USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 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 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ -136:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 1.02 K(o=2.1,f=-7.7!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 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+ 144:sc= 1.12 (180deg=0.2) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.493 X(o=0.49,f=-0.0058) USER MOD Single : A 9 THR OG1 : rot 52:sc= 0.429 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 30:sc= 0.821 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 127:sc= 0.17 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 53 LYS NZ :NH3+ -142:sc= 0.84 (180deg=-1.73!) USER MOD Single : A 67 SER OG : rot -67:sc= 0.698 USER MOD Single : A 69 SER OG : rot 37:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.898 -13.866 2.006 1.00 17.69 N ATOM 2 CA MET A 1 8.017 -15.156 1.303 1.00 17.60 C ATOM 3 C MET A 1 7.650 -16.282 2.255 1.00 17.09 C ATOM 4 O MET A 1 8.206 -16.339 3.346 1.00 17.31 O ATOM 5 CB MET A 1 9.437 -15.393 0.773 1.00 18.43 C ATOM 6 CG MET A 1 9.831 -14.355 -0.278 1.00 19.50 C ATOM 7 SD MET A 1 10.426 -12.779 0.391 1.00 20.22 S ATOM 8 CE MET A 1 12.154 -13.222 0.721 1.00 21.54 C ATOM 0 H1 MET A 1 8.646 -13.222 1.678 1.00 17.69 H new ATOM 0 H2 MET A 1 6.968 -13.446 1.806 1.00 17.69 H new ATOM 0 H3 MET A 1 7.997 -14.018 3.030 1.00 17.69 H new ATOM 0 HA MET A 1 7.338 -15.133 0.450 1.00 17.60 H new ATOM 0 HB2 MET A 1 10.145 -15.358 1.601 1.00 18.43 H new ATOM 0 HB3 MET A 1 9.502 -16.391 0.340 1.00 18.43 H new ATOM 0 HG2 MET A 1 10.608 -14.780 -0.913 1.00 19.50 H new ATOM 0 HG3 MET A 1 8.969 -14.160 -0.916 1.00 19.50 H new ATOM 0 HE1 MET A 1 12.676 -12.362 1.140 1.00 21.54 H new ATOM 0 HE2 MET A 1 12.189 -14.049 1.431 1.00 21.54 H new ATOM 0 HE3 MET A 1 12.637 -13.522 -0.209 1.00 21.54 H new ATOM 20 N LYS A 2 6.730 -17.164 1.848 1.00 16.67 N ATOM 21 CA LYS A 2 6.520 -18.475 2.460 1.00 16.53 C ATOM 22 C LYS A 2 5.550 -19.267 1.599 1.00 16.25 C ATOM 23 O LYS A 2 5.887 -20.356 1.153 1.00 16.73 O ATOM 24 CB LYS A 2 6.084 -18.398 3.940 1.00 16.48 C ATOM 25 CG LYS A 2 7.130 -19.143 4.786 1.00 17.22 C ATOM 26 CD LYS A 2 6.987 -18.930 6.296 1.00 17.63 C ATOM 27 CE LYS A 2 5.630 -19.425 6.816 1.00 17.58 C ATOM 28 NZ LYS A 2 5.723 -19.976 8.187 1.00 18.18 N ATOM 0 H LYS A 2 6.099 -16.980 1.068 1.00 16.67 H new ATOM 0 HA LYS A 2 7.476 -18.998 2.493 1.00 16.53 H new ATOM 0 HB2 LYS A 2 6.006 -17.359 4.260 1.00 16.48 H new ATOM 0 HB3 LYS A 2 5.099 -18.847 4.070 1.00 16.48 H new ATOM 0 HG2 LYS A 2 7.060 -20.210 4.573 1.00 17.22 H new ATOM 0 HG3 LYS A 2 8.125 -18.822 4.478 1.00 17.22 H new ATOM 0 HD2 LYS A 2 7.789 -19.456 6.815 1.00 17.63 H new ATOM 0 HD3 LYS A 2 7.100 -17.870 6.526 1.00 17.63 H new ATOM 0 HE2 LYS A 2 4.916 -18.601 6.805 1.00 17.58 H new ATOM 0 HE3 LYS A 2 5.243 -20.191 6.144 1.00 17.58 H new ATOM 0 HZ1 LYS A 2 4.784 -20.298 8.496 1.00 18.18 H new ATOM 0 HZ2 LYS A 2 6.384 -20.779 8.194 1.00 18.18 H new ATOM 0 HZ3 LYS A 2 6.067 -19.239 8.835 1.00 18.18 H new ATOM 42 N GLN A 3 4.415 -18.641 1.294 1.00 15.83 N ATOM 43 CA GLN A 3 3.329 -19.135 0.451 1.00 15.81 C ATOM 44 C GLN A 3 2.542 -20.178 1.235 1.00 15.04 C ATOM 45 O GLN A 3 2.703 -21.379 1.046 1.00 15.27 O ATOM 46 CB GLN A 3 3.820 -19.673 -0.902 1.00 16.96 C ATOM 47 CG GLN A 3 4.640 -18.642 -1.697 1.00 17.95 C ATOM 48 CD GLN A 3 5.849 -19.255 -2.401 1.00 19.03 C ATOM 49 OE1 GLN A 3 6.044 -19.075 -3.595 1.00 19.70 O ATOM 50 NE2 GLN A 3 6.707 -19.966 -1.678 1.00 19.46 N ATOM 0 H GLN A 3 4.216 -17.708 1.656 1.00 15.83 H new ATOM 0 HA GLN A 3 2.674 -18.301 0.198 1.00 15.81 H new ATOM 0 HB2 GLN A 3 4.428 -20.562 -0.734 1.00 16.96 H new ATOM 0 HB3 GLN A 3 2.961 -19.983 -1.497 1.00 16.96 H new ATOM 0 HG2 GLN A 3 3.997 -18.168 -2.438 1.00 17.95 H new ATOM 0 HG3 GLN A 3 4.980 -17.857 -1.021 1.00 17.95 H new ATOM 0 HE21 GLN A 3 6.537 -20.112 -0.683 1.00 19.46 H new ATOM 0 HE22 GLN A 3 7.536 -20.366 -2.118 1.00 19.46 H new ATOM 59 N ASP A 4 1.700 -19.692 2.142 1.00 14.35 N ATOM 60 CA ASP A 4 0.848 -20.503 3.000 1.00 13.75 C ATOM 61 C ASP A 4 -0.352 -19.629 3.378 1.00 12.83 C ATOM 62 O ASP A 4 -0.385 -18.460 2.984 1.00 12.76 O ATOM 63 CB ASP A 4 1.651 -20.942 4.235 1.00 13.90 C ATOM 64 CG ASP A 4 1.143 -22.256 4.823 1.00 14.63 C ATOM 65 OD1 ASP A 4 -0.008 -22.626 4.501 1.00 15.28 O ATOM 66 OD2 ASP A 4 1.933 -22.879 5.566 1.00 14.87 O ATOM 0 H ASP A 4 1.590 -18.691 2.304 1.00 14.35 H new ATOM 0 HA ASP A 4 0.499 -21.409 2.504 1.00 13.75 H new ATOM 0 HB2 ASP A 4 2.701 -21.051 3.962 1.00 13.90 H new ATOM 0 HB3 ASP A 4 1.598 -20.163 4.995 1.00 13.90 H new ATOM 71 N GLY A 5 -1.327 -20.140 4.127 1.00 12.38 N ATOM 72 CA GLY A 5 -2.424 -19.313 4.597 1.00 11.69 C ATOM 73 C GLY A 5 -3.200 -20.025 5.692 1.00 10.91 C ATOM 74 O GLY A 5 -3.488 -21.216 5.584 1.00 11.15 O ATOM 0 H GLY A 5 -1.376 -21.117 4.417 1.00 12.38 H new ATOM 0 HA2 GLY A 5 -2.037 -18.367 4.975 1.00 11.69 H new ATOM 0 HA3 GLY A 5 -3.090 -19.077 3.767 1.00 11.69 H new ATOM 78 N GLU A 6 -3.567 -19.291 6.739 1.00 10.37 N ATOM 79 CA GLU A 6 -4.227 -19.797 7.917 1.00 9.89 C ATOM 80 C GLU A 6 -5.246 -18.772 8.419 1.00 9.40 C ATOM 81 O GLU A 6 -5.303 -17.648 7.923 1.00 9.55 O ATOM 82 CB GLU A 6 -3.184 -20.152 8.991 1.00 9.78 C ATOM 83 CG GLU A 6 -2.246 -18.991 9.365 1.00 9.46 C ATOM 84 CD GLU A 6 -0.997 -18.919 8.478 1.00 10.07 C ATOM 85 OE1 GLU A 6 -1.080 -18.268 7.412 1.00 10.71 O ATOM 86 OE2 GLU A 6 0.034 -19.500 8.890 1.00 10.31 O ATOM 0 H GLU A 6 -3.401 -18.286 6.782 1.00 10.37 H new ATOM 0 HA GLU A 6 -4.770 -20.711 7.675 1.00 9.89 H new ATOM 0 HB2 GLU A 6 -3.703 -20.489 9.888 1.00 9.78 H new ATOM 0 HB3 GLU A 6 -2.584 -20.990 8.636 1.00 9.78 H new ATOM 0 HG2 GLU A 6 -2.793 -18.051 9.290 1.00 9.46 H new ATOM 0 HG3 GLU A 6 -1.940 -19.099 10.406 1.00 9.46 H new ATOM 93 N GLU A 7 -6.072 -19.161 9.390 1.00 9.28 N ATOM 94 CA GLU A 7 -7.054 -18.262 9.973 1.00 9.12 C ATOM 95 C GLU A 7 -6.348 -17.362 10.984 1.00 7.97 C ATOM 96 O GLU A 7 -5.696 -17.862 11.900 1.00 7.88 O ATOM 97 CB GLU A 7 -8.156 -19.090 10.653 1.00 10.23 C ATOM 98 CG GLU A 7 -9.298 -18.224 11.199 1.00 10.74 C ATOM 99 CD GLU A 7 -10.023 -17.484 10.076 1.00 11.85 C ATOM 100 OE1 GLU A 7 -9.459 -16.459 9.628 1.00 11.95 O ATOM 101 OE2 GLU A 7 -11.110 -17.957 9.680 1.00 12.93 O ATOM 0 H GLU A 7 -6.076 -20.100 9.788 1.00 9.28 H new ATOM 0 HA GLU A 7 -7.514 -17.642 9.204 1.00 9.12 H new ATOM 0 HB2 GLU A 7 -8.559 -19.807 9.938 1.00 10.23 H new ATOM 0 HB3 GLU A 7 -7.720 -19.666 11.470 1.00 10.23 H new ATOM 0 HG2 GLU A 7 -10.006 -18.852 11.739 1.00 10.74 H new ATOM 0 HG3 GLU A 7 -8.900 -17.504 11.914 1.00 10.74 H new ATOM 108 N GLY A 8 -6.473 -16.042 10.838 1.00 7.46 N ATOM 109 CA GLY A 8 -5.820 -15.106 11.740 1.00 6.56 C ATOM 110 C GLY A 8 -5.556 -13.775 11.049 1.00 5.86 C ATOM 111 O GLY A 8 -4.563 -13.618 10.345 1.00 5.74 O ATOM 0 H GLY A 8 -7.023 -15.601 10.101 1.00 7.46 H new ATOM 0 HA2 GLY A 8 -6.445 -14.946 12.618 1.00 6.56 H new ATOM 0 HA3 GLY A 8 -4.879 -15.530 12.091 1.00 6.56 H new ATOM 115 N THR A 9 -6.434 -12.794 11.254 1.00 6.04 N ATOM 116 CA THR A 9 -6.255 -11.462 10.705 1.00 5.75 C ATOM 117 C THR A 9 -5.236 -10.698 11.553 1.00 4.54 C ATOM 118 O THR A 9 -5.622 -9.902 12.409 1.00 5.00 O ATOM 119 CB THR A 9 -7.614 -10.768 10.675 1.00 7.13 C ATOM 120 OG1 THR A 9 -8.210 -10.826 11.956 1.00 7.52 O ATOM 121 CG2 THR A 9 -8.559 -11.444 9.678 1.00 8.36 C ATOM 0 H THR A 9 -7.285 -12.905 11.805 1.00 6.04 H new ATOM 0 HA THR A 9 -5.867 -11.503 9.687 1.00 5.75 H new ATOM 0 HB THR A 9 -7.450 -9.734 10.372 1.00 7.13 H new ATOM 0 HG1 THR A 9 -7.579 -10.489 12.626 1.00 7.52 H new ATOM 0 HG21 THR A 9 -9.519 -10.928 9.679 1.00 8.36 H new ATOM 0 HG22 THR A 9 -8.125 -11.401 8.679 1.00 8.36 H new ATOM 0 HG23 THR A 9 -8.707 -12.485 9.965 1.00 8.36 H new ATOM 129 N GLU A 10 -3.947 -10.974 11.357 1.00 3.82 N ATOM 130 CA GLU A 10 -2.887 -10.276 12.071 1.00 3.37 C ATOM 131 C GLU A 10 -2.577 -8.935 11.388 1.00 2.93 C ATOM 132 O GLU A 10 -3.248 -8.538 10.434 1.00 3.48 O ATOM 133 CB GLU A 10 -1.655 -11.194 12.204 1.00 4.26 C ATOM 134 CG GLU A 10 -1.258 -11.294 13.682 1.00 4.90 C ATOM 135 CD GLU A 10 -0.079 -12.245 13.905 1.00 6.16 C ATOM 136 OE1 GLU A 10 -0.342 -13.460 14.050 1.00 7.21 O ATOM 137 OE2 GLU A 10 1.063 -11.739 13.959 1.00 6.60 O ATOM 0 H GLU A 10 -3.613 -11.683 10.703 1.00 3.82 H new ATOM 0 HA GLU A 10 -3.212 -10.035 13.083 1.00 3.37 H new ATOM 0 HB2 GLU A 10 -1.880 -12.184 11.808 1.00 4.26 H new ATOM 0 HB3 GLU A 10 -0.826 -10.797 11.618 1.00 4.26 H new ATOM 0 HG2 GLU A 10 -0.998 -10.303 14.054 1.00 4.90 H new ATOM 0 HG3 GLU A 10 -2.114 -11.638 14.263 1.00 4.90 H new ATOM 144 N GLU A 11 -1.584 -8.206 11.902 1.00 2.61 N ATOM 145 CA GLU A 11 -1.146 -6.944 11.317 1.00 2.43 C ATOM 146 C GLU A 11 -0.406 -7.222 10.000 1.00 2.29 C ATOM 147 O GLU A 11 -0.042 -8.368 9.742 1.00 3.36 O ATOM 148 CB GLU A 11 -0.282 -6.209 12.354 1.00 2.93 C ATOM 149 CG GLU A 11 -0.051 -4.734 12.012 1.00 3.02 C ATOM 150 CD GLU A 11 0.501 -3.975 13.221 1.00 4.18 C ATOM 151 OE1 GLU A 11 -0.335 -3.482 14.011 1.00 4.89 O ATOM 152 OE2 GLU A 11 1.744 -3.905 13.344 1.00 5.02 O ATOM 0 H GLU A 11 -1.063 -8.477 12.736 1.00 2.61 H new ATOM 0 HA GLU A 11 -1.989 -6.300 11.069 1.00 2.43 H new ATOM 0 HB2 GLU A 11 -0.761 -6.278 13.331 1.00 2.93 H new ATOM 0 HB3 GLU A 11 0.682 -6.711 12.436 1.00 2.93 H new ATOM 0 HG2 GLU A 11 0.646 -4.654 11.178 1.00 3.02 H new ATOM 0 HG3 GLU A 11 -0.988 -4.280 11.689 1.00 3.02 H new ATOM 159 N ASP A 12 -0.181 -6.202 9.157 1.00 1.83 N ATOM 160 CA ASP A 12 0.346 -6.376 7.800 1.00 1.57 C ATOM 161 C ASP A 12 -0.519 -7.369 7.037 1.00 1.50 C ATOM 162 O ASP A 12 -0.050 -8.391 6.539 1.00 2.18 O ATOM 163 CB ASP A 12 1.844 -6.736 7.805 1.00 1.92 C ATOM 164 CG ASP A 12 2.726 -5.552 8.190 1.00 2.90 C ATOM 165 OD1 ASP A 12 2.336 -4.411 7.859 1.00 3.73 O ATOM 166 OD2 ASP A 12 3.836 -5.775 8.727 1.00 3.90 O ATOM 0 H ASP A 12 -0.362 -5.229 9.402 1.00 1.83 H new ATOM 0 HA ASP A 12 0.291 -5.425 7.270 1.00 1.57 H new ATOM 0 HB2 ASP A 12 2.016 -7.555 8.503 1.00 1.92 H new ATOM 0 HB3 ASP A 12 2.132 -7.094 6.817 1.00 1.92 H new ATOM 171 N THR A 13 -1.798 -7.015 6.883 1.00 1.19 N ATOM 172 CA THR A 13 -2.697 -7.707 5.969 1.00 1.14 C ATOM 173 C THR A 13 -2.287 -7.318 4.544 1.00 0.79 C ATOM 174 O THR A 13 -2.851 -6.446 3.885 1.00 1.14 O ATOM 175 CB THR A 13 -4.160 -7.416 6.333 1.00 1.49 C ATOM 176 OG1 THR A 13 -5.047 -8.313 5.697 1.00 1.73 O ATOM 177 CG2 THR A 13 -4.561 -5.997 5.965 1.00 1.45 C ATOM 0 H THR A 13 -2.233 -6.243 7.388 1.00 1.19 H new ATOM 0 HA THR A 13 -2.616 -8.791 6.046 1.00 1.14 H new ATOM 0 HB THR A 13 -4.231 -7.543 7.413 1.00 1.49 H new ATOM 0 HG1 THR A 13 -5.968 -8.099 5.953 1.00 1.73 H new ATOM 0 HG21 THR A 13 -5.603 -5.831 6.239 1.00 1.45 H new ATOM 0 HG22 THR A 13 -3.928 -5.290 6.501 1.00 1.45 H new ATOM 0 HG23 THR A 13 -4.440 -5.852 4.892 1.00 1.45 H new ATOM 185 N GLU A 14 -1.230 -7.947 4.069 1.00 0.55 N ATOM 186 CA GLU A 14 -0.826 -7.843 2.691 1.00 0.56 C ATOM 187 C GLU A 14 -1.875 -8.582 1.875 1.00 0.77 C ATOM 188 O GLU A 14 -2.117 -9.762 2.113 1.00 1.28 O ATOM 189 CB GLU A 14 0.557 -8.495 2.532 1.00 0.95 C ATOM 190 CG GLU A 14 1.049 -8.552 1.078 1.00 2.34 C ATOM 191 CD GLU A 14 0.609 -9.806 0.314 1.00 3.09 C ATOM 192 OE1 GLU A 14 1.175 -10.879 0.620 1.00 3.28 O ATOM 193 OE2 GLU A 14 -0.224 -9.662 -0.610 1.00 4.55 O ATOM 0 H GLU A 14 -0.628 -8.546 4.635 1.00 0.55 H new ATOM 0 HA GLU A 14 -0.751 -6.808 2.357 1.00 0.56 H new ATOM 0 HB2 GLU A 14 1.281 -7.941 3.130 1.00 0.95 H new ATOM 0 HB3 GLU A 14 0.520 -9.508 2.934 1.00 0.95 H new ATOM 0 HG2 GLU A 14 0.685 -7.671 0.548 1.00 2.34 H new ATOM 0 HG3 GLU A 14 2.138 -8.500 1.072 1.00 2.34 H new ATOM 200 N GLU A 15 -2.490 -7.896 0.918 1.00 0.81 N ATOM 201 CA GLU A 15 -3.171 -8.556 -0.173 1.00 1.02 C ATOM 202 C GLU A 15 -2.877 -7.813 -1.477 1.00 1.05 C ATOM 203 O GLU A 15 -2.118 -6.842 -1.503 1.00 2.12 O ATOM 204 CB GLU A 15 -4.683 -8.651 0.110 1.00 1.37 C ATOM 205 CG GLU A 15 -5.043 -9.829 1.019 1.00 1.69 C ATOM 206 CD GLU A 15 -6.534 -10.149 0.893 1.00 2.17 C ATOM 207 OE1 GLU A 15 -7.343 -9.313 1.353 1.00 3.13 O ATOM 208 OE2 GLU A 15 -6.849 -11.201 0.291 1.00 2.84 O ATOM 0 H GLU A 15 -2.527 -6.877 0.882 1.00 0.81 H new ATOM 0 HA GLU A 15 -2.803 -9.577 -0.272 1.00 1.02 H new ATOM 0 HB2 GLU A 15 -5.020 -7.724 0.573 1.00 1.37 H new ATOM 0 HB3 GLU A 15 -5.219 -8.749 -0.834 1.00 1.37 H new ATOM 0 HG2 GLU A 15 -4.451 -10.703 0.748 1.00 1.69 H new ATOM 0 HG3 GLU A 15 -4.800 -9.588 2.054 1.00 1.69 H new ATOM 215 N LYS A 16 -3.515 -8.277 -2.558 1.00 0.81 N ATOM 216 CA LYS A 16 -3.499 -7.724 -3.904 1.00 0.72 C ATOM 217 C LYS A 16 -3.368 -6.202 -3.890 1.00 0.67 C ATOM 218 O LYS A 16 -4.206 -5.510 -3.309 1.00 0.97 O ATOM 219 CB LYS A 16 -4.789 -8.201 -4.593 1.00 0.85 C ATOM 220 CG LYS A 16 -5.128 -7.487 -5.909 1.00 2.18 C ATOM 221 CD LYS A 16 -6.401 -6.656 -5.738 1.00 3.38 C ATOM 222 CE LYS A 16 -6.682 -5.870 -7.020 1.00 5.06 C ATOM 223 NZ LYS A 16 -7.989 -5.181 -6.954 1.00 6.07 N ATOM 0 H LYS A 16 -4.098 -9.112 -2.503 1.00 0.81 H new ATOM 0 HA LYS A 16 -2.628 -8.073 -4.458 1.00 0.72 H new ATOM 0 HB2 LYS A 16 -4.703 -9.270 -4.789 1.00 0.85 H new ATOM 0 HB3 LYS A 16 -5.621 -8.070 -3.902 1.00 0.85 H new ATOM 0 HG2 LYS A 16 -4.300 -6.843 -6.207 1.00 2.18 H new ATOM 0 HG3 LYS A 16 -5.265 -8.219 -6.705 1.00 2.18 H new ATOM 0 HD2 LYS A 16 -7.244 -7.308 -5.508 1.00 3.38 H new ATOM 0 HD3 LYS A 16 -6.289 -5.971 -4.898 1.00 3.38 H new ATOM 0 HE2 LYS A 16 -5.891 -5.138 -7.181 1.00 5.06 H new ATOM 0 HE3 LYS A 16 -6.668 -6.547 -7.874 1.00 5.06 H new ATOM 0 HZ1 LYS A 16 -8.150 -4.657 -7.838 1.00 6.07 H new ATOM 0 HZ2 LYS A 16 -8.745 -5.883 -6.825 1.00 6.07 H new ATOM 0 HZ3 LYS A 16 -7.992 -4.518 -6.153 1.00 6.07 H new ATOM 237 N CYS A 17 -2.342 -5.683 -4.572 1.00 0.44 N ATOM 238 CA CYS A 17 -2.114 -4.266 -4.655 1.00 0.38 C ATOM 239 C CYS A 17 -3.346 -3.636 -5.303 1.00 0.41 C ATOM 240 O CYS A 17 -3.924 -4.144 -6.265 1.00 0.51 O ATOM 241 CB CYS A 17 -0.841 -3.963 -5.457 1.00 0.34 C ATOM 242 SG CYS A 17 -0.081 -2.364 -5.024 1.00 0.28 S ATOM 0 H CYS A 17 -1.656 -6.246 -5.076 1.00 0.44 H new ATOM 0 HA CYS A 17 -1.962 -3.846 -3.661 1.00 0.38 H new ATOM 0 HB2 CYS A 17 -0.116 -4.759 -5.289 1.00 0.34 H new ATOM 0 HB3 CYS A 17 -1.080 -3.968 -6.520 1.00 0.34 H new ATOM 247 N THR A 18 -3.737 -2.489 -4.781 1.00 0.40 N ATOM 248 CA THR A 18 -4.889 -1.772 -5.295 1.00 0.47 C ATOM 249 C THR A 18 -4.446 -0.454 -5.898 1.00 0.38 C ATOM 250 O THR A 18 -5.116 0.062 -6.784 1.00 0.45 O ATOM 251 CB THR A 18 -5.996 -1.704 -4.246 1.00 0.68 C ATOM 252 OG1 THR A 18 -7.250 -1.882 -4.876 1.00 1.82 O ATOM 253 CG2 THR A 18 -5.995 -0.390 -3.481 1.00 1.25 C ATOM 0 H THR A 18 -3.271 -2.032 -3.997 1.00 0.40 H new ATOM 0 HA THR A 18 -5.353 -2.311 -6.121 1.00 0.47 H new ATOM 0 HB THR A 18 -5.812 -2.500 -3.524 1.00 0.68 H new ATOM 0 HG1 THR A 18 -7.962 -1.840 -4.204 1.00 1.82 H new ATOM 0 HG21 THR A 18 -6.802 -0.395 -2.748 1.00 1.25 H new ATOM 0 HG22 THR A 18 -5.041 -0.268 -2.969 1.00 1.25 H new ATOM 0 HG23 THR A 18 -6.142 0.436 -4.177 1.00 1.25 H new ATOM 261 N ILE A 19 -3.279 0.047 -5.493 1.00 0.29 N ATOM 262 CA ILE A 19 -2.662 1.170 -6.152 1.00 0.34 C ATOM 263 C ILE A 19 -2.195 0.725 -7.534 1.00 0.39 C ATOM 264 O ILE A 19 -2.388 1.447 -8.507 1.00 0.51 O ATOM 265 CB ILE A 19 -1.536 1.687 -5.247 1.00 0.31 C ATOM 266 CG1 ILE A 19 -2.133 2.244 -3.939 1.00 0.31 C ATOM 267 CG2 ILE A 19 -0.724 2.773 -5.932 1.00 0.40 C ATOM 268 CD1 ILE A 19 -2.142 1.218 -2.807 1.00 0.36 C ATOM 0 H ILE A 19 -2.748 -0.320 -4.703 1.00 0.29 H new ATOM 0 HA ILE A 19 -3.352 1.998 -6.311 1.00 0.34 H new ATOM 0 HB ILE A 19 -0.872 0.850 -5.029 1.00 0.31 H new ATOM 0 HG12 ILE A 19 -1.560 3.117 -3.627 1.00 0.31 H new ATOM 0 HG13 ILE A 19 -3.153 2.581 -4.125 1.00 0.31 H new ATOM 0 HG21 ILE A 19 0.064 3.115 -5.262 1.00 0.40 H new ATOM 0 HG22 ILE A 19 -0.278 2.374 -6.843 1.00 0.40 H new ATOM 0 HG23 ILE A 19 -1.375 3.610 -6.184 1.00 0.40 H new ATOM 0 HD11 ILE A 19 -2.573 1.667 -1.912 1.00 0.36 H new ATOM 0 HD12 ILE A 19 -2.738 0.355 -3.103 1.00 0.36 H new ATOM 0 HD13 ILE A 19 -1.121 0.899 -2.597 1.00 0.36 H new ATOM 280 N CYS A 20 -1.646 -0.489 -7.638 1.00 0.35 N ATOM 281 CA CYS A 20 -1.290 -1.042 -8.942 1.00 0.45 C ATOM 282 C CYS A 20 -2.471 -1.802 -9.567 1.00 0.38 C ATOM 283 O CYS A 20 -2.271 -2.515 -10.547 1.00 0.47 O ATOM 284 CB CYS A 20 -0.090 -1.984 -8.813 1.00 0.59 C ATOM 285 SG CYS A 20 1.334 -1.153 -8.049 1.00 0.98 S ATOM 0 H CYS A 20 -1.442 -1.098 -6.846 1.00 0.35 H new ATOM 0 HA CYS A 20 -1.029 -0.208 -9.593 1.00 0.45 H new ATOM 0 HB2 CYS A 20 -0.370 -2.851 -8.215 1.00 0.59 H new ATOM 0 HB3 CYS A 20 0.190 -2.354 -9.799 1.00 0.59 H new ATOM 290 N LEU A 21 -3.681 -1.694 -8.999 1.00 0.33 N ATOM 291 CA LEU A 21 -4.878 -2.437 -9.413 1.00 0.37 C ATOM 292 C LEU A 21 -4.607 -3.888 -9.851 1.00 0.42 C ATOM 293 O LEU A 21 -5.207 -4.382 -10.803 1.00 0.71 O ATOM 294 CB LEU A 21 -5.666 -1.646 -10.453 1.00 0.45 C ATOM 295 CG LEU A 21 -6.578 -0.613 -9.779 1.00 0.59 C ATOM 296 CD1 LEU A 21 -5.946 0.772 -9.805 1.00 0.83 C ATOM 297 CD2 LEU A 21 -7.935 -0.611 -10.477 1.00 0.72 C ATOM 0 H LEU A 21 -3.858 -1.067 -8.214 1.00 0.33 H new ATOM 0 HA LEU A 21 -5.496 -2.544 -8.522 1.00 0.37 H new ATOM 0 HB2 LEU A 21 -4.977 -1.142 -11.131 1.00 0.45 H new ATOM 0 HB3 LEU A 21 -6.265 -2.327 -11.057 1.00 0.45 H new ATOM 0 HG LEU A 21 -6.716 -0.885 -8.733 1.00 0.59 H new ATOM 0 HD11 LEU A 21 -6.613 1.485 -9.321 1.00 0.83 H new ATOM 0 HD12 LEU A 21 -4.994 0.748 -9.275 1.00 0.83 H new ATOM 0 HD13 LEU A 21 -5.778 1.076 -10.838 1.00 0.83 H new ATOM 0 HD21 LEU A 21 -8.587 0.122 -10.002 1.00 0.72 H new ATOM 0 HD22 LEU A 21 -7.803 -0.352 -11.528 1.00 0.72 H new ATOM 0 HD23 LEU A 21 -8.385 -1.601 -10.401 1.00 0.72 H new ATOM 309 N SER A 22 -3.734 -4.608 -9.151 1.00 0.37 N ATOM 310 CA SER A 22 -3.337 -5.968 -9.512 1.00 0.43 C ATOM 311 C SER A 22 -2.647 -6.646 -8.334 1.00 0.41 C ATOM 312 O SER A 22 -2.176 -5.985 -7.415 1.00 0.36 O ATOM 313 CB SER A 22 -2.383 -5.943 -10.712 1.00 0.54 C ATOM 314 OG SER A 22 -3.117 -5.881 -11.917 1.00 1.43 O ATOM 0 H SER A 22 -3.277 -4.261 -8.308 1.00 0.37 H new ATOM 0 HA SER A 22 -4.234 -6.528 -9.777 1.00 0.43 H new ATOM 0 HB2 SER A 22 -1.717 -5.083 -10.639 1.00 0.54 H new ATOM 0 HB3 SER A 22 -1.755 -6.834 -10.705 1.00 0.54 H new ATOM 0 HG SER A 22 -3.959 -5.403 -11.763 1.00 1.43 H new ATOM 320 N ILE A 23 -2.583 -7.979 -8.353 1.00 0.54 N ATOM 321 CA ILE A 23 -1.887 -8.750 -7.344 1.00 0.57 C ATOM 322 C ILE A 23 -0.439 -8.280 -7.225 1.00 0.55 C ATOM 323 O ILE A 23 0.152 -7.807 -8.193 1.00 0.59 O ATOM 324 CB ILE A 23 -1.989 -10.249 -7.652 1.00 0.67 C ATOM 325 CG1 ILE A 23 -1.899 -10.542 -9.155 1.00 0.81 C ATOM 326 CG2 ILE A 23 -3.235 -10.831 -6.969 1.00 0.88 C ATOM 327 CD1 ILE A 23 -3.248 -10.824 -9.811 1.00 2.68 C ATOM 0 H ILE A 23 -3.019 -8.549 -9.078 1.00 0.54 H new ATOM 0 HA ILE A 23 -2.361 -8.588 -6.376 1.00 0.57 H new ATOM 0 HB ILE A 23 -1.124 -10.762 -7.231 1.00 0.67 H new ATOM 0 HG12 ILE A 23 -1.434 -9.692 -9.654 1.00 0.81 H new ATOM 0 HG13 ILE A 23 -1.244 -11.400 -9.310 1.00 0.81 H new ATOM 0 HG21 ILE A 23 -3.306 -11.896 -7.189 1.00 0.88 H new ATOM 0 HG22 ILE A 23 -3.160 -10.687 -5.891 1.00 0.88 H new ATOM 0 HG23 ILE A 23 -4.125 -10.323 -7.342 1.00 0.88 H new ATOM 0 HD11 ILE A 23 -3.102 -11.022 -10.873 1.00 2.68 H new ATOM 0 HD12 ILE A 23 -3.707 -11.693 -9.340 1.00 2.68 H new ATOM 0 HD13 ILE A 23 -3.900 -9.959 -9.689 1.00 2.68 H new ATOM 339 N LEU A 24 0.115 -8.390 -6.016 1.00 0.54 N ATOM 340 CA LEU A 24 1.513 -8.123 -5.776 1.00 0.55 C ATOM 341 C LEU A 24 2.376 -9.144 -6.506 1.00 0.70 C ATOM 342 O LEU A 24 1.900 -10.164 -7.000 1.00 0.76 O ATOM 343 CB LEU A 24 1.792 -8.176 -4.267 1.00 0.59 C ATOM 344 CG LEU A 24 1.551 -6.846 -3.549 1.00 0.41 C ATOM 345 CD1 LEU A 24 1.823 -7.014 -2.058 1.00 0.47 C ATOM 346 CD2 LEU A 24 2.457 -5.733 -4.073 1.00 0.51 C ATOM 0 H LEU A 24 -0.403 -8.668 -5.183 1.00 0.54 H new ATOM 0 HA LEU A 24 1.759 -7.130 -6.152 1.00 0.55 H new ATOM 0 HB2 LEU A 24 1.160 -8.941 -3.816 1.00 0.59 H new ATOM 0 HB3 LEU A 24 2.826 -8.482 -4.108 1.00 0.59 H new ATOM 0 HG LEU A 24 0.514 -6.566 -3.734 1.00 0.41 H new ATOM 0 HD11 LEU A 24 1.651 -6.066 -1.548 1.00 0.47 H new ATOM 0 HD12 LEU A 24 1.155 -7.772 -1.650 1.00 0.47 H new ATOM 0 HD13 LEU A 24 2.858 -7.324 -1.909 1.00 0.47 H new ATOM 0 HD21 LEU A 24 2.249 -4.810 -3.533 1.00 0.51 H new ATOM 0 HD22 LEU A 24 3.500 -6.013 -3.925 1.00 0.51 H new ATOM 0 HD23 LEU A 24 2.270 -5.582 -5.136 1.00 0.51 H new ATOM 358 N GLU A 25 3.668 -8.845 -6.539 1.00 0.83 N ATOM 359 CA GLU A 25 4.675 -9.607 -7.247 1.00 1.00 C ATOM 360 C GLU A 25 5.981 -9.467 -6.469 1.00 0.74 C ATOM 361 O GLU A 25 6.273 -8.383 -5.957 1.00 0.83 O ATOM 362 CB GLU A 25 4.804 -9.071 -8.685 1.00 1.26 C ATOM 363 CG GLU A 25 5.284 -7.618 -8.661 1.00 1.15 C ATOM 364 CD GLU A 25 5.106 -6.870 -9.978 1.00 1.39 C ATOM 365 OE1 GLU A 25 5.555 -7.396 -11.018 1.00 2.07 O ATOM 366 OE2 GLU A 25 4.549 -5.751 -9.894 1.00 2.22 O ATOM 0 H GLU A 25 4.052 -8.034 -6.054 1.00 0.83 H new ATOM 0 HA GLU A 25 4.409 -10.662 -7.318 1.00 1.00 H new ATOM 0 HB2 GLU A 25 5.506 -9.685 -9.249 1.00 1.26 H new ATOM 0 HB3 GLU A 25 3.842 -9.137 -9.194 1.00 1.26 H new ATOM 0 HG2 GLU A 25 4.745 -7.084 -7.879 1.00 1.15 H new ATOM 0 HG3 GLU A 25 6.339 -7.602 -8.389 1.00 1.15 H new ATOM 373 N GLU A 26 6.780 -10.532 -6.393 1.00 0.87 N ATOM 374 CA GLU A 26 8.176 -10.454 -6.004 1.00 0.98 C ATOM 375 C GLU A 26 8.937 -9.675 -7.085 1.00 1.19 C ATOM 376 O GLU A 26 9.573 -10.262 -7.958 1.00 1.58 O ATOM 377 CB GLU A 26 8.772 -11.864 -5.822 1.00 1.56 C ATOM 378 CG GLU A 26 8.552 -12.461 -4.423 1.00 1.95 C ATOM 379 CD GLU A 26 7.124 -12.925 -4.119 1.00 2.52 C ATOM 380 OE1 GLU A 26 6.284 -12.912 -5.048 1.00 3.52 O ATOM 381 OE2 GLU A 26 6.909 -13.318 -2.946 1.00 3.31 O ATOM 0 H GLU A 26 6.467 -11.480 -6.603 1.00 0.87 H new ATOM 0 HA GLU A 26 8.265 -9.938 -5.048 1.00 0.98 H new ATOM 0 HB2 GLU A 26 8.333 -12.531 -6.563 1.00 1.56 H new ATOM 0 HB3 GLU A 26 9.842 -11.824 -6.024 1.00 1.56 H new ATOM 0 HG2 GLU A 26 9.225 -13.310 -4.300 1.00 1.95 H new ATOM 0 HG3 GLU A 26 8.839 -11.716 -3.680 1.00 1.95 H new ATOM 388 N GLY A 27 8.869 -8.345 -7.024 1.00 1.53 N ATOM 389 CA GLY A 27 9.581 -7.459 -7.929 1.00 2.19 C ATOM 390 C GLY A 27 10.756 -6.843 -7.189 1.00 1.75 C ATOM 391 O GLY A 27 11.911 -7.075 -7.532 1.00 2.01 O ATOM 0 H GLY A 27 8.307 -7.851 -6.331 1.00 1.53 H new ATOM 