USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc=-0.00871 (180deg=-0.162) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 9 THR OG1 : rot -122:sc= 0.241 USER MOD Single : A 13 THR OG1 : rot 68:sc= 0.603 USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= 2.1 (180deg=0.129) USER MOD Single : A 18 THR OG1 : rot 147:sc= -0.342 USER MOD Single : A 22 SER OG : rot -72:sc= 0.707 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 50 THR OG1 : rot -50:sc= 0.432 USER MOD Single : A 51 ASN : amide:sc= 0.107 K(o=0.11,f=-0.61) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0.997 (180deg=0.961) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.7) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.145 -32.074 -6.730 1.00 17.78 N ATOM 2 CA MET A 1 30.244 -33.519 -7.002 1.00 17.98 C ATOM 3 C MET A 1 28.988 -34.014 -7.701 1.00 17.63 C ATOM 4 O MET A 1 29.011 -34.125 -8.921 1.00 18.57 O ATOM 5 CB MET A 1 30.572 -34.343 -5.751 1.00 17.86 C ATOM 6 CG MET A 1 32.065 -34.243 -5.437 1.00 18.80 C ATOM 7 SD MET A 1 32.586 -35.293 -4.059 1.00 18.72 S ATOM 8 CE MET A 1 34.378 -35.036 -4.149 1.00 20.24 C ATOM 0 H1 MET A 1 31.010 -31.751 -6.252 1.00 17.78 H new ATOM 0 H2 MET A 1 30.031 -31.559 -7.626 1.00 17.78 H new ATOM 0 H3 MET A 1 29.323 -31.891 -6.119 1.00 17.78 H new ATOM 0 HA MET A 1 31.089 -33.665 -7.674 1.00 17.98 H new ATOM 0 HB2 MET A 1 29.989 -33.982 -4.904 1.00 17.86 H new ATOM 0 HB3 MET A 1 30.294 -35.385 -5.908 1.00 17.86 H new ATOM 0 HG2 MET A 1 32.634 -34.515 -6.326 1.00 18.80 H new ATOM 0 HG3 MET A 1 32.311 -33.206 -5.206 1.00 18.80 H new ATOM 0 HE1 MET A 1 34.868 -35.613 -3.365 1.00 20.24 H new ATOM 0 HE2 MET A 1 34.744 -35.362 -5.123 1.00 20.24 H new ATOM 0 HE3 MET A 1 34.601 -33.978 -4.014 1.00 20.24 H new ATOM 20 N LYS A 2 27.900 -34.306 -6.979 1.00 16.53 N ATOM 21 CA LYS A 2 26.732 -34.926 -7.596 1.00 16.53 C ATOM 22 C LYS A 2 25.462 -34.265 -7.068 1.00 15.39 C ATOM 23 O LYS A 2 24.648 -34.886 -6.396 1.00 15.04 O ATOM 24 CB LYS A 2 26.792 -36.447 -7.362 1.00 17.14 C ATOM 25 CG LYS A 2 26.322 -37.197 -8.611 1.00 18.08 C ATOM 26 CD LYS A 2 26.461 -38.709 -8.401 1.00 18.85 C ATOM 27 CE LYS A 2 26.175 -39.486 -9.692 1.00 20.10 C ATOM 28 NZ LYS A 2 27.202 -39.246 -10.731 1.00 20.97 N ATOM 0 H LYS A 2 27.808 -34.124 -5.980 1.00 16.53 H new ATOM 0 HA LYS A 2 26.724 -34.774 -8.675 1.00 16.53 H new ATOM 0 HB2 LYS A 2 27.811 -36.743 -7.114 1.00 17.14 H new ATOM 0 HB3 LYS A 2 26.166 -36.716 -6.511 1.00 17.14 H new ATOM 0 HG2 LYS A 2 25.283 -36.946 -8.826 1.00 18.08 H new ATOM 0 HG3 LYS A 2 26.910 -36.886 -9.474 1.00 18.08 H new ATOM 0 HD2 LYS A 2 27.468 -38.938 -8.053 1.00 18.85 H new ATOM 0 HD3 LYS A 2 25.773 -39.033 -7.620 1.00 18.85 H new ATOM 0 HE2 LYS A 2 26.129 -40.552 -9.469 1.00 20.10 H new ATOM 0 HE3 LYS A 2 25.197 -39.198 -10.078 1.00 20.10 H new ATOM 0 HZ1 LYS A 2 27.085 -39.936 -11.500 1.00 20.97 H new ATOM 0 HZ2 LYS A 2 27.094 -38.283 -11.110 1.00 20.97 H new ATOM 0 HZ3 LYS A 2 28.149 -39.350 -10.314 1.00 20.97 H new ATOM 42 N GLN A 3 25.326 -32.971 -7.347 1.00 15.02 N ATOM 43 CA GLN A 3 24.209 -32.152 -6.912 1.00 14.01 C ATOM 44 C GLN A 3 24.106 -30.986 -7.894 1.00 14.00 C ATOM 45 O GLN A 3 25.040 -30.760 -8.664 1.00 14.92 O ATOM 46 CB GLN A 3 24.468 -31.678 -5.472 1.00 13.59 C ATOM 47 CG GLN A 3 23.197 -31.201 -4.754 1.00 12.89 C ATOM 48 CD GLN A 3 23.440 -30.950 -3.266 1.00 12.81 C ATOM 49 OE1 GLN A 3 24.418 -31.412 -2.691 1.00 13.29 O ATOM 50 NE2 GLN A 3 22.551 -30.216 -2.609 1.00 12.57 N ATOM 0 H GLN A 3 26.011 -32.454 -7.897 1.00 15.02 H new ATOM 0 HA GLN A 3 23.267 -32.701 -6.905 1.00 14.01 H new ATOM 0 HB2 GLN A 3 24.915 -32.493 -4.903 1.00 13.59 H new ATOM 0 HB3 GLN A 3 25.195 -30.866 -5.489 1.00 13.59 H new ATOM 0 HG2 GLN A 3 22.838 -30.284 -5.222 1.00 12.89 H new ATOM 0 HG3 GLN A 3 22.412 -31.948 -4.872 1.00 12.89 H new ATOM 0 HE21 GLN A 3 21.741 -29.837 -3.099 1.00 12.57 H new ATOM 0 HE22 GLN A 3 22.678 -30.031 -1.614 1.00 12.57 H new ATOM 59 N ASP A 4 22.994 -30.256 -7.856 1.00 13.16 N ATOM 60 CA ASP A 4 22.773 -29.077 -8.678 1.00 13.11 C ATOM 61 C ASP A 4 22.570 -27.907 -7.717 1.00 12.19 C ATOM 62 O ASP A 4 23.542 -27.368 -7.192 1.00 12.43 O ATOM 63 CB ASP A 4 21.616 -29.349 -9.652 1.00 13.33 C ATOM 64 CG ASP A 4 21.416 -28.221 -10.661 1.00 13.86 C ATOM 65 OD1 ASP A 4 20.666 -28.464 -11.631 1.00 14.68 O ATOM 66 OD2 ASP A 4 22.019 -27.148 -10.454 1.00 13.72 O ATOM 0 H ASP A 4 22.210 -30.474 -7.241 1.00 13.16 H new ATOM 0 HA ASP A 4 23.615 -28.822 -9.321 1.00 13.11 H new ATOM 0 HB2 ASP A 4 21.808 -30.279 -10.187 1.00 13.33 H new ATOM 0 HB3 ASP A 4 20.696 -29.491 -9.085 1.00 13.33 H new ATOM 71 N GLY A 5 21.325 -27.596 -7.370 1.00 11.34 N ATOM 72 CA GLY A 5 21.006 -26.598 -6.366 1.00 10.47 C ATOM 73 C GLY A 5 19.494 -26.477 -6.249 1.00 9.54 C ATOM 74 O GLY A 5 18.764 -27.316 -6.775 1.00 9.70 O ATOM 0 H GLY A 5 20.504 -28.037 -7.785 1.00 11.34 H new ATOM 0 HA2 GLY A 5 21.436 -26.880 -5.405 1.00 10.47 H new ATOM 0 HA3 GLY A 5 21.440 -25.637 -6.640 1.00 10.47 H new ATOM 78 N GLU A 6 19.023 -25.427 -5.582 1.00 8.78 N ATOM 79 CA GLU A 6 17.634 -25.011 -5.616 1.00 7.99 C ATOM 80 C GLU A 6 17.614 -23.488 -5.509 1.00 7.51 C ATOM 81 O GLU A 6 18.616 -22.884 -5.126 1.00 7.91 O ATOM 82 CB GLU A 6 16.815 -25.674 -4.499 1.00 7.72 C ATOM 83 CG GLU A 6 17.366 -25.400 -3.092 1.00 7.97 C ATOM 84 CD GLU A 6 16.370 -25.813 -2.005 1.00 7.99 C ATOM 85 OE1 GLU A 6 15.841 -26.942 -2.103 1.00 8.42 O ATOM 86 OE2 GLU A 6 16.156 -24.995 -1.082 1.00 8.03 O ATOM 0 H GLU A 6 19.610 -24.835 -4.994 1.00 8.78 H new ATOM 0 HA GLU A 6 17.167 -25.328 -6.548 1.00 7.99 H new ATOM 0 HB2 GLU A 6 15.786 -25.318 -4.553 1.00 7.72 H new ATOM 0 HB3 GLU A 6 16.790 -26.751 -4.668 1.00 7.72 H new ATOM 0 HG2 GLU A 6 18.301 -25.943 -2.955 1.00 7.97 H new ATOM 0 HG3 GLU A 6 17.596 -24.339 -2.991 1.00 7.97 H new ATOM 93 N GLU A 7 16.487 -22.868 -5.847 1.00 6.86 N ATOM 94 CA GLU A 7 16.306 -21.428 -5.780 1.00 6.43 C ATOM 95 C GLU A 7 14.823 -21.153 -5.525 1.00 5.51 C ATOM 96 O GLU A 7 14.026 -22.088 -5.446 1.00 5.52 O ATOM 97 CB GLU A 7 16.807 -20.770 -7.081 1.00 6.90 C ATOM 98 CG GLU A 7 18.073 -19.953 -6.805 1.00 7.70 C ATOM 99 CD GLU A 7 18.632 -19.324 -8.082 1.00 8.67 C ATOM 100 OE1 GLU A 7 19.130 -20.092 -8.935 1.00 9.69 O ATOM 101 OE2 GLU A 7 18.554 -18.079 -8.188 1.00 8.70 O ATOM 0 H GLU A 7 15.661 -23.365 -6.181 1.00 6.86 H new ATOM 0 HA GLU A 7 16.890 -20.996 -4.967 1.00 6.43 H new ATOM 0 HB2 GLU A 7 17.015 -21.536 -7.828 1.00 6.90 H new ATOM 0 HB3 GLU A 7 16.031 -20.125 -7.493 1.00 6.90 H new ATOM 0 HG2 GLU A 7 17.849 -19.169 -6.081 1.00 7.70 H new ATOM 0 HG3 GLU A 7 18.830 -20.596 -6.355 1.00 7.70 H new ATOM 108 N GLY A 8 14.457 -19.878 -5.378 1.00 5.04 N ATOM 109 CA GLY A 8 13.081 -19.482 -5.130 1.00 4.47 C ATOM 110 C GLY A 8 12.342 -19.243 -6.443 1.00 4.10 C ATOM 111 O GLY A 8 12.533 -19.964 -7.420 1.00 4.68 O ATOM 0 H GLY A 8 15.110 -19.096 -5.429 1.00 5.04 H new ATOM 0 HA2 GLY A 8 12.572 -20.257 -4.557 1.00 4.47 H new ATOM 0 HA3 GLY A 8 13.062 -18.575 -4.526 1.00 4.47 H new ATOM 115 N THR A 9 11.463 -18.242 -6.475 1.00 3.68 N ATOM 116 CA THR A 9 10.682 -17.932 -7.655 1.00 3.96 C ATOM 117 C THR A 9 10.312 -16.446 -7.579 1.00 3.38 C ATOM 118 O THR A 9 11.080 -15.661 -7.027 1.00 3.21 O ATOM 119 CB THR A 9 9.505 -18.923 -7.742 1.00 5.06 C ATOM 120 OG1 THR A 9 8.794 -18.771 -8.952 1.00 5.92 O ATOM 121 CG2 THR A 9 8.536 -18.794 -6.566 1.00 5.42 C ATOM 0 H THR A 9 11.278 -17.629 -5.681 1.00 3.68 H new ATOM 0 HA THR A 9 11.223 -18.062 -8.592 1.00 3.96 H new ATOM 0 HB THR A 9 9.950 -19.917 -7.704 1.00 5.06 H new ATOM 0 HG1 THR A 9 7.855 -18.569 -8.757 1.00 5.92 H new ATOM 0 HG21 THR A 9 7.727 -19.516 -6.680 1.00 5.42 H new ATOM 0 HG22 THR A 9 9.067 -18.988 -5.634 1.00 5.42 H new ATOM 0 HG23 THR A 9 8.122 -17.786 -6.545 1.00 5.42 H new ATOM 129 N GLU A 10 9.171 -16.057 -8.142 1.00 3.77 N ATOM 130 CA GLU A 10 8.704 -14.682 -8.231 1.00 3.53 C ATOM 131 C GLU A 10 8.652 -14.023 -6.844 1.00 2.75 C ATOM 132 O GLU A 10 7.942 -14.511 -5.967 1.00 3.36 O ATOM 133 CB GLU A 10 7.307 -14.724 -8.874 1.00 4.51 C ATOM 134 CG GLU A 10 6.975 -13.451 -9.654 1.00 4.92 C ATOM 135 CD GLU A 10 7.744 -13.420 -10.976 1.00 5.74 C ATOM 136 OE1 GLU A 10 8.942 -13.063 -10.925 1.00 6.00 O ATOM 137 OE2 GLU A 10 7.141 -13.788 -12.008 1.00 6.68 O ATOM 0 H GLU A 10 8.522 -16.721 -8.565 1.00 3.77 H new ATOM 0 HA GLU A 10 9.388 -14.083 -8.832 1.00 3.53 H new ATOM 0 HB2 GLU A 10 7.246 -15.582 -9.544 1.00 4.51 H new ATOM 0 HB3 GLU A 10 6.558 -14.874 -8.096 1.00 4.51 H new ATOM 0 HG2 GLU A 10 5.903 -13.405 -9.848 1.00 4.92 H new ATOM 0 HG3 GLU A 10 7.229 -12.575 -9.058 1.00 4.92 H new ATOM 144 N GLU A 11 9.384 -12.922 -6.617 1.00 2.08 N ATOM 145 CA GLU A 11 9.350 -12.258 -5.315 1.00 1.60 C ATOM 146 C GLU A 11 9.772 -10.783 -5.405 1.00 1.63 C ATOM 147 O GLU A 11 10.639 -10.324 -4.660 1.00 2.34 O ATOM 148 CB GLU A 11 10.242 -13.014 -4.310 1.00 1.97 C ATOM 149 CG GLU A 11 9.831 -12.642 -2.875 1.00 2.57 C ATOM 150 CD GLU A 11 11.024 -12.402 -1.948 1.00 3.13 C ATOM 151 OE1 GLU A 11 11.071 -11.283 -1.381 1.00 3.77 O ATOM 152 OE2 GLU A 11 11.854 -13.324 -1.800 1.00 3.90 O ATOM 0 H GLU A 11 9.994 -12.483 -7.306 1.00 2.08 H new ATOM 0 HA GLU A 11 8.318 -12.276 -4.965 1.00 1.60 H new ATOM 0 HB2 GLU A 11 10.145 -14.089 -4.460 1.00 1.97 H new ATOM 0 HB3 GLU A 11 11.289 -12.762 -4.476 1.00 1.97 H new ATOM 0 HG2 GLU A 11 9.214 -11.744 -2.902 1.00 2.57 H new ATOM 0 HG3 GLU A 11 9.214 -13.440 -2.463 1.00 2.57 H new ATOM 159 N ASP A 12 9.134 -9.985 -6.260 1.00 1.30 N ATOM 160 CA ASP A 12 9.452 -8.565 -6.379 1.00 1.38 C ATOM 161 C ASP A 12 8.145 -7.800 -6.483 1.00 1.29 C ATOM 162 O ASP A 12 7.311 -8.149 -7.312 1.00 1.69 O ATOM 163 CB ASP A 12 10.352 -8.280 -7.585 1.00 1.80 C ATOM 164 CG ASP A 12 10.749 -6.802 -7.619 1.00 2.14 C ATOM 165 OD1 ASP A 12 10.403 -6.087 -6.647 1.00 2.65 O ATOM 166 OD2 ASP A 12 11.398 -6.399 -8.606 1.00 2.88 O ATOM 0 H ASP A 12 8.390 -10.301 -6.883 1.00 1.30 H new ATOM 0 HA ASP A 12 10.010 -8.244 -5.499 1.00 1.38 H new ATOM 0 HB2 ASP A 12 11.246 -8.902 -7.534 1.00 1.80 H new ATOM 0 HB3 ASP A 12 9.831 -8.544 -8.505 1.00 1.80 H new ATOM 171 N THR A 13 7.966 -6.816 -5.593 1.00 1.13 N ATOM 172 CA THR A 13 6.794 -5.958 -5.441 1.00 1.06 C ATOM 173 C THR A 13 5.494 -6.690 -5.803 1.00 1.02 C ATOM 174 O THR A 13 4.648 -6.166 -6.523 1.00 1.23 O ATOM 175 CB THR A 13 7.033 -4.666 -6.237 1.00 1.27 C ATOM 176 OG1 THR A 13 8.350 -4.207 -5.984 1.00 1.97 O ATOM 177 CG2 THR A 13 6.102 -3.533 -5.792 1.00 1.72 C ATOM 0 H THR A 13 8.691 -6.586 -4.914 1.00 1.13 H new ATOM 0 HA THR A 13 6.658 -5.686 -4.394 1.00 1.06 H new ATOM 0 HB THR A 13 6.856 -4.902 -7.286 1.00 1.27 H new ATOM 0 HG1 THR A 13 8.995 -4.831 -6.377 1.00 1.97 H new ATOM 0 HG21 THR A 13 6.307 -2.640 -6.382 1.00 1.72 H new ATOM 0 HG22 THR A 13 5.065 -3.835 -5.940 1.00 1.72 H new ATOM 0 HG23 THR A 13 6.270 -3.317 -4.737 1.00 1.72 H new ATOM 185 N GLU A 14 5.351 -7.913 -5.286 1.00 0.88 N ATOM 186 CA GLU A 14 4.282 -8.822 -5.666 1.00 0.89 C ATOM 187 C GLU A 14 3.182 -8.653 -4.621 1.00 0.79 C ATOM 188 O GLU A 14 2.292 -7.829 -4.807 1.00 1.00 O ATOM 189 CB GLU A 14 4.858 -10.247 -5.831 1.00 0.94 C ATOM 190 CG GLU A 14 4.368 -10.944 -7.110 1.00 1.19 C ATOM 191 CD GLU A 14 2.873 -11.260 -7.101 1.00 2.05 C ATOM 192 OE1 GLU A 14 2.251 -11.045 -6.041 1.00 3.50 O ATOM 193 OE2 GLU A 14 2.377 -11.708 -8.158 1.00 3.00 O ATOM 0 H GLU A 14 5.984 -8.298 -4.585 1.00 0.88 H new ATOM 0 HA GLU A 14 3.834 -8.607 -6.636 1.00 0.89 H new ATOM 0 HB2 GLU A 14 5.947 -10.194 -5.846 1.00 0.94 H new ATOM 0 HB3 GLU A 14 4.580 -10.849 -4.966 1.00 0.94 H new ATOM 0 HG2 GLU A 14 4.591 -10.310 -7.968 1.00 1.19 H new ATOM 0 HG3 GLU A 14 4.926 -11.871 -7.245 1.00 1.19 H new ATOM 200 N GLU A 15 3.303 -9.296 -3.454 1.00 0.76 N ATOM 201 CA GLU A 15 2.346 -9.119 -2.372 1.00 0.67 C ATOM 202 C GLU A 15 3.146 -8.964 -1.082 1.00 0.67 C ATOM 203 O GLU A 15 3.220 -9.843 -0.223 1.00 0.79 O ATOM 204 CB GLU A 15 1.289 -10.241 -2.386 1.00 0.83 C ATOM 205 CG GLU A 15 0.050 -9.702 -3.121 1.00 2.18 C ATOM 206 CD GLU A 15 -1.143 -10.658 -3.166 1.00 2.75 C ATOM 207 OE1 GLU A 15 -2.246 -10.153 -3.479 1.00 3.74 O ATOM 208 OE2 GLU A 15 -0.958 -11.856 -2.864 1.00 3.11 O ATOM 0 H GLU A 15 4.060 -9.945 -3.241 1.00 0.76 H new ATOM 0 HA GLU A 15 1.747 -8.216 -2.484 1.00 0.67 H new ATOM 0 HB2 GLU A 15 1.677 -11.127 -2.889 1.00 0.83 H new ATOM 0 HB3 GLU A 15 1.032 -10.538 -1.369 1.00 0.83 H new ATOM 0 HG2 GLU A 15 -0.264 -8.776 -2.640 1.00 2.18 H new ATOM 0 HG3 GLU A 15 0.333 -9.451 -4.143 1.00 2.18 H new ATOM 215 N LYS A 16 3.787 -7.797 -0.973 1.00 0.62 N ATOM 216 CA LYS A 16 4.675 -7.463 0.126 1.00 0.62 C ATOM 217 C LYS A 16 4.273 -6.093 0.649 1.00 0.58 C ATOM 218 O LYS A 16 4.368 -5.104 -0.076 1.00 0.63 O ATOM 219 CB LYS A 16 6.142 -7.509 -0.338 1.00 0.72 C ATOM 220 CG LYS A 16 6.477 -8.876 -0.955 1.00 0.79 C ATOM 221 CD LYS A 16 7.980 -9.175 -1.024 1.00 0.95 C ATOM 222 CE LYS A 16 8.624 -8.466 -2.211 1.00 1.04 C ATOM 223 NZ LYS A 16 10.045 -8.860 -2.360 1.00 1.21 N ATOM 0 H LYS A 16 3.697 -7.050 -1.662 1.00 0.62 H new ATOM 0 HA LYS A 16 4.588 -8.189 0.935 1.00 0.62 H new ATOM 0 HB2 LYS A 16 6.322 -6.721 -1.069 1.00 0.72 H new ATOM 0 HB3 LYS A 16 6.802 -7.315 0.508 1.00 0.72 H new ATOM 0 HG2 LYS A 16 5.988 -9.656 -0.372 1.00 0.79 H new ATOM 0 HG3 LYS A 16 6.061 -8.921 -1.961 1.00 0.79 H new ATOM 0 HD2 LYS A 16 8.461 -8.855 -0.100 1.00 0.95 H new ATOM 0 HD3 LYS A 16 8.137 -10.250 -1.109 1.00 0.95 H new ATOM 0 HE2 LYS A 16 8.079 -8.708 -3.123 1.00 1.04 H new ATOM 0 HE3 LYS A 16 8.555 -7.387 -2.075 1.00 1.04 H new ATOM 0 HZ1 LYS A 16 10.655 -8.042 -2.160 1.00 1.21 H new ATOM 0 HZ2 LYS A 16 10.264 -9.627 -1.693 1.00 1.21 H new ATOM 0 HZ3 LYS A 16 10.214 -9.188 -3.332 1.00 1.21 H new ATOM 237 N CYS A 17 3.787 -6.033 1.888 1.00 0.54 N ATOM 238 CA CYS A 17 3.376 -4.783 2.495 1.00 0.54 C ATOM 239 C CYS A 17 4.645 -4.007 2.828 1.00 0.57 C ATOM 240 O CYS A 17 5.510 -4.493 3.557 1.00 0.76 O ATOM 241 CB CYS A 17 2.599 -5.087 3.777 1.00 0.53 C ATOM 242 SG CYS A 17 1.972 -3.562 4.528 1.00 0.63 S ATOM 0 H CYS A 17 3.670 -6.848 2.490 1.00 0.54 H new ATOM 0 HA CYS A 17 2.739 -4.204 1.827 1.00 0.54 H new ATOM 0 HB2 CYS A 17 1.768 -5.756 3.554 1.00 0.53 H new ATOM 0 HB3 CYS A 17 3.245 -5.607 4.484 1.00 0.53 H new ATOM 247 N THR A 18 4.736 -2.769 2.351 1.00 0.49 N ATOM 248 CA THR A 18 5.895 -1.926 2.605 1.00 0.55 C ATOM 249 C THR A 18 5.486 -0.786 3.547 1.00 0.54 C ATOM 250 O THR A 18 6.176 0.227 3.671 1.00 0.66 O ATOM 251 CB THR A 18 6.469 -1.483 1.254 1.00 0.74 C ATOM 252 OG1 THR A 18 5.421 -0.961 0.472 1.00 0.94 O ATOM 253 CG2 THR A 18 7.092 -2.666 0.488 1.00 0.88 C ATOM 0 H THR A 18 4.014 -2.327 1.782 1.00 0.49 H new ATOM 0 HA THR A 18 6.698 -2.454 3.120 1.00 0.55 H new ATOM 0 HB THR A 18 7.244 -0.739 1.440 1.00 0.74 H new ATOM 0 HG1 THR A 18 5.765 -0.241 -0.097 1.00 0.94 H new ATOM 0 HG21 THR A 18 7.489 -2.314 -0.464 1.00 0.88 H new ATOM 0 HG22 THR A 18 7.899 -3.098 1.080 1.00 0.88 H new ATOM 0 HG23 THR A 18 6.330 -3.424 0.306 1.00 0.88 H new ATOM 261 N ILE A 19 4.372 -0.984 4.266 1.00 0.54 N ATOM 262 CA ILE A 19 3.943 -0.154 5.377 1.00 0.58 C ATOM 263 C ILE A 19 4.368 -0.854 6.664 1.00 0.63 C ATOM 264 O ILE A 19 5.303 -0.408 7.319 1.00 0.73 O ATOM 265 CB ILE A 19 2.437 0.087 5.322 1.00 0.56 C ATOM 266 CG1 ILE A 19 2.048 0.503 3.897 1.00 0.56 C ATOM 267 CG2 ILE A 19 2.104 1.125 6.402 1.00 0.62 C ATOM 268 CD1 ILE A 19 0.766 1.290 3.835 1.00 0.63 C ATOM 0 H ILE A 19 3.731 -1.754 4.076 1.00 0.54 H new ATOM 0 HA ILE A 19 4.408 0.830 5.329 1.00 0.58 H new ATOM 0 HB ILE A 19 1.852 -0.808 5.536 1.00 0.56 H new ATOM 0 HG12 ILE A 19 2.853 1.099 3.467 1.00 0.56 H new ATOM 0 HG13 ILE A 19 1.948 -0.390 3.280 1.00 0.56 H new ATOM 0 HG21 ILE A 19 1.033 1.326 6.396 1.00 0.62 H new ATOM 0 HG22 ILE A 19 2.395 0.740 7.379 1.00 0.62 H new ATOM 0 HG23 ILE A 19 2.647 2.048 6.200 1.00 0.62 H new ATOM 0 HD11 ILE A 19 0.550 1.552 2.799 1.00 0.63 H new ATOM 0 HD12 ILE A 19 -0.050 0.688 4.235 1.00 0.63 H new ATOM 0 HD13 ILE A 19 0.869 2.200 4.426 1.00 0.63 H new ATOM 280 N CYS A 20 3.743 -1.997 6.981 1.00 0.64 N ATOM 281 CA CYS A 20 4.071 -2.809 8.148 1.00 0.72 C ATOM 282 C CYS A 20 5.384 -3.591 7.935 1.00 0.68 C ATOM 283 O CYS A 20 5.672 -4.490 8.720 1.00 0.81 O ATOM 284 CB CYS A 20 2.950 -3.841 8.431 1.00 0.90 C ATOM 285 SG CYS A 20 1.246 -3.334 8.015 1.00 1.82 S ATOM 0 H CYS A 20 2.984 -2.384 6.421 1.00 0.64 H new ATOM 0 HA CYS A 20 4.179 -2.123 8.988 1.00 0.72 H new ATOM 0 HB2 CYS A 20 3.179 -4.752 7.878 1.00 0.90 H new ATOM 0 HB3 CYS A 20 2.981 -4.095 9.491 1.00 0.90 H new ATOM 290 N LEU A 21 6.143 -3.305 6.868 1.00 0.66 N ATOM 291 CA LEU A 21 7.374 -3.976 6.457 1.00 0.77 C ATOM 292 C LEU A 21 7.307 -5.494 6.649 1.00 0.82 C ATOM 293 O LEU A 21 8.071 -6.068 7.422 1.00 0.98 O ATOM 294 CB LEU A 21 8.582 -3.356 7.179 1.00 0.94 C ATOM 295 CG LEU A 21 8.738 -1.856 6.873 1.00 1.17 C ATOM 296 CD1 LEU A 21 8.461 -1.010 8.118 1.00 1.77 C ATOM 297 CD2 LEU A 21 10.152 -1.551 6.373 1.00 1.53 C ATOM 0 H LEU A 21 5.893 -2.549 6.231 1.00 0.66 H new ATOM 0 HA LEU A 21 7.497 -3.819 5.385 1.00 0.77 H new ATOM 0 HB2 LEU A 21 8.471 -3.496 8.254 1.00 0.94 H new ATOM 0 HB3 LEU A 21 9.489 -3.882 6.882 1.00 0.94 H new ATOM 0 HG LEU A 21 8.013 -1.604 6.099 1.00 1.17 H new ATOM 0 HD11 LEU A 21 8.578 0.046 7.874 1.00 1.77 H new ATOM 0 HD12 LEU A 21 7.443 -1.192 8.462 1.00 1.77 H new ATOM 0 HD13 LEU A 21 9.164 -1.281 8.906 1.00 1.77 H new ATOM 0 HD21 LEU A 21 10.241 -0.485 6.162 1.00 1.53 H new ATOM 0 HD22 LEU A 21 10.877 -1.832 7.137 1.00 1.53 H new ATOM 0 HD23 LEU A 21 10.346 -2.118 5.463 1.00 1.53 H new ATOM 309 N SER A 22 6.402 -6.163 5.934 1.00 0.73 N ATOM 310 CA SER A 22 6.267 -7.609 6.023 1.00 0.81 C ATOM 311 C SER A 22 5.588 -8.152 4.776 1.00 0.68 C ATOM 312 O SER A 22 4.732 -7.505 4.180 1.00 0.68 O ATOM 313 CB SER A 22 5.488 -8.002 7.285 1.00 0.97 C ATOM 314 OG SER A 22 4.605 -6.977 7.704 1.00 1.14 O ATOM 0 H SER A 22 5.751 -5.720 5.285 1.00 0.73 H new ATOM 0 HA SER A 22 7.262 -8.048 6.091 1.00 0.81 H new ATOM 0 HB2 SER A 22 4.921 -8.913 7.092 1.00 0.97 H new ATOM 0 HB3 SER A 22 6.189 -8.227 8.088 1.00 0.97 H new ATOM 0 HG SER A 22 5.121 -6.233 8.079 1.00 1.14 H new ATOM 320 N ILE A 23 5.996 -9.350 4.365 1.00 0.72 N ATOM 321 CA ILE A 23 5.343 -10.050 3.284 1.00 0.66 C ATOM 322 C ILE A 23 4.013 -10.587 3.803 1.00 0.64 C ATOM 323 O ILE A 23 3.809 -10.699 5.011 1.00 0.72 O ATOM 324 CB ILE A 23 6.290 -11.125 2.725 1.00 0.76 C ATOM 325 CG1 ILE A 23 7.519 -10.448 2.091 1.00 1.07 C ATOM 326 CG2 ILE A 23 5.609 -11.944 1.622 1.00 0.81 C ATOM 327 CD1 ILE A 23 8.662 -10.018 3.014 1.00 1.05 C ATOM 0 H ILE A 23 6.784 -9.852 4.774 1.00 0.72 H new ATOM 0 HA ILE A 23 5.116 -9.394 2.444 1.00 0.66 H new ATOM 0 HB ILE A 23 6.572 -11.776 3.552 1.00 0.76 H new ATOM 0 HG12 ILE A 23 7.930 -11.131 1.348 1.00 1.07 H new ATOM 0 HG13 ILE A 23 7.173 -9.564 1.555 1.00 1.07 H new ATOM 0 HG21 ILE A 23 6.303 -12.696 1.246 1.00 0.81 H new ATOM 0 HG22 ILE A 23 4.725 -12.436 2.027 1.00 0.81 H new ATOM 0 HG23 ILE A 23 5.314 -11.283 0.807 1.00 0.81 H new ATOM 0 HD11 ILE A 23 9.454 -9.558 2.423 1.00 1.05 H new ATOM 0 HD12 ILE A 23 8.290 -9.299 3.744 1.00 1.05 H new ATOM 0 HD13 ILE A 23 9.058 -10.891 3.534 1.00 1.05 H new ATOM 339 N LEU A 24 3.093 -10.837 2.876 1.00 0.61 N ATOM 340 CA LEU A 24 1.734 -11.231 3.179 1.00 0.66 C ATOM 341 C LEU A 24 1.667 -12.751 3.186 1.00 0.85 C ATOM 342 O LEU A 24 1.780 -13.347 4.250 1.00 1.02 O ATOM 343 CB LEU A 24 0.802 -10.567 2.162 1.00 0.81 C ATOM 344 CG LEU A 24 0.927 -9.042 2.201 1.00 0.86 C ATOM 345 CD1 LEU A 24 0.139 -8.500 1.023 1.00 1.31 C ATOM 346 CD2 LEU A 24 0.386 -8.473 3.507 1.00 1.01 C ATOM 0 H LEU A 24 3.282 -10.768 1.876 1.00 0.61 H new ATOM 0 HA LEU A 24 1.409 -10.899 4.165 1.00 0.66 H new ATOM 0 HB2 LEU A 24 1.038 -10.927 1.161 1.00 0.81 H new ATOM 0 HB3 LEU A 24 -0.229 -10.854 2.369 1.00 0.81 H new ATOM 0 HG LEU A 24 1.976 -8.751 2.140 1.00 0.86 H new ATOM 0 HD11 LEU A 24 0.202 -7.412 1.013 1.00 1.31 H new ATOM 0 HD12 LEU A 24 0.553 -8.896 0.095 1.00 1.31 H new ATOM 0 HD13 LEU A 24 -0.904 -8.802 1.113 1.00 1.31 H new ATOM 0 HD21 LEU A 24 0.490 -7.388 3.502 1.00 1.01 H new ATOM 0 HD22 LEU A 24 -0.667 -8.736 3.610 1.00 1.01 H new ATOM 0 HD23 LEU A 24 0.947 -8.887 4.345 1.00 1.01 H new ATOM 358 N GLU A 25 1.527 -13.365 2.006 1.00 1.02 N ATOM 359 CA GLU A 25 1.649 -14.811 1.766 1.00 1.37 C ATOM 360 C GLU A 25 0.726 -15.655 2.651 1.00 1.88 C ATOM 361 O GLU A 25 0.928 -16.853 2.847 1.00 2.57 O ATOM 362 CB GLU A 25 3.123 -15.269 1.753 1.00 1.44 C ATOM 363 CG GLU A 25 3.855 -15.224 3.104 1.00 1.82 C ATOM 364 CD GLU A 25 5.284 -15.764 2.992 1.00 1.86 C ATOM 365 OE1 GLU A 25 5.448 -17.003 3.052 1.00 2.95 O ATOM 366 OE2 GLU A 25 6.204 -14.924 2.859 1.00 2.29 O ATOM 0 H GLU A 25 1.316 -12.847 1.153 1.00 1.02 H new ATOM 0 HA GLU A 25 1.278 -14.998 0.758 1.00 1.37 H new ATOM 0 HB2 GLU A 25 3.162 -16.291 1.375 1.00 1.44 H new ATOM 0 HB3 GLU A 25 3.670 -14.646 1.045 1.00 1.44 H new ATOM 0 HG2 GLU A 25 3.881 -14.197 3.470 1.00 1.82 H new ATOM 0 HG3 GLU A 25 3.301 -15.810 3.838 1.00 1.82 H new ATOM 373 N GLU A 26 -0.319 -15.014 3.161 1.00 2.31 N ATOM 374 CA GLU A 26 -1.361 -15.562 3.999 1.00 2.91 C ATOM 375 C GLU A 26 -2.471 -14.519 3.962 1.00 2.41 C ATOM 376 O GLU A 26 -2.173 -13.328 4.048 1.00 2.94 O ATOM 377 CB GLU A 26 -0.822 -15.770 5.423 1.00 4.20 C ATOM 378 CG GLU A 26 -1.811 -16.469 6.365 1.00 5.41 C ATOM 379 CD GLU A 26 -2.863 -15.535 6.967 1.00 6.37 C ATOM 380 OE1 GLU A 26 -2.485 -14.718 7.835 1.00 7.50 O ATOM 381 OE2 GLU A 26 -4.043 -15.686 6.579 1.00 6.69 O ATOM 0 H GLU A 26 -0.464 -14.021 2.981 1.00 2.31 H new ATOM 0 HA GLU A 26 -1.720 -16.534 3.661 1.00 2.91 H new ATOM 0 HB2 GLU A 26 0.094 -16.358 5.372 1.00 4.20 H new ATOM 0 HB3 GLU A 26 -0.556 -14.801 5.845 1.00 4.20 H new ATOM 0 HG2 GLU A 26 -2.317 -17.265 5.818 1.00 5.41 H new ATOM 0 HG3 GLU A 26 -1.254 -16.942 7.174 1.00 5.41 H new ATOM 388 N GLY A 27 -3.715 -14.970 3.792 1.00 2.44 N ATOM 389 CA GLY A 27 -4.917 -14.146 3.792 1.00 2.53 C ATOM 390 C GLY A 27 -4.704 -12.801 3.107 1.00 1.67 C ATOM 391 O GLY A 27 -5.033 -11.757 3.668 1.00 2.40 O ATOM 0 H GLY A 27 -3.917 -15.959 3.645 1.00 2.44 H new ATOM 0 HA2 GLY A 27 -5.721 -14.683 3.289 1.00 2.53 H new ATOM 0 HA3 GLY A 27 -5.239 -13.979 4.820 1.00 2.53 H new ATOM 395 N GLU A 28 -4.117 -12.818 1.910 1.00 1.59 N ATOM 396 CA GLU A 28 -3.713 -11.602 1.246 1.00 2.47 C ATOM 397 C GLU A 28 -4.952 -10.791 0.876 1.00 1.87 C ATOM 398 O GLU A 28 -5.743 -11.143 0.004 