM 0 H THR A 22 5.264 3.246 -8.623 1.00 5.37 H new ATOM 0 HA THR A 22 5.687 4.788 -6.309 1.00 6.01 H new ATOM 0 HB THR A 22 3.530 5.915 -7.083 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.661 5.295 -9.133 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.513 6.794 -9.246 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.746 6.668 -7.969 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.663 5.436 -9.251 1.00 9.65 H new ATOM 353 N ILE A 23 3.403 4.546 -4.928 1.00 8.32 N ATOM 354 CA ILE A 23 2.336 4.164 -3.934 1.00 9.92 C ATOM 355 C ILE A 23 1.047 3.846 -4.682 1.00 10.01 C ATOM 356 O ILE A 23 0.339 2.861 -4.423 1.00 8.71 O ATOM 357 CB ILE A 23 2.123 5.273 -2.946 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.420 5.675 -2.249 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.060 5.015 -1.929 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.326 4.547 -1.774 1.00 12.30 C ATOM 0 H ILE A 23 3.717 5.511 -4.822 1.00 8.32 H new ATOM 0 HA ILE A 23 2.652 3.280 -3.380 1.00 9.92 H new ATOM 0 HB ILE A 23 1.765 6.101 -3.558 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.991 6.304 -2.932 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.165 6.291 -1.387 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.980 5.872 -1.260 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.106 4.857 -2.432 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.317 4.127 -1.351 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.211 4.968 -1.297 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.788 3.926 -1.058 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.628 3.939 -2.627 1.00 12.30 H new ATOM 372 N GLU A 24 0.698 4.704 -5.692 1.00 9.54 N ATOM 373 CA GLU A 24 -0.442 4.408 -6.556 1.00 11.81 C ATOM 374 C GLU A 24 -0.253 3.087 -7.377 1.00 11.14 C ATOM 375 O GLU A 24 -1.206 2.370 -7.590 1.00 10.62 O ATOM 376 CB GLU A 24 -0.810 5.629 -7.503 1.00 19.24 C ATOM 377 CG GLU A 24 -2.253 5.478 -8.111 1.00 27.76 C ATOM 378 CD GLU A 24 -2.937 6.603 -8.832 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.244 7.650 -8.168 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.035 6.575 -10.085 1.00 34.80 O ATOM 0 H GLU A 24 1.186 5.574 -5.906 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.288 4.246 -5.888 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.748 6.559 -6.938 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.080 5.697 -8.310 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.215 4.638 -8.805 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.910 5.185 -7.292 1.00 27.76 H new ATOM 387 N ASN A 25 0.950 2.720 -7.869 1.00 9.43 N ATOM 388 CA ASN A 25 1.179 1.364 -8.415 1.00 10.96 C ATOM 389 C ASN A 25 0.887 0.252 -7.466 1.00 9.68 C ATOM 390 O ASN A 25 0.277 -0.740 -7.920 1.00 9.33 O ATOM 391 CB ASN A 25 2.640 1.293 -8.927 1.00 16.78 C ATOM 392 CG ASN A 25 2.952 0.130 -9.882 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.621 -0.882 -9.616 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.312 0.258 -11.078 1.00 24.70 N ATOM 0 H ASN A 25 1.765 3.332 -7.900 1.00 9.43 H new ATOM 0 HA ASN A 25 0.467 1.214 -9.227 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.875 2.229 -9.434 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.305 1.221 -8.066 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.378 -0.485 -11.774 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.767 1.097 -11.278 1.00 24.70 H new ATOM 401 N VAL A 26 1.258 0.369 -6.158 1.00 6.52 N ATOM 402 CA VAL A 26 0.981 -0.664 -5.175 1.00 5.53 C ATOM 403 C VAL A 26 -0.501 -0.773 -4.916 1.00 4.42 C ATOM 404 O VAL A 26 -1.039 -1.859 -4.784 1.00 3.40 O ATOM 405 CB VAL A 26 1.798 -0.558 -3.863 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.608 -1.818 -2.984 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.309 -0.360 -4.307 1.00 8.12 C ATOM 0 H VAL A 26 1.750 1.180 -5.782 1.00 6.52 H new ATOM 0 HA VAL A 26 1.329 -1.594 -5.625 1.00 5.53 H new ATOM 0 HB VAL A 26 1.465 0.277 -3.247 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.193 -1.716 -2.070 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.554 -1.929 -2.730 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.943 -2.698 -3.533 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.940 -0.278 -3.422 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.628 -1.215 -4.903 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.397 0.549 -4.901 1.00 8.12 H new ATOM 417 N LYS A 27 -1.204 0.405 -5.065 1.00 2.64 N ATOM 418 CA LYS A 27 -2.673 0.440 -5.126 1.00 4.14 C ATOM 419 C LYS A 27 -3.284 -0.288 -6.359 1.00 5.58 C ATOM 420 O LYS A 27 -4.294 -0.970 -6.261 1.00 4.11 O ATOM 421 CB LYS A 27 -3.277 1.782 -4.951 1.00 3.97 C ATOM 422 CG LYS A 27 -2.876 2.449 -3.628 1.00 7.45 C ATOM 423 CD LYS A 27 -3.506 3.878 -3.512 1.00 9.02 C ATOM 424 CE LYS A 27 -3.310 4.418 -2.076 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.902 5.761 -2.035 1.00 15.47 N ATOM 0 H LYS A 27 -0.762 1.321 -5.142 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.950 -0.137 -4.244 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.976 2.422 -5.781 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.363 1.695 -4.994 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.204 1.833 -2.791 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.790 2.519 -3.565 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.039 4.551 -4.231 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.568 3.839 -3.755 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.791 3.763 -1.349 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.251 4.456 -1.820 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.438 6.322 -1.292 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.769 6.227 -2.955 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.919 5.686 -1.828 1.00 15.47 H new ATOM 439 N ALA A 28 -2.596 -0.273 -7.509 1.00 6.61 N ATOM 440 CA ALA A 28 -3.068 -1.012 -8.631 1.00 7.74 C ATOM 441 C ALA A 28 -2.794 -2.493 -8.421 1.00 9.17 C ATOM 442 O ALA A 28 -3.495 -3.322 -8.936 1.00 11.45 O ATOM 443 CB ALA A 28 -2.595 -0.448 -9.965 1.00 7.68 C ATOM 0 H ALA A 28 -1.728 0.241 -7.661 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.150 -0.900 -8.697 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.990 -1.057 -10.778 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.951 0.577 -10.073 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.506 -0.459 -9.999 1.00 7.68 H new ATOM 449 N LYS A 29 -1.773 -2.898 -7.599 1.00 8.96 N ATOM 450 CA LYS A 29 -1.353 -4.286 -7.388 1.00 7.90 C ATOM 451 C LYS A 29 -2.241 -5.000 -6.371 1.00 6.92 C ATOM 452 O LYS A 29 -2.454 -6.193 -6.538 1.00 6.87 O ATOM 453 CB LYS A 29 0.086 -4.198 -6.935 1.00 10.28 C ATOM 454 CG LYS A 29 0.822 -5.486 -7.301 1.00 14.94 C ATOM 455 CD LYS A 29 2.251 -5.451 -6.892 1.00 19.69 C ATOM 456 CE LYS A 29 3.075 -6.673 -7.208 1.00 22.63 C ATOM 457 NZ LYS A 29 3.425 -6.727 -8.608 1.00 24.98 N ATOM 0 H LYS A 29 -1.218 -2.234 -7.060 