0 HA2 GLY A 27 9.932 -8.012 -8.800 1.00 2.19 H new ATOM 0 HA3 GLY A 27 8.914 -6.678 -8.295 1.00 2.19 H new ATOM 395 N GLU A 28 10.459 -6.069 -6.146 1.00 1.18 N ATOM 396 CA GLU A 28 11.446 -5.473 -5.282 1.00 0.80 C ATOM 397 C GLU A 28 10.919 -5.501 -3.850 1.00 0.57 C ATOM 398 O GLU A 28 9.994 -6.249 -3.531 1.00 0.72 O ATOM 399 CB GLU A 28 11.717 -4.048 -5.762 1.00 1.09 C ATOM 400 CG GLU A 28 13.204 -3.738 -5.584 1.00 1.34 C ATOM 401 CD GLU A 28 13.452 -2.237 -5.475 1.00 1.81 C ATOM 402 OE1 GLU A 28 13.403 -1.563 -6.527 1.00 2.61 O ATOM 403 OE2 GLU A 28 13.668 -1.792 -4.326 1.00 2.89 O ATOM 0 H GLU A 28 9.500 -5.841 -5.882 1.00 1.18 H new ATOM 0 HA GLU A 28 12.386 -6.025 -5.309 1.00 0.80 H new ATOM 0 HB2 GLU A 28 11.433 -3.943 -6.809 1.00 1.09 H new ATOM 0 HB3 GLU A 28 11.114 -3.339 -5.195 1.00 1.09 H new ATOM 0 HG2 GLU A 28 13.576 -4.235 -4.688 1.00 1.34 H new ATOM 0 HG3 GLU A 28 13.764 -4.140 -6.428 1.00 1.34 H new ATOM 410 N ASP A 29 11.514 -4.688 -2.987 1.00 0.42 N ATOM 411 CA ASP A 29 11.174 -4.639 -1.578 1.00 0.36 C ATOM 412 C ASP A 29 9.791 -3.998 -1.422 1.00 0.37 C ATOM 413 O ASP A 29 9.478 -2.991 -2.060 1.00 0.55 O ATOM 414 CB ASP A 29 12.261 -3.863 -0.828 1.00 0.54 C ATOM 415 CG ASP A 29 12.279 -4.241 0.647 1.00 1.14 C ATOM 416 OD1 ASP A 29 11.370 -3.772 1.362 1.00 2.62 O ATOM 417 OD2 ASP A 29 13.195 -4.981 1.063 1.00 1.70 O ATOM 0 H ASP A 29 12.254 -4.038 -3.252 1.00 0.42 H new ATOM 0 HA ASP A 29 11.127 -5.641 -1.151 1.00 0.36 H new ATOM 0 HB2 ASP A 29 13.234 -4.071 -1.273 1.00 0.54 H new ATOM 0 HB3 ASP A 29 12.086 -2.792 -0.931 1.00 0.54 H new ATOM 422 N VAL A 30 8.926 -4.590 -0.602 1.00 0.37 N ATOM 423 CA VAL A 30 7.594 -4.056 -0.371 1.00 0.36 C ATOM 424 C VAL A 30 7.601 -3.181 0.881 1.00 0.34 C ATOM 425 O VAL A 30 8.595 -3.120 1.595 1.00 0.42 O ATOM 426 CB VAL A 30 6.577 -5.181 -0.243 1.00 0.40 C ATOM 427 CG1 VAL A 30 6.288 -5.807 -1.598 1.00 0.52 C ATOM 428 CG2 VAL A 30 7.020 -6.235 0.757 1.00 0.43 C ATOM 0 H VAL A 30 9.130 -5.445 -0.085 1.00 0.37 H new ATOM 0 HA VAL A 30 7.304 -3.444 -1.225 1.00 0.36 H new ATOM 0 HB VAL A 30 5.655 -4.742 0.137 1.00 0.40 H new ATOM 0 HG11 VAL A 30 5.559 -6.608 -1.480 1.00 0.52 H new ATOM 0 HG12 VAL A 30 5.889 -5.049 -2.271 1.00 0.52 H new ATOM 0 HG13 VAL A 30 7.209 -6.213 -2.015 1.00 0.52 H new ATOM 0 HG21 VAL A 30 6.265 -7.019 0.817 1.00 0.43 H new ATOM 0 HG22 VAL A 30 7.967 -6.667 0.435 1.00 0.43 H new ATOM 0 HG23 VAL A 30 7.146 -5.776 1.738 1.00 0.43 H new ATOM 438 N ARG A 31 6.493 -2.511 1.201 1.00 0.30 N ATOM 439 CA ARG A 31 6.411 -1.770 2.457 1.00 0.35 C ATOM 440 C ARG A 31 4.960 -1.573 2.861 1.00 0.33 C ATOM 441 O ARG A 31 4.077 -1.489 2.014 1.00 0.38 O ATOM 442 CB ARG A 31 7.140 -0.421 2.347 1.00 0.42 C ATOM 443 CG ARG A 31 8.100 -0.134 3.509 1.00 0.61 C ATOM 444 CD ARG A 31 9.286 -1.102 3.441 1.00 1.44 C ATOM 445 NE ARG A 31 10.369 -0.771 4.373 1.00 1.89 N ATOM 446 CZ ARG A 31 11.476 -1.518 4.476 1.00 2.67 C ATOM 447 NH1 ARG A 31 11.624 -2.605 3.721 1.00 3.34 N ATOM 448 NH2 ARG A 31 12.437 -1.182 5.339 1.00 3.06 N ATOM 0 H ARG A 31 5.656 -2.467 0.620 1.00 0.30 H new ATOM 0 HA ARG A 31 6.907 -2.353 3.233 1.00 0.35 H new ATOM 0 HB2 ARG A 31 7.700 -0.397 1.412 1.00 0.42 H new ATOM 0 HB3 ARG A 31 6.400 0.377 2.295 1.00 0.42 H new ATOM 0 HG2 ARG A 31 8.454 0.896 3.457 1.00 0.61 H new ATOM 0 HG3 ARG A 31 7.580 -0.245 4.461 1.00 0.61 H new ATOM 0 HD2 ARG A 31 8.933 -2.111 3.652 1.00 1.44 H new ATOM 0 HD3 ARG A 31 9.681 -1.108 2.425 1.00 1.44 H new ATOM 0 HE ARG A 31 10.276 0.056 4.963 1.00 1.89 H new ATOM 0 HH11 ARG A 31 10.893 -2.871 3.061 1.00 3.34 H new ATOM 0 HH12 ARG A 31 12.468 -3.171 3.802 1.00 3.34 H new ATOM 0 HH21 ARG A 31 12.330 -0.353 5.924 1.00 3.06 H new ATOM 0 HH22 ARG A 31 13.278 -1.754 5.414 1.00 3.06 H new ATOM 462 N ARG A 32 4.702 -1.476 4.163 1.00 0.37 N ATOM 463 CA ARG A 32 3.369 -1.216 4.654 1.00 0.40 C ATOM 464 C ARG A 32 3.227 0.244 5.005 1.00 0.37 C ATOM 465 O ARG A 32 4.213 0.899 5.341 1.00 0.44 O ATOM 466 CB ARG A 32 3.026 -2.109 5.852 1.00 0.58 C ATOM 467 CG ARG A 32 4.110 -2.188 6.935 1.00 0.72 C ATOM 468 CD ARG A 32 4.980 -3.435 6.739 1.00 1.43 C ATOM 469 NE ARG A 32 5.689 -3.781 7.972 1.00 1.71 N ATOM 470 CZ ARG A 32 6.937 -3.464 8.314 1.00 2.50 C ATOM 471 NH1 ARG A 32 7.742 -2.863 7.436 1.00 3.90 N ATOM 472 NH2 ARG A 32 7.377 -3.748 9.538 1.00 2.68 N ATOM 0 H ARG A 32 5.408 -1.575 4.892 1.00 0.37 H new ATOM 0 HA ARG A 32 2.659 -1.457 3.863 1.00 0.40 H new ATOM 0 HB2 ARG A 32 2.106 -1.743 6.307 1.00 0.58 H new ATOM 0 HB3 ARG A 32 2.823 -3.116 5.488 1.00 0.58 H new ATOM 0 HG2 ARG A 32 4.733 -1.294 6.899 1.00 0.72 H new ATOM 0 HG3 ARG A 32 3.645 -2.214 7.921 1.00 0.72 H new ATOM 0 HD2 ARG A 32 4.356 -4.273 6.427 1.00 1.43 H new ATOM 0 HD3 ARG A 32 5.699 -3.259 5.939 1.00 1.43 H new ATOM 0 HE ARG A 32 5.164 -4.331 8.652 1.00 1.71 H new ATOM 0 HH11 ARG A 32 7.403 -2.645 6.499 1.00 3.90 H new ATOM 0 HH12 ARG A 32 8.697 -2.622 7.702 1.00 3.90 H new ATOM 0 HH21 ARG A 32 6.760 -4.206 10.208 1.00 2.68 H new ATOM 0 HH22 ARG A 32 8.332 -3.508 9.805 1.00 2.68 H new ATOM 486 N LEU A 33 1.995 0.744 4.939 1.00 0.35 N ATOM 487 CA LEU A 33 1.719 2.038 5.540 1.00 0.36 C ATOM 488 C LEU A 33 1.733 1.830 7.055 1.00 0.37 C ATOM 489 O LEU A 33 1.343 0.754 7.508 1.00 0.43 O ATOM 490 CB LEU A 33 0.368 2.639 5.115 1.00 0.45 C ATOM 491 CG LEU A 33 -0.043 2.390 3.668 1.00 0.46 C ATOM 492 CD1 LEU A 33 -0.858 1.103 3.518 1.00 0.82 C ATOM 493 CD2 LEU A 33 -0.843 3.571 3.123 1.00 0.96 C ATOM 0 H LEU A 33 1.200 0.289 4.491 1.00 0.35 H new ATOM 0 HA LEU A 33 2.476 2.747 5.205 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -0.408 2.238 5.767 1.00 0.45 H new ATOM 0 HB3 LEU A 33 0.401 3.715 5.283 1.00 0.45 H new ATOM 0 HG LEU A 33 0.875 2.278 3.091 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -1.130 0.964 2.472 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -0.263 0.254 3.854 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -1.763 1.173 4.122 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -1.126 3.373 2.089 1.00 0.96 H new ATOM 0 HD22 LEU A 33 -1.741 3.711 3.725 1.00 0.96 H new ATOM 0 HD23 LEU A 33 -0.234 4.474 3.165 1.00 0.96 H new ATOM 505 N PRO A 34 2.070 2.849 7.858 1.00 0.44 N ATOM 506 CA PRO A 34 2.067 2.737 9.313 1.00 0.54 C ATOM 507 C PRO A 34 0.692 2.408 9.927 1.00 0.54 C ATOM 508 O PRO A 34 0.603 2.220 11.135 1.00 0.68 O ATOM 509 CB PRO A 34 2.656 4.049 9.847 1.00 0.68 C ATOM 510 CG PRO A 34 2.746 5.002 8.651 1.00 0.59 C ATOM 511 CD PRO A 34 2.599 4.124 7.408 1.00 0.49 C ATOM 0 HA PRO A 34 2.671 1.880 9.612 1.00 0.54 H new ATOM 0 HB2 PRO A 34 2.024 4.468 10.630 1.00 0.68 H new ATOM 0 HB3 PRO A 34 3.640 3.883 10.286 1.00 0.68 H new ATOM 0 HG2 PRO A 34 1.960 5.757 8.692 1.00 0.59 H new ATOM 0 HG3 PRO A 34 3.698 5.533 8.645 1.00 0.59 H new ATOM 0 HD2 PRO A 34 1.929 4.587 6.684 1.00 0.49 H new ATOM 0 HD3 PRO A 34 3.561 3.991 6.912 1.00 0.49 H new ATOM 519 N CYS A 35 -0.367 2.320 9.113 1.00 0.49 N ATOM 520 CA CYS A 35 -1.701 1.891 9.498 1.00 0.56 C ATOM 521 C CYS A 35 -1.689 0.446 10.016 1.00 0.64 C ATOM 522 O CYS A 35 -2.140 0.200 11.130 1.00 0.92 O ATOM 523 CB CYS A 35 -2.596 2.000 8.256 1.00 0.62 C ATOM 524 SG CYS A 35 -4.194 1.173 8.499 1.00 1.32 S ATOM 0 H CYS A 35 -0.306 2.559 8.123 1.00 0.49 H new ATOM 0 HA CYS A 35 -2.076 2.521 10.305 1.00 0.56 H new ATOM 0 HB2 CYS A 35 -2.763 3.051 8.020 1.00 0.62 H new ATOM 0 HB3 CYS A 35 -2.085 1.559 7.400 1.00 0.62 H new ATOM 529 N MET A 36 -1.285 -0.504 9.159 1.00 0.52 