USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 Set 1.1: A 2 LYS NZ :NH3+ 145:sc= 1.22 (180deg=-0.789) USER MOD Set 1.2: A 3 GLN : amide:sc= -0.0381 K(o=1.2,f=-8.2!) 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 9 THR OG1 : rot 43:sc= 0.376 USER MOD Single : A 13 THR OG1 : rot 91:sc= 0.703 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc=0.000619 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -32:sc= 0.146 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -121:sc= 0 (180deg=-0.00875) USER MOD Single : A 41 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.015) USER MOD Single : A 46 GLN : amide:sc=-0.000768 K(o=-0.00077,f=-0.5) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.229 USER MOD Single : A 51 ASN : amide:sc=-0.000126 X(o=-0.00013,f=-0.13) USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= 2 (180deg=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 37:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.003 15.596 -3.353 1.00 34.04 N ATOM 2 CA MET A 1 3.474 16.465 -4.448 1.00 33.34 C ATOM 3 C MET A 1 4.481 17.460 -3.880 1.00 32.66 C ATOM 4 O MET A 1 5.675 17.212 -3.982 1.00 33.63 O ATOM 5 CB MET A 1 2.300 17.096 -5.217 1.00 32.67 C ATOM 6 CG MET A 1 2.711 17.465 -6.645 1.00 33.05 C ATOM 7 SD MET A 1 3.903 18.819 -6.802 1.00 33.55 S ATOM 8 CE MET A 1 2.792 20.234 -6.600 1.00 32.85 C ATOM 0 H1 MET A 1 2.315 14.911 -3.725 1.00 34.04 H new ATOM 0 H2 MET A 1 3.811 15.086 -2.942 1.00 34.04 H new ATOM 0 H3 MET A 1 2.551 16.177 -2.619 1.00 34.04 H new ATOM 0 HA MET A 1 3.995 15.881 -5.207 1.00 33.34 H new ATOM 0 HB2 MET A 1 1.463 16.399 -5.245 1.00 32.67 H new ATOM 0 HB3 MET A 1 1.955 17.987 -4.693 1.00 32.67 H new ATOM 0 HG2 MET A 1 3.132 16.579 -7.121 1.00 33.05 H new ATOM 0 HG3 MET A 1 1.813 17.731 -7.203 1.00 33.05 H new ATOM 0 HE1 MET A 1 3.364 21.159 -6.670 1.00 32.85 H new ATOM 0 HE2 MET A 1 2.034 20.216 -7.383 1.00 32.85 H new ATOM 0 HE3 MET A 1 2.307 20.180 -5.625 1.00 32.85 H new ATOM 20 N LYS A 2 4.028 18.503 -3.180 1.00 31.21 N ATOM 21 CA LYS A 2 4.876 19.315 -2.312 1.00 30.76 C ATOM 22 C LYS A 2 4.091 19.586 -1.030 1.00 29.72 C ATOM 23 O LYS A 2 2.990 19.058 -0.881 1.00 29.53 O ATOM 24 CB LYS A 2 5.271 20.625 -3.010 1.00 30.28 C ATOM 25 CG LYS A 2 6.433 20.446 -3.992 1.00 30.73 C ATOM 26 CD LYS A 2 7.277 21.723 -4.129 1.00 31.01 C ATOM 27 CE LYS A 2 6.525 22.922 -4.726 1.00 29.85 C ATOM 28 NZ LYS A 2 5.699 23.652 -3.735 1.00 29.60 N ATOM 0 H LYS A 2 3.055 18.808 -3.202 1.00 31.21 H new ATOM 0 HA LYS A 2 5.803 18.790 -2.080 1.00 30.76 H new ATOM 0 HB2 LYS A 2 4.408 21.022 -3.544 1.00 30.28 H new ATOM 0 HB3 LYS A 2 5.547 21.364 -2.258 1.00 30.28 H new ATOM 0 HG2 LYS A 2 7.068 19.627 -3.656 1.00 30.73 H new ATOM 0 HG3 LYS A 2 6.041 20.165 -4.969 1.00 30.73 H new ATOM 0 HD2 LYS A 2 7.655 22.001 -3.145 1.00 31.01 H new ATOM 0 HD3 LYS A 2 8.143 21.506 -4.754 1.00 31.01 H new ATOM 0 HE2 LYS A 2 7.246 23.611 -5.165 1.00 29.85 H new ATOM 0 HE3 LYS A 2 5.884 22.573 -5.535 1.00 29.85 H new ATOM 0 HZ1 LYS A 2 5.708 24.668 -3.957 1.00 29.60 H new ATOM 0 HZ2 LYS A 2 4.722 23.299 -3.770 1.00 29.60 H new ATOM 0 HZ3 LYS A 2 6.087 23.502 -2.782 1.00 29.60 H new ATOM 42 N GLN A 3 4.652 20.393 -0.125 1.00 29.25 N ATOM 43 CA GLN A 3 3.892 20.960 0.978 1.00 28.15 C ATOM 44 C GLN A 3 2.670 21.698 0.434 1.00 26.28 C ATOM 45 O GLN A 3 2.719 22.238 -0.672 1.00 25.92 O ATOM 46 CB GLN A 3 4.764 21.881 1.851 1.00 28.64 C ATOM 47 CG GLN A 3 5.246 23.188 1.187 1.00 28.25 C ATOM 48 CD GLN A 3 6.275 22.980 0.078 1.00 28.64 C ATOM 49 OE1 GLN A 3 6.116 23.440 -1.049 1.00 28.07 O ATOM 50 NE2 GLN A 3 7.347 22.249 0.358 1.00 29.79 N ATOM 0 H GLN A 3 5.635 20.666 -0.140 1.00 29.25 H new ATOM 0 HA GLN A 3 3.553 20.148 1.621 1.00 28.15 H new ATOM 0 HB2 GLN A 3 4.200 22.139 2.747 1.00 28.64 H new ATOM 0 HB3 GLN A 3 5.639 21.318 2.176 1.00 28.64 H new ATOM 0 HG2 GLN A 3 4.384 23.713 0.775 1.00 28.25 H new ATOM 0 HG3 GLN A 3 5.677 23.834 1.952 1.00 28.25 H new ATOM 0 HE21 GLN A 3 7.474 21.869 1.296 1.00 29.79 H new ATOM 0 HE22 GLN A 3 8.043 22.067 -0.365 1.00 29.79 H new ATOM 59 N ASP A 4 1.597 21.721 1.219 1.00 25.24 N ATOM 60 CA ASP A 4 0.323 22.334 0.874 1.00 23.49 C ATOM 61 C ASP A 4 -0.380 22.670 2.197 1.00 22.97 C ATOM 62 O ASP A 4 0.236 22.526 3.254 1.00 24.05 O ATOM 63 CB ASP A 4 -0.493 21.352 0.016 1.00 22.87 C ATOM 64 CG ASP A 4 -1.366 22.075 -1.007 1.00 21.63 C ATOM 65 OD1 ASP A 4 -1.491 21.542 -2.131 1.00 21.40 O ATOM 66 OD2 ASP A 4 -1.886 23.157 -0.654 1.00 21.18 O ATOM 0 H ASP A 4 1.593 21.297 2.147 1.00 25.24 H new ATOM 0 HA ASP A 4 0.445 23.245 0.288 1.00 23.49 H new ATOM 0 HB2 ASP A 4 0.185 20.673 -0.501 1.00 22.87 H new ATOM 0 HB3 ASP A 4 -1.123 20.742 0.663 1.00 22.87 H new ATOM 71 N GLY A 5 -1.644 23.094 2.165 1.00 21.51 N ATOM 72 CA GLY A 5 -2.451 23.269 3.363 1.00 21.09 C ATOM 73 C GLY A 5 -3.198 21.980 3.696 1.00 20.43 C ATOM 74 O GLY A 5 -2.709 20.878 3.448 1.00 20.88 O ATOM 0 H GLY A 5 -2.135 23.325 1.301 1.00 21.51 H new ATOM 0 HA2 GLY A 5 -1.813 23.554 4.200 1.00 21.09 H new ATOM 0 HA3 GLY A 5 -3.163 24.081 3.214 1.00 21.09 H new ATOM 78 N GLU A 6 -4.391 22.109 4.277 1.00 19.58 N ATOM 79 CA GLU A 6 -5.175 20.993 4.783 1.00 19.07 C ATOM 80 C GLU A 6 -6.663 21.336 4.655 1.00 17.66 C ATOM 81 O GLU A 6 -6.998 22.324 4.006 1.00 17.09 O ATOM 82 CB GLU A 6 -4.726 20.684 6.221 1.00 20.39 C ATOM 83 CG GLU A 6 -4.937 21.851 7.199 1.00 21.22 C ATOM 84 CD GLU A 6 -3.934 21.774 8.353 1.00 22.39 C ATOM 85 OE1 GLU A 6 -2.892 22.458 8.248 1.00 22.67 O ATOM 86 OE2 GLU A 6 -4.208 21.014 9.308 1.00 23.15 O ATOM 0 H GLU A 6 -4.845 23.013 4.410 1.00 19.58 H new ATOM 0 HA GLU A 6 -5.014 20.084 4.203 1.00 19.07 H new ATOM 0 HB2 GLU A 6 -5.273 19.814 6.584 1.00 20.39 H new ATOM 0 HB3 GLU A 6 -3.670 20.415 6.212 1.00 20.39 H new ATOM 0 HG2 GLU A 6 -4.823 22.799 6.673 1.00 21.22 H new ATOM 0 HG3 GLU A 6 -5.954 21.825 7.591 1.00 21.22 H new ATOM 93 N GLU A 7 -7.550 20.520 5.238 1.00 17.30 N ATOM 94 CA GLU A 7 -9.005 20.644 5.119 1.00 16.15 C ATOM 95 C GLU A 7 -9.468 20.750 3.659 1.00 14.48 C ATOM 96 O GLU A 7 -10.056 21.740 3.231 1.00 13.99 O ATOM 97 CB GLU A 7 -9.539 21.771 6.018 1.00 16.64 C ATOM 98 CG GLU A 7 -9.571 21.305 7.477 1.00 17.46 C ATOM 99 CD GLU A 7 -10.122 22.394 8.401 1.00 18.52 C ATOM 100 OE1 GLU A 7 -9.299 23.069 9.057 1.00 19.65 O ATOM 101 OE2 GLU A 7 -11.365 22.527 8.447 1.00 18.36 O ATOM 0 H GLU A 7 -7.265 19.733 5.822 1.00 17.30 H new ATOM 0 HA GLU A 7 -9.449 19.719 5.486 1.00 16.15 H new ATOM 0 HB2 GLU A 7 -8.907 22.654 5.923 1.00 16.64 H new ATOM 0 HB3 GLU A 7 -10.540 22.060 5.698 1.00 16.64 H new ATOM 0 HG2 GLU A 7 -10.187 20.409 7.561 1.00 17.46 H new ATOM 0 HG3 GLU A 7 -8.565 21.031 7.795 1.00 17.46 H new ATOM 108 N GLY A 8 -9.276 19.666 2.901 1.00 13.80 N ATOM 109 CA GLY A 8 -9.791 19.553 1.548 1.00 12.31 C ATOM 110 C GLY A 8 -9.936 18.082 1.180 1.00 11.43 C ATOM 111 O GLY A 8 -8.993 17.473 0.682 1.00 11.45 O ATOM 0 H GLY A 8 -8.758 18.846 3.216 1.00 13.80 H new ATOM 0 HA2 GLY A 8 -10.756 20.055 1.472 1.00 12.31 H new ATOM 0 HA3 GLY A 8 -9.118 20.049 0.849 1.00 12.31 H new ATOM 115 N THR A 9 -11.102 17.499 1.451 1.00 10.93 N ATOM 116 CA THR A 9 -11.372 16.090 1.204 1.00 10.19 C ATOM 117 C THR A 9 -12.833 15.951 0.797 1.00 9.30 C ATOM 118 O THR A 9 -13.709 16.180 1.630 1.00 10.18 O ATOM 119 CB THR A 9 -11.111 15.282 2.486 1.00 11.22 C ATOM 120 OG1 THR A 9 -11.695 15.929 3.599 1.00 