1.00 1.96 O ATOM 399 CB GLU A 28 -2.852 -11.870 0.016 1.00 4.05 C ATOM 400 CG GLU A 28 -1.626 -12.758 0.305 1.00 5.11 C ATOM 401 CD GLU A 28 -1.824 -14.263 0.068 1.00 6.96 C ATOM 402 OE1 GLU A 28 -2.975 -14.745 0.166 1.00 7.76 O ATOM 403 OE2 GLU A 28 -0.792 -14.941 -0.126 1.00 8.11 O ATOM 0 H GLU A 28 -3.915 -13.670 1.387 1.00 1.59 H new ATOM 0 HA GLU A 28 -3.094 -11.030 1.937 1.00 2.47 H new ATOM 0 HB2 GLU A 28 -3.464 -12.347 -0.749 1.00 4.05 H new ATOM 0 HB3 GLU A 28 -2.513 -10.919 -0.395 1.00 4.05 H new ATOM 0 HG2 GLU A 28 -0.798 -12.417 -0.317 1.00 5.11 H new ATOM 0 HG3 GLU A 28 -1.328 -12.608 1.343 1.00 5.11 H new ATOM 410 N ASP A 29 -5.089 -9.672 1.568 1.00 1.77 N ATOM 411 CA ASP A 29 -6.181 -8.726 1.439 1.00 1.21 C ATOM 412 C ASP A 29 -5.527 -7.355 1.413 1.00 0.77 C ATOM 413 O ASP A 29 -5.200 -6.757 2.443 1.00 0.96 O ATOM 414 CB ASP A 29 -7.202 -8.883 2.576 1.00 1.63 C ATOM 415 CG ASP A 29 -8.633 -8.882 2.048 1.00 2.11 C ATOM 416 OD1 ASP A 29 -9.424 -9.737 2.504 1.00 2.87 O ATOM 417 OD2 ASP A 29 -8.928 -7.993 1.217 1.00 3.00 O ATOM 0 H ASP A 29 -4.406 -9.386 2.270 1.00 1.77 H new ATOM 0 HA ASP A 29 -6.761 -8.892 0.531 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -7.011 -9.813 3.111 1.00 1.63 H new ATOM 0 HB3 ASP A 29 -7.077 -8.071 3.293 1.00 1.63 H new ATOM 422 N VAL A 30 -5.233 -6.900 0.204 1.00 0.78 N ATOM 423 CA VAL A 30 -4.503 -5.667 -0.027 1.00 0.78 C ATOM 424 C VAL A 30 -5.434 -4.679 -0.699 1.00 0.69 C ATOM 425 O VAL A 30 -6.497 -5.057 -1.188 1.00 0.87 O ATOM 426 CB VAL A 30 -3.232 -5.912 -0.852 1.00 1.28 C ATOM 427 CG1 VAL A 30 -2.380 -7.012 -0.222 1.00 1.45 C ATOM 428 CG2 VAL A 30 -3.540 -6.283 -2.304 1.00 1.79 C ATOM 0 H VAL A 30 -5.499 -7.384 -0.653 1.00 0.78 H new ATOM 0 HA VAL A 30 -4.168 -5.254 0.924 1.00 0.78 H new ATOM 0 HB VAL A 30 -2.680 -4.972 -0.853 1.00 1.28 H new ATOM 0 HG11 VAL A 30 -1.485 -7.168 -0.824 1.00 1.45 H new ATOM 0 HG12 VAL A 30 -2.092 -6.716 0.787 1.00 1.45 H new ATOM 0 HG13 VAL A 30 -2.954 -7.937 -0.179 1.00 1.45 H new ATOM 0 HG21 VAL A 30 -2.607 -6.446 -2.844 1.00 1.79 H new ATOM 0 HG22 VAL A 30 -4.137 -7.195 -2.328 1.00 1.79 H new ATOM 0 HG23 VAL A 30 -4.096 -5.473 -2.776 1.00 1.79 H new ATOM 438 N ARG A 31 -5.039 -3.408 -0.774 1.00 0.68 N ATOM 439 CA ARG A 31 -5.849 -2.463 -1.516 1.00 0.63 C ATOM 440 C ARG A 31 -4.906 -1.589 -2.312 1.00 0.66 C ATOM 441 O ARG A 31 -4.155 -0.799 -1.749 1.00 1.12 O ATOM 442 CB ARG A 31 -6.779 -1.706 -0.555 1.00 0.79 C ATOM 443 CG ARG A 31 -8.026 -1.209 -1.299 1.00 1.16 C ATOM 444 CD ARG A 31 -9.215 -1.067 -0.341 1.00 1.87 C ATOM 445 NE ARG A 31 -10.481 -0.973 -1.083 1.00 2.65 N ATOM 446 CZ ARG A 31 -11.700 -0.992 -0.530 1.00 3.44 C ATOM 447 NH1 ARG A 31 -12.785 -1.034 -1.306 1.00 4.37 N ATOM 448 NH2 ARG A 31 -11.833 -0.974 0.797 1.00 3.97 N ATOM 0 H ARG A 31 -4.196 -3.026 -0.346 1.00 0.68 H new ATOM 0 HA ARG A 31 -6.519 -2.949 -2.225 1.00 0.63 H new ATOM 0 HB2 ARG A 31 -7.074 -2.359 0.266 1.00 0.79 H new ATOM 0 HB3 ARG A 31 -6.249 -0.861 -0.116 1.00 0.79 H new ATOM 0 HG2 ARG A 31 -7.815 -0.248 -1.768 1.00 1.16 H new ATOM 0 HG3 ARG A 31 -8.279 -1.906 -2.098 1.00 1.16 H new ATOM 0 HD2 ARG A 31 -9.247 -1.923 0.334 1.00 1.87 H new ATOM 0 HD3 ARG A 31 -9.085 -0.179 0.277 1.00 1.87 H new ATOM 0 HE ARG A 31 -10.426 -0.887 -2.098 1.00 2.65 H new ATOM 0 HH11 ARG A 31 -12.686 -1.052 -2.321 1.00 4.37 H new ATOM 0 HH12 ARG A 31 -13.714 -1.048 -0.884 1.00 4.37 H new ATOM 0 HH21 ARG A 31 -11.005 -0.946 1.392 1.00 3.97 H new ATOM 0 HH22 ARG A 31 -12.763 -0.988 1.217 1.00 3.97 H new ATOM 462 N ARG A 32 -4.878 -1.797 -3.628 1.00 0.55 N ATOM 463 CA ARG A 32 -4.041 -0.981 -4.487 1.00 0.55 C ATOM 464 C ARG A 32 -4.606 0.425 -4.504 1.00 0.55 C ATOM 465 O ARG A 32 -5.778 0.633 -4.818 1.00 0.89 O ATOM 466 CB ARG A 32 -3.911 -1.578 -5.892 1.00 0.63 C ATOM 467 CG ARG A 32 -5.245 -1.679 -6.637 1.00 1.08 C ATOM 468 CD ARG A 32 -5.480 -0.512 -7.604 1.00 1.01 C ATOM 469 NE ARG A 32 -6.910 -0.358 -7.914 1.00 1.85 N ATOM 470 CZ ARG A 32 -7.633 -1.136 -8.732 1.00 1.85 C ATOM 471 NH1 ARG A 32 -8.934 -0.897 -8.901 1.00 2.67 N ATOM 472 NH2 ARG A 32 -7.059 -2.154 -9.373 1.00 2.71 N ATOM 0 H ARG A 32 -5.419 -2.514 -4.111 1.00 0.55 H new ATOM 0 HA ARG A 32 -3.025 -0.952 -4.092 1.00 0.55 H new ATOM 0 HB2 ARG A 32 -3.223 -0.967 -6.476 1.00 0.63 H new ATOM 0 HB3 ARG A 32 -3.469 -2.572 -5.817 1.00 0.63 H new ATOM 0 HG2 ARG A 32 -5.275 -2.616 -7.193 1.00 1.08 H new ATOM 0 HG3 ARG A 32 -6.058 -1.713 -5.912 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -5.099 0.410 -7.165 1.00 1.01 H new ATOM 0 HD3 ARG A 32 -4.922 -0.681 -8.525 1.00 1.01 H new ATOM 0 HE ARG A 32 -7.398 0.415 -7.463 1.00 1.85 H new ATOM 0 HH11 ARG A 32 -9.379 -0.123 -8.408 1.00 2.67 H new ATOM 0 HH12 ARG A 32 -9.485 -1.489 -9.523 1.00 2.67 H new ATOM 0 HH21 ARG A 32 -6.065 -2.344 -9.242 1.00 2.71 H new ATOM 0 HH22 ARG A 32 -7.613 -2.743 -9.994 1.00 2.71 H new ATOM 486 N LEU A 33 -3.759 1.384 -4.170 1.00 0.51 N ATOM 487 CA LEU A 33 -4.029 2.784 -4.291 1.00 0.56 C ATOM 488 C LEU A 33 -4.154 3.133 -5.768 1.00 0.61 C ATOM 489 O LEU A 33 -3.553 2.469 -6.617 1.00 0.71 O ATOM 490 CB LEU A 33 -2.857 3.545 -3.658 1.00 0.67 C ATOM 491 CG LEU A 33 -2.801 3.453 -2.122 1.00 0.76 C ATOM 492 CD1 LEU A 33 -4.197 3.536 -1.492 1.00 2.56 C ATOM 493 CD2 LEU A 33 -2.103 2.190 -1.613 1.00 1.56 C ATOM 0 H LEU A 33 -2.831 1.188 -3.794 1.00 0.51 H new ATOM 0 HA LEU A 33 -4.957 3.054 -3.787 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -1.924 3.159 -4.068 1.00 0.67 H new ATOM 0 HB3 LEU A 33 -2.922 4.594 -3.946 1.00 0.67 H new ATOM 0 HG LEU A 33 -2.208 4.314 -1.814 1.00 0.76 H new ATOM 0 HD11 LEU A 33 -4.111 3.467 -0.408 1.00 2.56 H new ATOM 0 HD12 LEU A 33 -4.661 4.485 -1.760 1.00 2.56 H new ATOM 0 HD13 LEU A 33 -4.812 2.715 -1.860 1.00 2.56 H new ATOM 0 HD21 LEU A 33 -2.099 2.190 -0.523 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -2.635 1.310 -1.974 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -1.077 2.169 -1.979 1.00 1.56 H new ATOM 505 N PRO A 34 -4.876 4.215 -6.081 1.00 0.62 N ATOM 506 CA PRO A 34 -5.068 4.665 -7.447 1.00 0.69 C ATOM 507 C PRO A 34 -3.755 5.103 -8.108 1.00 0.72 C ATOM 508 O PRO A 34 -3.713 5.229 -9.328 1.00 0.86 O ATOM 509 CB PRO A 34 -6.099 5.798 -7.360 1.00 0.77 C ATOM 510 CG PRO A 34 -5.944 6.326 -5.935 1.00 0.74 C ATOM 511 CD PRO A 34 -5.594 5.067 -5.146 1.00 0.64 C ATOM 0 HA PRO A 34 -5.425 3.859 -8.088 1.00 0.69 H new ATOM 0 HB2 PRO A 34 -5.902 6.576 -8.098 1.00 0.77 H new ATOM 0 HB3 PRO A 34 -7.110 5.434 -7.543 1.00 0.77 H new ATOM 0 HG2 PRO A 34 -5.159 7.079 -5.865 1.00 0.74 H new ATOM 0 HG3 PRO A 34 -6.862 6.789 -5.573 1.00 0.74 H new ATOM 0 HD2 PRO A 34 -4.979 5.305 -4.278 1.00 0.64 H new ATOM 0 HD3 PRO A 34 -6.492 4.574 -4.774 1.00 0.64 H new ATOM 519 N CYS A 35 -2.664 5.286 -7.352 1.00 0.63 N ATOM 520 CA CYS A 35 -1.384 5.710 -7.902 1.00 0.70 C ATOM 521 C CYS A 35 -0.512 4.482 -8.210 1.00 0.72 C ATOM 522 O CYS A 35 0.713 4.527 -8.006 1.00 0.79 O ATOM 523 CB CYS A 35 -0.731 6.648 -6.870 1.00 0.73 C ATOM 524 SG CYS A 35 0.111 5.752 -5.525 1.00 1.20 S ATOM 0 H CYS A 35 -2.651 5.142 -6.342 1.00 0.63 H new ATOM 0 HA CYS A 35 -1.509 6.244 -8.844 1.00 0.70 H new ATOM 0 HB2 CYS A 35 -0.012 7.292 -7.376 1.00 0.73 H new ATOM 0 HB3 CYS A 35 -1.495 7.298 -6.443 1.00 0.73 H new ATOM 529 N MET A 36 -1.152 3.389 -8.646 1.00 0.79 N ATOM 530 CA MET A 36 -0.595 2.059 -8.842 1.00 0.83 C ATOM 531 C MET A 36 0.459 1.716 -7.799 1.00 0.80 C ATOM 532 O MET A 36 1.655 1.673 -8.077 1.00 0.87 O ATOM 533 CB