N ATOM 530 CA MET A 36 -1.563 -1.942 9.251 1.00 0.64 C ATOM 531 C MET A 36 -1.599 -2.561 7.857 1.00 0.67 C ATOM 532 O MET A 36 -1.152 -3.686 7.669 1.00 1.05 O ATOM 533 CB MET A 36 -2.889 -2.263 9.977 1.00 0.70 C ATOM 534 CG MET A 36 -3.325 -3.724 9.780 1.00 2.07 C ATOM 535 SD MET A 36 -4.841 -4.199 10.648 1.00 2.80 S ATOM 536 CE MET A 36 -6.065 -3.489 9.519 1.00 4.71 C ATOM 0 H MET A 36 -0.725 -0.275 8.338 1.00 0.52 H new ATOM 0 HA MET A 36 -0.754 -2.370 9.843 1.00 0.64 H new ATOM 0 HB2 MET A 36 -2.775 -2.061 11.042 1.00 0.70 H new ATOM 0 HB3 MET A 36 -3.672 -1.600 9.609 1.00 0.70 H new ATOM 0 HG2 MET A 36 -3.464 -3.904 8.714 1.00 2.07 H new ATOM 0 HG3 MET A 36 -2.516 -4.376 10.111 1.00 2.07 H new ATOM 0 HE1 MET A 36 -7.068 -3.687 9.898 1.00 4.71 H new ATOM 0 HE2 MET A 36 -5.911 -2.413 9.445 1.00 4.71 H new ATOM 0 HE3 MET A 36 -5.955 -3.940 8.533 1.00 4.71 H new ATOM 546 N HIS A 37 -2.238 -1.903 6.887 1.00 0.48 N ATOM 547 CA HIS A 37 -2.333 -2.467 5.546 1.00 0.47 C ATOM 548 C HIS A 37 -0.968 -2.402 4.843 1.00 0.37 C ATOM 549 O HIS A 37 -0.199 -1.467 5.078 1.00 0.39 O ATOM 550 CB HIS A 37 -3.414 -1.722 4.757 1.00 0.53 C ATOM 551 CG HIS A 37 -4.811 -1.840 5.357 1.00 0.63 C ATOM 552 ND1 HIS A 37 -5.576 -0.932 6.127 1.00 0.53 N ATOM 553 CD2 HIS A 37 -5.545 -2.979 5.205 1.00 0.88 C ATOM 554 CE1 HIS A 37 -6.708 -1.581 6.434 1.00 0.67 C ATOM 555 NE2 HIS A 37 -6.722 -2.811 5.894 1.00 0.89 N ATOM 0 H HIS A 37 -2.689 -0.996 7.004 1.00 0.48 H new ATOM 0 HA HIS A 37 -2.617 -3.518 5.607 1.00 0.47 H new ATOM 0 HB2 HIS A 37 -3.144 -0.668 4.696 1.00 0.53 H new ATOM 0 HB3 HIS A 37 -3.434 -2.105 3.737 1.00 0.53 H new ATOM 0 HD2 HIS A 37 -5.254 -3.855 4.644 1.00 0.88 H new ATOM 0 HE1 HIS A 37 -7.504 -1.169 7.036 1.00 0.67 H new ATOM 0 HE2 HIS A 37 -7.472 -3.497 5.980 1.00 0.89 H new ATOM 563 N LEU A 38 -0.675 -3.365 3.960 1.00 0.35 N ATOM 564 CA LEU A 38 0.626 -3.480 3.289 1.00 0.30 C ATOM 565 C LEU A 38 0.510 -3.387 1.769 1.00 0.24 C ATOM 566 O LEU A 38 -0.507 -3.785 1.211 1.00 0.26 O ATOM 567 CB LEU A 38 1.321 -4.774 3.731 1.00 0.38 C ATOM 568 CG LEU A 38 2.726 -5.004 3.152 1.00 0.44 C ATOM 569 CD1 LEU A 38 3.531 -5.932 4.067 1.00 0.97 C ATOM 570 CD2 LEU A 38 2.713 -5.645 1.759 1.00 0.75 C ATOM 0 H LEU A 38 -1.338 -4.091 3.689 1.00 0.35 H new ATOM 0 HA LEU A 38 1.239 -2.631 3.590 1.00 0.30 H new ATOM 0 HB2 LEU A 38 1.391 -4.774 4.819 1.00 0.38 H new ATOM 0 HB3 LEU A 38 0.690 -5.618 3.452 1.00 0.38 H new ATOM 0 HG LEU A 38 3.176 -4.014 3.078 1.00 0.44 H new ATOM 0 HD11 LEU A 38 4.524 -6.087 3.645 1.00 0.97 H new ATOM 0 HD12 LEU A 38 3.622 -5.480 5.054 1.00 0.97 H new ATOM 0 HD13 LEU A 38 3.020 -6.891 4.153 1.00 0.97 H new ATOM 0 HD21 LEU A 38 3.737 -5.779 1.410 1.00 0.75 H new ATOM 0 HD22 LEU A 38 2.217 -6.614 1.809 1.00 0.75 H new ATOM 0 HD23 LEU A 38 2.175 -4.998 1.066 1.00 0.75 H new ATOM 582 N PHE A 39 1.564 -2.881 1.110 1.00 0.22 N ATOM 583 CA PHE A 39 1.618 -2.690 -0.348 1.00 0.21 C ATOM 584 C PHE A 39 3.046 -2.794 -0.898 1.00 0.21 C ATOM 585 O PHE A 39 3.961 -3.147 -0.170 1.00 0.25 O ATOM 586 CB PHE A 39 1.008 -1.323 -0.692 1.00 0.23 C ATOM 587 CG PHE A 39 -0.498 -1.354 -0.647 1.00 0.24 C ATOM 588 CD1 PHE A 39 -1.198 -2.197 -1.527 1.00 2.14 C ATOM 589 CD2 PHE A 39 -1.191 -0.620 0.325 1.00 1.96 C ATOM 590 CE1 PHE A 39 -2.596 -2.283 -1.459 1.00 2.15 C ATOM 591 CE2 PHE A 39 -2.589 -0.714 0.401 1.00 1.95 C ATOM 592 CZ PHE A 39 -3.291 -1.513 -0.520 1.00 0.29 C ATOM 0 H PHE A 39 2.418 -2.588 1.584 1.00 0.22 H new ATOM 0 HA PHE A 39 1.045 -3.489 -0.819 1.00 0.21 H new ATOM 0 HB2 PHE A 39 1.377 -0.574 0.008 1.00 0.23 H new ATOM 0 HB3 PHE A 39 1.336 -1.019 -1.686 1.00 0.23 H new ATOM 0 HD1 PHE A 39 -0.658 -2.780 -2.258 1.00 2.14 H new ATOM 0 HD2 PHE A 39 -0.652 0.015 1.012 1.00 1.96 H new ATOM 0 HE1 PHE A 39 -3.133 -2.940 -2.127 1.00 2.15 H new ATOM 0 HE2 PHE A 39 -3.126 -0.173 1.166 1.00 1.95 H new ATOM 0 HZ PHE A 39 -4.371 -1.532 -0.502 1.00 0.29 H new ATOM 602 N HIS A 40 3.284 -2.498 -2.185 1.00 0.22 N ATOM 603 CA HIS A 40 4.657 -2.293 -2.638 1.00 0.29 C ATOM 604 C HIS A 40 5.229 -1.067 -1.940 1.00 0.27 C ATOM 605 O HIS A 40 4.504 -0.106 -1.706 1.00 0.23 O ATOM 606 CB HIS A 40 4.754 -2.031 -4.144 1.00 0.45 C ATOM 607 CG HIS A 40 4.459 -3.162 -5.090 1.00 0.38 C ATOM 608 ND1 HIS A 40 3.384 -3.195 -5.986 1.00 0.40 N ATOM 609 CD2 HIS A 40 5.359 -4.139 -5.413 1.00 0.47 C ATOM 610 CE1 HIS A 40 3.674 -4.187 -6.848 1.00 0.54 C ATOM 611 NE2 HIS A 40 4.835 -4.784 -6.512 1.00 0.60 N ATOM 0 H HIS A 40 2.568 -2.399 -2.904 1.00 0.22 H new ATOM 0 HA HIS A 40 5.204 -3.206 -2.404 1.00 0.29 H new ATOM 0 HB2 HIS A 40 4.074 -1.213 -4.383 1.00 0.45 H new ATOM 0 HB3 HIS A 40 5.763 -1.678 -4.355 1.00 0.45 H new ATOM 0 HD2 HIS A 40 6.289 -4.360 -4.910 1.00 0.47 H new ATOM 0 HE1 HIS A 40 3.061 -4.466 -7.692 1.00 0.54 H new ATOM 0 HE2 HIS A 40 5.255 -5.580 -6.991 1.00 0.60 H new ATOM 619 N GLN A 41 6.541 -1.043 -1.713 1.00 0.35 N ATOM 620 CA GLN A 41 7.229 0.142 -1.237 1.00 0.35 C ATOM 621 C GLN A 41 7.019 1.276 -2.224 1.00 0.32 C ATOM 622 O GLN A 41 6.511 2.335 -1.870 1.00 0.30 O ATOM 623 CB GLN A 41 8.729 -0.163 -1.078 1.00 0.40 C ATOM 624 CG GLN A 41 9.531 1.009 -0.493 1.00 0.50 C ATOM 625 CD GLN A 41 11.010 0.901 -0.851 1.00 1.11 C ATOM 626 OE1 GLN A 41 11.572 1.812 -1.443 1.00 1.84 O ATOM 627 NE2 GLN A 41 11.666 -0.202 -0.516 1.00 2.16 N ATOM 0 H GLN A 41 7.152 -1.848 -1.856 1.00 0.35 H new ATOM 0 HA GLN A 41 6.828 0.439 -0.268 1.00 0.35 H new ATOM 0 HB2 GLN A 41 8.849 -1.033 -0.433 1.00 0.40 H new ATOM 0 HB3 GLN A 41 9.144 -0.428 -2.051 1.00 0.40 H new ATOM 0 HG2 GLN A 41 9.131 1.950 -0.870 1.00 0.50 H new ATOM 0 HG3 GLN A 41 9.417 1.025 0.591 1.00 0.50 H new ATOM 0 HE21 GLN A 41 11.183 -0.953 -0.022 1.00 2.16 H new ATOM 0 HE22 GLN A 41 12.654 -0.300 -0.752 1.00 2.16 H new ATOM 636 N VAL A 42 7.384 1.040 -3.480 1.00 0.35 N ATOM 637 CA VAL A 42 7.299 2.086 -4.495 1.00 0.35 C ATOM 638 C VAL A 42 5.866 2.596 -4.640 1.00 0.33 C ATOM 639 O VAL A 42 5.640 3.743 -5.022 1.00 0.36 O ATOM 640 CB VAL A 42 7.910 1.587 -5.815 1.00 0.41 C ATOM 641 CG1 VAL A 42 6.890 1.176 -6.883 1.00 0.44 C ATOM 642 CG2 VAL A 42 8.851 2.651 -6.387 1.00 0.51 C ATOM 0 H VAL A 42 7.738 0.145 -3.818 1.00 0.35 H new ATOM 0 HA VAL A 42 7.887 2.948 -4.180 1.00 0.35 H new ATOM 0 HB VAL A 42 8.453 0.677 -5.558 1.00 0.41 H new ATOM 0 HG11 VAL A 42 7.415 0.839 -7.777 1.00 0.44 H new ATOM 0 HG12 VAL A 42 6.268 0.367 -6.500 1.00 0.44 H new ATOM 0 HG13 VAL A 42 6.260 2.030 -7.133 1.00 0.44 H new ATOM 0 HG21 VAL A 42 9.281 2.292 -7.322 1.00 0.51 H new ATOM 0 HG22 VAL A 42 8.293 3.568 -6.573 1.00 0.51 H new ATOM 0 HG23 VAL A 42 9.650 2.851 -5.674 1.00 0.51 H new ATOM 652 N CYS A 43 4.890 1.745 -4.314 1.00 0.30 N ATOM 653 CA CYS A 43 3.506 2.174 -4.380 1.00 0.29 C ATOM 654 C CYS A 43 3.177 3.032 -3.173 1.00 0.27 C ATOM 655 O CYS A 43 2.449 4.004 -3.314 1.00 0.28 O ATOM 656 CB CYS A 43 2.577 0.975 -4.319 1.00 0.29 C ATOM 657 SG CYS A 43 2.502 0.179 -5.956 1.00 0.29 S ATOM 0 H CYS A 43 5.033 0.782 -4.010 1.00 0.30 H new ATOM 0 HA CYS A 43 3.374 2.724 -5.312 1.00 0.29 H new ATOM 0 HB2 CYS A 43 2.932 0.264 -3.573 1.00 0.29 H new ATOM 0 HB3 CYS A 43 1.580 1.289 -4.010 1.00 0.29 H new ATOM 662 N VAL A 44 3.639 2.661 -1.977 1.00 0.26 N ATOM 663 CA VAL A 44 3.317 3.386 -0.764 1.00 0.26 C ATOM 664 C VAL A 44 3.763 4.835 -0.915 1.00 0.28 C ATOM 665 O VAL A 44 3.140 5.730 -0.352 1.00 0.27 O ATOM 666 CB VAL A 44 3.957 2.660 0.435 1.00 0.28 C ATOM 667 CG1 VAL A 44 5.226 3.311 0.984 