11.90 O ATOM 121 CG2 THR A 9 -9.619 15.105 2.766 1.00 12.20 C ATOM 0 H THR A 9 -11.894 18.001 1.853 1.00 10.93 H new ATOM 0 HA THR A 9 -10.723 15.713 0.413 1.00 10.19 H new ATOM 0 HB THR A 9 -11.557 14.299 2.331 1.00 11.22 H new ATOM 0 HG1 THR A 9 -12.586 16.256 3.356 1.00 11.90 H new ATOM 0 HG21 THR A 9 -9.487 14.528 3.681 1.00 12.20 H new ATOM 0 HG22 THR A 9 -9.153 14.577 1.934 1.00 12.20 H new ATOM 0 HG23 THR A 9 -9.152 16.083 2.883 1.00 12.20 H new ATOM 129 N GLU A 10 -13.109 15.579 -0.452 1.00 7.94 N ATOM 130 CA GLU A 10 -14.462 15.327 -0.913 1.00 7.43 C ATOM 131 C GLU A 10 -14.352 14.299 -2.035 1.00 5.94 C ATOM 132 O GLU A 10 -13.536 14.491 -2.935 1.00 5.33 O ATOM 133 CB GLU A 10 -15.096 16.638 -1.402 1.00 8.05 C ATOM 134 CG GLU A 10 -16.625 16.524 -1.405 1.00 9.14 C ATOM 135 CD GLU A 10 -17.314 17.834 -1.801 1.00 10.34 C ATOM 136 OE1 GLU A 10 -16.647 18.684 -2.432 1.00 10.39 O ATOM 137 OE2 GLU A 10 -18.507 17.976 -1.450 1.00 11.55 O ATOM 0 H GLU A 10 -12.396 15.445 -1.169 1.00 7.94 H new ATOM 0 HA GLU A 10 -15.102 14.945 -0.117 1.00 7.43 H new ATOM 0 HB2 GLU A 10 -14.788 17.461 -0.757 1.00 8.05 H new ATOM 0 HB3 GLU A 10 -14.740 16.869 -2.406 1.00 8.05 H new ATOM 0 HG2 GLU A 10 -16.925 15.737 -2.096 1.00 9.14 H new ATOM 0 HG3 GLU A 10 -16.965 16.224 -0.414 1.00 9.14 H new ATOM 144 N GLU A 11 -15.122 13.209 -1.961 1.00 5.92 N ATOM 145 CA GLU A 11 -14.982 12.058 -2.852 1.00 4.93 C ATOM 146 C GLU A 11 -13.535 11.550 -2.900 1.00 4.12 C ATOM 147 O GLU A 11 -12.737 11.847 -2.010 1.00 4.94 O ATOM 148 CB GLU A 11 -15.612 12.375 -4.224 1.00 5.26 C ATOM 149 CG GLU A 11 -17.133 12.522 -4.084 1.00 6.21 C ATOM 150 CD GLU A 11 -17.812 12.777 -5.433 1.00 6.95 C ATOM 151 OE1 GLU A 11 -18.668 13.686 -5.485 1.00 7.83 O ATOM 152 OE2 GLU A 11 -17.489 12.035 -6.388 1.00 7.12 O ATOM 0 H GLU A 11 -15.867 13.102 -1.273 1.00 5.92 H new ATOM 0 HA GLU A 11 -15.543 11.212 -2.454 1.00 4.93 H new ATOM 0 HB2 GLU A 11 -15.185 13.294 -4.625 1.00 5.26 H new ATOM 0 HB3 GLU A 11 -15.379 11.580 -4.932 1.00 5.26 H new ATOM 0 HG2 GLU A 11 -17.545 11.618 -3.636 1.00 6.21 H new ATOM 0 HG3 GLU A 11 -17.357 13.344 -3.404 1.00 6.21 H new ATOM 159 N ASP A 12 -13.234 10.706 -3.891 1.00 3.30 N ATOM 160 CA ASP A 12 -11.898 10.299 -4.303 1.00 2.75 C ATOM 161 C ASP A 12 -10.936 10.115 -3.130 1.00 2.40 C ATOM 162 O ASP A 12 -9.950 10.831 -2.961 1.00 3.20 O ATOM 163 CB ASP A 12 -11.401 11.306 -5.335 1.00 3.94 C ATOM 164 CG ASP A 12 -10.170 10.766 -6.054 1.00 4.44 C ATOM 165 OD1 ASP A 12 -9.289 11.579 -6.414 1.00 5.65 O ATOM 166 OD2 ASP A 12 -10.150 9.533 -6.259 1.00 4.27 O ATOM 0 H ASP A 12 -13.961 10.267 -4.456 1.00 3.30 H new ATOM 0 HA ASP A 12 -11.944 9.308 -4.755 1.00 2.75 H new ATOM 0 HB2 ASP A 12 -12.190 11.515 -6.058 1.00 3.94 H new ATOM 0 HB3 ASP A 12 -11.159 12.249 -4.845 1.00 3.94 H new ATOM 171 N THR A 13 -11.289 9.172 -2.257 1.00 1.89 N ATOM 172 CA THR A 13 -10.623 8.997 -0.970 1.00 2.34 C ATOM 173 C THR A 13 -10.489 7.531 -0.553 1.00 2.30 C ATOM 174 O THR A 13 -9.695 7.212 0.328 1.00 3.21 O ATOM 175 CB THR A 13 -11.345 9.895 0.051 1.00 2.96 C ATOM 176 OG1 THR A 13 -10.798 11.193 -0.055 1.00 3.78 O ATOM 177 CG2 THR A 13 -11.264 9.450 1.511 1.00 3.88 C ATOM 0 H THR A 13 -12.045 8.508 -2.424 1.00 1.89 H new ATOM 0 HA THR A 13 -9.582 9.314 -1.037 1.00 2.34 H new ATOM 0 HB THR A 13 -12.404 9.843 -0.202 1.00 2.96 H new ATOM 0 HG1 THR A 13 -11.313 11.713 -0.707 1.00 3.78 H new ATOM 0 HG21 THR A 13 -11.808 10.157 2.138 1.00 3.88 H new ATOM 0 HG22 THR A 13 -11.706 8.459 1.614 1.00 3.88 H new ATOM 0 HG23 THR A 13 -10.220 9.416 1.824 1.00 3.88 H new ATOM 185 N GLU A 14 -11.218 6.631 -1.204 1.00 1.68 N ATOM 186 CA GLU A 14 -11.228 5.220 -0.851 1.00 2.04 C ATOM 187 C GLU A 14 -9.905 4.590 -1.297 1.00 1.68 C ATOM 188 O GLU A 14 -9.202 3.950 -0.519 1.00 2.17 O ATOM 189 CB GLU A 14 -12.425 4.518 -1.523 1.00 2.32 C ATOM 190 CG GLU A 14 -13.180 3.600 -0.551 1.00 3.61 C ATOM 191 CD GLU A 14 -14.382 4.310 0.077 1.00 4.17 C ATOM 192 OE1 GLU A 14 -14.178 5.432 0.588 1.00 4.67 O ATOM 193 OE2 GLU A 14 -15.486 3.721 0.028 1.00 4.89 O ATOM 0 H GLU A 14 -11.820 6.863 -1.994 1.00 1.68 H new ATOM 0 HA GLU A 14 -11.333 5.105 0.228 1.00 2.04 H new ATOM 0 HB2 GLU A 14 -13.110 5.269 -1.917 1.00 2.32 H new ATOM 0 HB3 GLU A 14 -12.071 3.933 -2.372 1.00 2.32 H new ATOM 0 HG2 GLU A 14 -13.519 2.709 -1.080 1.00 3.61 H new ATOM 0 HG3 GLU A 14 -12.503 3.266 0.235 1.00 3.61 H new ATOM 200 N GLU A 15 -9.566 4.760 -2.577 1.00 1.00 N ATOM 201 CA GLU A 15 -8.456 4.053 -3.197 1.00 0.81 C ATOM 202 C GLU A 15 -7.173 4.861 -3.051 1.00 0.73 C ATOM 203 O GLU A 15 -6.580 5.304 -4.037 1.00 0.83 O ATOM 204 CB GLU A 15 -8.785 3.756 -4.663 1.00 1.01 C ATOM 205 CG GLU A 15 -10.103 2.979 -4.753 1.00 1.83 C ATOM 206 CD GLU A 15 -10.181 2.172 -6.047 1.00 2.22 C ATOM 207 OE1 GLU A 15 -9.518 1.111 -6.087 1.00 2.52 O ATOM 208 OE2 GLU A 15 -10.905 2.621 -6.963 1.00 2.99 O ATOM 0 H GLU A 15 -10.057 5.393 -3.208 1.00 1.00 H new ATOM 0 HA GLU A 15 -8.299 3.100 -2.693 1.00 0.81 H new ATOM 0 HB2 GLU A 15 -8.863 4.688 -5.224 1.00 1.01 H new ATOM 0 HB3 GLU A 15 -7.980 3.178 -5.116 1.00 1.01 H new ATOM 0 HG2 GLU A 15 -10.192 2.309 -3.898 1.00 1.83 H new ATOM 0 HG3 GLU A 15 -10.942 3.673 -4.703 1.00 1.83 H new ATOM 215 N LYS A 16 -6.733 5.058 -1.805 1.00 0.76 N ATOM 216 CA LYS A 16 -5.580 5.881 -1.516 1.00 0.76 C ATOM 217 C LYS A 16 -4.439 5.033 -0.988 1.00 0.72 C ATOM 218 O LYS A 16 -4.584 4.263 -0.041 1.00 0.81 O ATOM 219 CB LYS A 16 -5.978 6.987 -0.535 1.00 0.98 C ATOM 220 CG LYS A 16 -5.030 8.167 -0.694 1.00 1.73 C ATOM 221 CD LYS A 16 -5.386 9.340 0.228 1.00 1.53 C ATOM 222 CE LYS A 16 -5.591 10.600 -0.620 1.00 1.69 C ATOM 223 NZ LYS A 16 -5.641 11.821 0.207 1.00 2.35 N ATOM 0 H LYS A 16 -7.171 4.649 -0.980 1.00 0.76 H new ATOM 0 HA LYS A 16 -5.226 6.353 -2.433 1.00 0.76 H new ATOM 0 HB2 LYS A 16 -7.004 7.303 -0.722 1.00 0.98 H new ATOM 0 HB3 LYS A 16 -5.942 6.612 0.488 1.00 0.98 H new ATOM 0 HG2 LYS A 16 -4.012 7.841 -0.483 1.00 1.73 H new ATOM 0 HG3 LYS A 16 -5.048 8.506 -1.730 1.00 1.73 H new ATOM 0 HD2 LYS A 16 -6.292 9.114 0.791 1.00 1.53 H new ATOM 0 HD3 LYS A 16 -4.590 9.502 0.955 1.00 1.53 H new ATOM 0 HE2 LYS A 16 -4.781 10.685 -1.344 1.00 1.69 H new ATOM 0 HE3 LYS A 16 -6.517 10.508 -1.187 1.00 1.69 H new ATOM 0 HZ1 LYS A 16 -6.090 12.588 -0.333 1.00 2.35 H new ATOM 0 HZ2 LYS A 16 -6.193 11.635 1.068 1.00 2.35 H new ATOM 0 HZ3 LYS A 16 -4.675 12.102 0.470 1.00 2.35 H new ATOM 237 N CYS A 17 -3.283 5.224 -1.609 1.00 0.64 N ATOM 238 CA CYS A 17 -2.014 4.667 -1.186 1.00 0.63 C ATOM 239 C CYS A 17 -1.719 5.281 0.180 1.00 0.63 C ATOM 240 O CYS A 17 -1.427 6.470 0.263 1.00 0.72 O ATOM 241 CB CYS A 17 -0.992 5.151 -2.222 1.00 0.61 C ATOM 242 SG CYS A 17 0.707 4.565 -1.943 1.00 0.65 S ATOM 0 H CYS A 17 -3.205 5.793 -2.452 1.00 0.64 H new ATOM 0 HA CYS A 17 -1.998 3.579 -1.114 1.00 0.63 H new ATOM 0 HB2 CYS A 17 -1.316 4.827 -3.211 1.00 0.61 H new ATOM 0 HB3 CYS A 17 -0.990 6.241 -2.229 1.00 0.61 H new ATOM 247 N THR A 18 -1.768 4.503 1.261 1.00 0.63 N ATOM 248 CA THR A 18 -1.494 5.065 2.581 1.00 0.66 C ATOM 249 C THR A 18 -0.044 5.533 2.720 1.00 0.61 C ATOM 250 O THR A 18 0.270 6.222 3.686 1.00 0.68 O ATOM 251 CB THR A 18 -1.848 4.065 3.683 1.00 0.70 C ATOM 252 OG1 THR A 18 -1.966 4.726 4.924 1.00 0.78 O ATOM 253 CG2 THR A 18 -0.771 2.992 3.800 1.00 0.72 C ATOM 0 H THR A 18 -1.989 3.507 1.251 1.00 0.63 H new ATOM 0 HA THR A 18 -2.129 5.944 2.692 1.00 0.66 H new ATOM 0 HB THR A 18 -2.798 3.599 3.421 1.00 0.70 H new ATOM 0 HG1 THR A 18 -1.352 5.489 4.948 1.00 0.78 H new ATOM 0 HG21 THR A 18 -1.041 2.290 4.589 1.00 0.72 H new ATOM 0 HG22 THR A 18 -0.685 2.458 2.854 1.00 0.72 H new ATOM 0 HG23 THR A 18 0.184 3.459 4.041 1.00 0.72 H new ATOM 261 N ILE A 19 0.853 5.101 1.828 1.00 0.55 N ATOM 262 CA ILE A 19 2.270 5.377 1.924 1.00 0.55 C ATOM 263 C ILE A 19 2.542 6.766 1.349 1.00 0.56 C ATOM 264 O ILE A 19 3.106 7.609 2.039 1.00 0.63 O ATOM 265 CB ILE A 19 3.026 4.246 1.215 1.00 0.53 C ATOM 266 CG1 ILE A 19 2.972 2.987 2.097 1.00 0.52 C ATOM 267 CG2 ILE A 19 4.478 4.644 0.949 1.00 0.55 C ATOM 268 CD1 ILE A 19 3.225 1.721 1.281 1.00 0.46 C ATOM 0 H ILE A 19 0.601 4.543 1.012 1.00 0.55 H new ATOM 0 HA ILE A 19 2.622 5.398 2.955 1.00 0.55 H new ATOM 0 HB ILE A 19 2.555 4.046 0.253 1.00 0.53 H new ATOM 0 HG12 ILE A 19 3.716 3.065 2.890 1.00 0.52 H new ATOM 0 HG13 ILE A 19 1.997 2.921 2.580 1.00 0.52 H new ATOM 0 HG21 ILE A 19 4.993 3.826 0.446 1.00 0.55 H new ATOM 0 HG22 ILE A 19 4.502 5.532 0.317 1.00 0.55 H new ATOM 0 HG23 ILE A 19 4.976 4.859 1.895 1.00 0.55 H new ATOM 0 HD11 ILE A 19 3.180 0.851 1.936 1.00 0.46 H new ATOM 0 HD12 ILE A 19 2.465 1.631 0.504 1.00 0.46 H new ATOM 0 HD13 ILE A 19 4.211 1.777 0.819 1.00 0.46 H new ATOM 280 N CYS A 20 2.146 7.020 0.095 1.00 0.53 N ATOM 281 CA CYS A 20 2.332 8.335 -0.513 1.00 0.55 C ATOM 282 C CYS A 20 1.121 9.243 -0.244 1.00 0.61 C ATOM 283 O CYS A 20 1.117 10.395 -0.672 1.00 0.65 O ATOM 284 CB CYS A 20 2.607 8.177 -2.019 1.00 0.64 C ATOM 285 SG CYS A 20 1.298 7.274 -2.892 1.00 1.54 S ATOM 0 H CYS A 20 1.698 6.334 -0.512 1.00 0.53 H new ATOM 0 HA CYS A 20 3.196 8.819 -0.058 1.00 0.55 H new ATOM 0 HB2 CYS A 20 2.720 9.164 -2.467 1.00 0.64 H new ATOM 0 HB3 CYS A 20 3.554 7.655 -2.156 1.00 0.64 H new ATOM 290 N LEU A 21 0.105 8.744 0.473 1.00 0.65 N ATOM 291 CA LEU A 21 -1.110 9.448 0.885 1.00 0.68 C ATOM 292 C LEU A 21 -1.828 10.123 -0.289 1.00 0.76 C ATOM 293 O LEU A 21 -2.594 11.075 -0.108 1.00 1.09 O ATOM 294 CB LEU A 21 -0.769 10.392 2.047 1.00 0.71 C ATOM 295 CG LEU A 21 -0.262 9.611 3.273 1.00 0.71 C ATOM 296 CD1 LEU A 21 0.408 10.566 4.255 1.00 0.81 C ATOM 297 CD2 LEU A 21 -1.409 8.889 3.986 1.00 0.73 C ATOM 0 H LEU A 21 0.113 7.778 0.799 1.00 0.65 H new ATOM 0 HA LEU A 21 -1.842 8.728 1.250 1.00 0.68 H new ATOM 0 HB2 LEU A 21 -0.009 11.105 1.728 1.00 0.71 H new ATOM 0 HB3 LEU A 21 -1.652 10.969 2.321 1.00 0.71 H new ATOM 0 HG LEU A 21 0.455 8.868 2.922 1.00 0.71 H new ATOM 0 HD11 LEU A 21 0.765 10.007 5.120 1.00 0.81 H new ATOM 0 HD12 LEU A 21 1.250 11.057 3.768 1.00 0.81 H new ATOM 0 HD13 LEU A 21 -0.311 11.318 4.580 1.00 0.81 H new ATOM 0 HD21 LEU A 21 -1.018 8.347 4.847 1.00 0.73 H new ATOM 0 HD22 LEU A 21 -2.146 9.619 4.321 1.00 0.73 H new ATOM 0 HD23 LEU A 21 -1.880 8.187 3.298 1.00 0.73 H new ATOM 309 N SER A 22 -1.660 9.552 -1.482 1.00 0.64 N ATOM 310 CA SER A 22 -2.174 10.058 -2.741 1.00 0.68 C ATOM 311 C SER A 22 -3.037 8.976 -3.375 1.00 0.63 C ATOM 312 O SER A 22 -2.859 7.786 -3.110 1.00 0.60 O ATOM 313 CB SER A 22 -1.006 10.451 -3.656 1.00 0.72 C ATOM 314 OG SER A 22 -0.932 11.857 -3.795 1.00 1.52 O ATOM 0 H SER A 22 -1.136 8.684 -1.595 1.00 0.64 H new ATOM 0 HA SER A 22 -2.782 10.948 -2.580 1.00 0.68 H new ATOM 0 HB2 SER A 22 -0.071 10.071 -3.244 1.00 0.72 H new ATOM 0 HB3 SER A 22 -1.133 9.990 -4.635 1.00 0.72 H new ATOM 0 HG SER A 22 -0.181 12.089 -4.380 1.00 1.52 H new ATOM 320 N ILE A 23 -4.017 9.399 -4.170 1.00 0.68 N ATOM 321 CA ILE A 23 -4.933 8.504 -4.842 1.00 0.69 C ATOM 322 C ILE A 23 -4.196 7.730 -5.926 1.00 0.65 C ATOM 323 O ILE A 23 -3.155 8.153 -6.430 1.00 0.65 O ATOM 324 CB ILE A 23 -6.110 9.342 -5.371 1.00 0.80 C ATOM 325 CG1 ILE A 23 -7.036 9.711 -4.202 1.00 0.99 C ATOM 326 CG2 ILE A 23 -6.894 8.695 -6.512 1.00 0.87 C ATOM 327 CD1 ILE A 23 -7.885 8.536 -3.704 1.00 1.99 C ATOM 0 H ILE A 23 -4.193 10.385 -4.363 1.00 0.68 H new ATOM 0 HA ILE A 23 -5.337 7.753 -4.164 1.00 0.69 H new ATOM 0 HB ILE A 23 -5.677 10.240 -5.813 1.00 0.80 H new ATOM 0 HG12 ILE A 23 -6.433 10.090 -3.376 1.00 0.99 H new ATOM 0 HG13 ILE A 23 -7.696 10.521 -4.513 1.00 0.99 H new ATOM 0 HG21 ILE A 23 -7.703 9.358 -6.819 1.00 0.87 H new ATOM 0 HG22 ILE A 23 -6.228 8.519 -7.357 1.00 0.87 H new ATOM 0 HG23 ILE A 23 -7.311 7.746 -6.175 1.00 0.87 H new ATOM 0 HD11 ILE A 23 -8.515 8.867 -2.878 1.00 1.99 H new ATOM 0 HD12 ILE A 23 -8.513 8.171 -4.516 1.00 1.99 H new ATOM 0 HD13 ILE A 23 -7.231 7.734 -3.363 1.00 1.99 H new ATOM 339 N LEU A 24 -4.755 6.565 -6.226 1.00 0.65 N ATOM 340 CA LEU A 24 -4.297 5.629 -7.230 1.00 0.64 C ATOM 341 C LEU A 24 -5.038 5.911 -8.540 1.00 0.70 C ATOM 342 O LEU A 24 -5.497 7.018 -8.786 1.00 0.77 O ATOM 343 CB LEU A 24 -4.604 4.228 -6.679 1.00 0.62 C ATOM 344 CG LEU A 24 -3.921 3.991 -5.325 1.00 0.60 C ATOM 345 CD1 LEU A 24 -4.421 2.684 -4.739 1.00 0.66 C ATOM 346 CD2 LEU A 24 -2.411 3.940 -5.519 1.00 0.57 C ATOM 0 H LEU A 24 -5.590 6.234 -5.743 1.00 0.65 H new ATOM 0 HA LEU A 24 -3.231 5.715 -7.440 1.00 0.64 H new ATOM 0 HB2 LEU A 24 -5.682 4.108 -6.569 1.00 0.62 H new ATOM 0 HB3 LEU A 24 -4.270 3.475 -7.392 1.00 0.62 H new ATOM 0 HG LEU A 24 -4.159 4.805 -4.640 1.00 0.60 H new ATOM 0 HD11 LEU A 24 -3.940 2.509 -3.777 1.00 0.66 H new ATOM 0 HD12 LEU A 24 -5.501 2.737 -4.600 1.00 0.66 H new ATOM 0 HD13 LEU A 24 -4.182 1.866 -5.418 1.00 0.66 H new ATOM 0 HD21 LEU A 24 -1.926 3.772 -4.557 1.00 0.57 H new ATOM 0 HD22 LEU A 24 -2.159 3.127 -6.200 1.00 0.57 H new ATOM 0 HD23 LEU A 24 -2.066 4.885 -5.939 1.00 0.57 H new ATOM 358 N GLU A 25 -5.175 4.908 -9.395 1.00 0.74 N ATOM 359 CA GLU A 25 -6.063 4.922 -10.540 1.00 0.83 C ATOM 360 C GLU A 25 -6.359 3.461 -10.895 1.00 0.90 C ATOM 361 O GLU A 25 -5.969 2.560 -10.151 1.00 0.86 O ATOM 362 CB GLU A 25 -5.394 5.667 -11.702 1.00 0.90 C ATOM 363 CG GLU A 25 -4.040 5.050 -12.059 1.00 1.00 C ATOM 364 CD GLU A 25 -3.645 5.306 -13.509 1.00 1.32 C ATOM 365 OE1 GLU A 25 -3.455 4.288 -14.212 1.00 2.49 O ATOM 366 OE2 GLU A 25 -3.543 6.493 -13.891 1.00 1.39 O ATOM 0 H GLU A 25 -4.653 4.036 -9.305 1.00 0.74 H new ATOM 0 HA GLU A 25 -6.996 5.442 -10.323 1.00 0.83 H new ATOM 0 HB2 GLU A 25 -6.047 5.644 -12.574 1.00 0.90 H new ATOM 0 HB3 GLU A 25 -5.258 6.715 -11.434 1.00 0.90 H new ATOM 0 HG2 GLU A 25 -3.274 5.458 -11.400 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -4.076 3.975 -11.880 1.00 1.00 H new ATOM 373 N GLU A 26 -6.976 3.204 -12.049 1.00 1.25 N ATOM 374 CA GLU A 26 -7.212 1.853 -12.529 1.00 1.43 C ATOM 375 C GLU A 26 -6.354 1.646 -13.776 1.00 1.40 C ATOM 376 O GLU A 26 -6.805 1.844 -14.901 1.00 1.37 O ATOM 377 CB GLU A 26 -8.719 1.652 -12.753 1.00 1.47 C ATOM 378 CG GLU A 26 -9.048 0.207 -13.146 1.00 1.68 C ATOM 379 CD GLU A 26 -10.556 -0.063 -13.127 1.00 1.71 C ATOM 380 OE1 GLU A 26 -11.294 0.711 -13.777 1.00 2.20 O ATOM 381 OE2 GLU A 26 -10.954 -1.057 -12.478 1.00 2.61 O ATOM 0 H GLU A 26 -7.324 3.931 -12.674 1.00 1.25 H new ATOM 0 HA GLU A 26 -6.918 1.093 -11.805 1.00 1.43 H new ATOM 0 HB2 GLU A 26 -9.260 1.914 -11.843 1.00 1.47 H new ATOM 0 HB3 GLU A 26 -9.064 2.329 -13.535 1.00 1.47 H new ATOM 0 HG2 GLU A 26 -8.656 0.004 -14.142 1.00 1.68 H new ATOM 0 HG3 GLU A 26 -8.548 -0.478 -12.461 1.00 1.68 H new ATOM 388 N GLY A 27 -5.087 1.284 -13.559 1.00 2.02 N ATOM 389 CA GLY A 27 -4.097 1.162 -14.619 1.00 2.49 C ATOM 390 C GLY A 27 -2.702 1.029 -14.016 1.00 1.98 C ATOM 391 O GLY A 27 -1.931 0.162 -14.418 1.00 1.81 O ATOM 0 H GLY A 27 -4.721 1.066 -12.632 1.00 2.02 H new ATOM 0 HA2 GLY A 27 -4.319 0.292 -15.237 1.00 2.49 H new ATOM 0 HA3 GLY A 27 -4.139 2.035 -15.270 1.00 2.49 H new ATOM 395 N GLU A 28 -2.408 1.886 -13.037 1.00 1.99 N ATOM 396 CA GLU A 28 -1.166 1.932 -12.280 1.00 1.56 C ATOM 397 C GLU A 28 -0.769 0.578 -11.705 1.00 1.14 C ATOM 398 O GLU A 28 -1.601 -0.284 -11.415 1.00 1.07 O ATOM 399 CB GLU A 28 -1.299 2.944 -11.130 1.00 1.43 C ATOM 400 CG GLU A 28 -0.596 4.265 -11.449 1.00 1.58 C ATOM 401 CD GLU A 28 0.874 4.161 -11.061 1.00 2.53 C ATOM 402 OE1 GLU A 28 1.283 4.955 -10.181 1.00 3.23 O ATOM 403 OE2 GLU A 28 1.537 3.237 -11.581 1.00 3.65 O ATOM 0 H GLU A 28 -3.069 2.603 -12.738 1.00 1.99 H new ATOM 0 HA GLU A 28 -0.384 2.234 -12.977 1.00 1.56 H new ATOM 0 HB2 GLU A 28 -2.354 3.133 -10.933 1.00 1.43 H new ATOM 0 HB3 GLU A 28 -0.876 2.518 -10.220 1.00 1.43 H new ATOM 0 HG2 GLU A 28 -0.688 4.492 -12.511 1.00 1.58 H new ATOM 0 HG3 GLU A 28 -1.070 5.083 -10.906 1.00 1.58 H new ATOM 410 N ASP A 29 0.531 0.436 -11.465 1.00 1.05 N ATOM 411 CA ASP A 29 1.085 -0.727 -10.807 1.00 0.81 C ATOM 412 C ASP A 29 0.741 -0.626 -9.326 1.00 0.67 C ATOM 413 O ASP A 29 1.119 0.320 -8.630 1.00 0.63 O ATOM 414 CB ASP A 29 2.600 -0.801 -11.006 1.00 1.08 C ATOM 415 CG ASP A 29 2.975 -1.353 -12.379 1.00 2.02 C ATOM 416 OD1 ASP A 29 2.505 -2.476 -12.671 1.00 3.39 O ATOM 417 OD2 ASP A 29 3.749 -0.676 -13.089 1.00 2.38 O ATOM 0 H ASP A 29 1.228 1.133 -11.726 1.00 1.05 H new ATOM 0 HA ASP A 29 0.663 -1.636 -11.235 1.00 0.81 H new ATOM 0 HB2 ASP A 29 3.029 0.194 -10.887 1.00 1.08 H new ATOM 0 HB3 ASP A 29 3.036 -1.432 -10.231 1.00 1.08 H new ATOM 422 N VAL A 30 0.031 -1.628 -8.819 1.00 0.66 N ATOM 423 CA VAL A 30 -0.439 -1.682 -7.453 1.00 0.61 C ATOM 424 C VAL A 30 -0.084 -3.052 -6.894 1.00 0.58 C ATOM 425 O VAL A 30 0.585 -3.848 -7.562 1.00 0.89 O ATOM 426 CB VAL A 30 -1.936 -1.326 -7.373 1.00 0.81 C ATOM 427 CG1 VAL A 30 -2.194 0.095 -7.889 1.00 0.92 C ATOM 428 CG2 VAL A 30 -2.827 -2.312 -8.137 1.00 1.01 C ATOM 0 H VAL A 30 -0.237 -2.445 -9.368 1.00 0.66 H new ATOM 0 HA VAL A 30 0.050 -0.933 -6.830 1.00 0.61 H new ATOM 0 HB VAL A 30 -2.200 -1.388 -6.317 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -3.259 0.319 -7.821 1.00 0.92 H new ATOM 0 HG12 VAL A 30 -1.633 0.809 -7.285 1.00 0.92 H new ATOM 0 HG13 VAL A 30 -1.874 0.168 -8.928 1.00 0.92 H new ATOM 0 HG21 VAL A 30 -3.870 -2.008 -8.043 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -2.544 -2.318 -9.190 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -2.702 -3.312 -7.722 1.00 1.01 H new ATOM 438 N ARG A 31 -0.472 -3.311 -5.647 1.00 0.54 N ATOM 439 CA ARG A 31 -0.093 -4.494 -4.905 1.00 0.45 C ATOM 440 C ARG A 31 -1.127 -4.737 -3.809 1.00 0.48 C ATOM 441 O ARG A 31 -1.991 -3.895 -3.554 1.00 0.74 O ATOM 442 CB ARG A 31 1.302 -4.274 -4.291 1.00 0.57 C ATOM 443 CG ARG A 31 2.420 -4.965 -5.083 1.00 0.80 C ATOM 444 CD ARG A 31 2.533 -6.434 -4.668 1.00 1.06 C ATOM 445 NE ARG A 31 3.127 -7.251 -5.735 1.00 1.70 N ATOM 446 CZ ARG A 31 3.626 -8.484 -5.578 1.00 2.14 C ATOM 447 NH1 ARG A 31 4.020 -9.180 -6.645 1.00 3.28 N ATOM 448 NH2 ARG A 31 3.722 -9.021 -4.361 1.00 2.27 N ATOM 0 H ARG A 31 -1.075 -2.682 -5.117 1.00 0.54 H new ATOM 0 HA ARG A 31 -0.057 -5.364 -5.561 1.00 0.45 H new ATOM 0 HB2 ARG A 31 1.507 -3.205 -4.241 1.00 0.57 H new ATOM 0 HB3 ARG A 31 1.305 -4.647 -3.267 1.00 0.57 H new ATOM 0 HG2 ARG A 31 2.215 -4.896 -6.151 1.00 0.80 H new ATOM 0 HG3 ARG A 31 3.368 -4.456 -4.907 1.00 0.80 H new ATOM 0 HD2 ARG A 31 3.141 -6.513 -3.767 1.00 1.06 H new ATOM 0 HD3 ARG A 31 1.544 -6.820 -4.420 1.00 1.06 H new ATOM 0 HE ARG A 31 3.162 -6.847 -6.671 1.00 1.70 H new ATOM 0 HH11 ARG A 31 3.941 -8.773 -7.577 1.00 3.28 H new ATOM 0 HH12 ARG A 31 4.401 -10.119 -6.529 1.00 3.28 H new ATOM 0 HH21 ARG A 31 3.415 -8.492 -3.545 1.00 2.27 H new ATOM 0 HH22 ARG A 31 4.103 -9.960 -4.247 1.00 2.27 H new ATOM 462 N ARG A 32 -1.012 -5.881 -3.133 1.00 0.61 N ATOM 463 CA ARG A 32 -1.906 -6.295 -2.066 1.00 0.67 C ATOM 464 C ARG A 32 -1.056 -6.805 -0.908 1.00 0.66 C ATOM 465 O ARG A 32 0.033 -7.325 -1.136 1.00 1.05 O ATOM 466 CB ARG A 32 -2.847 -7.386 -2.608 1.00 0.98 C ATOM 467 CG ARG A 32 -3.667 -8.109 -1.528 1.00 1.68 C ATOM 468 CD ARG A 32 -4.626 -7.167 -0.791 1.00 0.73 C ATOM 469 NE ARG A 32 -5.868 -6.960 -1.554 1.00 1.37 N ATOM 470 CZ ARG A 32 -6.909 -7.803 -1.588 1.00 1.90 C ATOM 471 NH1 ARG A 32 -7.965 -7.529 -2.356 1.00 2.54 N ATOM 472 NH2 ARG A 32 -6.894 -8.922 -0.861 1.00 2.80 N ATOM 0 H ARG A 32 -0.273 -6.558 -3.322 1.00 0.61 H new ATOM 0 HA ARG A 32 -2.519 -5.468 -1.709 1.00 0.67 H new ATOM 0 HB2 ARG A 32 -3.532 -6.935 -3.326 1.00 0.98 H new ATOM 0 HB3 ARG A 32 -2.255 -8.122 -3.152 1.00 0.98 H new ATOM 0 HG2 ARG A 32 -4.237 -8.916 -1.989 1.00 1.68 H new ATOM 0 HG3 ARG A 32 -2.989 -8.568 -0.808 1.00 1.68 H new ATOM 0 HD2 ARG A 32 -4.864 -7.581 0.189 1.00 0.73 H new ATOM 0 HD3 ARG A 32 -4.137 -6.208 -0.621 1.00 0.73 H new ATOM 0 HE ARG A 32 -5.942 -6.103 -2.103 1.00 1.37 H new ATOM 0 HH11 ARG A 32 -7.980 -6.678 -2.918 1.00 2.54 H new ATOM 0 HH12 ARG A 32 -8.757 -8.171 -2.382 1.00 2.54 H new ATOM 0 HH21 ARG A 32 -6.087 -9.139 -0.276 1.00 2.80 H new ATOM 0 HH22 ARG A 32 -7.689 -9.560 -0.891 1.00 2.80 H new ATOM 486 N LEU A 33 -1.574 -6.679 0.315 1.00 0.49 N ATOM 487 CA LEU A 33 -1.001 -7.186 1.552 1.00 0.44 C ATOM 488 C LEU A 33 -2.122 -7.809 2.380 1.00 0.42 C ATOM 489 O LEU A 33 -3.290 -7.473 2.172 1.00 0.44 O ATOM 490 CB LEU A 33 -0.268 -6.069 2.322 1.00 0.42 C ATOM 491 CG LEU A 33 -0.857 -4.670 2.113 1.00 0.47 C ATOM 492 CD1 LEU A 33 -0.699 -3.833 3.378 1.00 0.69 C ATOM 493 CD2 LEU A 33 -0.131 -3.942 0.980 1.00 0.71 C ATOM 0 H LEU A 33 -2.456 -6.191 0.472 1.00 0.49 H new ATOM 0 HA LEU A 33 -0.253 -7.948 1.333 1.00 0.44 H new ATOM 0 HB2 LEU A 33 -0.288 -6.304 3.386 1.00 0.42 H new ATOM 0 HB3 LEU A 33 0.778 -6.060 2.017 1.00 0.42 H new ATOM 0 HG LEU A 33 -1.912 -4.792 1.866 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -1.122 -2.842 3.214 1.00 0.69 H new ATOM 0 HD12 LEU A 33 -1.221 -4.318 4.203 1.00 0.69 H new ATOM 0 HD13 LEU A 33 0.359 -3.740 3.623 1.00 0.69 H new ATOM 0 HD21 LEU A 33 -0.564 -2.951 0.848 1.00 0.71 H new ATOM 0 HD22 LEU A 33 0.926 -3.846 1.228 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -0.237 -4.510 0.056 1.00 0.71 H new ATOM 505 N PRO A 34 -1.782 -8.720 3.306 1.00 0.45 N ATOM 506 CA PRO A 34 -2.755 -9.501 4.054 1.00 0.54 C ATOM 507 C PRO A 34 -3.582 -8.628 4.992 1.00 0.59 C ATOM 508 O PRO A 34 -4.724 -8.967 5.283 1.00 0.73 O ATOM 509 CB PRO A 34 -1.961 -10.572 4.800 1.00 0.62 C ATOM 510 CG PRO A 34 -0.564 -9.972 4.926 1.00 0.56 C ATOM 511 CD PRO A 34 -0.426 -9.061 3.711 1.00 0.47 C ATOM 0 HA PRO A 34 -3.485 -9.962 3.389 1.00 0.54 H new ATOM 0 HB2 PRO A 34 -2.395 -10.783 5.777 1.00 0.62 H new ATOM 0 HB3 PRO A 34 -1.944 -11.513 4.249 1.00 0.62 H new ATOM 0 HG2 PRO A 34 -0.455 -9.413 5.855 1.00 0.56 H new ATOM 0 HG3 PRO A 34 0.202 -10.748 4.929 1.00 0.56 H new ATOM 0 HD2 PRO A 34 0.144 -8.165 3.958 1.00 0.47 H new ATOM 0 HD3 PRO A 34 0.107 -9.565 2.904 1.00 0.47 H new ATOM 519 N CYS A 35 -3.073 -7.454 5.382 1.00 0.56 N ATOM 520 CA CYS A 35 -3.852 -6.433 6.077 1.00 0.65 C ATOM 521 C CYS A 35 -4.762 -5.681 5.081 1.00 0.72 C ATOM 522 O CYS A 35 -4.933 -4.469 5.203 1.00 1.20 O ATOM 523 CB CYS A 35 -2.846 -5.498 