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.446 -4.881 -8.297 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.573 -3.344 -7.405 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.129 -4.037 -5.858 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.329 -6.333 -6.823 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.758 -5.646 -8.377 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.721 -4.591 -7.369 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.293 -5.281 -5.816 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.983 -6.667 -6.605 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.518 -7.569 -6.936 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.970 -7.552 -9.048 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.100 -5.860 -9.081 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.457 -6.808 -8.705 1.00 24.98 H new ATOM 471 N ILE A 30 -2.694 -4.254 -5.314 1.00 4.57 N ATOM 472 CA ILE A 30 -3.791 -4.649 -4.492 1.00 5.58 C ATOM 473 C ILE A 30 -5.167 -4.587 -5.195 1.00 7.26 C ATOM 474 O ILE A 30 -6.030 -5.427 -4.931 1.00 9.46 O ATOM 475 CB ILE A 30 -3.796 -3.764 -3.265 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.443 -3.945 -2.513 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.069 -4.018 -2.415 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.311 -3.207 -1.204 1.00 2.00 C ATOM 0 H ILE A 30 -2.278 -3.364 -5.041 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.647 -5.699 -4.236 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.858 -2.709 -3.532 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.294 -5.008 -2.325 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.637 -3.622 -3.172 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.055 -3.373 -1.537 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.955 -3.799 -3.012 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.093 -5.061 -2.098 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.331 -3.407 -0.771 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.420 -2.136 -1.377 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.087 -3.544 -0.516 1.00 2.00 H new ATOM 490 N GLN A 31 -5.463 -3.642 -6.183 1.00 7.06 N ATOM 491 CA GLN A 31 -6.557 -3.857 -7.117 1.00 8.67 C ATOM 492 C GLN A 31 -6.498 -5.162 -7.941 1.00 10.90 C ATOM 493 O GLN A 31 -7.438 -5.998 -8.115 1.00 9.63 O ATOM 494 CB GLN A 31 -6.722 -2.614 -7.960 1.00 9.12 C ATOM 495 CG GLN A 31 -8.103 -2.722 -8.688 1.00 10.76 C ATOM 496 CD GLN A 31 -8.409 -1.419 -9.504 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.384 -0.819 -9.888 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.667 -1.046 -9.671 1.00 14.76 N ATOM 0 H GLN A 31 -4.953 -2.768 -6.315 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.456 -4.023 -6.524 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.685 -1.720 -7.337 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.912 -2.531 -8.684 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.099 -3.582 -9.357 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.892 -2.891 -7.956 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.423 -1.626 -9.308 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.881 -0.178 -10.162 1.00 14.76 H new ATOM 507 N ASP A 32 -5.325 -5.458 -8.525 1.00 10.93 N ATOM 508 CA ASP A 32 -5.082 -6.727 -9.273 1.00 14.01 C ATOM 509 C ASP A 32 -5.289 -7.960 -8.417 1.00 14.04 C ATOM 510 O ASP A 32 -5.896 -8.953 -8.806 1.00 13.39 O ATOM 511 CB ASP A 32 -3.776 -6.578 -9.998 1.00 18.01 C ATOM 512 CG ASP A 32 -3.613 -7.450 -11.236 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.143 -8.584 -11.294 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.834 -7.091 -12.121 1.00 26.29 O ATOM 0 H ASP A 32 -4.516 -4.837 -8.499 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.834 -6.906 -10.041 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.660 -5.535 -10.291 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.967 -6.806 -9.304 1.00 18.01 H new ATOM 519 N LYS A 33 -4.741 -7.960 -7.133 1.00 14.22 N ATOM 520 CA LYS A 33 -4.909 -9.022 -6.120 1.00 14.00 C ATOM 521 C LYS A 33 -6.381 -9.097 -5.660 1.00 12.37 C ATOM 522 O LYS A 33 -6.975 -10.162 -5.704 1.00 12.17 O ATOM 523 CB LYS A 33 -4.009 -8.987 -4.884 1.00 18.62 C ATOM 524 CG LYS A 33 -2.527 -9.442 -5.156 1.00 24.00 C ATOM 525 CD LYS A 33 -2.396 -10.967 -5.222 1.00 27.61 C ATOM 526 CE LYS A 33 -0.943 -11.412 -5.135 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.874 -12.890 -5.277 1.00 30.06 N ATOM 0 H LYS A 33 -4.162 -7.190 -6.796 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.586 -9.912 -6.660 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.999 -7.973 -4.484 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.440 -9.629 -4.116 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.181 -9.008 -6.094 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.879 -9.057 -4.368 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.964 -11.417 -4.407 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.833 -11.330 -6.153 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.356 -10.932 -5.918 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.513 -11.106 -4.181 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.117 -13.198 -5.218 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.422 -13.338 -4.515 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.269 -13.169 -6.198 1.00 30.06 H new ATOM 541 N GLU A 34 -7.005 -8.028 -5.053 1.00 10.11 N ATOM 542 CA GLU A 34 -8.127 -8.211 -4.219 1.00 10.07 C ATOM 543 C GLU A 34 -9.312 -7.518 -4.813 1.00 9.32 C ATOM 544 O GLU A 34 -10.386 -7.541 -4.235 1.00 11.61 O ATOM 545 CB GLU A 34 -7.811 -7.543 -2.869 1.00 14.77 C ATOM 546 CG GLU A 34 -6.622 -8.216 -2.137 1.00 18.75 C ATOM 547 CD GLU A 34 -7.047 -9.582 -1.675 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.055 -9.759 -0.930 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.269 -10.532 -1.993 1.00 25.19 O ATOM 0 H GLU A 34 -6.710 -7.057 -5.160 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.343 -9.273 -4.104 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.583 -6.490 -3.033 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.695 -7.582 -2.232 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.763 -8.294 -2.804 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.311 -7.610 -1.286 1.00 18.75 H new ATOM 556 N GLY A 35 -9.182 -6.774 -5.943 1.00 7.22 N ATOM 557 CA GLY A 35 -10.272 -6.065 -6.614 1.00 6.29 C ATOM 558 C GLY A 35 -10.579 -4.712 -6.053 1.00 6.93 C ATOM 559 O GLY A 35 -11.578 -4.164 -6.483 1.00 7.41 O ATOM 0 H GLY A 35 -8.285 -6.656 -6.415 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.021 -5.957 -7.669 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.172 -6.678 -6.561 1.00 6.29 H new ATOM 563 N ILE A 36 -9.712 -4.109 -5.155 1.00 5.86 N ATOM 564 CA ILE A 36 -10.058 -2.872 -4.400 1.00 6.07 C ATOM 565 C ILE A 36 -9.691 -1.625 -5.163 1.00 6.36 C ATOM 566 O ILE A 36 -8.510 -1.472 -5.499 1.00 6.18 O