1.00 0.33 C ATOM 668 CG2 VAL A 44 2.929 2.531 1.552 1.00 0.28 C ATOM 0 H VAL A 44 4.243 1.852 -1.831 1.00 0.26 H new ATOM 0 HA VAL A 44 2.243 3.409 -0.582 1.00 0.26 H new ATOM 0 HB VAL A 44 4.268 1.686 0.058 1.00 0.28 H new ATOM 0 HG11 VAL A 44 5.600 2.727 1.825 1.00 0.33 H new ATOM 0 HG12 VAL A 44 5.984 3.347 0.202 1.00 0.33 H new ATOM 0 HG13 VAL A 44 5.000 4.324 1.318 1.00 0.33 H new ATOM 0 HG21 VAL A 44 3.378 2.018 2.402 1.00 0.28 H new ATOM 0 HG22 VAL A 44 2.600 3.523 1.860 1.00 0.28 H new ATOM 0 HG23 VAL A 44 2.073 1.959 1.194 1.00 0.28 H new ATOM 678 N ASP A 45 4.826 5.038 -1.694 1.00 0.31 N ATOM 679 CA ASP A 45 5.369 6.355 -2.006 1.00 0.33 C ATOM 680 C ASP A 45 4.398 7.129 -2.889 1.00 0.34 C ATOM 681 O ASP A 45 3.729 8.038 -2.408 1.00 0.36 O ATOM 682 CB ASP A 45 6.741 6.235 -2.679 1.00 0.38 C ATOM 683 CG ASP A 45 7.162 7.585 -3.259 1.00 0.51 C ATOM 684 OD1 ASP A 45 7.400 8.502 -2.446 1.00 1.64 O ATOM 685 OD2 ASP A 45 7.173 7.690 -4.505 1.00 1.62 O ATOM 0 H ASP A 45 5.342 4.275 -2.133 1.00 0.31 H new ATOM 0 HA ASP A 45 5.502 6.904 -1.074 1.00 0.33 H new ATOM 0 HB2 ASP A 45 7.481 5.895 -1.955 1.00 0.38 H new ATOM 0 HB3 ASP A 45 6.702 5.487 -3.471 1.00 0.38 H new ATOM 690 N GLN A 46 4.287 6.777 -4.174 1.00 0.36 N ATOM 691 CA GLN A 46 3.463 7.547 -5.102 1.00 0.41 C ATOM 692 C GLN A 46 2.026 7.680 -4.594 1.00 0.38 C ATOM 693 O GLN A 46 1.356 8.680 -4.845 1.00 0.48 O ATOM 694 CB GLN A 46 3.497 6.924 -6.501 1.00 0.47 C ATOM 695 CG GLN A 46 4.896 7.024 -7.127 1.00 1.23 C ATOM 696 CD GLN A 46 4.822 7.549 -8.557 1.00 1.68 C ATOM 697 OE1 GLN A 46 4.664 6.793 -9.507 1.00 1.56 O ATOM 698 NE2 GLN A 46 4.906 8.861 -8.735 1.00 3.17 N ATOM 0 H GLN A 46 4.754 5.971 -4.589 1.00 0.36 H new ATOM 0 HA GLN A 46 3.881 8.551 -5.166 1.00 0.41 H new ATOM 0 HB2 GLN A 46 3.197 5.878 -6.442 1.00 0.47 H new ATOM 0 HB3 GLN A 46 2.773 7.427 -7.142 1.00 0.47 H new ATOM 0 HG2 GLN A 46 5.520 7.685 -6.526 1.00 1.23 H new ATOM 0 HG3 GLN A 46 5.371 6.043 -7.121 1.00 1.23 H new ATOM 0 HE21 GLN A 46 5.038 9.477 -7.933 1.00 3.17 H new ATOM 0 HE22 GLN A 46 4.839 9.254 -9.674 1.00 3.17 H new ATOM 707 N TRP A 47 1.554 6.683 -3.852 1.00 0.29 N ATOM 708 CA TRP A 47 0.264 6.721 -3.204 1.00 0.27 C ATOM 709 C TRP A 47 0.196 7.823 -2.162 1.00 0.30 C ATOM 710 O TRP A 47 -0.702 8.650 -2.209 1.00 0.37 O ATOM 711 CB TRP A 47 -0.031 5.370 -2.571 1.00 0.25 C ATOM 712 CG TRP A 47 -1.419 5.267 -2.056 1.00 0.26 C ATOM 713 CD1 TRP A 47 -1.784 5.029 -0.779 1.00 0.28 C ATOM 714 CD2 TRP A 47 -2.647 5.448 -2.812 1.00 0.29 C ATOM 715 NE1 TRP A 47 -3.160 5.006 -0.706 1.00 0.31 N ATOM 716 CE2 TRP A 47 -3.738 5.200 -1.940 1.00 0.31 C ATOM 717 CE3 TRP A 47 -2.951 5.785 -4.147 1.00 0.33 C ATOM 718 CZ2 TRP A 47 -5.061 5.218 -2.385 1.00 0.37 C ATOM 719 CZ3 TRP A 47 -4.281 5.905 -4.578 1.00 0.40 C ATOM 720 CH2 TRP A 47 -5.341 5.592 -3.709 1.00 0.42 C ATOM 0 H TRP A 47 2.070 5.819 -3.687 1.00 0.29 H new ATOM 0 HA TRP A 47 -0.492 6.939 -3.959 1.00 0.27 H new ATOM 0 HB2 TRP A 47 0.138 4.584 -3.307 1.00 0.25 H new ATOM 0 HB3 TRP A 47 0.669 5.196 -1.754 1.00 0.25 H new ATOM 0 HD1 TRP A 47 -1.108 4.881 0.050 1.00 0.28 H new ATOM 0 HE1 TRP A 47 -3.685 4.863 0.156 1.00 0.31 H new ATOM 0 HE3 TRP A 47 -2.148 5.953 -4.849 1.00 0.33 H new ATOM 0 HZ2 TRP A 47 -5.864 4.946 -1.715 1.00 0.37 H new ATOM 0 HZ3 TRP A 47 -4.492 6.240 -5.583 1.00 0.40 H new ATOM 0 HH2 TRP A 47 -6.362 5.639 -4.057 1.00 0.42 H new ATOM 731 N LEU A 48 1.139 7.859 -1.225 1.00 0.29 N ATOM 732 CA LEU A 48 1.272 8.951 -0.281 1.00 0.31 C ATOM 733 C LEU A 48 1.260 10.314 -0.978 1.00 0.35 C ATOM 734 O LEU A 48 0.713 11.266 -0.424 1.00 0.43 O ATOM 735 CB LEU A 48 2.545 8.749 0.554 1.00 0.27 C ATOM 736 CG LEU A 48 2.265 8.130 1.930 1.00 0.32 C ATOM 737 CD1 LEU A 48 3.596 7.900 2.646 1.00 0.35 C ATOM 738 CD2 LEU A 48 1.396 9.035 2.812 1.00 0.41 C ATOM 0 H LEU A 48 1.835 7.123 -1.103 1.00 0.29 H new ATOM 0 HA LEU A 48 0.409 8.945 0.385 1.00 0.31 H new ATOM 0 HB2 LEU A 48 3.235 8.107 0.006 1.00 0.27 H new ATOM 0 HB3 LEU A 48 3.042 9.710 0.688 1.00 0.27 H new ATOM 0 HG LEU A 48 1.726 7.196 1.767 1.00 0.32 H new ATOM 0 HD11 LEU A 48 3.411 7.460 3.626 1.00 0.35 H new ATOM 0 HD12 LEU A 48 4.215 7.224 2.056 1.00 0.35 H new ATOM 0 HD13 LEU A 48 4.113 8.852 2.768 1.00 0.35 H new ATOM 0 HD21 LEU A 48 1.227 8.552 3.774 1.00 0.41 H new ATOM 0 HD22 LEU A 48 1.904 9.987 2.968 1.00 0.41 H new ATOM 0 HD23 LEU A 48 0.439 9.211 2.321 1.00 0.41 H new ATOM 750 N ILE A 49 1.844 10.442 -2.173 1.00 0.34 N ATOM 751 CA ILE A 49 1.768 11.680 -2.926 1.00 0.39 C ATOM 752 C ILE A 49 0.318 11.992 -3.320 1.00 0.40 C ATOM 753 O ILE A 49 -0.081 13.153 -3.252 1.00 0.55 O ATOM 754 CB ILE A 49 2.714 11.625 -4.130 1.00 0.44 C ATOM 755 CG1 ILE A 49 4.131 11.203 -3.738 1.00 0.56 C ATOM 756 CG2 ILE A 49 2.734 12.965 -4.867 1.00 0.61 C ATOM 757 CD1 ILE A 49 4.752 12.087 -2.668 1.00 0.92 C ATOM 0 H ILE A 49 2.372 9.700 -2.632 1.00 0.34 H new ATOM 0 HA ILE A 49 2.099 12.505 -2.296 1.00 0.39 H new ATOM 0 HB ILE A 49 2.327 10.860 -4.803 1.00 0.44 H new ATOM 0 HG12 ILE A 49 4.109 10.174 -3.380 1.00 0.56 H new ATOM 0 HG13 ILE A 49 4.765 11.219 -4.625 1.00 0.56 H new ATOM 0 HG21 ILE A 49 3.412 12.902 -5.718 1.00 0.61 H new ATOM 0 HG22 ILE A 49 1.730 13.201 -5.220 1.00 0.61 H new ATOM 0 HG23 ILE A 49 3.074 13.748 -4.189 1.00 0.61 H new ATOM 0 HD11 ILE A 49 5.756 11.730 -2.439 1.00 0.92 H new ATOM 0 HD12 ILE A 49 4.806 13.114 -3.030 1.00 0.92 H new ATOM 0 HD13 ILE A 49 4.140 12.052 -1.767 1.00 0.92 H new ATOM 769 N THR A 50 -0.469 11.003 -3.756 1.00 0.40 N ATOM 770 CA THR A 50 -1.857 11.230 -4.129 1.00 0.51 C ATOM 771 C THR A 50 -2.755 11.186 -2.887 1.00 0.40 C ATOM 772 O THR A 50 -3.182 12.221 -2.376 1.00 0.47 O ATOM 773 CB THR A 50 -2.286 10.222 -5.210 1.00 0.71 C ATOM 774 OG1 THR A 50 -2.054 8.889 -4.808 1.00 1.92 O ATOM 775 CG2 THR A 50 -1.504 10.443 -6.506 1.00 1.70 C ATOM 0 H THR A 50 -0.161 10.036 -3.857 1.00 0.40 H new ATOM 0 HA THR A 50 -1.963 12.225 -4.560 1.00 0.51 H new ATOM 0 HB THR A 50 -3.352 10.384 -5.366 1.00 0.71 H new ATOM 0 HG1 THR A 50 -2.879 8.369 -4.907 1.00 1.92 H new ATOM 0 HG21 THR A 50 -1.826 9.718 -7.253 1.00 1.70 H new ATOM 0 HG22 THR A 50 -1.689 11.452 -6.875 1.00 1.70 H new ATOM 0 HG23 THR A 50 -0.438 10.317 -6.314 1.00 1.70 H new ATOM 783 N ASN A 51 -3.074 9.990 -2.397 1.00 0.35 N ATOM 784 CA ASN A 51 -3.948 9.786 -1.259 1.00 0.33 C ATOM 785 C ASN A 51 -3.117 9.653 0.014 1.00 0.46 C ATOM 786 O ASN A 51 -2.543 8.602 0.282 1.00 1.07 O ATOM 787 CB ASN A 51 -4.753 8.500 -1.468 1.00 0.67 C ATOM 788 CG ASN A 51 -5.979 8.708 -2.345 1.00 1.93 C ATOM 789 OD1 ASN A 51 -5.922 9.355 -3.381 1.00 3.15 O ATOM 790 ND2 ASN A 51 -7.124 8.175 -1.937 1.00 2.51 N ATOM 0 H ASN A 51 -2.720 9.120 -2.794 1.00 0.35 H new ATOM 0 HA ASN A 51 -4.622 10.638 -1.164 1.00 0.33 H new ATOM 0 HB2 ASN A 51 -4.111 7.745 -1.922 1.00 0.67 H new ATOM 0 HB3 ASN A 51 -5.067 8.112 -0.499 1.00 0.67 H new ATOM 0 HD21 ASN A 51 -7.972 8.303 -2.490 1.00 2.51 H new ATOM 0 HD22 ASN A 51 -7.156 7.638 -1.071 1.00 2.51 H new ATOM 797 N LYS A 52 -3.158 10.660 0.890 1.00 0.44 N ATOM 798 CA LYS A 52 -2.546 10.565 2.220 1.00 0.59 C ATOM 799 C LYS A 52 -3.431 9.780 3.194 1.00 0.48 C ATOM 800 O LYS A 52 -3.466 10.073 4.387 1.00 0.45 O ATOM 801 CB LYS A 52 -2.269 11.971 2.767 1.00 0.87 C ATOM 802 CG LYS A 52 -1.439 12.788 1.775 1.00 1.81 C ATOM 803 CD LYS A 52 -1.049 14.141 2.366 1.00 2.10 C ATOM 804 CE LYS A 52 -0.623 15.051 1.211 1.00 3.18 C ATOM 805 NZ LYS A 52 -0.190 16.376 1.695 