6.767 1.00 0.79 C ATOM 524 SG CYS A 35 -3.643 -4.242 7.811 1.00 1.62 S ATOM 0 H CYS A 35 -2.102 -7.188 5.221 1.00 0.56 H new ATOM 0 HA CYS A 35 -4.516 -6.872 6.822 1.00 0.65 H new ATOM 0 HB2 CYS A 35 -2.166 -6.092 7.378 1.00 0.79 H new ATOM 0 HB3 CYS A 35 -2.241 -5.001 6.009 1.00 0.79 H new ATOM 529 N MET A 36 -5.353 -6.392 4.106 1.00 0.58 N ATOM 530 CA MET A 36 -6.469 -5.985 3.256 1.00 0.69 C ATOM 531 C MET A 36 -6.367 -4.531 2.820 1.00 0.69 C ATOM 532 O MET A 36 -7.335 -3.775 2.859 1.00 1.01 O ATOM 533 CB MET A 36 -7.809 -6.316 3.931 1.00 0.88 C ATOM 534 CG MET A 36 -7.987 -5.642 5.297 1.00 2.23 C ATOM 535 SD MET A 36 -9.668 -5.752 5.962 1.00 3.35 S ATOM 536 CE MET A 36 -10.463 -4.439 4.996 1.00 4.52 C ATOM 0 H MET A 36 -5.035 -7.334 3.880 1.00 0.58 H new ATOM 0 HA MET A 36 -6.417 -6.564 2.334 1.00 0.69 H new ATOM 0 HB2 MET A 36 -8.623 -6.010 3.274 1.00 0.88 H new ATOM 0 HB3 MET A 36 -7.888 -7.396 4.054 1.00 0.88 H new ATOM 0 HG2 MET A 36 -7.296 -6.097 6.007 1.00 2.23 H new ATOM 0 HG3 MET A 36 -7.710 -4.591 5.211 1.00 2.23 H new ATOM 0 HE1 MET A 36 -10.873 -3.688 5.671 1.00 4.52 H new ATOM 0 HE2 MET A 36 -9.728 -3.974 4.339 1.00 4.52 H new ATOM 0 HE3 MET A 36 -11.267 -4.865 4.396 1.00 4.52 H new ATOM 546 N HIS A 37 -5.179 -4.154 2.362 1.00 0.70 N ATOM 547 CA HIS A 37 -4.857 -2.778 2.066 1.00 0.64 C ATOM 548 C HIS A 37 -4.286 -2.767 0.652 1.00 0.61 C ATOM 549 O HIS A 37 -3.356 -3.513 0.347 1.00 0.85 O ATOM 550 CB HIS A 37 -3.896 -2.231 3.143 1.00 0.67 C ATOM 551 CG HIS A 37 -4.547 -1.291 4.140 1.00 0.79 C ATOM 552 ND1 HIS A 37 -4.384 -1.266 5.537 1.00 0.88 N ATOM 553 CD2 HIS A 37 -5.351 -0.245 3.776 1.00 1.01 C ATOM 554 CE1 HIS A 37 -5.121 -0.229 5.964 1.00 1.13 C ATOM 555 NE2 HIS A 37 -5.711 0.404 4.935 1.00 1.21 N ATOM 0 H HIS A 37 -4.413 -4.804 2.187 1.00 0.70 H new ATOM 0 HA HIS A 37 -5.723 -2.116 2.093 1.00 0.64 H new ATOM 0 HB2 HIS A 37 -3.460 -3.070 3.684 1.00 0.67 H new ATOM 0 HB3 HIS A 37 -3.076 -1.708 2.650 1.00 0.67 H new ATOM 0 HD2 HIS A 37 -5.646 0.020 2.772 1.00 1.01 H new ATOM 0 HE1 HIS A 37 -5.226 0.060 6.999 1.00 1.13 H new ATOM 0 HE2 HIS A 37 -6.318 1.221 5.002 1.00 1.21 H new ATOM 563 N LEU A 38 -4.896 -1.986 -0.239 1.00 0.85 N ATOM 564 CA LEU A 38 -4.459 -1.860 -1.619 1.00 0.82 C ATOM 565 C LEU A 38 -3.393 -0.766 -1.636 1.00 0.72 C ATOM 566 O LEU A 38 -3.702 0.375 -1.304 1.00 0.72 O ATOM 567 CB LEU A 38 -5.686 -1.501 -2.476 1.00 0.93 C ATOM 568 CG LEU A 38 -5.486 -1.702 -3.985 1.00 1.23 C ATOM 569 CD1 LEU A 38 -6.780 -1.335 -4.715 1.00 1.59 C ATOM 570 CD2 LEU A 38 -4.350 -0.842 -4.525 1.00 2.35 C ATOM 0 H LEU A 38 -5.715 -1.420 -0.016 1.00 0.85 H new ATOM 0 HA LEU A 38 -4.033 -2.778 -2.025 1.00 0.82 H new ATOM 0 HB2 LEU A 38 -6.532 -2.107 -2.150 1.00 0.93 H new ATOM 0 HB3 LEU A 38 -5.950 -0.460 -2.292 1.00 0.93 H new ATOM 0 HG LEU A 38 -5.229 -2.748 -4.154 1.00 1.23 H new ATOM 0 HD11 LEU A 38 -6.645 -1.475 -5.787 1.00 1.59 H new ATOM 0 HD12 LEU A 38 -7.590 -1.975 -4.364 1.00 1.59 H new ATOM 0 HD13 LEU A 38 -7.028 -0.293 -4.514 1.00 1.59 H new ATOM 0 HD21 LEU A 38 -4.241 -1.014 -5.596 1.00 2.35 H new ATOM 0 HD22 LEU A 38 -4.574 0.210 -4.347 1.00 2.35 H new ATOM 0 HD23 LEU A 38 -3.421 -1.106 -4.019 1.00 2.35 H new ATOM 582 N PHE A 39 -2.146 -1.096 -1.983 1.00 0.71 N ATOM 583 CA PHE A 39 -1.047 -0.131 -2.024 1.00 0.70 C ATOM 584 C PHE A 39 -0.531 -0.022 -3.460 1.00 0.70 C ATOM 585 O PHE A 39 -0.798 -0.890 -4.285 1.00 0.87 O ATOM 586 CB PHE A 39 0.098 -0.566 -1.090 1.00 0.79 C ATOM 587 CG PHE A 39 -0.083 -0.415 0.414 1.00 0.77 C ATOM 588 CD1 PHE A 39 0.996 -0.774 1.235 1.00 2.25 C ATOM 589 CD2 PHE A 39 -1.261 0.069 1.017 1.00 1.79 C ATOM 590 CE1 PHE A 39 0.910 -0.697 2.631 1.00 2.47 C ATOM 591 CE2 PHE A 39 -1.352 0.157 2.417 1.00 1.68 C ATOM 592 CZ PHE A 39 -0.272 -0.234 3.227 1.00 1.09 C ATOM 0 H PHE A 39 -1.871 -2.043 -2.244 1.00 0.71 H new ATOM 0 HA PHE A 39 -1.414 0.838 -1.685 1.00 0.70 H new ATOM 0 HB2 PHE A 39 0.308 -1.616 -1.293 1.00 0.79 H new ATOM 0 HB3 PHE A 39 0.987 -0.002 -1.373 1.00 0.79 H new ATOM 0 HD1 PHE A 39 1.914 -1.117 0.781 1.00 2.25 H new ATOM 0 HD2 PHE A 39 -2.095 0.373 0.402 1.00 1.79 H new ATOM 0 HE1 PHE A 39 1.748 -0.992 3.244 1.00 2.47 H new ATOM 0 HE2 PHE A 39 -2.258 0.528 2.873 1.00 1.68 H new ATOM 0 HZ PHE A 39 -0.352 -0.178 4.303 1.00 1.09 H new ATOM 602 N HIS A 40 0.247 1.018 -3.771 1.00 0.62 N ATOM 603 CA HIS A 40 1.026 1.036 -5.009 1.00 0.56 C ATOM 604 C HIS A 40 2.095 -0.047 -4.958 1.00 0.55 C ATOM 605 O HIS A 40 2.535 -0.431 -3.877 1.00 0.72 O ATOM 606 CB HIS A 40 1.781 2.354 -5.148 1.00 0.59 C ATOM 607 CG HIS A 40 1.096 3.466 -5.874 1.00 0.56 C ATOM 608 ND1 HIS A 40 1.105 4.772 -5.403 1.00 0.60 N ATOM 609 CD2 HIS A 40 0.702 3.447 -7.179 1.00 0.60 C ATOM 610 CE1 HIS A 40 0.699 5.530 -6.434 1.00 0.72 C ATOM 611 NE2 HIS A 40 0.444 4.758 -7.511 1.00 0.73 N ATOM 0 H HIS A 40 0.353 1.849 -3.189 1.00 0.62 H new ATOM 0 HA HIS A 40 0.330 0.889 -5.835 1.00 0.56 H new ATOM 0 HB2 HIS A 40 2.029 2.707 -4.147 1.00 0.59 H new ATOM 0 HB3 HIS A 40 2.723 2.150 -5.656 1.00 0.59 H new ATOM 0 HD2 HIS A 40 0.611 2.582 -7.820 1.00 0.60 H new ATOM 0 HE1 HIS A 40 0.592 6.604 -6.405 1.00 0.72 H new ATOM 0 HE2 HIS A 40 0.116 5.090 -8.418 1.00 0.73 H new ATOM 619 N GLN A 41 2.596 -0.439 -6.130 1.00 0.43 N ATOM 620 CA GLN A 41 3.727 -1.337 -6.247 1.00 0.43 C ATOM 621 C GLN A 41 5.003 -0.676 -5.728 1.00 0.58 C ATOM 622 O GLN A 41 5.582 -1.159 -4.765 1.00 1.28 O ATOM 623 CB GLN A 41 3.845 -1.795 -7.701 1.00 0.47 C ATOM 624 CG GLN A 41 4.871 -2.925 -7.852 1.00 1.18 C ATOM 625 CD GLN A 41 4.609 -3.785 -9.087 1.00 1.26 C ATOM 626 OE1 GLN A 41 5.503 -4.032 -9.883 1.00 1.80 O ATOM 627 NE2 GLN A 41 3.388 -4.287 -9.264 1.00 1.26 N ATOM 0 H GLN A 41 2.219 -0.135 -7.028 1.00 0.43 H new ATOM 0 HA GLN A 41 3.573 -2.219 -5.625 1.00 0.43 H new ATOM 0 HB2 GLN A 41 2.872 -2.135 -8.057 1.00 0.47 H new ATOM 0 HB3 GLN A 41 4.136 -0.951 -8.327 1.00 0.47 H new ATOM 0 HG2 GLN A 41 5.872 -2.498 -7.915 1.00 1.18 H new ATOM 0 HG3 GLN A 41 4.849 -3.554 -6.962 1.00 1.18 H new ATOM 0 HE21 GLN A 41 2.648 -4.076 -8.595 1.00 1.26 H new ATOM 0 HE22 GLN A 41 3.193 -4.883 -10.069 1.00 1.26 H new ATOM 636 N VAL A 42 5.447 0.432 -6.327 1.00 0.47 N ATOM 637 CA VAL A 42 6.713 1.056 -5.933 1.00 0.47 C ATOM 638 C VAL A 42 6.693 1.437 -4.449 1.00 0.44 C ATOM 639 O VAL A 42 7.668 1.209 -3.731 1.00 0.38 O ATOM 640 CB VAL A 42 7.029 2.263 -6.835 1.00 0.54 C ATOM 641 CG1 VAL A 42 8.388 2.878 -6.481 1.00 0.79 C ATOM 642 CG2 VAL A 42 7.070 1.841 -8.310 1.00 0.68 C ATOM 0 H VAL A 42 4.954 0.912 -7.080 1.00 0.47 H new ATOM 0 HA VAL A 42 7.516 0.331 -6.069 1.00 0.47 H new ATOM 0 HB VAL A 42 6.239 2.997 -6.674 1.00 0.54 H new ATOM 0 HG11 VAL A 42 8.584 3.728 -7.134 1.00 0.79 H new ATOM 0 HG12 VAL A 42 8.377 3.213 -5.444 1.00 0.79 H new ATOM 0 HG13 VAL A 42 9.171 2.131 -6.613 1.00 0.79 H new ATOM 0 HG21 VAL A 42 7.295 2.708 -8.931 1.00 0.68 H new ATOM 0 HG22 VAL A 42 7.842 1.084 -8.451 1.00 0.68 H new ATOM 0 HG23 VAL A 42 6.102 1.430 -8.598 1.00 0.68 H new ATOM 652 N CYS A 43 5.582 2.008 -3.972 1.00 0.53 N ATOM 653 CA CYS A 43 5.461 2.396 -2.577 1.00 0.55 C ATOM 654 C CYS A 43 5.621 1.156 -1.690 1.00 0.51 C ATOM 655 O CYS A 43 6.392 1.182 -0.732 1.00 0.48 O ATOM 656 CB CYS A 43 4.097 3.059 -2.337 1.00 0.61 C ATOM 657 SG CYS A 43 3.886 4.504 -3.427 1.00 0.63 S ATOM 0 H CYS A 43 4.757 2.209 -4.538 1.00 0.53 H new ATOM 0 HA CYS A 43 6.242 3.114 -2.326 1.00 0.55 