ATOM 567 CB ILE A 36 -9.321 -2.783 -3.063 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.584 -4.059 -2.258 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.701 -1.549 -2.230 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.802 -4.123 -0.973 1.00 9.49 C ATOM 0 H ILE A 36 -8.780 -4.469 -4.949 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.135 -2.934 -4.244 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.260 -2.679 -3.291 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.648 -4.125 -2.031 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.334 -4.925 -2.871 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.139 -1.553 -1.296 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.466 -0.645 -2.791 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.769 -1.572 -2.011 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.034 -5.051 -0.451 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.735 -4.088 -1.194 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.069 -3.276 -0.342 1.00 9.49 H new ATOM 582 N PRO A 37 -10.520 -0.578 -5.331 1.00 8.65 N ATOM 583 CA PRO A 37 -10.154 0.506 -6.221 1.00 9.18 C ATOM 584 C PRO A 37 -9.192 1.552 -5.650 1.00 9.85 C ATOM 585 O PRO A 37 -9.473 1.924 -4.502 1.00 8.51 O ATOM 586 CB PRO A 37 -11.475 1.185 -6.608 1.00 11.42 C ATOM 587 CG PRO A 37 -12.362 0.879 -5.389 1.00 9.27 C ATOM 588 CD PRO A 37 -11.872 -0.473 -4.879 1.00 8.33 C ATOM 0 HA PRO A 37 -9.602 0.076 -7.057 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.352 2.257 -6.764 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.890 0.774 -7.528 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.263 1.650 -4.624 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.415 0.839 -5.666 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.929 -0.528 -3.792 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.482 -1.286 -5.271 1.00 8.33 H new ATOM 596 N PRO A 38 -8.085 2.046 -6.303 1.00 8.71 N ATOM 597 CA PRO A 38 -7.017 2.898 -5.700 1.00 9.08 C ATOM 598 C PRO A 38 -7.431 4.051 -4.836 1.00 9.28 C ATOM 599 O PRO A 38 -6.767 4.173 -3.806 1.00 6.50 O ATOM 600 CB PRO A 38 -6.257 3.265 -6.924 1.00 10.31 C ATOM 601 CG PRO A 38 -6.087 1.940 -7.652 1.00 10.81 C ATOM 602 CD PRO A 38 -7.510 1.382 -7.509 1.00 12.00 C ATOM 0 HA PRO A 38 -6.450 2.372 -4.932 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.801 3.989 -7.531 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.294 3.714 -6.679 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.792 2.070 -8.693 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.338 1.300 -7.186 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.106 1.597 -8.396 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.496 0.299 -7.390 1.00 12.00 H new ATOM 610 N ASP A 39 -8.480 4.850 -5.164 1.00 11.20 N ATOM 611 CA ASP A 39 -8.928 6.025 -4.377 1.00 14.96 C ATOM 612 C ASP A 39 -9.592 5.628 -3.035 1.00 13.99 C ATOM 613 O ASP A 39 -9.563 6.422 -2.086 1.00 13.75 O ATOM 614 CB ASP A 39 -9.960 6.881 -5.200 1.00 24.16 C ATOM 615 CG ASP A 39 -9.285 7.516 -6.339 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.599 8.547 -6.187 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.445 6.991 -7.492 1.00 34.22 O ATOM 0 H ASP A 39 -9.046 4.691 -5.997 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.030 6.604 -4.162 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.772 6.246 -5.555 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.407 7.642 -4.560 1.00 24.16 H new ATOM 622 N GLN A 40 -10.084 4.319 -2.918 1.00 11.60 N ATOM 623 CA GLN A 40 -10.630 3.869 -1.652 1.00 10.76 C ATOM 624 C GLN A 40 -9.562 3.346 -0.737 1.00 8.01 C ATOM 625 O GLN A 40 -9.778 3.118 0.464 1.00 8.96 O ATOM 626 CB GLN A 40 -11.713 2.878 -1.842 1.00 11.14 C ATOM 627 CG GLN A 40 -12.974 3.521 -2.310 1.00 14.85 C ATOM 628 CD GLN A 40 -14.147 2.589 -1.977 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.361 1.493 -2.565 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.984 3.015 -0.965 1.00 18.16 N ATOM 0 H GLN A 40 -10.094 3.628 -3.669 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.070 4.742 -1.169 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.397 2.128 -2.567 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.897 2.356 -0.903 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.109 4.488 -1.825 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.930 3.706 -3.383 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.805 3.902 -0.494 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.782 2.443 -0.688 1.00 18.16 H new ATOM 639 N GLN A 41 -8.344 3.080 -1.243 1.00 6.52 N ATOM 640 CA GLN A 41 -7.309 2.507 -0.459 1.00 3.87 C ATOM 641 C GLN A 41 -6.540 3.540 0.317 1.00 4.79 C ATOM 642 O GLN A 41 -6.216 4.595 -0.210 1.00 6.34 O ATOM 643 CB GLN A 41 -6.348 1.777 -1.396 1.00 4.20 C ATOM 644 CG GLN A 41 -6.914 0.530 -2.189 1.00 3.20 C ATOM 645 CD GLN A 41 -5.848 -0.392 -2.748 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.737 -0.693 -2.199 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.146 -0.842 -3.968 1.00 7.13 N ATOM 0 H GLN A 41 -8.080 3.267 -2.210 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.765 1.827 0.261 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.974 2.497 -2.123 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.493 1.443 -0.809 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.562 -0.043 -1.526 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.535 0.888 -3.010 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.037 -0.596 -4.399 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.483 -1.432 -4.470 1.00 7.13 H new ATOM 656 N ARG A 42 -6.227 3.228 1.593 1.00 5.73 N ATOM 657 CA ARG A 42 -5.237 3.994 2.370 1.00 6.97 C ATOM 658 C ARG A 42 -4.110 3.169 2.773 1.00 7.15 C ATOM 659 O ARG A 42 -4.258 2.192 3.480 1.00 7.33 O ATOM 660 CB ARG A 42 -5.892 4.786 3.561 1.00 13.23 C ATOM 661 CG ARG A 42 -6.543 6.143 3.166 1.00 21.27 C ATOM 662 CD ARG A 42 -7.273 6.725 4.389 1.00 26.14 C ATOM 663 NE ARG A 42 -7.395 8.217 4.264 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.101 9.024 5.062 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.726 8.683 6.201 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.126 10.303 4.708 1.00 36.39 N ATOM 0 H ARG A 42 -6.647 2.451 2.104 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.828 4.757 1.708 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.652 4.156 4.023 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.130 4.972 4.317 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.780 6.839 2.817 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.243 5.999 2.343 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.264 6.279 4.476 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.729 6.473 5.299 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.890 8.657 3.495 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.688 7.720 6.535 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.239 