MET A 36 -0.070 1.883 -10.273 1.00 0.98 C ATOM 534 CG MET A 36 -1.215 1.747 -11.280 1.00 1.21 C ATOM 535 SD MET A 36 -2.246 0.272 -11.036 1.00 2.72 S ATOM 536 CE MET A 36 -3.138 0.266 -12.611 1.00 3.22 C ATOM 0 H MET A 36 -2.143 3.421 -8.886 1.00 0.79 H new ATOM 0 HA MET A 36 -1.406 1.345 -8.702 1.00 0.83 H new ATOM 0 HB2 MET A 36 0.551 2.737 -10.541 1.00 0.98 H new ATOM 0 HB3 MET A 36 0.565 0.999 -10.322 1.00 0.98 H new ATOM 0 HG2 MET A 36 -1.847 2.633 -11.217 1.00 1.21 H new ATOM 0 HG3 MET A 36 -0.798 1.723 -12.287 1.00 1.21 H new ATOM 0 HE1 MET A 36 -3.824 -0.581 -12.638 1.00 3.22 H new ATOM 0 HE2 MET A 36 -3.702 1.193 -12.713 1.00 3.22 H new ATOM 0 HE3 MET A 36 -2.426 0.182 -13.432 1.00 3.22 H new ATOM 546 N HIS A 37 0.002 1.437 -6.583 1.00 0.75 N ATOM 547 CA HIS A 37 0.859 0.926 -5.531 1.00 0.74 C ATOM 548 C HIS A 37 0.017 -0.031 -4.700 1.00 0.84 C ATOM 549 O HIS A 37 -1.024 0.373 -4.190 1.00 1.36 O ATOM 550 CB HIS A 37 1.410 2.098 -4.708 1.00 0.70 C ATOM 551 CG HIS A 37 2.767 2.541 -5.195 1.00 0.84 C ATOM 552 ND1 HIS A 37 3.068 3.647 -6.000 1.00 0.81 N ATOM 553 CD2 HIS A 37 3.921 1.848 -4.953 1.00 1.14 C ATOM 554 CE1 HIS A 37 4.386 3.585 -6.225 1.00 1.09 C ATOM 555 NE2 HIS A 37 4.930 2.521 -5.606 1.00 1.30 N ATOM 0 H HIS A 37 -0.971 1.560 -6.304 1.00 0.75 H new ATOM 0 HA HIS A 37 1.723 0.390 -5.924 1.00 0.74 H new ATOM 0 HB2 HIS A 37 0.715 2.936 -4.760 1.00 0.70 H new ATOM 0 HB3 HIS A 37 1.479 1.805 -3.660 1.00 0.70 H new ATOM 0 HD2 HIS A 37 4.022 0.948 -4.364 1.00 1.14 H new ATOM 0 HE1 HIS A 37 4.939 4.294 -6.823 1.00 1.09 H new ATOM 0 HE2 HIS A 37 5.916 2.259 -5.618 1.00 1.30 H new ATOM 563 N LEU A 38 0.426 -1.299 -4.593 1.00 0.69 N ATOM 564 CA LEU A 38 -0.281 -2.287 -3.788 1.00 0.71 C ATOM 565 C LEU A 38 0.488 -2.471 -2.487 1.00 0.75 C ATOM 566 O LEU A 38 1.711 -2.539 -2.510 1.00 1.03 O ATOM 567 CB LEU A 38 -0.576 -3.570 -4.582 1.00 1.18 C ATOM 568 CG LEU A 38 0.186 -4.820 -4.126 1.00 0.97 C ATOM 569 CD1 LEU A 38 -0.506 -6.039 -4.721 1.00 1.83 C ATOM 570 CD2 LEU A 38 1.633 -4.742 -4.600 1.00 2.07 C ATOM 0 H LEU A 38 1.255 -1.664 -5.062 1.00 0.69 H new ATOM 0 HA LEU A 38 -1.279 -1.940 -3.520 1.00 0.71 H new ATOM 0 HB2 LEU A 38 -1.645 -3.776 -4.522 1.00 1.18 H new ATOM 0 HB3 LEU A 38 -0.345 -3.388 -5.632 1.00 1.18 H new ATOM 0 HG LEU A 38 0.189 -4.892 -3.038 1.00 0.97 H new ATOM 0 HD11 LEU A 38 0.018 -6.943 -4.411 1.00 1.83 H new ATOM 0 HD12 LEU A 38 -1.537 -6.079 -4.370 1.00 1.83 H new ATOM 0 HD13 LEU A 38 -0.495 -5.969 -5.809 1.00 1.83 H new ATOM 0 HD21 LEU A 38 2.171 -5.632 -4.274 1.00 2.07 H new ATOM 0 HD22 LEU A 38 1.657 -4.682 -5.688 1.00 2.07 H new ATOM 0 HD23 LEU A 38 2.107 -3.856 -4.177 1.00 2.07 H new ATOM 582 N PHE A 39 -0.216 -2.517 -1.354 1.00 0.70 N ATOM 583 CA PHE A 39 0.439 -2.602 -0.060 1.00 0.95 C ATOM 584 C PHE A 39 -0.318 -3.551 0.868 1.00 1.19 C ATOM 585 O PHE A 39 0.098 -4.685 1.080 1.00 2.65 O ATOM 586 CB PHE A 39 0.593 -1.198 0.556 1.00 1.01 C ATOM 587 CG PHE A 39 1.455 -0.172 -0.171 1.00 0.96 C ATOM 588 CD1 PHE A 39 2.692 -0.525 -0.739 1.00 2.36 C ATOM 589 CD2 PHE A 39 1.042 1.175 -0.234 1.00 2.21 C ATOM 590 CE1 PHE A 39 3.482 0.439 -1.389 1.00 2.30 C ATOM 591 CE2 PHE A 39 1.840 2.146 -0.863 1.00 2.46 C ATOM 592 CZ PHE A 39 3.064 1.778 -1.443 1.00 1.34 C ATOM 0 H PHE A 39 -1.235 -2.497 -1.313 1.00 0.70 H new ATOM 0 HA PHE A 39 1.439 -3.014 -0.198 1.00 0.95 H new ATOM 0 HB2 PHE A 39 -0.405 -0.774 0.666 1.00 1.01 H new ATOM 0 HB3 PHE A 39 1.000 -1.320 1.560 1.00 1.01 H new ATOM 0 HD1 PHE A 39 3.038 -1.546 -0.675 1.00 2.36 H new ATOM 0 HD2 PHE A 39 0.100 1.464 0.207 1.00 2.21 H new ATOM 0 HE1 PHE A 39 4.415 0.148 -1.849 1.00 2.30 H new ATOM 0 HE2 PHE A 39 1.512 3.174 -0.900 1.00 2.46 H new ATOM 0 HZ PHE A 39 3.680 2.520 -1.928 1.00 1.34 H new ATOM 602 N HIS A 40 -1.425 -3.094 1.447 1.00 0.83 N ATOM 603 CA HIS A 40 -2.261 -3.877 2.349 1.00 0.76 C ATOM 604 C HIS A 40 -3.648 -3.245 2.310 1.00 0.93 C ATOM 605 O HIS A 40 -3.828 -2.235 1.635 1.00 1.75 O ATOM 606 CB HIS A 40 -1.679 -3.829 3.773 1.00 0.97 C ATOM 607 CG HIS A 40 -1.670 -5.134 4.540 1.00 0.76 C ATOM 608 ND1 HIS A 40 -0.754 -5.445 5.545 1.00 0.79 N ATOM 609 CD2 HIS A 40 -2.526 -6.189 4.388 1.00 0.91 C ATOM 610 CE1 HIS A 40 -1.079 -6.668 5.984 1.00 1.09 C ATOM 611 NE2 HIS A 40 -2.145 -7.140 5.310 1.00 1.16 N ATOM 0 H HIS A 40 -1.773 -2.147 1.298 1.00 0.83 H new ATOM 0 HA HIS A 40 -2.306 -4.924 2.050 1.00 0.76 H new ATOM 0 HB2 HIS A 40 -0.655 -3.462 3.711 1.00 0.97 H new ATOM 0 HB3 HIS A 40 -2.246 -3.098 4.349 1.00 0.97 H new ATOM 0 HD2 HIS A 40 -3.341 -6.263 3.683 1.00 0.91 H new ATOM 0 HE1 HIS A 40 -0.560 -7.200 6.767 1.00 1.09 H new ATOM 0 HE2 HIS A 40 -2.593 -8.045 5.456 1.00 1.16 H new ATOM 619 N GLN A 41 -4.631 -3.806 3.008 1.00 0.59 N ATOM 620 CA GLN A 41 -5.892 -3.119 3.212 1.00 0.70 C ATOM 621 C GLN A 41 -5.738 -2.226 4.448 1.00 0.81 C ATOM 622 O GLN A 41 -5.695 -1.005 4.327 1.00 1.20 O ATOM 623 CB GLN A 41 -7.013 -4.167 3.287 1.00 0.79 C ATOM 624 CG GLN A 41 -8.405 -3.550 3.450 1.00 1.10 C ATOM 625 CD GLN A 41 -8.882 -3.638 4.894 1.00 1.80 C ATOM 626 OE1 GLN A 41 -8.787 -2.681 5.648 1.00 2.89 O ATOM 627 NE2 GLN A 41 -9.372 -4.799 5.308 1.00 2.67 N ATOM 0 H GLN A 41 -4.575 -4.729 3.438 1.00 0.59 H new ATOM 0 HA GLN A 41 -6.169 -2.459 2.389 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -6.995 -4.774 2.382 1.00 0.79 H new ATOM 0 HB3 GLN A 41 -6.819 -4.838 4.124 1.00 0.79 H new ATOM 0 HG2 GLN A 41 -8.382 -2.507 3.135 1.00 1.10 H new ATOM 0 HG3 GLN A 41 -9.112 -4.064 2.799 1.00 1.10 H new ATOM 0 HE21 GLN A 41 -9.441 -5.583 4.660 1.00 2.67 H new ATOM 0 HE22 GLN A 41 -9.679 -4.907 6.275 1.00 2.67 H new ATOM 636 N VAL A 42 -5.581 -2.829 5.628 1.00 0.85 N ATOM 637 CA VAL A 42 -5.532 -2.085 6.881 1.00 1.02 C ATOM 638 C VAL A 42 -4.351 -1.107 6.917 1.00 0.97 C ATOM 639 O VAL A 42 -4.558 0.063 7.214 1.00 1.21 O ATOM 640 CB VAL A 42 -5.541 -3.051 8.078 1.00 1.21 C ATOM 641 CG1 VAL A 42 -5.506 -2.295 9.412 1.00 1.39 C ATOM 642 CG2 VAL A 42 -6.813 -3.912 8.059 1.00 1.37 C ATOM 0 H VAL A 42 -5.485 -3.838 5.738 1.00 0.85 H new ATOM 0 HA VAL A 42 -6.429 -1.470 6.952 1.00 1.02 H new ATOM 0 HB VAL A 42 -4.651 -3.675 7.990 1.00 1.21 H new ATOM 0 HG11 VAL A 42 -5.513 -3.009 10.235 1.00 1.39 H new ATOM 0 HG12 VAL A 42 -4.600 -1.691 9.464 1.00 1.39 H new ATOM 0 HG13 VAL A 42 -6.379 -1.647 9.486 1.00 1.39 H new ATOM 0 HG21 VAL A 42 -6.806 -4.591 8.912 1.00 1.37 H new ATOM 0 HG22 VAL A 42 -7.690 -3.267 8.116 1.00 1.37 H new ATOM 0 HG23 VAL A 42 -6.847 -4.490 7.136 1.00 1.37 H new ATOM 652 N CYS A 43 -3.115 -1.546 6.633 1.00 0.85 N ATOM 653 CA CYS A 43 -1.950 -0.684 6.829 1.00 0.94 C ATOM 654 C CYS A 43 -2.061 0.584 5.976 1.00 0.68 C ATOM 655 O CYS A 43 -1.621 1.657 6.383 1.00 0.64 O ATOM 656 CB CYS A 43 -0.664 -1.397 6.408 1.00 1.13 C ATOM 657 SG CYS A 43 -0.367 -2.943 7.298 1.00 1.53 S ATOM 0 H CYS A 43 -2.903 -2.477 6.273 1.00 0.85 H new ATOM 0 HA CYS A 43 -1.919 -0.434 7.889 1.00 0.94 H new ATOM 0 HB2 CYS A 43 -0.708 -1.606 5.339 1.00 1.13 H new ATOM 0 HB3 CYS A 43 0.181 -0.728 6.568 1.00 1.13 H new ATOM 662 N VAL A 44 -2.569 0.446 4.750 1.00 0.57 N ATOM 663 CA VAL A 44 -2.822 1.583 3.881 1.00 0.53 C ATOM 664 C VAL A 44 -3.666 2.607 4.630 1.00 0.64 C ATOM 665 O VAL A 44 -3.266 3.767 4.735 1.00 0.64 O ATOM 666 CB VAL A 44 -3.489 1.112 2.582 1.00 0.60 C ATOM 667 CG1 VAL A 44 -4.049 2.265 1.749 1.00 1.90 C ATOM 668 CG2 VAL A 44 -2.429 0.394 1.753 1.00 1.97 C ATOM 0 H VAL A 44 -2.814 -0.455 4.339 1.00 0.57 H new ATOM 0 HA VAL A 44 -1.884 2.063 3.601 