H new ATOM 0 HB2 CYS A 43 3.299 2.339 -2.520 1.00 0.61 H new ATOM 0 HB3 CYS A 43 4.015 3.368 -1.295 1.00 0.61 H new ATOM 662 N VAL A 44 4.886 0.071 -1.966 1.00 0.52 N ATOM 663 CA VAL A 44 4.960 -1.092 -1.102 1.00 0.48 C ATOM 664 C VAL A 44 6.284 -1.833 -1.241 1.00 0.39 C ATOM 665 O VAL A 44 6.638 -2.589 -0.347 1.00 0.37 O ATOM 666 CB VAL A 44 3.763 -2.019 -1.301 1.00 0.63 C ATOM 667 CG1 VAL A 44 3.929 -2.969 -2.472 1.00 0.65 C ATOM 668 CG2 VAL A 44 3.563 -2.897 -0.073 1.00 0.73 C ATOM 0 H VAL A 44 4.253 -0.017 -2.761 1.00 0.52 H new ATOM 0 HA VAL A 44 4.917 -0.726 -0.076 1.00 0.48 H new ATOM 0 HB VAL A 44 2.916 -1.357 -1.484 1.00 0.63 H new ATOM 0 HG11 VAL A 44 3.044 -3.599 -2.558 1.00 0.65 H new ATOM 0 HG12 VAL A 44 4.057 -2.396 -3.390 1.00 0.65 H new ATOM 0 HG13 VAL A 44 4.806 -3.596 -2.311 1.00 0.65 H new ATOM 0 HG21 VAL A 44 2.706 -3.552 -0.230 1.00 0.73 H new ATOM 0 HG22 VAL A 44 4.456 -3.500 0.092 1.00 0.73 H new ATOM 0 HG23 VAL A 44 3.384 -2.268 0.799 1.00 0.73 H new ATOM 678 N ASP A 45 7.008 -1.656 -2.342 1.00 0.40 N ATOM 679 CA ASP A 45 8.316 -2.271 -2.512 1.00 0.42 C ATOM 680 C ASP A 45 9.216 -1.731 -1.413 1.00 0.38 C ATOM 681 O ASP A 45 9.692 -2.487 -0.568 1.00 0.40 O ATOM 682 CB ASP A 45 8.903 -1.987 -3.907 1.00 0.51 C ATOM 683 CG ASP A 45 8.604 -3.076 -4.939 1.00 1.77 C ATOM 684 OD1 ASP A 45 8.090 -4.147 -4.545 1.00 2.98 O ATOM 685 OD2 ASP A 45 8.924 -2.823 -6.122 1.00 2.79 O ATOM 0 H ASP A 45 6.707 -1.087 -3.133 1.00 0.40 H new ATOM 0 HA ASP A 45 8.232 -3.355 -2.438 1.00 0.42 H new ATOM 0 HB2 ASP A 45 8.508 -1.038 -4.270 1.00 0.51 H new ATOM 0 HB3 ASP A 45 9.983 -1.870 -3.819 1.00 0.51 H new ATOM 690 N GLN A 46 9.424 -0.412 -1.371 1.00 0.37 N ATOM 691 CA GLN A 46 10.258 0.140 -0.311 1.00 0.42 C ATOM 692 C GLN A 46 9.636 -0.059 1.066 1.00 0.41 C ATOM 693 O GLN A 46 10.366 -0.211 2.038 1.00 0.49 O ATOM 694 CB GLN A 46 10.612 1.610 -0.561 1.00 0.50 C ATOM 695 CG GLN A 46 11.621 1.732 -1.712 1.00 0.61 C ATOM 696 CD GLN A 46 12.285 3.108 -1.753 1.00 1.45 C ATOM 697 OE1 GLN A 46 12.667 3.662 -0.731 1.00 2.38 O ATOM 698 NE2 GLN A 46 12.470 3.681 -2.936 1.00 2.39 N ATOM 0 H GLN A 46 9.043 0.266 -2.031 1.00 0.37 H new ATOM 0 HA GLN A 46 11.192 -0.421 -0.327 1.00 0.42 H new ATOM 0 HB2 GLN A 46 9.709 2.172 -0.800 1.00 0.50 H new ATOM 0 HB3 GLN A 46 11.030 2.049 0.345 1.00 0.50 H new ATOM 0 HG2 GLN A 46 12.387 0.964 -1.605 1.00 0.61 H new ATOM 0 HG3 GLN A 46 11.114 1.547 -2.659 1.00 0.61 H new ATOM 0 HE21 GLN A 46 12.149 3.214 -3.784 1.00 2.39 H new ATOM 0 HE22 GLN A 46 12.933 4.588 -2.997 1.00 2.39 H new ATOM 707 N ALA A 47 8.311 -0.107 1.179 1.00 0.35 N ATOM 708 CA ALA A 47 7.688 -0.421 2.454 1.00 0.36 C ATOM 709 C ALA A 47 8.203 -1.762 2.983 1.00 0.34 C ATOM 710 O ALA A 47 8.792 -1.822 4.057 1.00 0.39 O ATOM 711 CB ALA A 47 6.173 -0.440 2.281 1.00 0.40 C ATOM 0 H ALA A 47 7.659 0.065 0.413 1.00 0.35 H new ATOM 0 HA ALA A 47 7.947 0.343 3.187 1.00 0.36 H new ATOM 0 HB1 ALA A 47 5.701 -0.675 3.235 1.00 0.40 H new ATOM 0 HB2 ALA A 47 5.834 0.538 1.939 1.00 0.40 H new ATOM 0 HB3 ALA A 47 5.900 -1.196 1.545 1.00 0.40 H new ATOM 717 N LEU A 48 7.981 -2.828 2.217 1.00 0.32 N ATOM 718 CA LEU A 48 8.289 -4.208 2.546 1.00 0.38 C ATOM 719 C LEU A 48 9.776 -4.374 2.835 1.00 0.44 C ATOM 720 O LEU A 48 10.131 -4.975 3.846 1.00 0.50 O ATOM 721 CB LEU A 48 7.789 -5.099 1.396 1.00 0.44 C ATOM 722 CG LEU A 48 7.846 -6.607 1.691 1.00 0.56 C ATOM 723 CD1 LEU A 48 6.797 -7.328 0.836 1.00 0.84 C ATOM 724 CD2 LEU A 48 9.209 -7.225 1.363 1.00 0.81 C ATOM 0 H LEU A 48 7.555 -2.740 1.294 1.00 0.32 H new ATOM 0 HA LEU A 48 7.778 -4.514 3.459 1.00 0.38 H new ATOM 0 HB2 LEU A 48 6.760 -4.826 1.161 1.00 0.44 H new ATOM 0 HB3 LEU A 48 8.385 -4.892 0.507 1.00 0.44 H new ATOM 0 HG LEU A 48 7.659 -6.726 2.758 1.00 0.56 H new ATOM 0 HD11 LEU A 48 6.833 -8.398 1.041 1.00 0.84 H new ATOM 0 HD12 LEU A 48 5.805 -6.945 1.078 1.00 0.84 H new ATOM 0 HD13 LEU A 48 7.006 -7.154 -0.220 1.00 0.84 H new ATOM 0 HD21 LEU A 48 9.190 -8.291 1.591 1.00 0.81 H new ATOM 0 HD22 LEU A 48 9.427 -7.085 0.304 1.00 0.81 H new ATOM 0 HD23 LEU A 48 9.982 -6.740 1.960 1.00 0.81 H new ATOM 736 N ILE A 49 10.660 -3.867 1.967 1.00 0.48 N ATOM 737 CA ILE A 49 12.091 -4.000 2.214 1.00 0.58 C ATOM 738 C ILE A 49 12.493 -3.268 3.495 1.00 0.62 C ATOM 739 O ILE A 49 13.384 -3.729 4.202 1.00 0.71 O ATOM 740 CB ILE A 49 12.940 -3.582 1.000 1.00 0.65 C ATOM 741 CG1 ILE A 49 12.999 -2.066 0.773 1.00 0.63 C ATOM 742 CG2 ILE A 49 12.504 -4.335 -0.264 1.00 0.65 C ATOM 743 CD1 ILE A 49 14.283 -1.457 1.347 1.00 0.75 C ATOM 0 H ILE A 49 10.413 -3.373 1.109 1.00 0.48 H new ATOM 0 HA ILE A 49 12.301 -5.059 2.365 1.00 0.58 H new ATOM 0 HB ILE A 49 13.964 -3.872 1.235 1.00 0.65 H new ATOM 0 HG12 ILE A 49 12.942 -1.855 -0.295 1.00 0.63 H new ATOM 0 HG13 ILE A 49 12.133 -1.594 1.238 1.00 0.63 H new ATOM 0 HG21 ILE A 49 13.121 -4.020 -1.106 1.00 0.65 H new ATOM 0 HG22 ILE A 49 12.623 -5.407 -0.108 1.00 0.65 H new ATOM 0 HG23 ILE A 49 11.458 -4.113 -0.477 1.00 0.65 H new ATOM 0 HD11 ILE A 49 14.288 -0.382 1.167 1.00 0.75 H new ATOM 0 HD12 ILE A 49 14.327 -1.645 2.420 1.00 0.75 H new ATOM 0 HD13 ILE A 49 15.148 -1.910 0.863 1.00 0.75 H new ATOM 755 N THR A 50 11.858 -2.133 3.808 1.00 0.57 N ATOM 756 CA THR A 50 12.127 -1.432 5.051 1.00 0.63 C ATOM 757 C THR A 50 11.676 -2.288 6.239 1.00 0.63 C ATOM 758 O THR A 50 12.376 -2.362 7.247 1.00 0.73 O ATOM 759 CB THR A 50 11.466 -0.044 5.018 1.00 0.62 C ATOM 760 OG1 THR A 50 12.209 0.796 4.159 1.00 0.65 O ATOM 761 CG2 THR A 50 11.399 0.638 6.386 1.00 0.72 C ATOM 0 H THR A 50 11.158 -1.688 3.214 1.00 0.57 H new ATOM 0 HA THR A 50 13.198 -1.269 5.171 1.00 0.63 H new ATOM 0 HB THR A 50 10.444 -0.198 4.673 1.00 0.62 H new ATOM 0 HG1 THR A 50 11.845 0.740 3.251 1.00 0.65 H new ATOM 0 HG21 THR A 50 10.920 1.612 6.284 1.00 0.72 H new ATOM 0 HG22 THR A 50 10.821 0.020 7.073 1.00 0.72 H new ATOM 0 HG23 THR A 50 12.408 0.769 6.777 1.00 0.72 H new ATOM 769 N ASN A 51 10.504 -2.919 6.148 1.00 0.58 N ATOM 770 CA ASN A 51 10.026 -3.922 7.086 1.00 0.66 C ATOM 771 C ASN A 51 8.795 -4.574 6.468 1.00 0.57 C ATOM 772 O ASN A 51 7.944 -3.875 5.923 1.00 0.62 O ATOM 773 CB ASN A 51 9.621 -3.280 8.423 1.00 0.80 C ATOM 774 CG ASN A 51 10.635 -3.580 9.514 1.00 1.66 C ATOM 775 OD1 ASN A 51 10.902 -4.737 9.804 1.00 2.82 O ATOM 776 ND2 ASN A 51 11.167 -2.562 10.178 1.00 2.29 N ATOM 0 H ASN A 51 9.844 -2.736 5.392 1.00 0.58 H new ATOM 0 HA ASN A 51 10.817 -4.646 7.279 1.00 0.66 H new ATOM 0 HB2 ASN A 51 9.529 -2.201 8.297 1.00 0.80 H new ATOM 0 HB3 ASN A 51 8.641 -3.650 8.724 1.00 0.80 H new ATOM 0 HD21 ASN A 51 11.813 -2.737 10.948 1.00 2.29 H new ATOM 0 HD22 ASN A 51 10.930 -1.604 9.919 1.00 2.29 H new ATOM 783 N LYS A 52 8.631 -5.890 6.601 1.00 0.55 N ATOM 784 CA LYS A 52 7.430 -6.542 6.094 1.00 0.50 C ATOM 785 C LYS A 52 6.284 -6.348 7.082 1.00 0.52 C ATOM 786 O LYS A 52 5.791 -7.312 7.651 1.00 1.30 O ATOM 787 CB LYS A 52 7.675 -8.039 5.848 1.00 0.63 C ATOM 788 CG LYS A 52 8.888 -8.332 4.954 1.00 1.68 C ATOM 789 CD LYS A 52 10.017 -8.928 5.797 1.00 1.56 C ATOM 790 CE LYS A 52 11.189 -9.379 4.927 1.00 2.80 C ATOM 791 NZ LYS A 52 12.029 -10.336 5.673 1.00 3.35 N ATOM 0 H LYS A 52 9.303 -6.514 7.048 1.00 0.55 H new ATOM 0 HA LYS A 52 7.165 -6.086 5.140 1.00 0.50 H new ATOM 0 HB2 LYS A 52 7.815 -8.537 6.808 1.00 0.63 H new ATOM 0 HB3 LYS A 52 6.786 -8.472 5.390 1.00 0.63 H new ATOM 0 HG2 LYS A 52 