9.387 6.732 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.626 10.611 3.874 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.645 10.978 5.270 1.00 36.39 H new ATOM 680 N LEU A 43 -2.814 3.528 2.536 1.00 4.65 N ATOM 681 CA LEU A 43 -1.756 2.606 2.877 1.00 3.51 C ATOM 682 C LEU A 43 -0.871 3.241 3.984 1.00 5.56 C ATOM 683 O LEU A 43 -0.259 4.291 3.786 1.00 4.19 O ATOM 684 CB LEU A 43 -0.902 2.248 1.597 1.00 3.74 C ATOM 685 CG LEU A 43 -1.655 1.376 0.601 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.680 0.947 -0.476 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.182 0.086 1.267 1.00 6.41 C ATOM 0 H LEU A 43 -2.513 4.413 2.128 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.184 1.677 3.254 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.594 3.170 1.104 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.007 1.733 1.907 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.494 1.950 0.207 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.195 0.320 -1.204 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.279 1.829 -0.976 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.136 0.383 -0.024 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.714 -0.513 0.529 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.344 -0.487 1.664 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.860 0.347 2.080 1.00 6.41 H new ATOM 699 N ILE A 44 -0.811 2.576 5.126 1.00 4.58 N ATOM 700 CA ILE A 44 -0.006 2.948 6.293 1.00 5.55 C ATOM 701 C ILE A 44 1.343 2.195 6.338 1.00 5.46 C ATOM 702 O ILE A 44 1.425 1.016 6.059 1.00 6.04 O ATOM 703 CB ILE A 44 -0.769 2.575 7.566 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.028 3.410 7.736 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.041 2.641 8.929 1.00 7.39 C ATOM 706 CD1 ILE A 44 -1.782 4.888 7.951 1.00 13.90 C ATOM 0 H ILE A 44 -1.345 1.721 5.278 1.00 4.58 H new ATOM 0 HA ILE A 44 0.184 4.019 6.223 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.997 1.524 7.391 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.653 3.284 6.852 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.593 3.022 8.584 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.611 2.354 9.754 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.889 1.957 8.882 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.403 3.657 9.089 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -2.736 5.403 8.062 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.186 5.030 8.852 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.247 5.296 7.094 1.00 13.90 H new ATOM 718 N PHE A 45 2.445 2.908 6.721 1.00 6.75 N ATOM 719 CA PHE A 45 3.731 2.336 6.996 1.00 4.70 C ATOM 720 C PHE A 45 4.395 3.126 8.139 1.00 6.34 C ATOM 721 O PHE A 45 4.366 4.364 8.110 1.00 5.45 O ATOM 722 CB PHE A 45 4.624 2.272 5.710 1.00 5.51 C ATOM 723 CG PHE A 45 6.100 1.929 6.045 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.450 0.616 6.413 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.104 2.826 5.833 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.754 0.294 6.699 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.493 2.497 6.044 1.00 6.64 C ATOM 728 CZ PHE A 45 8.823 1.202 6.437 1.00 6.84 C ATOM 0 H PHE A 45 2.426 3.921 6.840 1.00 6.75 H new ATOM 0 HA PHE A 45 3.607 1.302 7.317 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.223 1.523 5.027 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.583 3.230 5.192 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.686 -0.145 6.471 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.851 3.820 5.495 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.976 -0.670 7.133 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.262 3.241 5.900 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.853 0.896 6.540 1.00 6.84 H new ATOM 738 N ALA A 46 4.964 2.451 9.167 1.00 6.53 N ATOM 739 CA ALA A 46 5.476 3.048 10.406 1.00 7.15 C ATOM 740 C ALA A 46 4.569 4.130 11.053 1.00 9.00 C ATOM 741 O ALA A 46 5.016 5.073 11.686 1.00 11.15 O ATOM 742 CB ALA A 46 6.887 3.591 10.236 1.00 8.99 C ATOM 0 H ALA A 46 5.079 1.438 9.147 1.00 6.53 H new ATOM 0 HA ALA A 46 5.483 2.211 11.104 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.226 4.024 11.177 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.556 2.781 9.947 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.891 4.358 9.462 1.00 8.99 H new ATOM 748 N GLY A 47 3.238 3.911 10.962 1.00 9.35 N ATOM 749 CA GLY A 47 2.168 4.691 11.586 1.00 11.68 C ATOM 750 C GLY A 47 1.746 5.832 10.667 1.00 11.14 C ATOM 751 O GLY A 47 0.772 6.516 10.953 1.00 13.93 O ATOM 0 H GLY A 47 2.869 3.134 10.414 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.313 4.048 11.796 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.508 5.090 12.541 1.00 11.68 H new ATOM 755 N LYS A 48 2.382 5.999 9.498 1.00 10.47 N ATOM 756 CA LYS A 48 2.265 7.185 8.705 1.00 8.82 C ATOM 757 C LYS A 48 1.803 6.798 7.260 1.00 7.68 C ATOM 758 O LYS A 48 2.270 5.873 6.635 1.00 6.47 O ATOM 759 CB LYS A 48 3.662 7.825 8.580 1.00 9.74 C ATOM 760 CG LYS A 48 4.054 8.857 9.637 1.00 14.14 C ATOM 761 CD LYS A 48 5.553 9.101 9.710 1.00 16.32 C ATOM 762 CE LYS A 48 6.457 8.022 10.381 1.00 20.04 C ATOM 763 NZ LYS A 48 7.907 8.365 10.344 1.00 23.92 N ATOM 0 H LYS A 48 2.995 5.293 9.090 1.00 10.47 H new ATOM 0 HA LYS A 48 1.551 7.866 9.169 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.403 7.026 8.597 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.729 8.301 7.602 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.549 9.799 9.421 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.699 8.522 10.612 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.914 9.247 8.692 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.709 10.040 10.242 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.147 7.892 11.418 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.303 7.066 9.880 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.454 7.610 10.805 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.216 8.462 9.356 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.064 9.262 10.846 1.00 23.92 H new ATOM 777 N GLN A 49 0.777 7.519 6.777 1.00 8.89 N ATOM 778 CA GLN A 49 0.065 7.244 5.546 1.00 7.18 C ATOM 779 C GLN A 49 0.722 7.723 4.253 1.00 8.23 C ATOM 780 O GLN A 49 1.045 8.893 4.011 1.00 9.70 O ATOM 781 CB GLN A 49 -1.298 7.952 5.687 1.00 11.67 C ATOM 782 CG GLN A 49 -2.355 7.302 4.735 1.00 15.82 C ATOM 783 CD GLN A 49 -3.677 7.977 4.953 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.446 7.663 5.839 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.010 8.972 4.097 1.00 20.67 N ATOM 0 H GLN A 49 0.417 8.340 7.264 1.00 8.89 H new ATOM 0 HA GLN A 49 0.022 6.160 5.439 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.642 7.888 6.719 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.190 9.011 5.451 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.043 7.408 3.696 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.438 