1.00 0.53 H new ATOM 0 HB VAL A 44 -4.325 0.465 2.847 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -4.508 1.870 0.843 1.00 1.90 H new ATOM 0 HG12 VAL A 44 -4.798 2.804 2.330 1.00 1.90 H new ATOM 0 HG13 VAL A 44 -3.241 2.945 1.479 1.00 1.90 H new ATOM 0 HG21 VAL A 44 -2.871 0.045 0.820 1.00 1.97 H new ATOM 0 HG22 VAL A 44 -1.612 1.081 1.533 1.00 1.97 H new ATOM 0 HG23 VAL A 44 -2.045 -0.458 2.313 1.00 1.97 H new ATOM 678 N ASP A 45 -4.791 2.174 5.201 1.00 0.81 N ATOM 679 CA ASP A 45 -5.674 3.010 6.012 1.00 0.96 C ATOM 680 C ASP A 45 -5.129 3.153 7.443 1.00 1.02 C ATOM 681 O ASP A 45 -5.853 3.050 8.430 1.00 1.18 O ATOM 682 CB ASP A 45 -7.080 2.395 5.993 1.00 1.16 C ATOM 683 CG ASP A 45 -8.131 3.344 6.567 1.00 1.48 C ATOM 684 OD1 ASP A 45 -9.164 2.830 7.054 1.00 2.26 O ATOM 685 OD2 ASP A 45 -7.918 4.571 6.444 1.00 2.33 O ATOM 0 H ASP A 45 -5.119 1.213 5.110 1.00 0.81 H new ATOM 0 HA ASP A 45 -5.722 4.017 5.596 1.00 0.96 H new ATOM 0 HB2 ASP A 45 -7.348 2.135 4.969 1.00 1.16 H new ATOM 0 HB3 ASP A 45 -7.077 1.468 6.567 1.00 1.16 H new ATOM 690 N GLN A 46 -3.822 3.398 7.567 1.00 0.96 N ATOM 691 CA GLN A 46 -3.140 3.651 8.821 1.00 1.07 C ATOM 692 C GLN A 46 -1.994 4.622 8.530 1.00 1.00 C ATOM 693 O GLN A 46 -2.035 5.774 8.961 1.00 1.21 O ATOM 694 CB GLN A 46 -2.711 2.315 9.447 1.00 1.20 C ATOM 695 CG GLN A 46 -2.104 2.471 10.846 1.00 1.18 C ATOM 696 CD GLN A 46 -0.591 2.269 10.830 1.00 1.72 C ATOM 697 OE1 GLN A 46 0.142 3.012 10.190 1.00 2.97 O ATOM 698 NE2 GLN A 46 -0.091 1.251 11.520 1.00 2.27 N ATOM 0 H GLN A 46 -3.195 3.425 6.763 1.00 0.96 H new ATOM 0 HA GLN A 46 -3.781 4.122 9.566 1.00 1.07 H new ATOM 0 HB2 GLN A 46 -3.576 1.654 9.505 1.00 1.20 H new ATOM 0 HB3 GLN A 46 -1.984 1.832 8.794 1.00 1.20 H new ATOM 0 HG2 GLN A 46 -2.335 3.463 11.234 1.00 1.18 H new ATOM 0 HG3 GLN A 46 -2.560 1.749 11.523 1.00 1.18 H new ATOM 0 HE21 GLN A 46 -0.712 0.639 12.049 1.00 2.27 H new ATOM 0 HE22 GLN A 46 0.915 1.081 11.521 1.00 2.27 H new ATOM 707 N ARG A 47 -0.999 4.221 7.729 1.00 0.84 N ATOM 708 CA ARG A 47 0.079 5.133 7.354 1.00 0.85 C ATOM 709 C ARG A 47 -0.477 6.326 6.587 1.00 0.83 C ATOM 710 O ARG A 47 -0.102 7.461 6.868 1.00 1.04 O ATOM 711 CB ARG A 47 1.177 4.411 6.568 1.00 0.85 C ATOM 712 CG ARG A 47 2.255 5.372 6.027 1.00 1.00 C ATOM 713 CD ARG A 47 3.265 4.665 5.110 1.00 1.11 C ATOM 714 NE ARG A 47 4.556 4.407 5.769 1.00 1.77 N ATOM 715 CZ ARG A 47 5.518 3.607 5.290 1.00 2.40 C ATOM 716 NH1 ARG A 47 6.681 3.495 5.933 1.00 3.28 N ATOM 717 NH2 ARG A 47 5.320 2.919 4.165 1.00 2.82 N ATOM 0 H ARG A 47 -0.921 3.284 7.335 1.00 0.84 H new ATOM 0 HA ARG A 47 0.542 5.508 8.267 1.00 0.85 H new ATOM 0 HB2 ARG A 47 1.649 3.668 7.211 1.00 0.85 H new ATOM 0 HB3 ARG A 47 0.726 3.872 5.735 1.00 0.85 H new ATOM 0 HG2 ARG A 47 1.774 6.181 5.477 1.00 1.00 H new ATOM 0 HG3 ARG A 47 2.785 5.827 6.864 1.00 1.00 H new ATOM 0 HD2 ARG A 47 2.841 3.720 4.771 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.432 5.276 4.223 1.00 1.11 H new ATOM 0 HE ARG A 47 4.732 4.873 6.659 1.00 1.77 H new ATOM 0 HH11 ARG A 47 6.841 4.020 6.793 1.00 3.28 H new ATOM 0 HH12 ARG A 47 7.411 2.885 5.565 1.00 3.28 H new ATOM 0 HH21 ARG A 47 4.434 3.001 3.666 1.00 2.82 H new ATOM 0 HH22 ARG A 47 6.055 2.311 3.803 1.00 2.82 H new ATOM 731 N LEU A 48 -1.339 6.094 5.594 1.00 0.67 N ATOM 732 CA LEU A 48 -1.796 7.177 4.734 1.00 0.72 C ATOM 733 C LEU A 48 -2.957 7.934 5.392 1.00 0.85 C ATOM 734 O LEU A 48 -3.693 8.621 4.699 1.00 1.33 O ATOM 735 CB LEU A 48 -2.191 6.651 3.337 1.00 0.70 C ATOM 736 CG LEU A 48 -1.054 6.124 2.439 1.00 0.66 C ATOM 737 CD1 LEU A 48 0.031 7.178 2.204 1.00 0.83 C ATOM 738 CD2 LEU A 48 -0.391 4.846 2.959 1.00 0.66 C ATOM 0 H LEU A 48 -1.727 5.178 5.371 1.00 0.67 H new ATOM 0 HA LEU A 48 -0.970 7.875 4.599 1.00 0.72 H new ATOM 0 HB2 LEU A 48 -2.917 5.849 3.470 1.00 0.70 H new ATOM 0 HB3 LEU A 48 -2.699 7.455 2.804 1.00 0.70 H new ATOM 0 HG LEU A 48 -1.549 5.885 1.498 1.00 0.66 H new ATOM 0 HD11 LEU A 48 0.811 6.762 1.566 1.00 0.83 H new ATOM 0 HD12 LEU A 48 -0.408 8.050 1.719 1.00 0.83 H new ATOM 0 HD13 LEU A 48 0.464 7.474 3.160 1.00 0.83 H new ATOM 0 HD21 LEU A 48 0.398 4.540 2.272 1.00 0.66 H new ATOM 0 HD22 LEU A 48 0.038 5.033 3.944 1.00 0.66 H new ATOM 0 HD23 LEU A 48 -1.136 4.054 3.032 1.00 0.66 H new ATOM 750 N ILE A 49 -3.129 7.863 6.717 1.00 0.86 N ATOM 751 CA ILE A 49 -4.157 8.643 7.394 1.00 0.92 C ATOM 752 C ILE A 49 -3.781 10.123 7.337 1.00 0.86 C ATOM 753 O ILE A 49 -4.557 10.954 6.875 1.00 1.36 O ATOM 754 CB ILE A 49 -4.329 8.138 8.840 1.00 1.22 C ATOM 755 CG1 ILE A 49 -4.953 6.730 8.851 1.00 1.40 C ATOM 756 CG2 ILE A 49 -5.164 9.096 9.701 1.00 2.38 C ATOM 757 CD1 ILE A 49 -6.452 6.690 8.545 1.00 2.91 C ATOM 0 H ILE A 49 -2.570 7.275 7.334 1.00 0.86 H new ATOM 0 HA ILE A 49 -5.118 8.522 6.895 1.00 0.92 H new ATOM 0 HB ILE A 49 -3.333 8.093 9.280 1.00 1.22 H new ATOM 0 HG12 ILE A 49 -4.431 6.111 8.122 1.00 1.40 H new ATOM 0 HG13 ILE A 49 -4.784 6.281 9.830 1.00 1.40 H new ATOM 0 HG21 ILE A 49 -5.255 8.693 10.710 1.00 2.38 H new ATOM 0 HG22 ILE A 49 -4.675 10.069 9.741 1.00 2.38 H new ATOM 0 HG23 ILE A 49 -6.156 9.207 9.264 1.00 2.38 H new ATOM 0 HD11 ILE A 49 -6.802 5.658 8.575 1.00 2.91 H new ATOM 0 HD12 ILE A 49 -6.991 7.278 9.288 1.00 2.91 H new ATOM 0 HD13 ILE A 49 -6.632 7.105 7.553 1.00 2.91 H new ATOM 769 N THR A 50 -2.580 10.481 7.798 1.00 1.70 N ATOM 770 CA THR A 50 -2.150 11.877 7.809 1.00 2.03 C ATOM 771 C THR A 50 -1.470 12.236 6.483 1.00 1.84 C ATOM 772 O THR A 50 -0.510 13.013 6.449 1.00 2.56 O ATOM 773 CB THR A 50 -1.277 12.141 9.051 1.00 2.49 C ATOM 774 OG1 THR A 50 -0.969 13.513 9.160 1.00 3.40 O ATOM 775 CG2 THR A 50 0.026 11.335 9.083 1.00 3.75 C ATOM 0 H THR A 50 -1.892 9.825 8.167 1.00 1.70 H new ATOM 0 HA THR A 50 -3.012 12.539 7.889 1.00 2.03 H new ATOM 0 HB THR A 50 -1.878 11.811 9.898 1.00 2.49 H new ATOM 0 HG1 THR A 50 -0.621 13.839 8.304 1.00 3.40 H new ATOM 0 HG21 THR A 50 0.582 11.578 9.988 1.00 3.75 H new ATOM 0 HG22 THR A 50 -0.205 10.270 9.074 1.00 3.75 H new ATOM 0 HG23 THR A 50 0.629 11.583 8.209 1.00 3.75 H new ATOM 783 N ASN A 51 -1.941 11.683 5.364 1.00 1.11 N ATOM 784 CA ASN A 51 -1.417 12.057 4.065 1.00 0.95 C ATOM 785 C ASN A 51 -2.395 11.646 2.977 1.00 0.95 C ATOM 786 O ASN A 51 -3.448 11.107 3.288 1.00 1.43 O ATOM 787 CB ASN A 51 -0.048 11.403 3.835 1.00 0.95 C ATOM 788 CG ASN A 51 0.857 12.442 3.210 1.00 1.26 C ATOM 789 OD1 ASN A 51 1.041 12.471 2.000 1.00 1.34 O ATOM 790 ND2 ASN A 51 1.341 13.362 4.030 1.00 2.60 N ATOM 0 H ASN A 51 -2.680 10.980 5.339 1.00 1.11 H new ATOM 0 HA ASN A 51 -1.289 13.139 4.031 1.00 0.95 H new ATOM 0 HB2 ASN A 51 0.370 11.048 4.777 1.00 0.95 H new ATOM 0 HB3 ASN A 51 -0.143 10.536 3.182 1.00 0.95 H new ATOM 0 HD21 ASN A 51 1.893 14.136 3.660 1.00 2.60 H new ATOM 0 HD22 ASN A 51 1.162 13.297 5.032 1.00 2.60 H new ATOM 797 N LYS A 52 -2.053 11.877 1.708 1.00 0.70 N ATOM 798 CA LYS A 52 -2.806 11.306 0.598 1.00 0.71 C ATOM 799 C LYS A 52 -2.084 11.570 -0.718 1.00 0.62 C ATOM 800 O LYS A 52 -2.678 12.107 -1.644 1.00 0.83 O ATOM 801 CB LYS A 52 -4.245 11.852 0.548 1.00 0.94 C ATOM 802 CG LYS A 52 -4.333 13.381 0.616 1.00 2.00 C ATOM 803 CD LYS A 52 -5.597 13.834 -0.116 1.00 2.70 C ATOM 804 CE LYS A 52 -5.725 15.354 -0.068 1.00 4.13 C ATOM 805 NZ LYS A 52 -6.715 15.823 -1.057 1.00 5.34 N ATOM 0 H LYS A 52 -1.261 12.455 1.427 1.00 0.70 H new ATOM 0 HA LYS A 52 -2.871 10.229 0.755 1.00 0.71 H new ATOM 0 HB2 LYS A 52 -4.720 11.511 -0.372 1.00 0.94 H new ATOM 0 HB3 LYS