8.608 -9.025 4.161 1.00 1.68 H new ATOM 0 HG3 LYS A 52 9.226 -7.415 4.471 1.00 1.68 H new ATOM 0 HD2 LYS A 52 10.362 -8.188 6.519 1.00 1.56 H new ATOM 0 HD3 LYS A 52 9.638 -9.777 6.367 1.00 1.56 H new ATOM 0 HE2 LYS A 52 10.818 -9.843 4.013 1.00 2.80 H new ATOM 0 HE3 LYS A 52 11.784 -8.516 4.627 1.00 2.80 H new ATOM 0 HZ1 LYS A 52 13.031 -10.165 5.451 1.00 3.35 H new ATOM 0 HZ2 LYS A 52 11.875 -10.211 6.694 1.00 3.35 H new ATOM 0 HZ3 LYS A 52 11.775 -11.307 5.401 1.00 3.35 H new ATOM 805 N LYS A 53 5.794 -5.125 7.275 1.00 0.66 N ATOM 806 CA LYS A 53 4.633 -4.923 8.126 1.00 0.65 C ATOM 807 C LYS A 53 3.833 -3.757 7.579 1.00 0.69 C ATOM 808 O LYS A 53 4.419 -2.759 7.169 1.00 0.93 O ATOM 809 CB LYS A 53 5.083 -4.745 9.581 1.00 0.87 C ATOM 810 CG LYS A 53 5.768 -3.410 9.899 1.00 1.98 C ATOM 811 CD LYS A 53 6.500 -3.539 11.242 1.00 2.20 C ATOM 812 CE LYS A 53 6.421 -2.238 12.043 1.00 3.38 C ATOM 813 NZ LYS A 53 7.002 -2.407 13.393 1.00 3.79 N ATOM 0 H LYS A 53 6.177 -4.276 6.860 1.00 0.66 H new ATOM 0 HA LYS A 53 3.975 -5.792 8.123 1.00 0.65 H new ATOM 0 HB2 LYS A 53 4.212 -4.851 10.228 1.00 0.87 H new ATOM 0 HB3 LYS A 53 5.768 -5.555 9.833 1.00 0.87 H new ATOM 0 HG2 LYS A 53 6.472 -3.149 9.109 1.00 1.98 H new ATOM 0 HG3 LYS A 53 5.030 -2.609 9.946 1.00 1.98 H new ATOM 0 HD2 LYS A 53 6.063 -4.352 11.821 1.00 2.20 H new ATOM 0 HD3 LYS A 53 7.544 -3.798 11.067 1.00 2.20 H new ATOM 0 HE2 LYS A 53 6.951 -1.448 11.512 1.00 3.38 H new ATOM 0 HE3 LYS A 53 5.381 -1.922 12.128 1.00 3.38 H new ATOM 0 HZ1 LYS A 53 6.935 -1.510 13.914 1.00 3.79 H new ATOM 0 HZ2 LYS A 53 6.479 -3.145 13.906 1.00 3.79 H new ATOM 0 HZ3 LYS A 53 8.001 -2.685 13.309 1.00 3.79 H new ATOM 827 N CYS A 54 2.507 -3.894 7.537 1.00 0.57 N ATOM 828 CA CYS A 54 1.626 -2.862 7.017 1.00 0.64 C ATOM 829 C CYS A 54 1.836 -1.626 7.905 1.00 0.74 C ATOM 830 O CYS A 54 1.532 -1.697 9.095 1.00 0.90 O ATOM 831 CB CYS A 54 0.182 -3.384 7.103 1.00 0.63 C ATOM 832 SG CYS A 54 -0.996 -2.127 6.506 1.00 0.82 S ATOM 0 H CYS A 54 2.018 -4.727 7.865 1.00 0.57 H new ATOM 0 HA CYS A 54 1.831 -2.605 5.978 1.00 0.64 H new ATOM 0 HB2 CYS A 54 0.083 -4.293 6.510 1.00 0.63 H new ATOM 0 HB3 CYS A 54 -0.053 -3.649 8.134 1.00 0.63 H new ATOM 837 N PRO A 55 2.357 -0.507 7.378 1.00 0.88 N ATOM 838 CA PRO A 55 2.794 0.622 8.189 1.00 1.10 C ATOM 839 C PRO A 55 1.607 1.312 8.853 1.00 1.34 C ATOM 840 O PRO A 55 1.700 1.746 9.996 1.00 2.07 O ATOM 841 CB PRO A 55 3.548 1.549 7.230 1.00 1.40 C ATOM 842 CG PRO A 55 2.968 1.213 5.857 1.00 1.42 C ATOM 843 CD PRO A 55 2.649 -0.274 5.976 1.00 1.05 C ATOM 0 HA PRO A 55 3.439 0.311 9.011 1.00 1.10 H new ATOM 0 HB2 PRO A 55 3.392 2.598 7.483 1.00 1.40 H new ATOM 0 HB3 PRO A 55 4.623 1.370 7.264 1.00 1.40 H new ATOM 0 HG2 PRO A 55 2.076 1.801 5.640 1.00 1.42 H new ATOM 0 HG3 PRO A 55 3.682 1.410 5.058 1.00 1.42 H new ATOM 0 HD2 PRO A 55 1.798 -0.542 5.350 1.00 1.05 H new ATOM 0 HD3 PRO A 55 3.492 -0.882 5.646 1.00 1.05 H new ATOM 851 N ILE A 56 0.487 1.413 8.135 1.00 1.71 N ATOM 852 CA ILE A 56 -0.743 2.000 8.650 1.00 2.03 C ATOM 853 C ILE A 56 -1.412 1.090 9.696 1.00 1.84 C ATOM 854 O ILE A 56 -2.305 1.548 10.404 1.00 2.51 O ATOM 855 CB ILE A 56 -1.659 2.357 7.458 1.00 2.42 C ATOM 856 CG1 ILE A 56 -2.924 3.150 7.822 1.00 2.72 C ATOM 857 CG2 ILE A 56 -2.096 1.108 6.685 1.00 3.52 C ATOM 858 CD1 ILE A 56 -2.599 4.502 8.458 1.00 3.02 C ATOM 0 H ILE A 56 0.412 1.086 7.172 1.00 1.71 H new ATOM 0 HA ILE A 56 -0.522 2.922 9.188 1.00 2.03 H new ATOM 0 HB ILE A 56 -1.031 3.003 6.844 1.00 2.42 H new ATOM 0 HG12 ILE A 56 -3.522 3.308 6.924 1.00 2.72 H new ATOM 0 HG13 ILE A 56 -3.532 2.564 8.511 1.00 2.72 H new ATOM 0 HG21 ILE A 56 -2.739 1.400 5.855 1.00 3.52 H new ATOM 0 HG22 ILE A 56 -1.216 0.593 6.299 1.00 3.52 H new ATOM 0 HG23 ILE A 56 -2.644 0.441 7.351 1.00 3.52 H new ATOM 0 HD11 ILE A 56 -3.526 5.024 8.697 1.00 3.02 H new ATOM 0 HD12 ILE A 56 -2.025 4.346 9.371 1.00 3.02 H new ATOM 0 HD13 ILE A 56 -2.015 5.101 7.760 1.00 3.02 H new ATOM 870 N CYS A 57 -0.990 -0.179 9.809 1.00 1.50 N ATOM 871 CA CYS A 57 -1.535 -1.129 10.771 1.00 1.47 C ATOM 872 C CYS A 57 -0.380 -1.615 11.668 1.00 1.68 C ATOM 873 O CYS A 57 0.003 -0.919 12.609 1.00 2.91 O ATOM 874 CB CYS A 57 -2.249 -2.280 10.022 1.00 1.17 C ATOM 875 SG CYS A 57 -3.462 -1.698 8.806 1.00 1.57 S ATOM 0 H CYS A 57 -0.252 -0.572 9.225 1.00 1.50 H new ATOM 0 HA CYS A 57 -2.287 -0.666 11.409 1.00 1.47 H new ATOM 0 HB2 CYS A 57 -1.503 -2.893 9.516 1.00 1.17 H new ATOM 0 HB3 CYS A 57 -2.750 -2.921 10.747 1.00 1.17 H new ATOM 880 N ARG A 58 0.172 -2.804 11.379 1.00 1.07 N ATOM 881 CA ARG A 58 1.336 -3.444 11.995 1.00 1.08 C ATOM 882 C ARG A 58 1.450 -4.921 11.636 1.00 1.11 C ATOM 883 O ARG A 58 2.503 -5.503 11.878 1.00 1.76 O ATOM 884 CB ARG A 58 1.402 -3.310 13.527 1.00 1.16 C ATOM 885 CG ARG A 58 2.723 -2.625 13.891 1.00 1.59 C ATOM 886 CD ARG A 58 2.866 -2.500 15.405 1.00 1.81 C ATOM 887 NE ARG A 58 1.900 -1.540 15.949 1.00 2.93 N ATOM 888 CZ ARG A 58 1.743 -1.277 17.251 1.00 3.58 C ATOM 889 NH1 ARG A 58 0.876 -0.344 17.644 1.00 5.26 N ATOM 890 NH2 ARG A 58 2.459 -1.946 18.157 1.00 3.31 N ATOM 0 H ARG A 58 -0.222 -3.390 10.643 1.00 1.07 H new ATOM 0 HA ARG A 58 2.176 -2.892 11.574 1.00 1.08 H new ATOM 0 HB2 ARG A 58 0.558 -2.727 13.894 1.00 1.16 H new ATOM 0 HB3 ARG A 58 1.340 -4.291 13.997 1.00 1.16 H new ATOM 0 HG2 ARG A 58 3.558 -3.197 13.488 1.00 1.59 H new ATOM 0 HG3 ARG A 58 2.764 -1.636 13.434 1.00 1.59 H new ATOM 0 HD2 ARG A 58 2.716 -3.475 15.869 1.00 1.81 H new ATOM 0 HD3 ARG A 58 3.879 -2.182 15.653 1.00 1.81 H new ATOM 0 HE ARG A 58 1.307 -1.038 15.289 1.00 2.93 H new ATOM 0 HH11 ARG A 58 0.331 0.170 16.952 1.00 5.26 H new ATOM 0 HH12 ARG A 58 0.757 -0.144 18.637 1.00 5.26 H new ATOM 0 HH21 ARG A 58 3.125 -2.657 17.856 1.00 3.31 H new ATOM 0 HH22 ARG A 58 2.340 -1.746 19.150 1.00 3.31 H new ATOM 904 N VAL A 59 0.380 -5.543 11.130 1.00 0.77 N ATOM 905 CA VAL A 59 0.387 -6.959 10.782 1.00 0.70 C ATOM 906 C VAL A 59 1.548 -7.228 9.821 1.00 0.61 C ATOM 907 O VAL A 59 1.804 -6.428 8.920 1.00 0.55 O ATOM 908 CB VAL A 59 -0.953 -7.371 10.140 1.00 0.67 C ATOM 909 CG1 VAL A 59 -1.118 -8.895 10.065 1.00 1.24 C ATOM 910 CG2 VAL A 59 -2.166 -6.819 10.904 1.00 1.36 C ATOM 0 H VAL A 59 -0.510 -5.077 10.952 1.00 0.77 H new ATOM 0 HA VAL A 59 0.517 -7.552 11.687 1.00 0.70 H new ATOM 0 HB VAL A 59 -0.920 -6.946 9.137 1.00 0.67 H new ATOM 0 HG11 VAL A 59 -2.077 -9.135 9.605 1.00 1.24 H new ATOM 0 HG12 VAL A 59 -0.312 -9.319 9.466 1.00 1.24 H new ATOM 0 HG13 VAL A 59 -1.082 -9.315 11.070 1.00 1.24 H new ATOM 0 HG21 VAL A 59 -3.083 -7.139 10.410 1.00 1.36 H new ATOM 0 HG22 VAL A 59 -2.154 -7.196 11.927 1.00 1.36 H new ATOM 0 HG23 VAL A 59 -2.122 -5.730 10.918 1.00 1.36 H new ATOM 920 N ASP A 60 2.232 -8.354 10.020 1.00 0.67 N ATOM 921 CA ASP A 60 3.220 -8.871 9.084 1.00 0.58 C ATOM 922 C ASP A 60 2.560 -9.091 7.726 1.00 0.58 C ATOM 923 O ASP A 60 1.374 -9.419 7.654 1.00 0.69 O ATOM 924 CB ASP A 60 3.787 -10.185 9.632 1.00 0.71 C ATOM 925 CG ASP A 60 4.724 -10.898 8.657 1.00 0.96 C ATOM 926 OD1 ASP A 60 5.394 -10.195 7.868 1.00 1.40 O ATOM 927 OD2 ASP A 60 4.751 -12.144 8.722 1.00 2.21 O ATOM 0 H ASP A 60 2.111 -8.938 10.848 1.00 0.67 H new ATOM 0 HA ASP A 60 4.036 -8.159 8.962 1.00 0.58 H new ATOM 0 HB2 ASP A 60 4.325 -9.981 10.558 1.00 0.71 H new ATOM 0 HB3 ASP A 60 2.962 -10.851 9.883 1.00 0.71 H new ATOM 932 N ILE A 61 3.320 -8.905 