6.234 4.936 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.368 9.239 3.351 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.903 9.454 4.198 1.00 20.67 H new ATOM 794 N LEU A 50 0.936 6.798 3.312 1.00 6.51 N ATOM 795 CA LEU A 50 1.627 6.899 2.039 1.00 7.41 C ATOM 796 C LEU A 50 0.935 7.783 1.028 1.00 8.27 C ATOM 797 O LEU A 50 -0.219 7.563 0.734 1.00 8.34 O ATOM 798 CB LEU A 50 1.995 5.528 1.476 1.00 7.13 C ATOM 799 CG LEU A 50 2.925 4.561 2.274 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.859 3.128 1.643 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.409 4.999 2.241 1.00 9.11 C ATOM 0 H LEU A 50 0.583 5.851 3.449 1.00 6.51 H new ATOM 0 HA LEU A 50 2.562 7.415 2.256 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.062 4.996 1.292 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.463 5.695 0.506 1.00 7.13 H new ATOM 0 HG LEU A 50 2.571 4.574 3.305 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.509 2.454 2.201 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.834 2.760 1.683 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.188 3.172 0.605 1.00 8.14 H new ATOM 0 HD21 LEU A 50 5.010 4.291 2.812 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.759 5.023 1.209 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.505 5.992 2.679 1.00 9.11 H new ATOM 813 N GLU A 51 1.655 8.776 0.464 1.00 9.43 N ATOM 814 CA GLU A 51 1.081 9.593 -0.583 1.00 11.90 C ATOM 815 C GLU A 51 1.406 9.018 -1.973 1.00 11.49 C ATOM 816 O GLU A 51 2.513 8.615 -2.262 1.00 9.88 O ATOM 817 CB GLU A 51 1.512 11.040 -0.350 1.00 16.56 C ATOM 818 CG GLU A 51 0.918 11.568 0.974 1.00 26.06 C ATOM 819 CD GLU A 51 1.158 13.109 1.143 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.627 13.933 0.403 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.916 13.509 2.070 1.00 33.44 O ATOM 0 H GLU A 51 2.613 9.015 0.721 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.008 9.582 -0.550 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.600 11.102 -0.319 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.180 11.664 -1.180 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.152 11.361 1.001 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.367 11.036 1.812 1.00 26.06 H new ATOM 828 N ASP A 52 0.367 9.080 -2.832 1.00 12.71 N ATOM 829 CA ASP A 52 0.160 8.474 -4.140 1.00 16.56 C ATOM 830 C ASP A 52 1.297 8.633 -5.152 1.00 15.83 C ATOM 831 O ASP A 52 1.712 7.572 -5.559 1.00 17.21 O ATOM 832 CB ASP A 52 -1.199 8.800 -4.737 1.00 21.05 C ATOM 833 CG ASP A 52 -2.320 8.171 -3.910 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.523 6.935 -4.009 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.906 8.836 -3.023 1.00 28.37 O ATOM 0 H ASP A 52 -0.450 9.635 -2.577 1.00 12.71 H new ATOM 0 HA ASP A 52 0.173 7.408 -3.914 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.334 9.881 -4.778 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.248 8.434 -5.762 1.00 21.05 H new ATOM 840 N GLY A 53 1.799 9.862 -5.510 1.00 15.00 N ATOM 841 CA GLY A 53 2.800 10.075 -6.544 1.00 11.77 C ATOM 842 C GLY A 53 4.214 9.766 -6.122 1.00 11.10 C ATOM 843 O GLY A 53 5.049 9.833 -7.019 1.00 11.25 O ATOM 0 H GLY A 53 1.496 10.728 -5.064 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.549 9.458 -7.407 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.751 11.114 -6.870 1.00 11.77 H new ATOM 847 N ARG A 54 4.519 9.472 -4.835 1.00 8.53 N ATOM 848 CA ARG A 54 5.799 9.160 -4.345 1.00 9.05 C ATOM 849 C ARG A 54 6.087 7.677 -4.477 1.00 8.96 C ATOM 850 O ARG A 54 5.342 6.865 -4.953 1.00 11.60 O ATOM 851 CB ARG A 54 6.045 9.604 -2.900 1.00 7.97 C ATOM 852 CG ARG A 54 5.530 11.061 -2.616 1.00 9.62 C ATOM 853 CD ARG A 54 6.077 11.659 -1.361 1.00 12.20 C ATOM 854 NE ARG A 54 5.355 12.946 -1.330 1.00 18.23 N ATOM 855 CZ ARG A 54 4.967 13.609 -0.225 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.590 13.436 0.966 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.962 14.456 -0.383 1.00 23.38 N ATOM 0 H ARG A 54 3.808 9.457 -4.104 1.00 8.53 H new ATOM 0 HA ARG A 54 6.486 9.732 -4.968 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.549 8.909 -2.222 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.112 9.552 -2.685 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.795 11.701 -3.458 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.442 11.047 -2.557 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.866 11.046 -0.485 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.158 11.793 -1.404 1.00 12.20 H new ATOM 0 HE ARG A 54 5.129 13.372 -2.229 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.375 12.789 1.042 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.274 13.952 1.787 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.533 14.573 -1.301 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.617 14.992 0.413 1.00 23.38 H new ATOM 871 N THR A 55 7.274 7.259 -4.119 1.00 9.05 N ATOM 872 CA THR A 55 7.804 5.928 -4.321 1.00 9.03 C ATOM 873 C THR A 55 8.295 5.320 -3.046 1.00 8.15 C ATOM 874 O THR A 55 8.457 6.009 -2.049 1.00 5.91 O ATOM 875 CB THR A 55 9.044 5.870 -5.330 1.00 11.15 C ATOM 876 OG1 THR A 55 10.197 6.647 -4.970 1.00 11.95 O ATOM 877 CG2 THR A 55 8.685 6.392 -6.757 1.00 11.71 C ATOM 0 H THR A 55 7.939 7.874 -3.650 1.00 9.05 H new ATOM 0 HA THR A 55 6.958 5.380 -4.736 1.00 9.03 H new ATOM 0 HB THR A 55 9.280 4.807 -5.292 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.944 7.591 -4.892 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.564 6.329 -7.399 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.885 5.782 -7.177 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.356 7.429 -6.693 1.00 11.71 H new ATOM 885 N LEU A 56 8.610 3.999 -3.131 1.00 6.91 N ATOM 886 CA LEU A 56 8.932 3.213 -1.994 1.00 8.29 C ATOM 887 C LEU A 56 10.225 3.613 -1.376 1.00 8.05 C ATOM 888 O LEU A 56 10.437 3.622 -0.173 1.00 10.17 O ATOM 889 CB LEU A 56 8.901 1.758 -2.321 1.00 6.60 C ATOM 890 CG LEU A 56 7.525 1.016 -2.287 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.577 1.504 -3.369 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.764 -0.443 -2.515 1.00 8.64 C ATOM 0 H LEU A 56 8.637 3.484 -4.011 1.00 6.91 H new ATOM 0 HA LEU A 56 8.163 3.402 -1.245 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.321 1.633 -3.319 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.570 1.248 -1.628 1.00 6.60 H new ATOM 0 HG LEU A 56 7.070 1.213 -1.316 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.636 0.957 -3.302 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.388 2.569 -3.234 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.025 1.336 -4.348 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.813 -0.975 -2.494 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.239 -0.587 -3.486 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.415 -0.832 -1.732 1.00 8.64 H new ATOM 904 N SER A 57 11.269 3.901 -2.247 1.00 8.92 N ATOM 905 CA SER A 57 12.518 4.431 -1.805 1.00 9.00 C