A 52 -4.813 11.428 1.376 1.00 0.94 H new ATOM 0 HG2 LYS A 52 -4.359 13.712 1.654 1.00 2.00 H new ATOM 0 HG3 LYS A 52 -3.451 13.831 0.160 1.00 2.00 H new ATOM 0 HD2 LYS A 52 -5.565 13.498 -1.152 1.00 2.70 H new ATOM 0 HD3 LYS A 52 -6.474 13.374 0.341 1.00 2.70 H new ATOM 0 HE2 LYS A 52 -6.025 15.668 0.932 1.00 4.13 H new ATOM 0 HE3 LYS A 52 -4.757 15.813 -0.269 1.00 4.13 H new ATOM 0 HZ1 LYS A 52 -6.889 16.839 -0.919 1.00 5.34 H new ATOM 0 HZ2 LYS A 52 -6.350 15.661 -2.017 1.00 5.34 H new ATOM 0 HZ3 LYS A 52 -7.605 15.299 -0.932 1.00 5.34 H new ATOM 819 N LYS A 53 -0.826 11.152 -0.849 1.00 0.50 N ATOM 820 CA LYS A 53 -0.123 11.202 -2.130 1.00 0.50 C ATOM 821 C LYS A 53 0.893 10.062 -2.160 1.00 0.49 C ATOM 822 O LYS A 53 1.363 9.640 -1.105 1.00 0.65 O ATOM 823 CB LYS A 53 0.551 12.557 -2.366 1.00 0.68 C ATOM 824 CG LYS A 53 1.473 12.993 -1.224 1.00 1.48 C ATOM 825 CD LYS A 53 2.400 14.107 -1.710 1.00 1.96 C ATOM 826 CE LYS A 53 3.221 14.625 -0.528 1.00 3.09 C ATOM 827 NZ LYS A 53 4.143 15.705 -0.939 1.00 3.81 N ATOM 0 H LYS A 53 -0.271 10.774 -0.081 1.00 0.50 H new ATOM 0 HA LYS A 53 -0.843 11.082 -2.940 1.00 0.50 H new ATOM 0 HB2 LYS A 53 1.128 12.510 -3.289 1.00 0.68 H new ATOM 0 HB3 LYS A 53 -0.219 13.316 -2.510 1.00 0.68 H new ATOM 0 HG2 LYS A 53 0.881 13.342 -0.378 1.00 1.48 H new ATOM 0 HG3 LYS A 53 2.060 12.144 -0.873 1.00 1.48 H new ATOM 0 HD2 LYS A 53 3.061 13.732 -2.492 1.00 1.96 H new ATOM 0 HD3 LYS A 53 1.817 14.918 -2.147 1.00 1.96 H new ATOM 0 HE2 LYS A 53 2.550 14.994 0.248 1.00 3.09 H new ATOM 0 HE3 LYS A 53 3.791 13.804 -0.093 1.00 3.09 H new ATOM 0 HZ1 LYS A 53 4.684 16.033 -0.113 1.00 3.81 H new ATOM 0 HZ2 LYS A 53 4.799 15.345 -1.662 1.00 3.81 H new ATOM 0 HZ3 LYS A 53 3.596 16.498 -1.331 1.00 3.81 H new ATOM 841 N CYS A 54 1.229 9.574 -3.351 1.00 0.52 N ATOM 842 CA CYS A 54 2.386 8.706 -3.562 1.00 0.61 C ATOM 843 C CYS A 54 3.598 9.640 -3.736 1.00 0.74 C ATOM 844 O CYS A 54 3.433 10.745 -4.256 1.00 0.92 O ATOM 845 CB CYS A 54 2.210 7.964 -4.895 1.00 0.73 C ATOM 846 SG CYS A 54 1.551 6.270 -4.835 1.00 0.92 S ATOM 0 H CYS A 54 0.703 9.770 -4.203 1.00 0.52 H new ATOM 0 HA CYS A 54 2.503 8.001 -2.739 1.00 0.61 H new ATOM 0 HB2 CYS A 54 1.550 8.559 -5.526 1.00 0.73 H new ATOM 0 HB3 CYS A 54 3.180 7.930 -5.391 1.00 0.73 H new ATOM 851 N PRO A 55 4.821 9.195 -3.401 1.00 1.06 N ATOM 852 CA PRO A 55 6.032 9.975 -3.608 1.00 1.42 C ATOM 853 C PRO A 55 6.355 10.128 -5.094 1.00 1.67 C ATOM 854 O PRO A 55 6.410 11.245 -5.599 1.00 2.81 O ATOM 855 CB PRO A 55 7.133 9.242 -2.832 1.00 1.92 C ATOM 856 CG PRO A 55 6.644 7.794 -2.764 1.00 1.90 C ATOM 857 CD PRO A 55 5.121 7.926 -2.759 1.00 1.38 C ATOM 0 HA PRO A 55 5.923 10.997 -3.246 1.00 1.42 H new ATOM 0 HB2 PRO A 55 8.094 9.314 -3.341 1.00 1.92 H new ATOM 0 HB3 PRO A 55 7.267 9.664 -1.836 1.00 1.92 H new ATOM 0 HG2 PRO A 55 6.993 7.213 -3.618 1.00 1.90 H new ATOM 0 HG3 PRO A 55 7.005 7.291 -1.867 1.00 1.90 H new ATOM 0 HD2 PRO A 55 4.657 7.099 -3.296 1.00 1.38 H new ATOM 0 HD3 PRO A 55 4.732 7.903 -1.741 1.00 1.38 H new ATOM 865 N ILE A 56 6.577 9.020 -5.806 1.00 1.36 N ATOM 866 CA ILE A 56 7.112 9.055 -7.162 1.00 1.59 C ATOM 867 C ILE A 56 6.013 8.622 -8.140 1.00 1.45 C ATOM 868 O ILE A 56 6.179 7.714 -8.947 1.00 2.31 O ATOM 869 CB ILE A 56 8.444 8.268 -7.212 1.00 2.07 C ATOM 870 CG1 ILE A 56 9.194 8.393 -8.554 1.00 3.12 C ATOM 871 CG2 ILE A 56 8.287 6.783 -6.850 1.00 2.51 C ATOM 872 CD1 ILE A 56 9.663 9.823 -8.840 1.00 4.37 C ATOM 0 H ILE A 56 6.391 8.080 -5.457 1.00 1.36 H new ATOM 0 HA ILE A 56 7.387 10.060 -7.483 1.00 1.59 H new ATOM 0 HB ILE A 56 9.051 8.748 -6.445 1.00 2.07 H new ATOM 0 HG12 ILE A 56 10.057 7.727 -8.546 1.00 3.12 H new ATOM 0 HG13 ILE A 56 8.542 8.061 -9.362 1.00 3.12 H new ATOM 0 HG21 ILE A 56 9.258 6.291 -6.905 1.00 2.51 H new ATOM 0 HG22 ILE A 56 7.892 6.695 -5.838 1.00 2.51 H new ATOM 0 HG23 ILE A 56 7.599 6.309 -7.550 1.00 2.51 H new ATOM 0 HD11 ILE A 56 10.184 9.850 -9.797 1.00 4.37 H new ATOM 0 HD12 ILE A 56 8.800 10.488 -8.877 1.00 4.37 H new ATOM 0 HD13 ILE A 56 10.339 10.149 -8.049 1.00 4.37 H new ATOM 884 N CYS A 57 4.876 9.317 -8.043 1.00 1.25 N ATOM 885 CA CYS A 57 3.695 9.123 -8.884 1.00 1.11 C ATOM 886 C CYS A 57 3.021 10.479 -9.147 1.00 1.31 C ATOM 887 O CYS A 57 2.597 10.742 -10.265 1.00 2.25 O ATOM 888 CB CYS A 57 2.659 8.263 -8.151 1.00 1.06 C ATOM 889 SG CYS A 57 3.215 6.579 -7.720 1.00 0.93 S ATOM 0 H CYS A 57 4.750 10.056 -7.352 1.00 1.25 H new ATOM 0 HA CYS A 57 4.017 8.646 -9.810 1.00 1.11 H new ATOM 0 HB2 CYS A 57 2.365 8.777 -7.236 1.00 1.06 H new ATOM 0 HB3 CYS A 57 1.768 8.186 -8.774 1.00 1.06 H new ATOM 894 N ARG A 58 2.868 11.314 -8.103 1.00 1.05 N ATOM 895 CA ARG A 58 2.087 12.553 -8.128 1.00 1.17 C ATOM 896 C ARG A 58 0.626 12.281 -8.485 1.00 1.10 C ATOM 897 O ARG A 58 0.106 12.780 -9.479 1.00 1.56 O ATOM 898 CB ARG A 58 2.725 13.606 -9.047 1.00 1.47 C ATOM 899 CG ARG A 58 3.994 14.205 -8.438 1.00 1.64 C ATOM 900 CD ARG A 58 4.638 15.111 -9.489 1.00 2.12 C ATOM 901 NE ARG A 58 5.620 16.033 -8.900 1.00 2.80 N ATOM 902 CZ ARG A 58 6.321 16.932 -9.602 1.00 3.56 C ATOM 903 NH1 ARG A 58 7.114 17.802 -8.975 1.00 4.22 N ATOM 904 NH2 ARG A 58 6.221 16.961 -10.932 1.00 3.92 N ATOM 0 H ARG A 58 3.299 11.136 -7.196 1.00 1.05 H new ATOM 0 HA ARG A 58 2.096 12.971 -7.121 1.00 1.17 H new ATOM 0 HB2 ARG A 58 2.964 13.151 -10.008 1.00 1.47 H new ATOM 0 HB3 ARG A 58 2.006 14.402 -9.241 1.00 1.47 H new ATOM 0 HG2 ARG A 58 3.754 14.774 -7.540 1.00 1.64 H new ATOM 0 HG3 ARG A 58 4.684 13.415 -8.141 1.00 1.64 H new ATOM 0 HD2 ARG A 58 5.127 14.497 -10.245 1.00 2.12 H new ATOM 0 HD3 ARG A 58 3.862 15.685 -9.996 1.00 2.12 H new ATOM 0 HE ARG A 58 5.777 15.985 -7.893 1.00 2.80 H new ATOM 0 HH11 ARG A 58 7.188 17.784 -7.958 1.00 4.22 H new ATOM 0 HH12 ARG A 58 7.647 18.486 -9.513 1.00 4.22 H new ATOM 0 HH21 ARG A 58 5.611 16.299 -11.412 1.00 3.92 H new ATOM 0 HH22 ARG A 58 6.754 17.645 -11.469 1.00 3.92 H new ATOM 918 N VAL A 59 -0.055 11.546 -7.609 1.00 0.84 N ATOM 919 CA VAL A 59 -1.490 11.322 -7.651 1.00 0.83 C ATOM 920 C VAL A 59 -1.964 11.390 -6.203 1.00 0.71 C ATOM 921 O VAL A 59 -1.262 10.899 -5.313 1.00 0.63 O ATOM 922 CB VAL A 59 -1.775 9.953 -8.294 1.00 0.84 C ATOM 923 CG1 VAL A 59 -3.213 9.471 -8.070 1.00 1.03 C ATOM 924 CG2 VAL A 59 -1.515 10.003 -9.803 1.00 1.14 C ATOM 0 H VAL A 59 0.397 11.076 -6.825 1.00 0.84 H new ATOM 0 HA VAL A 59 -2.017 12.063 -8.252 1.00 0.83 H new ATOM 0 HB VAL A 59 -1.100 9.250 -7.807 1.00 0.84 H new ATOM 0 HG11 VAL A 59 -3.350 8.501 -8.548 1.00 1.03 H new ATOM 0 HG12 VAL A 59 -3.404 9.379 -7.001 1.00 1.03 H new ATOM 0 HG13 VAL A 59 -3.909 10.190 -8.502 1.00 1.03 H new ATOM 0 HG21 VAL A 59 -1.722 9.026 -10.240 1.00 1.14 H new ATOM 0 HG22 VAL A 59 -2.164 10.750 -10.260 1.00 1.14 H new ATOM 0 HG23 VAL A 59 -0.473 10.268 -9.984 1.00 1.14 H new ATOM 934 N ASP A 60 -3.126 12.003 -5.968 1.00 0.75 N ATOM 935 CA ASP A 60 -3.748 12.000 -4.653 1.00 0.69 C ATOM 936 C ASP A 60 -4.333 10.610 -4.427 1.00 0.68 C ATOM 937 O ASP A 60 -5.084 10.101 -5.257 1.00 0.80 O ATOM 938 CB ASP A 60 -4.862 13.056 -4.541 1.00 0.84 C ATOM 939 CG ASP A 60 -4.363 14.403 -4.018 1.00 1.50 C ATOM 940 OD1 ASP A 60 -3.239 14.798 -4.397 1.00 2.14 O ATOM 941 OD2 ASP A 60 -5.121 15.035 -3.243 1.00 2.86 O ATOM 0 H ASP A 60 -3.654 12.509 -6.679 1.00 0.75 H new ATOM 0 HA ASP A 60 -2.999 12.246 -3.900 1.00 0.69 H new ATOM 0 HB2 ASP A 60 -5.317 13.200 -5.521 1.00 0.84 H new ATOM 0 HB3 ASP A 60 -5.643 12.683 -3.878 1.00 0.84 H new ATOM 946 N ILE A 