1.00 4.08 N ATOM 0 H LYS A 52 -3.610 11.555 0.702 1.00 0.44 H new ATOM 0 HA LYS A 52 -1.605 10.023 2.121 1.00 0.59 H new ATOM 0 HB2 LYS A 52 -3.212 12.481 2.965 1.00 0.87 H new ATOM 0 HB3 LYS A 52 -1.740 11.898 3.717 1.00 0.87 H new ATOM 0 HG2 LYS A 52 -0.540 12.233 1.505 1.00 1.81 H new ATOM 0 HG3 LYS A 52 -2.008 12.939 0.858 1.00 1.81 H new ATOM 0 HD2 LYS A 52 -1.889 14.578 2.907 1.00 2.10 H new ATOM 0 HD3 LYS A 52 -0.235 14.025 3.081 1.00 2.10 H new ATOM 0 HE2 LYS A 52 0.190 14.581 0.658 1.00 3.18 H new ATOM 0 HE3 LYS A 52 -1.454 15.171 0.516 1.00 3.18 H new ATOM 0 HZ1 LYS A 52 -0.598 17.117 1.090 1.00 4.08 H new ATOM 0 HZ2 LYS A 52 -0.514 16.511 2.674 1.00 4.08 H new ATOM 0 HZ3 LYS A 52 0.848 16.435 1.663 1.00 4.08 H new ATOM 819 N LYS A 53 -4.176 8.788 2.708 1.00 0.48 N ATOM 820 CA LYS A 53 -5.138 8.032 3.478 1.00 0.40 C ATOM 821 C LYS A 53 -4.996 6.591 3.036 1.00 0.40 C ATOM 822 O LYS A 53 -4.548 6.320 1.918 1.00 0.49 O ATOM 823 CB LYS A 53 -6.562 8.536 3.210 1.00 0.48 C ATOM 824 CG LYS A 53 -6.712 10.053 3.402 1.00 0.69 C ATOM 825 CD LYS A 53 -8.172 10.495 3.238 1.00 0.96 C ATOM 826 CE LYS A 53 -8.929 10.379 4.566 1.00 1.87 C ATOM 827 NZ LYS A 53 -8.980 11.675 5.275 1.00 2.69 N ATOM 0 H LYS A 53 -4.118 8.486 1.735 1.00 0.48 H new ATOM 0 HA LYS A 53 -4.957 8.139 4.548 1.00 0.40 H new ATOM 0 HB2 LYS A 53 -6.847 8.275 2.191 1.00 0.48 H new ATOM 0 HB3 LYS A 53 -7.254 8.021 3.876 1.00 0.48 H new ATOM 0 HG2 LYS A 53 -6.354 10.333 4.393 1.00 0.69 H new ATOM 0 HG3 LYS A 53 -6.088 10.577 2.678 1.00 0.69 H new ATOM 0 HD2 LYS A 53 -8.207 11.525 2.883 1.00 0.96 H new ATOM 0 HD3 LYS A 53 -8.660 9.880 2.481 1.00 0.96 H new ATOM 0 HE2 LYS A 53 -9.943 10.025 4.378 1.00 1.87 H new ATOM 0 HE3 LYS A 53 -8.444 9.636 5.199 1.00 1.87 H new ATOM 0 HZ1 LYS A 53 -8.875 11.516 6.297 1.00 2.69 H new ATOM 0 HZ2 LYS A 53 -8.208 12.285 4.939 1.00 2.69 H new ATOM 0 HZ3 LYS A 53 -9.893 12.137 5.088 1.00 2.69 H new ATOM 841 N CYS A 54 -5.387 5.662 3.898 1.00 0.35 N ATOM 842 CA CYS A 54 -5.284 4.262 3.523 1.00 0.32 C ATOM 843 C CYS A 54 -6.225 4.039 2.337 1.00 0.34 C ATOM 844 O CYS A 54 -7.359 4.507 2.393 1.00 0.40 O ATOM 845 CB CYS A 54 -5.746 3.394 4.689 1.00 0.46 C ATOM 846 SG CYS A 54 -4.453 2.217 5.166 1.00 1.10 S ATOM 0 H CYS A 54 -5.765 5.843 4.828 1.00 0.35 H new ATOM 0 HA CYS A 54 -4.257 4.004 3.266 1.00 0.32 H new ATOM 0 HB2 CYS A 54 -6.001 4.026 5.540 1.00 0.46 H new ATOM 0 HB3 CYS A 54 -6.651 2.854 4.410 1.00 0.46 H new ATOM 851 N PRO A 55 -5.832 3.290 1.299 1.00 0.34 N ATOM 852 CA PRO A 55 -6.768 2.926 0.256 1.00 0.36 C ATOM 853 C PRO A 55 -7.890 2.042 0.813 1.00 0.43 C ATOM 854 O PRO A 55 -9.027 2.156 0.369 1.00 0.64 O ATOM 855 CB PRO A 55 -5.959 2.199 -0.817 1.00 0.38 C ATOM 856 CG PRO A 55 -4.535 2.082 -0.294 1.00 0.60 C ATOM 857 CD PRO A 55 -4.561 2.607 1.141 1.00 0.34 C ATOM 0 HA PRO A 55 -7.256 3.806 -0.163 1.00 0.36 H new ATOM 0 HB2 PRO A 55 -6.379 1.213 -1.016 1.00 0.38 H new ATOM 0 HB3 PRO A 55 -5.981 2.750 -1.757 1.00 0.38 H new ATOM 0 HG2 PRO A 55 -4.194 1.047 -0.323 1.00 0.60 H new ATOM 0 HG3 PRO A 55 -3.846 2.662 -0.908 1.00 0.60 H new ATOM 0 HD2 PRO A 55 -4.467 1.790 1.856 1.00 0.34 H new ATOM 0 HD3 PRO A 55 -3.728 3.287 1.322 1.00 0.34 H new ATOM 865 N ILE A 56 -7.577 1.141 1.757 1.00 0.40 N ATOM 866 CA ILE A 56 -8.563 0.244 2.339 1.00 0.47 C ATOM 867 C ILE A 56 -9.392 1.017 3.358 1.00 0.58 C ATOM 868 O ILE A 56 -10.543 1.360 3.106 1.00 0.76 O ATOM 869 CB ILE A 56 -7.916 -1.001 2.974 1.00 0.50 C ATOM 870 CG1 ILE A 56 -7.050 -1.795 1.990 1.00 0.51 C ATOM 871 CG2 ILE A 56 -9.030 -1.929 3.472 1.00 0.67 C ATOM 872 CD1 ILE A 56 -5.648 -1.207 1.845 1.00 1.22 C ATOM 0 H ILE A 56 -6.636 1.021 2.131 1.00 0.40 H new ATOM 0 HA ILE A 56 -9.211 -0.125 1.543 1.00 0.47 H new ATOM 0 HB ILE A 56 -7.272 -0.652 3.781 1.00 0.50 H new ATOM 0 HG12 ILE A 56 -6.975 -2.828 2.328 1.00 0.51 H new ATOM 0 HG13 ILE A 56 -7.536 -1.813 1.015 1.00 0.51 H new ATOM 0 HG21 ILE A 56 -8.589 -2.817 3.925 1.00 0.67 H new ATOM 0 HG22 ILE A 56 -9.635 -1.406 4.213 1.00 0.67 H new ATOM 0 HG23 ILE A 56 -9.659 -2.225 2.633 1.00 0.67 H new ATOM 0 HD11 ILE A 56 -5.074 -1.805 1.137 1.00 1.22 H new ATOM 0 HD12 ILE A 56 -5.719 -0.182 1.480 1.00 1.22 H new ATOM 0 HD13 ILE A 56 -5.149 -1.213 2.814 1.00 1.22 H new ATOM 884 N CYS A 57 -8.818 1.264 4.540 1.00 0.53 N ATOM 885 CA CYS A 57 -9.578 1.777 5.664 1.00 0.61 C ATOM 886 C CYS A 57 -9.968 3.250 5.448 1.00 0.52 C ATOM 887 O CYS A 57 -10.845 3.746 6.148 1.00 0.59 O ATOM 888 CB CYS A 57 -8.812 1.502 6.974 1.00 0.68 C ATOM 889 SG CYS A 57 -7.105 2.135 7.024 1.00 0.70 S ATOM 0 H CYS A 57 -7.828 1.114 4.734 1.00 0.53 H new ATOM 0 HA CYS A 57 -10.529 1.250 5.746 1.00 0.61 H new ATOM 0 HB2 CYS A 57 -9.370 1.942 7.801 1.00 0.68 H new ATOM 0 HB3 CYS A 57 -8.788 0.425 7.143 1.00 0.68 H new ATOM 894 N ARG A 58 -9.394 3.942 4.450 1.00 0.47 N ATOM 895 CA ARG A 58 -9.923 5.202 3.914 1.00 0.51 C ATOM 896 C ARG A 58 -9.625 6.405 4.820 1.00 0.65 C ATOM 897 O ARG A 58 -10.094 7.516 4.561 1.00 1.00 O ATOM 898 CB ARG A 58 -11.421 5.003 3.595 1.00 0.52 C ATOM 899 CG ARG A 58 -11.866 5.625 2.271 1.00 0.63 C ATOM 900 CD ARG A 58 -11.787 7.147 2.312 1.00 1.59 C ATOM 901 NE ARG A 58 -12.603 7.742 1.242 1.00 2.07 N ATOM 902 CZ ARG A 58 -12.723 9.052 1.006 1.00 2.78 C ATOM 903 NH1 ARG A 58 -11.985 9.915 1.702 1.00 3.62 N ATOM 904 NH2 ARG A 58 -13.583 9.494 0.085 1.00 3.15 N ATOM 0 H ARG A 58 -8.538 3.636 3.988 1.00 0.47 H new ATOM 0 HA ARG A 58 -9.409 5.454 2.987 1.00 0.51 H new ATOM 0 HB2 ARG A 58 -11.638 3.935 3.573 1.00 0.52 H new ATOM 0 HB3 ARG A 58 -12.014 5.432 4.403 1.00 0.52 H new ATOM 0 HG2 ARG A 58 -11.239 5.249 1.463 1.00 0.63 H new ATOM 0 HG3 ARG A 58 -12.888 5.319 2.050 1.00 0.63 H new ATOM 0 HD2 ARG A 58 -12.132 7.507 3.281 1.00 1.59 H new ATOM 0 HD3 ARG A 58 -10.750 7.465 2.204 1.00 1.59 H new ATOM 0 HE ARG A 58 -13.117 7.105 0.633 1.00 2.07 H new ATOM 0 HH11 ARG A 58 -11.334 9.575 2.409 1.00 3.62 H new ATOM 0 HH12 ARG A 58 -12.071 10.916 1.528 1.00 3.62 H new ATOM 0 HH21 ARG A 58 -14.152 8.831 -0.442 1.00 3.15 H new ATOM 0 HH22 ARG A 58 -13.671 10.495 -0.092 1.00 3.15 H new ATOM 918 N VAL A 59 -8.790 6.220 5.841 1.00 0.45 N ATOM 919 CA VAL A 59 -8.488 7.236 6.846 1.00 0.45 C ATOM 920 C VAL A 59 -7.058 7.697 6.732 1.00 0.41 C ATOM 921 O VAL A 59 -6.198 6.964 6.267 1.00 0.39 O ATOM 922 CB VAL A 59 -8.707 6.713 8.265 1.00 0.47 C ATOM 923 CG1 VAL A 59 -9.988 5.902 8.327 1.00 0.52 C ATOM 924 CG2 VAL A 59 -7.562 5.854 8.811 1.00 0.46 C ATOM 0 H VAL A 59 -8.295 5.342 5.995 1.00 0.45 H new ATOM 0 HA VAL A 59 -9.168 8.067 6.659 1.00 0.45 H new ATOM 0 HB VAL A 59 -8.762 7.602 8.893 1.00 0.47 H new ATOM 0 HG11 VAL A 59 -10.136 5.533 9.342 1.00 0.52 H new ATOM 0 HG12 VAL A 59 -10.831 6.531 8.043 1.00 0.52 H new ATOM 0 HG13 VAL A 59 -9.918 5.058 7.641 1.00 0.52 H new ATOM 0 HG21 VAL A 59 -7.803 5.527 9.822 1.00 0.46 H new ATOM 0 HG22 VAL A 59 -7.424 4.983 8.171 1.00 0.46 H new ATOM 0 HG23 VAL A 59 -6.644 6.441 8.829 1.00 0.46 H new ATOM 934 N ASP A 60 -6.762 8.891 7.206 1.00 0.40 N ATOM 935 CA ASP A 60 -5.408 9.369 7.204 1.00 0.37 C ATOM 936 C ASP A 60 -4.644 8.568 8.236 1.00 0.34 C ATOM 937 O ASP A 60 -5.034 8.534 9.401 1.00 0.42 O ATOM 938 CB ASP A 60 -5.348 10.856 7.585 1.00 0.45 C ATOM 939 CG ASP A 60 -6.500 11.672 7.007 1.00 0.52 C ATOM 940 OD1 ASP A 60 -7.635 11.517 7.518 1.00 1.78 O ATOM 941 OD2 ASP A 60 -6.319 12.360 5.980 1.00 1.72 O ATOM 0 H ASP A 60 -7.445 9.541 7.595 1.00 0.40 H new ATOM 0 HA ASP A 60 -4.981 9.256 6.208 1.00 0.37 H new ATOM 0 HB2 ASP A 60 -5.356 10.947 8.671 1.00 0.45 H new ATOM 0 HB3 ASP A 60 -4.404 11.276 7.237 1.00 0.45 H new ATOM 946 N ILE A 61 -3.563 7.922 7.811 1.00 0.33 N ATOM 947 CA ILE A 61 -2.758 7.092 8.675 1.00 0.40 C ATOM 948 C ILE A 61 -2.329 7.851 9.934 1.00 0.47 C ATOM 949 O ILE A 61 -2.320 7.276 11.016 1.00 0.57 O ATOM 950 CB ILE A 61 -1.583 6.516 7.884 1.00 0.52 C ATOM 951 CG1 ILE A 61 -2.090 5.837 6.598 1.00 0.58 C ATOM 952 CG2 ILE A 61 -0.879 5.484 8.757 1.00 0.66 C ATOM 953 CD1 ILE A 61 -1.788 6.687 5.364 1.00 0.64 C ATOM 0 H ILE A 61 -3.226 7.965 6.849 1.00 0.33 H new ATOM 0 HA ILE A 61 -3.353 6.251 9.031 1.00 0.40 H new ATOM 0 HB ILE A 61 -0.896 7.317 7.609 1.00 0.52 H new ATOM 0 HG12 ILE A 61 -1.621 4.859 6.492 1.00 0.58 H new ATOM 0 HG13 ILE A 61 -3.164 5.669 6.672 1.00 0.58 H new ATOM 0 HG21 ILE A 61 -0.036 5.060 8.211 1.00 0.66 H new ATOM 0 HG22 ILE A 61 -0.518 5.963 9.667 1.00 0.66 H new ATOM 0 HG23 ILE A 61 -1.579 4.690 9.018 1.00 0.66 H new ATOM 0 HD11 ILE A 61 -2.159 6.180 4.473 1.00 0.64 H new ATOM 0 HD12 ILE A 61 -2.278 7.656 5.460 1.00 0.64 H new ATOM 0 HD13 ILE A 61 -0.711 6.833 5.277 1.00 0.64 H new ATOM 965 N GLU A 62 -1.985 9.132 9.777 1.00 0.57 N ATOM 966 CA GLU A 62 -1.727 10.081 10.845 1.00 0.72 C ATOM 967 C GLU A 62 -1.382 11.414 10.179 1.00 1.76 C ATOM 968 O GLU A 62 -0.241 11.643 9.788 1.00 3.07 O ATOM 969 CB GLU A 62 -0.619 9.614 11.815 1.00 2.10 C ATOM 970 CG GLU A 62 -1.218 9.394 13.208 1.00 2.69 C ATOM 971 CD GLU A 62 -0.141 9.066 14.245 1.00 3.69 C ATOM 972 OE1 GLU A 62 0.525 10.026 14.693 1.00 3.99 O ATOM 973 OE2 GLU A 62 -0.002 7.871 14.587 1.00 4.75 O ATOM 0 H GLU A 62 -1.875 9.549 8.852 1.00 0.57 H new ATOM 0 HA GLU A 62 -2.612 10.179 11.473 1.00 0.72 H new ATOM 0 HB2 GLU A 62 -0.168 8.691 11.451 1.00 2.10 H new ATOM 0 HB3 GLU A 62 0.175 10.359 11.863 1.00 2.10 H new ATOM 0 HG2 GLU A 62 -1.759 10.289 13.516 1.00 2.69 H new ATOM 0 HG3 GLU A 62 -1.943 8.581 13.168 1.00 2.69 H new ATOM 980 N ALA A 63 -2.388 12.281 10.018 1.00 2.57 N ATOM 981 CA ALA A 63 -2.254 13.587 9.382 1.00 4.04 C ATOM 982 C ALA A 63 -1.420 13.517 8.094 1.00 4.35 C ATOM 983 O ALA A 63 -1.771 12.793 7.165 1.00 4.64 O ATOM 984 CB ALA A 63 -1.733 14.597 10.417 1.00 4.81 C ATOM 0 H ALA A 63 -3.338 12.085 10.335 1.00 2.57 H new ATOM 0 HA ALA A 63 -3.230 13.938 9.047 1.00 4.04 H new ATOM 0 HB1 ALA A 63 -1.630 15.576 9.950 1.00 4.81 H new ATOM 0 HB2 ALA A 63 -2.437 14.663 11.247 1.00 4.81 H new ATOM 0 HB3 ALA A 63 -0.763 14.269 10.789 1.00 4.81 H new ATOM 990 N GLN A 64 -0.332 14.283 8.024 1.00 4.88 N ATOM 991 CA GLN A 64 0.643 14.227 6.950 1.00 5.46 C ATOM 992 C GLN A 64 2.010 14.480 7.575 1.00 4.44 C ATOM 993 O GLN A 64 2.101 15.214 8.558 1.00 4.65 O ATOM 994 CB GLN A 64 0.306 15.261 5.862 1.00 7.47 C ATOM 995 CG GLN A 64 0.332 16.714 6.367 1.00 8.09 C ATOM 996 CD GLN A 64 0.005 17.719 5.267 1.00 9.98 C ATOM 997 OE1 GLN A 64 -0.334 17.357 4.142 1.00 11.01 O ATOM 998 NE2 GLN A 64 0.121 19.009 5.560 1.00 10.75 N ATOM 0 H GLN A 64 -0.104 14.977 8.736 1.00 4.88 H new ATOM 0 HA GLN A 64 0.636 13.254 6.459 1.00 5.46 H new ATOM 0 HB2 GLN A 64 1.016 15.157 5.041 1.00 7.47 H new ATOM 0 HB3 GLN A 64 -0.683 15.043 5.458 1.00 7.47 H new ATOM 0 HG2 GLN A 64 -0.384 16.825 7.181 1.00 8.09 H new ATOM 0 HG3 GLN A 64 1.318 16.936 6.776 1.00 8.09 H new ATOM 0 HE21 GLN A 64 0.403 19.296 6.497 1.00 10.75 H new ATOM 0 HE22 GLN A 64 -0.072 19.713 4.848 1.00 10.75 H new ATOM 1007 N LEU A 65 3.070 13.904 7.009 1.00 4.23 N ATOM 1008 CA LEU A 65 4.427 14.105 7.490 1.00 4.01 C ATOM 1009 C LEU A 65 5.373 14.100 6.289 1.00 4.63 C ATOM 1010 O LEU A 65 5.058 13.477 5.275 1.00 5.55 O ATOM 1011 CB LEU A 65 4.803 13.021 8.514 1.00 4.53 C ATOM 1012 CG LEU A 65 4.688 11.579 7.980 1.00 5.74 C ATOM 1013 CD1 LEU A 65 5.960 10.793 8.304 1.00 7.19 C ATOM 1014 CD2 LEU A 65 3.484 10.867 8.604 1.00 6.58 C ATOM 0 H LEU A 65 3.006 13.284 6.202 1.00 4.23 H new ATOM 0 HA LEU A 65 4.507 15.065 8.001 1.00 4.01 H new ATOM 0 HB2 LEU A 65 5.826 13.192 8.848 1.00 4.53 H new ATOM 0 HB3 LEU A 65 4.161 13.125 9.388 1.00 4.53 H new ATOM 0 HG LEU A 65 4.554 11.628 6.899 1.00 5.74 H new ATOM 0 HD11 LEU A 65 5.867 9.776 7.922 1.00 7.19 H new ATOM 0 HD12 LEU A 65 6.817 11.279 7.837 1.00 7.19 H new ATOM 0 HD13 LEU A 65 6.104 10.763 9.384 1.00 7.19 H new ATOM 0 HD21 LEU A 65 3.420 9.851 8.214 1.00 6.58 H new ATOM 0 HD22 LEU A 65 3.602 10.834 9.687 1.00 6.58 H new ATOM 0 HD23 LEU A 65 2.572 11.409 8.355 1.00 6.58 H new ATOM 1026 N PRO A 66 6.502 14.812 6.367 1.00 4.93 N ATOM 1027 CA PRO A 66 7.473 14.858 5.294 1.00 5.79 C ATOM 1028 C PRO A 66 8.348 13.614 5.300 1.00 5.85 C ATOM 1029 O PRO A 66 8.425 12.881 6.284 1.00 6.17 O ATOM 1030 CB PRO A 66 8.304 16.112 5.574 1.00 6.74 C ATOM 1031 CG PRO A 66 8.313 16.161 7.103 1.00 6.52 C ATOM 1032 CD PRO A 66 6.910 15.671 7.467 1.00 5.40 C ATOM 0 HA PRO A 66 7.000 14.890 4.313 1.00 5.79 H new ATOM 0 HB2 PRO A 66 9.311 16.033 5.164 1.00 6.74 H new ATOM 0 HB3 PRO A 66 7.852 17.005 5.141 1.00 6.74 H new ATOM 0 HG2 PRO A 66 9.087 15.519 7.524 1.00 6.52 H new ATOM 0 HG3 PRO A 66 8.498 17.169 7.474 1.00 6.52 H new ATOM 0 HD2 PRO A 66 6.917 15.124 8.410 1.00 5.40 H new ATOM 0 HD3 PRO A 66 6.221 16.507 7.589 1.00 5.40 H new ATOM 1040 N SER A 67 9.030 13.410 4.179 1.00 6.40 N ATOM 1041 CA SER A 67 9.958 12.326 3.966 1.00 7.18 C ATOM 1042 C SER A 67 10.922 12.801 2.888 1.00 7.33 C ATOM 1043 O SER A 67 10.521 13.567 2.011 1.00 7.49 O ATOM 1044 CB SER A 67 9.159 11.109 3.499 1.00 8.25 C ATOM 1045 OG SER A 67 9.979 9.962 3.388 1.00 9.52 O ATOM 0 H SER A 67 8.942 14.023 3.368 1.00 6.40 H new ATOM 0 HA SER A 67 10.510 12.049 4.864 1.00 7.18 H new ATOM 0 HB2 SER A 67 8.350 10.912 4.202 1.00 8.25 H new ATOM 0 HB3 SER A 67 8.698 11.323 2.535 1.00 8.25 H new ATOM 0 HG SER A 67 10.618 10.086 2.655 1.00 9.52 H new ATOM 1051 N GLU A 68 12.173 12.355 2.932 1.00 7.78 N ATOM 1052 CA GLU A 68 13.021 12.429 1.753 1.00 8.18 C ATOM 1053 C GLU A 68 12.589 11.315 0.798 1.00 8.42 C ATOM 1054 O GLU A 68 11.853 10.407 1.196 1.00 8.77 O ATOM 1055 CB GLU A 68 14.496 12.323 2.159 1.00 9.21 C ATOM 1056 CG GLU A 68 14.994 13.712 2.583 1.00 9.26 C ATOM 1057 CD GLU A 68 16.375 13.663 3.240 1.00 10.43 C ATOM 1058 OE1 GLU A 68 17.296 13.100 2.609 1.00 11.37 O ATOM 1059 OE2 GLU A 68 16.492 14.202 4.363 1.00 10.71 O ATOM 0 H GLU A 68 12.614 11.946 3.756 1.00 7.78 H new ATOM 0 HA GLU A 68 12.912 13.387 1.244 1.00 8.18 H new ATOM 0 HB2 GLU A 68 14.612 11.614 2.979 1.00 9.21 H new ATOM 0 HB3 GLU A 68 15.090 11.947 1.326 1.00 9.21 H new ATOM 0 HG2 GLU A 68 15.034 14.363 1.709 1.00 9.26 H new ATOM 0 HG3 GLU A 68 14.280 14.154 3.278 1.00 9.26 H new ATOM 1066 N SER A 69 13.017 11.410 -0.460 1.00 8.60 N ATOM 1067 CA SER A 69 12.680 10.477 -1.521 1.00 9.11 C ATOM 1068 C SER A 69 13.895 9.606 -1.805 1.00 9.70 C ATOM 1069 O SER A 69 14.906 10.220 -2.220 1.00 10.14 O ATOM 1070 CB SER A 69 12.286 11.284 -2.762 1.00 9.23 C ATOM 1071 OG SER A 69 13.267 12.275 -3.008 1.00 9.51 O ATOM 1072 OXT SER A 69 13.788 8.376 -1.633 1.00 10.05 O ATOM 0 H SER A 69 13.627 12.165 -0.773 1.00 8.60 H new ATOM 0 HA SER A 69 11.847 9.835 -1.234 1.00 9.11 H new ATOM 0 HB2 SER A 69 12.195 10.624 -3.625 1.00 9.23 H new ATOM 0 HB3 SER A 69 11.312 11.750 -2.613 1.00 9.23 H new ATOM 0 HG SER A 69 14.154 11.919 -2.790 1.00 9.51 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.735 -1.787 -6.107 1.00 0.35 ZN HETATM 1080 ZN ZN A 71 -5.222 1.065 6.724 1.00 0.52 ZN