ATOM 906 C SER A 57 12.448 5.746 -1.130 1.00 9.44 C ATOM 907 O SER A 57 13.178 5.993 -0.206 1.00 10.91 O ATOM 908 CB SER A 57 13.581 4.501 -2.899 1.00 10.32 C ATOM 909 OG SER A 57 13.391 5.543 -3.863 1.00 13.59 O ATOM 0 H SER A 57 11.216 3.755 -3.255 1.00 8.92 H new ATOM 0 HA SER A 57 12.814 3.694 -1.059 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.556 4.635 -2.429 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.607 3.544 -3.421 1.00 10.32 H new ATOM 0 HG SER A 57 14.116 5.515 -4.522 1.00 13.59 H new ATOM 915 N ASP A 58 11.470 6.601 -1.568 1.00 9.11 N ATOM 916 CA ASP A 58 11.144 7.920 -0.942 1.00 7.91 C ATOM 917 C ASP A 58 10.746 7.777 0.530 1.00 9.12 C ATOM 918 O ASP A 58 11.174 8.569 1.366 1.00 8.61 O ATOM 919 CB ASP A 58 9.978 8.778 -1.645 1.00 8.41 C ATOM 920 CG ASP A 58 10.428 9.148 -3.053 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.584 9.597 -3.226 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.580 9.004 -3.953 1.00 11.70 O ATOM 0 H ASP A 58 10.882 6.389 -2.374 1.00 9.11 H new ATOM 0 HA ASP A 58 12.082 8.461 -1.071 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.054 8.201 -1.683 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.769 9.678 -1.066 1.00 8.41 H new ATOM 927 N TYR A 59 9.964 6.713 0.872 1.00 7.97 N ATOM 928 CA TYR A 59 9.454 6.529 2.208 1.00 8.45 C ATOM 929 C TYR A 59 10.248 5.541 2.993 1.00 10.98 C ATOM 930 O TYR A 59 9.835 5.263 4.099 1.00 12.95 O ATOM 931 CB TYR A 59 8.086 5.879 2.074 1.00 7.94 C ATOM 932 CG TYR A 59 7.043 6.970 1.850 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.630 7.872 2.871 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.436 7.115 0.528 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.676 8.823 2.636 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.355 8.027 0.336 1.00 6.52 C ATOM 937 CZ TYR A 59 5.040 8.905 1.413 1.00 6.76 C ATOM 938 OH TYR A 59 4.158 9.952 1.210 1.00 7.63 O ATOM 0 H TYR A 59 9.688 5.982 0.217 1.00 7.97 H new ATOM 0 HA TYR A 59 9.468 7.501 2.701 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.082 5.176 1.241 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.849 5.309 2.973 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.079 7.804 3.851 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.805 6.532 -0.303 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.416 9.520 3.419 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.798 8.051 -0.589 1.00 6.52 H new ATOM 0 HH TYR A 59 4.441 10.726 1.740 1.00 7.63 H new ATOM 948 N ASN A 60 11.375 5.022 2.438 1.00 12.38 N ATOM 949 CA ASN A 60 12.332 4.149 3.049 1.00 13.94 C ATOM 950 C ASN A 60 11.792 2.753 3.310 1.00 14.16 C ATOM 951 O ASN A 60 12.114 2.172 4.352 1.00 14.26 O ATOM 952 CB ASN A 60 12.970 4.766 4.329 1.00 19.23 C ATOM 953 CG ASN A 60 13.565 6.148 4.081 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.209 7.184 4.633 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.570 6.121 3.222 1.00 24.09 N ATOM 0 H ASN A 60 11.630 5.239 1.475 1.00 12.38 H new ATOM 0 HA ASN A 60 13.129 4.036 2.314 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.213 4.835 5.110 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.750 4.100 4.699 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.075 6.979 3.001 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.840 5.242 2.781 1.00 24.09 H new ATOM 962 N ILE A 61 11.014 2.187 2.325 1.00 11.08 N ATOM 963 CA ILE A 61 10.334 0.911 2.453 1.00 11.78 C ATOM 964 C ILE A 61 11.370 -0.163 1.988 1.00 13.74 C ATOM 965 O ILE A 61 12.091 0.037 0.990 1.00 14.60 O ATOM 966 CB ILE A 61 8.956 0.796 1.839 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.935 1.788 2.373 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.371 -0.631 1.945 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.784 2.106 1.455 1.00 11.42 C ATOM 0 H ILE A 61 10.860 2.635 1.422 1.00 11.08 H new ATOM 0 HA ILE A 61 10.044 0.759 3.493 1.00 11.78 H new ATOM 0 HB ILE A 61 9.132 1.043 0.792 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.532 1.397 3.307 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.451 2.718 2.612 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.382 -0.653 1.488 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.026 -1.332 1.427 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.293 -0.915 2.994 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.120 2.823 1.939 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.166 2.533 0.528 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.232 1.193 1.234 1.00 11.42 H new ATOM 981 N GLN A 62 11.402 -1.336 2.613 1.00 13.97 N ATOM 982 CA GLN A 62 12.349 -2.374 2.307 1.00 15.52 C ATOM 983 C GLN A 62 11.587 -3.678 2.194 1.00 13.94 C ATOM 984 O GLN A 62 10.380 -3.747 2.482 1.00 12.15 O ATOM 985 CB GLN A 62 13.357 -2.541 3.436 1.00 19.53 C ATOM 986 CG GLN A 62 14.183 -1.237 3.686 1.00 26.38 C ATOM 987 CD GLN A 62 15.302 -1.536 4.664 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.199 -1.607 5.895 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.536 -1.735 4.062 1.00 32.71 N ATOM 0 H GLN A 62 10.753 -1.585 3.359 1.00 13.97 H new ATOM 0 HA GLN A 62 12.872 -2.114 1.387 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.833 -2.819 4.351 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.036 -3.359 3.197 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.594 -0.867 2.747 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.537 -0.453 4.082 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.624 -1.677 3.047 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.355 -1.939 4.634 1.00 32.71 H new ATOM 998 N LYS A 63 12.239 -4.834 1.784 1.00 11.73 N ATOM 999 CA LYS A 63 11.634 -6.158 1.828 1.00 11.97 C ATOM 1000 C LYS A 63 11.175 -6.486 3.261 1.00 10.41 C ATOM 1001 O LYS A 63 11.675 -5.976 4.258 1.00 9.59 O ATOM 1002 CB LYS A 63 12.605 -7.233 1.375 1.00 13.73 C ATOM 1003 CG LYS A 63 13.831 -7.484 2.219 1.00 16.98 C ATOM 1004 CD LYS A 63 14.808 -8.422 1.464 1.00 20.19 C ATOM 1005 CE LYS A 63 15.945 -9.032 2.308 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.509 -10.181 3.108 1.00 25.97 N ATOM 0 H LYS A 63 13.192 -4.834 1.422 1.00 11.73 H new ATOM 0 HA LYS A 63 10.781 -6.144 1.150 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.054 -8.170 1.300 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.939 -6.979 0.369 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.324 -6.540 2.449 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.543 -7.933 3.170 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.232 -9.236 1.024 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.253 -7.864 0.640 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.755 -9.342 1.647 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.349 -8.267 2.971 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.232 -10.401 3.822 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.612 -9.953 3.582 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.374 -11.005 