61 -3.971 9.978 -3.315 1.00 0.63 N ATOM 947 CA ILE A 61 -4.348 8.613 -2.999 1.00 0.65 C ATOM 948 C ILE A 61 -5.792 8.559 -2.527 1.00 0.79 C ATOM 949 O ILE A 61 -6.481 7.571 -2.766 1.00 0.84 O ATOM 950 CB ILE A 61 -3.392 8.097 -1.915 1.00 0.60 C ATOM 951 CG1 ILE A 61 -1.933 8.246 -2.337 1.00 0.55 C ATOM 952 CG2 ILE A 61 -3.625 6.639 -1.563 1.00 0.66 C ATOM 953 CD1 ILE A 61 -1.683 7.808 -3.769 1.00 0.56 C ATOM 0 H ILE A 61 -3.395 10.414 -2.595 1.00 0.63 H new ATOM 0 HA ILE A 61 -4.274 7.982 -3.885 1.00 0.65 H new ATOM 0 HB ILE A 61 -3.601 8.711 -1.039 1.00 0.60 H new ATOM 0 HG12 ILE A 61 -1.632 9.287 -2.223 1.00 0.55 H new ATOM 0 HG13 ILE A 61 -1.305 7.658 -1.668 1.00 0.55 H new ATOM 0 HG21 ILE A 61 -2.918 6.334 -0.791 1.00 0.66 H new ATOM 0 HG22 ILE A 61 -4.643 6.512 -1.194 1.00 0.66 H new ATOM 0 HG23 ILE A 61 -3.481 6.023 -2.451 1.00 0.66 H new ATOM 0 HD11 ILE A 61 -0.628 7.938 -4.010 1.00 0.56 H new ATOM 0 HD12 ILE A 61 -1.955 6.758 -3.881 1.00 0.56 H new ATOM 0 HD13 ILE A 61 -2.287 8.413 -4.445 1.00 0.56 H new ATOM 965 N GLU A 62 -6.226 9.614 -1.840 1.00 0.90 N ATOM 966 CA GLU A 62 -7.526 9.680 -1.208 1.00 1.15 C ATOM 967 C GLU A 62 -8.258 10.861 -1.824 1.00 1.75 C ATOM 968 O GLU A 62 -7.752 11.985 -1.817 1.00 2.88 O ATOM 969 CB GLU A 62 -7.354 9.843 0.310 1.00 2.33 C ATOM 970 CG GLU A 62 -8.671 9.700 1.086 1.00 2.72 C ATOM 971 CD GLU A 62 -9.149 8.248 1.185 1.00 4.16 C ATOM 972 OE1 GLU A 62 -9.221 7.596 0.122 1.00 4.95 O ATOM 973 OE2 GLU A 62 -9.473 7.825 2.314 1.00 5.27 O ATOM 0 H GLU A 62 -5.668 10.458 -1.709 1.00 0.90 H new ATOM 0 HA GLU A 62 -8.102 8.768 -1.367 1.00 1.15 H new ATOM 0 HB2 GLU A 62 -6.644 9.099 0.671 1.00 2.33 H new ATOM 0 HB3 GLU A 62 -6.922 10.822 0.517 1.00 2.33 H new ATOM 0 HG2 GLU A 62 -8.541 10.104 2.090 1.00 2.72 H new ATOM 0 HG3 GLU A 62 -9.441 10.298 0.599 1.00 2.72 H new ATOM 980 N ALA A 63 -9.444 10.604 -2.373 1.00 2.00 N ATOM 981 CA ALA A 63 -10.216 11.583 -3.117 1.00 3.12 C ATOM 982 C ALA A 63 -11.668 11.447 -2.678 1.00 3.49 C ATOM 983 O ALA A 63 -12.577 11.363 -3.498 1.00 4.28 O ATOM 984 CB ALA A 63 -10.028 11.337 -4.618 1.00 3.98 C ATOM 0 H ALA A 63 -9.898 9.693 -2.309 1.00 2.00 H new ATOM 0 HA ALA A 63 -9.886 12.603 -2.920 1.00 3.12 H new ATOM 0 HB1 ALA A 63 -10.606 12.069 -5.182 1.00 3.98 H new ATOM 0 HB2 ALA A 63 -8.973 11.433 -4.873 1.00 3.98 H new ATOM 0 HB3 ALA A 63 -10.372 10.333 -4.868 1.00 3.98 H new ATOM 990 N GLN A 64 -11.871 11.405 -1.360 1.00 3.64 N ATOM 991 CA GLN A 64 -13.167 11.192 -0.755 1.00 4.21 C ATOM 992 C GLN A 64 -13.291 12.168 0.409 1.00 4.80 C ATOM 993 O GLN A 64 -12.698 11.951 1.461 1.00 5.62 O ATOM 994 CB GLN A 64 -13.274 9.728 -0.299 1.00 5.26 C ATOM 995 CG GLN A 64 -14.578 9.405 0.443 1.00 6.24 C ATOM 996 CD GLN A 64 -15.806 9.580 -0.441 1.00 6.65 C ATOM 997 OE1 GLN A 64 -16.174 10.696 -0.789 1.00 6.79 O ATOM 998 NE2 GLN A 64 -16.470 8.490 -0.810 1.00 7.59 N ATOM 0 H GLN A 64 -11.120 11.521 -0.680 1.00 3.64 H new ATOM 0 HA GLN A 64 -13.981 11.372 -1.457 1.00 4.21 H new ATOM 0 HB2 GLN A 64 -13.192 9.079 -1.171 1.00 5.26 H new ATOM 0 HB3 GLN A 64 -12.430 9.497 0.351 1.00 5.26 H new ATOM 0 HG2 GLN A 64 -14.540 8.379 0.809 1.00 6.24 H new ATOM 0 HG3 GLN A 64 -14.666 10.052 1.316 1.00 6.24 H new ATOM 0 HE21 GLN A 64 -16.147 7.570 -0.510 1.00 7.59 H new ATOM 0 HE22 GLN A 64 -17.302 8.573 -1.394 1.00 7.59 H new ATOM 1007 N LEU A 65 -14.034 13.259 0.221 1.00 5.17 N ATOM 1008 CA LEU A 65 -14.314 14.202 1.293 1.00 6.24 C ATOM 1009 C LEU A 65 -15.607 14.945 0.956 1.00 6.63 C ATOM 1010 O LEU A 65 -15.554 16.020 0.365 1.00 7.38 O ATOM 1011 CB LEU A 65 -13.147 15.192 1.460 1.00 7.36 C ATOM 1012 CG LEU A 65 -13.341 16.032 2.735 1.00 8.61 C ATOM 1013 CD1 LEU A 65 -12.500 15.451 3.875 1.00 9.33 C ATOM 1014 CD2 LEU A 65 -12.942 17.489 2.500 1.00 9.90 C ATOM 0 H LEU A 65 -14.454 13.509 -0.674 1.00 5.17 H new ATOM 0 HA LEU A 65 -14.430 13.668 2.236 1.00 6.24 H new ATOM 0 HB2 LEU A 65 -12.204 14.648 1.514 1.00 7.36 H new ATOM 0 HB3 LEU A 65 -13.088 15.846 0.590 1.00 7.36 H new ATOM 0 HG LEU A 65 -14.397 16.001 3.003 1.00 8.61 H new ATOM 0 HD11 LEU A 65 -12.642 16.051 4.774 1.00 9.33 H new ATOM 0 HD12 LEU A 65 -12.811 14.425 4.070 1.00 9.33 H new ATOM 0 HD13 LEU A 65 -11.447 15.464 3.593 1.00 9.33 H new ATOM 0 HD21 LEU A 65 -13.089 18.059 3.417 1.00 9.90 H new ATOM 0 HD22 LEU A 65 -11.893 17.536 2.208 1.00 9.90 H new ATOM 0 HD23 LEU A 65 -13.559 17.912 1.707 1.00 9.90 H new ATOM 1026 N PRO A 66 -16.776 14.390 1.294 1.00 6.83 N ATOM 1027 CA PRO A 66 -18.052 15.010 0.979 1.00 7.83 C ATOM 1028 C PRO A 66 -18.339 16.145 1.967 1.00 8.43 C ATOM 1029 O PRO A 66 -19.161 16.001 2.870 1.00 8.89 O ATOM 1030 CB PRO A 66 -19.065 13.865 1.069 1.00 8.37 C ATOM 1031 CG PRO A 66 -18.464 12.954 2.139 1.00 7.95 C ATOM 1032 CD PRO A 66 -16.960 13.080 1.892 1.00 6.91 C ATOM 0 HA PRO A 66 -18.083 15.474 -0.007 1.00 7.83 H new ATOM 0 HB2 PRO A 66 -20.054 14.223 1.354 1.00 8.37 H new ATOM 0 HB3 PRO A 66 -19.175 13.349 0.115 1.00 8.37 H new ATOM 0 HG2 PRO A 66 -18.737 13.277 3.144 1.00 7.95 H new ATOM 0 HG3 PRO A 66 -18.806 11.925 2.031 1.00 7.95 H new ATOM 0 HD2 PRO A 66 -16.400 12.991 2.823 1.00 6.91 H new ATOM 0 HD3 PRO A 66 -16.603 12.292 1.229 1.00 6.91 H new ATOM 1040 N SER A 67 -17.659 17.281 1.808 1.00 8.90 N ATOM 1041 CA SER A 67 -17.909 18.481 2.584 1.00 9.88 C ATOM 1042 C SER A 67 -17.289 19.645 1.818 1.00 10.59 C ATOM 1043 O SER A 67 -16.067 19.736 1.720 1.00 10.57 O ATOM 1044 CB SER A 67 -17.287 18.340 3.976 1.00 10.00 C ATOM 1045 OG SER A 67 -17.727 19.398 4.800 1.00 10.91 O ATOM 0 H SER A 67 -16.909 17.388 1.125 1.00 8.90 H new ATOM 0 HA SER A 67 -18.977 18.650 2.723 1.00 9.88 H new ATOM 0 HB2 SER A 67 -17.567 17.383 4.415 1.00 10.00 H new ATOM 0 HB3 SER A 67 -16.200 18.351 3.902 1.00 10.00 H new ATOM 0 HG SER A 67 -17.330 19.306 5.691 1.00 10.91 H new ATOM 1051 N GLU A 68 -18.122 20.503 1.232 1.00 11.65 N ATOM 1052 CA GLU A 68 -17.666 21.631 0.426 1.00 12.79 C ATOM 1053 C GLU A 68 -18.609 22.830 0.583 1.00 14.21 C ATOM 1054 O GLU A 68 -18.593 23.745 -0.238 1.00 15.59 O ATOM 1055 CB GLU A 68 -17.500 21.181 -1.036 1.00 13.40 C ATOM 1056 CG GLU A 68 -18.775 20.586 -1.650 1.00 13.97 C ATOM 1057 CD GLU A 68 -18.511 20.062 -3.064 1.00 15.02 C ATOM 1058 OE1 GLU A 68 -18.604 20.874 -4.012 1.00 16.26 O ATOM 1059 OE2 GLU A 68 -18.221 18.850 -3.178 1.00 14.86 O ATOM 0 H GLU A 68 -19.137 20.434 1.304 1.00 11.65 H new ATOM 0 HA GLU A 68 -16.691 21.968 0.778 1.00 12.79 H new ATOM 0 HB2 GLU A 68 -17.184 22.035 -1.635 1.00 13.40 H new ATOM 0 HB3 GLU A 68 -16.702 20.440 -1.090 1.00 13.40 H new ATOM 0 HG2 GLU A 68 -19.142 19.775 -1.021 1.00 13.97 H new ATOM 0 HG3 GLU A 68 -19.557 21.345 -1.680 1.00 13.97 H new ATOM 1066 N SER A 69 -19.382 22.847 1.674 1.00 14.13 N ATOM 1067 CA SER A 69 -20.274 23.925 2.074 1.00 15.55 C ATOM 1068 C SER A 69 -20.279 23.999 3.595 1.00 15.43 C ATOM 1069 O SER A 69 -19.771 23.032 4.207 1.00 14.45 O ATOM 1070 CB SER A 69 -21.699 23.657 1.591 1.00 16.62 C ATOM 1071 OG SER A 69 -21.764 23.642 0.178 1.00 17.62 O ATOM 1072 OXT SER A 69 -20.823 24.996 4.112 1.00 16.57 O ATOM 0 H SER A 69 -19.399 22.067 2.331 1.00 14.13 H new ATOM 0 HA SER A 69 -19.926 24.860 1.634 1.00 15.55 H new ATOM 0 HB2 SER A 69 -22.046 22.701 1.984 1.00 16.62 H new ATOM 0 HB3 SER A 69 -22.369 24.424 1.981 1.00 16.62 H new ATOM 0 HG SER A 69 -22.686 23.467 -0.105 1.00 17.62 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.842 -4.256 6.158 1.00 0.80 ZN HETATM 1080 ZN ZN A 102 1.797 5.144 -6.761 1.00 0.64 ZN