6.650 1.00 0.50 N ATOM 933 CA ILE A 61 2.855 -9.130 5.296 1.00 0.50 C ATOM 934 C ILE A 61 3.687 -10.142 4.522 1.00 0.56 C ATOM 935 O ILE A 61 3.283 -10.529 3.425 1.00 0.61 O ATOM 936 CB ILE A 61 2.818 -7.814 4.537 1.00 0.42 C ATOM 937 CG1 ILE A 61 4.239 -7.300 4.287 1.00 0.44 C ATOM 938 CG2 ILE A 61 1.971 -6.784 5.292 1.00 0.38 C ATOM 939 CD1 ILE A 61 4.188 -6.067 3.416 1.00 0.41 C ATOM 0 H ILE A 61 4.289 -8.589 6.701 1.00 0.50 H new ATOM 0 HA ILE A 61 1.854 -9.553 5.384 1.00 0.50 H new ATOM 0 HB ILE A 61 2.350 -7.980 3.566 1.00 0.42 H new ATOM 0 HG12 ILE A 61 4.724 -7.068 5.235 1.00 0.44 H new ATOM 0 HG13 ILE A 61 4.836 -8.074 3.804 1.00 0.44 H new ATOM 0 HG21 ILE A 61 1.955 -5.847 4.735 1.00 0.38 H new ATOM 0 HG22 ILE A 61 0.953 -7.159 5.401 1.00 0.38 H new ATOM 0 HG23 ILE A 61 2.401 -6.612 6.279 1.00 0.38 H new ATOM 0 HD11 ILE A 61 5.201 -5.704 3.240 1.00 0.41 H new ATOM 0 HD12 ILE A 61 3.720 -6.314 2.463 1.00 0.41 H new ATOM 0 HD13 ILE A 61 3.606 -5.292 3.916 1.00 0.41 H new ATOM 951 N GLU A 62 4.868 -10.502 5.022 1.00 0.58 N ATOM 952 CA GLU A 62 5.709 -11.478 4.349 1.00 0.64 C ATOM 953 C GLU A 62 4.899 -12.749 4.080 1.00 0.73 C ATOM 954 O GLU A 62 4.161 -13.233 4.937 1.00 1.64 O ATOM 955 CB GLU A 62 6.987 -11.775 5.150 1.00 0.65 C ATOM 956 CG GLU A 62 8.009 -12.422 4.205 1.00 0.88 C ATOM 957 CD GLU A 62 9.352 -12.698 4.877 1.00 1.32 C ATOM 958 OE1 GLU A 62 10.331 -12.014 4.498 1.00 2.39 O ATOM 959 OE2 GLU A 62 9.404 -13.589 5.746 1.00 2.24 O ATOM 0 H GLU A 62 5.259 -10.131 5.888 1.00 0.58 H new ATOM 0 HA GLU A 62 6.035 -11.063 3.395 1.00 0.64 H new ATOM 0 HB2 GLU A 62 7.391 -10.856 5.575 1.00 0.65 H new ATOM 0 HB3 GLU A 62 6.766 -12.441 5.984 1.00 0.65 H new ATOM 0 HG2 GLU A 62 7.601 -13.358 3.823 1.00 0.88 H new ATOM 0 HG3 GLU A 62 8.166 -11.769 3.346 1.00 0.88 H new ATOM 966 N ALA A 63 4.995 -13.279 2.861 1.00 1.20 N ATOM 967 CA ALA A 63 4.288 -14.501 2.531 1.00 1.35 C ATOM 968 C ALA A 63 4.843 -15.616 3.415 1.00 2.14 C ATOM 969 O ALA A 63 6.059 -15.767 3.483 1.00 3.12 O ATOM 970 CB ALA A 63 4.479 -14.817 1.046 1.00 2.39 C ATOM 0 H ALA A 63 5.548 -12.884 2.101 1.00 1.20 H new ATOM 0 HA ALA A 63 3.218 -14.398 2.711 1.00 1.35 H new ATOM 0 HB1 ALA A 63 3.947 -15.736 0.798 1.00 2.39 H new ATOM 0 HB2 ALA A 63 4.085 -13.997 0.446 1.00 2.39 H new ATOM 0 HB3 ALA A 63 5.541 -14.944 0.835 1.00 2.39 H new ATOM 976 N GLN A 64 3.959 -16.368 4.083 1.00 2.88 N ATOM 977 CA GLN A 64 4.309 -17.338 5.117 1.00 4.37 C ATOM 978 C GLN A 64 5.551 -18.149 4.739 1.00 4.71 C ATOM 979 O GLN A 64 5.499 -19.014 3.866 1.00 5.17 O ATOM 980 CB GLN A 64 3.108 -18.256 5.412 1.00 5.68 C ATOM 981 CG GLN A 64 2.468 -17.922 6.765 1.00 7.37 C ATOM 982 CD GLN A 64 1.327 -18.884 7.085 1.00 8.75 C ATOM 983 OE1 GLN A 64 0.404 -19.055 6.298 1.00 8.82 O ATOM 984 NE2 GLN A 64 1.362 -19.538 8.240 1.00 10.22 N ATOM 0 H GLN A 64 2.955 -16.314 3.911 1.00 2.88 H new ATOM 0 HA GLN A 64 4.557 -16.789 6.025 1.00 4.37 H new ATOM 0 HB2 GLN A 64 2.365 -18.152 4.621 1.00 5.68 H new ATOM 0 HB3 GLN A 64 3.434 -19.296 5.409 1.00 5.68 H new ATOM 0 HG2 GLN A 64 3.222 -17.973 7.550 1.00 7.37 H new ATOM 0 HG3 GLN A 64 2.092 -16.899 6.750 1.00 7.37 H new ATOM 0 HE21 GLN A 64 2.135 -19.388 8.888 1.00 10.22 H new ATOM 0 HE22 GLN A 64 0.615 -20.191 8.479 1.00 10.22 H new ATOM 993 N LEU A 65 6.661 -17.873 5.425 1.00 5.11 N ATOM 994 CA LEU A 65 7.971 -18.412 5.117 1.00 5.72 C ATOM 995 C LEU A 65 8.492 -19.075 6.386 1.00 6.97 C ATOM 996 O LEU A 65 8.762 -18.377 7.357 1.00 7.63 O ATOM 997 CB LEU A 65 8.877 -17.249 4.679 1.00 5.89 C ATOM 998 CG LEU A 65 10.350 -17.646 4.506 1.00 6.75 C ATOM 999 CD1 LEU A 65 10.530 -18.647 3.361 1.00 7.08 C ATOM 1000 CD2 LEU A 65 11.182 -16.397 4.210 1.00 7.44 C ATOM 0 H LEU A 65 6.665 -17.249 6.232 1.00 5.11 H new ATOM 0 HA LEU A 65 7.942 -19.146 4.312 1.00 5.72 H new ATOM 0 HB2 LEU A 65 8.506 -16.845 3.737 1.00 5.89 H new ATOM 0 HB3 LEU A 65 8.810 -16.450 5.417 1.00 5.89 H new ATOM 0 HG LEU A 65 10.683 -18.117 5.431 1.00 6.75 H new ATOM 0 HD11 LEU A 65 11.585 -18.906 3.267 1.00 7.08 H new ATOM 0 HD12 LEU A 65 9.952 -19.547 3.571 1.00 7.08 H new ATOM 0 HD13 LEU A 65 10.181 -18.201 2.430 1.00 7.08 H new ATOM 0 HD21 LEU A 65 12.228 -16.677 4.087 1.00 7.44 H new ATOM 0 HD22 LEU A 65 10.822 -15.928 3.294 1.00 7.44 H new ATOM 0 HD23 LEU A 65 11.090 -15.694 5.038 1.00 7.44 H new ATOM 1012 N PRO A 66 8.627 -20.406 6.428 1.00 7.77 N ATOM 1013 CA PRO A 66 9.131 -21.097 7.603 1.00 9.28 C ATOM 1014 C PRO A 66 10.663 -21.009 7.664 1.00 9.76 C ATOM 1015 O PRO A 66 11.349 -22.025 7.564 1.00 10.41 O ATOM 1016 CB PRO A 66 8.606 -22.529 7.457 1.00 10.23 C ATOM 1017 CG PRO A 66 8.566 -22.729 5.942 1.00 9.43 C ATOM 1018 CD PRO A 66 8.158 -21.349 5.427 1.00 7.79 C ATOM 0 HA PRO A 66 8.796 -20.660 8.543 1.00 9.28 H new ATOM 0 HB2 PRO A 66 9.263 -23.251 7.942 1.00 10.23 H new ATOM 0 HB3 PRO A 66 7.619 -22.645 7.905 1.00 10.23 H new ATOM 0 HG2 PRO A 66 9.535 -23.037 5.549 1.00 9.43 H new ATOM 0 HG3 PRO A 66 7.847 -23.496 5.654 1.00 9.43 H new ATOM 0 HD2 PRO A 66 8.607 -21.145 4.455 1.00 7.79 H new ATOM 0 HD3 PRO A 66 7.078 -21.281 5.300 1.00 7.79 H new ATOM 1026 N SER A 67 11.189 -19.799 7.877 1.00 9.77 N ATOM 1027 CA SER A 67 12.608 -19.533 8.068 1.00 10.45 C ATOM 1028 C SER A 67 12.765 -18.394 9.070 1.00 10.87 C ATOM 1029 O SER A 67 13.365 -18.570 10.128 1.00 11.68 O ATOM 1030 CB SER A 67 13.286 -19.148 6.748 1.00 10.41 C ATOM 1031 OG SER A 67 13.155 -20.157 5.770 1.00 10.67 O ATOM 0 H SER A 67 10.617 -18.956 7.922 1.00 9.77 H new ATOM 0 HA SER A 67 13.085 -20.439 8.441 1.00 10.45 H new ATOM 0 HB2 SER A 67 12.850 -18.222 6.374 1.00 10.41 H new ATOM 0 HB3 SER A 67 14.343 -18.953 6.927 1.00 10.41 H new ATOM 0 HG SER A 67 13.599 -19.872 4.944 1.00 10.67 H new ATOM 1037 N GLU A 68 12.227 -17.220 8.737 1.00 10.65 N ATOM 1038 CA GLU A 68 12.374 -15.997 9.509 1.00 11.17 C ATOM 1039 C GLU A 68 11.183 -15.090 9.193 1.00 11.40 C ATOM 1040 O GLU A 68 10.196 -15.566 8.637 1.00 11.61 O ATOM 1041 CB GLU A 68 13.717 -15.339 9.147 1.00 11.08 C ATOM 1042 CG GLU A 68 13.805 -14.933 7.665 1.00 10.42 C ATOM 1043 CD GLU A 68 15.005 -15.579 6.971 1.00 10.67 C ATOM 1044 OE1 GLU A 68 14.804 -16.648 6.350 1.00 11.01 O ATOM 1045 OE2 GLU A 68 16.109 -14.999 7.074 1.00 10.92 O ATOM 0 H GLU A 68 11.661 -17.096 7.897 1.00 10.65 H new ATOM 0 HA GLU A 68 12.381 -16.194 10.581 1.00 11.17 H new ATOM 0 HB2 GLU A 68 13.863 -14.456 9.770 1.00 11.08 H new ATOM 0 HB3 GLU A 68 14.528 -16.030 9.378 1.00 11.08 H new ATOM 0 HG2 GLU A 68 12.888 -15.225 7.153 1.00 10.42 H new ATOM 0 HG3 GLU A 68 13.881 -13.848 7.589 1.00 10.42 H new ATOM 1052 N SER A 69 11.273 -13.802 9.533 1.00 11.66 N ATOM 1053 CA SER A 69 10.306 -12.792 9.139 1.00 12.03 C ATOM 1054 C SER A 69 11.038 -11.455 9.156 1.00 11.86 C ATOM 1055 O SER A 69 11.434 -11.078 10.283 1.00 12.48 O ATOM 1056 CB SER A 69 9.121 -12.819 10.112 1.00 13.43 C ATOM 1057 OG SER A 69 9.584 -12.760 11.451 1.00 14.45 O ATOM 1058 OXT SER A 69 11.257 -10.867 8.077 1.00 11.41 O ATOM 0 H SER A 69 12.036 -13.432 10.100 1.00 11.66 H new ATOM 0 HA SER A 69 9.901 -12.970 8.143 1.00 12.03 H new ATOM 0 HB2 SER A 69 8.458 -11.978 9.912 1.00 13.43 H new ATOM 0 HB3 SER A 69 8.538 -13.728 9.961 1.00 13.43 H new ATOM 0 HG SER A 69 10.366 -12.172 11.501 1.00 14.45 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 1.927 5.361 -3.547 1.00 0.67 ZN HETATM 1066 ZN ZN A 102 -3.111 -2.456 6.811 1.00 0.95 ZN