2.488 1.00 25.97 H new ATOM 1020 N GLU A 64 10.119 -7.320 3.347 1.00 10.04 N ATOM 1021 CA GLU A 64 9.589 -7.864 4.595 1.00 10.94 C ATOM 1022 C GLU A 64 8.889 -6.904 5.559 1.00 9.74 C ATOM 1023 O GLU A 64 8.411 -7.298 6.638 1.00 9.42 O ATOM 1024 CB GLU A 64 10.536 -8.724 5.320 1.00 18.31 C ATOM 1025 CG GLU A 64 11.260 -9.767 4.374 1.00 24.16 C ATOM 1026 CD GLU A 64 12.554 -10.260 5.080 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.553 -11.300 5.826 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.633 -9.716 4.873 1.00 31.72 O ATOM 0 H GLU A 64 9.605 -7.636 2.525 1.00 10.04 H new ATOM 0 HA GLU A 64 8.779 -8.476 4.198 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.285 -8.101 5.809 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.005 -9.260 6.107 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.600 -10.608 4.163 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.503 -9.305 3.417 1.00 24.16 H new ATOM 1035 N SER A 65 8.755 -5.606 5.127 1.00 6.85 N ATOM 1036 CA SER A 65 8.056 -4.540 5.810 1.00 6.90 C ATOM 1037 C SER A 65 6.599 -4.830 5.902 1.00 4.72 C ATOM 1038 O SER A 65 5.985 -5.318 4.972 1.00 3.91 O ATOM 1039 CB SER A 65 8.224 -3.176 5.118 1.00 7.28 C ATOM 1040 OG SER A 65 9.588 -2.894 4.909 1.00 10.56 O ATOM 0 H SER A 65 9.164 -5.294 4.246 1.00 6.85 H new ATOM 0 HA SER A 65 8.502 -4.487 6.803 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.697 -3.178 4.164 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.774 -2.394 5.729 1.00 7.28 H new ATOM 0 HG SER A 65 9.860 -3.228 4.029 1.00 10.56 H new ATOM 1046 N THR A 66 5.963 -4.375 7.020 1.00 4.48 N ATOM 1047 CA THR A 66 4.575 -4.722 7.193 1.00 3.80 C ATOM 1048 C THR A 66 3.771 -3.484 7.008 1.00 4.60 C ATOM 1049 O THR A 66 3.868 -2.450 7.697 1.00 5.33 O ATOM 1050 CB THR A 66 4.228 -5.249 8.610 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.060 -6.343 8.874 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.786 -5.729 8.616 1.00 3.40 C ATOM 0 H THR A 66 6.380 -3.805 7.756 1.00 4.48 H new ATOM 0 HA THR A 66 4.361 -5.511 6.473 1.00 3.80 H new ATOM 0 HB THR A 66 4.363 -4.465 9.356 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.863 -6.696 9.767 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.531 -6.102 9.608 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.126 -4.901 8.359 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.666 -6.529 7.886 1.00 3.40 H new ATOM 1060 N LEU A 67 2.866 -3.515 6.001 1.00 4.17 N ATOM 1061 CA LEU A 67 1.994 -2.437 5.710 1.00 3.85 C ATOM 1062 C LEU A 67 0.603 -2.694 6.303 1.00 3.80 C ATOM 1063 O LEU A 67 0.142 -3.806 6.573 1.00 5.54 O ATOM 1064 CB LEU A 67 1.900 -2.208 4.190 1.00 7.18 C ATOM 1065 CG LEU A 67 2.889 -1.143 3.586 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.416 -1.268 3.894 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.718 -0.866 2.038 1.00 11.66 C ATOM 0 H LEU A 67 2.748 -4.316 5.381 1.00 4.17 H new ATOM 0 HA LEU A 67 2.402 -1.535 6.167 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.074 -3.160 3.689 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.881 -1.903 3.952 1.00 7.18 H new ATOM 0 HG LEU A 67 2.537 -0.292 4.168 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.954 -0.457 3.403 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.576 -1.210 4.971 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.785 -2.224 3.524 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.445 -0.118 1.720 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.881 -1.790 1.483 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.710 -0.499 1.843 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.172 -1.571 6.454 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.599 -1.764 6.836 1.00 4.17 C ATOM 1081 C HIS A 68 -2.380 -1.122 5.757 1.00 5.32 C ATOM 1082 O HIS A 68 -2.118 0.008 5.353 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.828 -1.142 8.236 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.489 -1.994 9.435 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.198 -2.343 9.794 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.334 -2.638 10.287 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.289 -3.136 10.882 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.574 -3.335 11.257 1.00 16.30 N ATOM 0 H HIS A 68 0.137 -0.607 6.329 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.903 -2.807 6.925 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.243 -0.225 8.298 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.877 -0.856 8.311 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.412 -2.620 10.232 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.562 -3.561 11.393 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.917 -3.867 12.057 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.435 -1.868 5.307 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.406 -1.367 4.354 1.00 3.97 C ATOM 1098 C LEU A 69 -5.686 -0.925 5.026 1.00 5.07 C ATOM 1099 O LEU A 69 -6.395 -1.740 5.691 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.732 -2.353 3.169 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.042 -1.987 2.324 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.867 -0.756 1.436 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.298 -3.218 1.469 1.00 9.96 C ATOM 0 H LEU A 69 -3.612 -2.826 5.609 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.916 -0.501 3.908 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.878 -2.379 2.493 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.849 -3.358 3.574 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.868 -1.736 2.989 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.792 -0.565 0.892 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.625 0.108 2.055 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.058 -0.931 0.726 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.183 -3.056 0.853 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.437 -3.400 0.826 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.458 -4.082 2.114 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.948 0.422 4.971 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.129 1.000 5.526 1.00 6.26 C ATOM 1117 C VAL A 70 -8.030 1.312 4.390 1.00 9.22 C ATOM 1118 O VAL A 70 -7.568 1.419 3.299 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.767 2.368 6.181 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.992 3.143 6.633 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.785 2.155 7.330 1.00 8.54 C ATOM 0 H VAL A 70 -5.323 1.099 4.533 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.577 0.324 6.254 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.288 2.981 5.418 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.681 4.087 7.081 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.633 3.343 5.775 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.543 2.556 7.368 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.538 3.116 7.781 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.238 1.508 8.081 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.876 1.689 6.950 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.322 1.412 4.577 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.284 1.727 3.488 1.00 16.06 C ATOM 1133 C LEU A 71 -10.955 3.087 3.750 1.00 18.09 C ATOM 1134 O LEU A 71 -11.526 3.353 4.827 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.312 0.544 3.123 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.686 -0.788 2.743 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.756 -1.806 2.358 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.752 -0.640 1.583 1.00 19.57 C ATOM 0 H LEU A 71 -9.764 1.281 5.487 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.703 1.813 2.570 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.969 0.384 3.978 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.940 0.877 2.297 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.136 -1.135 3.618 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.281 -2.750 2.091 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.428 -1.964 3.202 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.324 -1.432 1.506 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.321 -1.610 1.337 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.299 -0.257 0.722 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.954 0.055 1.845 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.838 4.023 2.762 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.486 5.322 2.675 1.00 25.83 C ATOM 1152 C ARG A 72 -12.823 5.206 1.883 1.00 27.74 C ATOM 1153 O ARG A 72 -12.754 5.141 0.650 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.505 6.394 2.022 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.995 7.783 2.006 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.967 8.835 1.544 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.515 10.164 1.565 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.828 11.294 1.271 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.504 11.275 1.096 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.470 12.436 1.100 1.00 35.02 N ATOM 0 H ARG A 72 -10.237 3.854 1.955 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.724 5.667 3.681 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.558 6.369 2.561 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.296 6.090 0.996 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.865 7.837 1.352 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.333 8.044 3.009 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.090 8.794 2.190 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.632 8.596 0.535 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.497 10.264 1.821 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.991 10.398 1.183 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.006 12.138 0.875 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.486 12.468 1.189 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.950 13.285 0.879 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.029 5.175 2.491 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.378 5.049 1.924 1.00 30.76 C ATOM 1176 C LEU A 73 -15.631 6.249 1.064 1.00 32.18 C ATOM 1177 O LEU A 73 -15.182 7.356 1.328 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.277 4.851 3.110 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.913 3.708 4.054 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.059 3.634 5.142 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.744 2.347 3.365 1.00 29.11 C ATOM 0 H LEU A 73 -14.079 5.246 3.507 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.546 4.207 1.253 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.293 5.777 3.685 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.291 4.684 2.746 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.936 3.920 4.489 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.843 2.828 5.843 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.111 4.580 5.681 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.014 3.443 4.652 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.486 1.592 4.108 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.677 2.069 2.874 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.949 2.411 2.622 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.443 6.049 -0.005 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.994 7.078 -0.883 1.00 35.33 C ATOM 1195 C ARG A 74 -17.752 8.122 -0.089 1.00 36.22 C ATOM 1196 O ARG A 74 -18.361 7.871 0.962 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.937 6.575 -2.027 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.382 5.529 -2.985 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.978 5.704 -3.658 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.657 4.447 -4.417 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.095 4.349 -5.647 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.481 5.379 -6.225 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.300 3.265 -6.358 1.00 41.93 N ATOM 0 H ARG A 74 -16.738 5.112 -0.280 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.107 7.489 -1.365 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.836 6.166 -1.567 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.245 7.440 -2.614 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.359 4.583 -2.444 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.109 5.418 -3.790 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.984 6.562 -4.330 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.216 5.896 -2.902 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.888 3.568 -3.954 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.423 6.275 -5.741 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.068 5.272 -7.152 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.876 2.511 -5.984 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.884 3.177 -7.285 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.728 9.380 -0.598 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.271 10.588 0.076 1.00 36.07 C ATOM 1219 C GLY A 75 -17.510 11.005 1.289 1.00 36.16 C ATOM 1220 O GLY A 75 -18.037 11.221 2.388 1.00 36.26 O ATOM 0 H GLY A 75 -17.321 9.588 -1.510 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.280 11.414 -0.635 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.307 10.398 0.358 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.199 11.016 1.110 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.326 11.361 2.247 1.00 36.19 C ATOM 1226 C GLY A 76 -13.811 11.355 1.914 1.00 36.20 C ATOM 1227 O GLY A 76 -13.329 12.026 0.966 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.061 10.584 2.616 1.00 0.00 O ATOM 0 H GLY A 76 -15.721 10.802 0.235 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.601 12.350 2.614 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.510 10.657 3.058 1.00 36.19 H new TER 1232 GLY A 76