USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0336 (180deg=-0.349) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.045) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 13 THR OG1 : rot 73:sc= 0.723 USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 0.673 (180deg=-0.426) USER MOD Single : A 18 THR OG1 : rot -72:sc= 0.858 USER MOD Single : A 22 SER OG : rot -73:sc= 0.526 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.2!) USER MOD Single : A 46 GLN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 50 THR OG1 : rot -43:sc= 0.17 USER MOD Single : A 51 ASN : amide:sc= 0.672 K(o=0.67,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.7) USER MOD Single : A 67 SER OG : rot 180:sc= -0.119 USER MOD Single : A 69 SER OG : rot -43:sc= 0.545 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.001 -31.351 9.172 1.00 28.40 N ATOM 2 CA MET A 1 -1.146 -32.793 9.460 1.00 28.66 C ATOM 3 C MET A 1 0.147 -33.304 10.090 1.00 27.59 C ATOM 4 O MET A 1 0.278 -33.205 11.303 1.00 28.27 O ATOM 5 CB MET A 1 -1.560 -33.589 8.215 1.00 28.78 C ATOM 6 CG MET A 1 -2.993 -33.266 7.778 1.00 30.34 C ATOM 7 SD MET A 1 -3.278 -33.589 6.020 1.00 30.60 S ATOM 8 CE MET A 1 -4.744 -34.650 6.102 1.00 32.28 C ATOM 0 H1 MET A 1 -1.939 -30.902 9.169 1.00 28.40 H new ATOM 0 H2 MET A 1 -0.407 -30.909 9.903 1.00 28.40 H new ATOM 0 H3 MET A 1 -0.555 -31.226 8.241 1.00 28.40 H new ATOM 0 HA MET A 1 -1.957 -32.940 10.173 1.00 28.66 H new ATOM 0 HB2 MET A 1 -0.873 -33.368 7.398 1.00 28.78 H new ATOM 0 HB3 MET A 1 -1.476 -34.656 8.422 1.00 28.78 H new ATOM 0 HG2 MET A 1 -3.691 -33.858 8.370 1.00 30.34 H new ATOM 0 HG3 MET A 1 -3.205 -32.218 7.990 1.00 30.34 H new ATOM 0 HE1 MET A 1 -5.044 -34.935 5.093 1.00 32.28 H new ATOM 0 HE2 MET A 1 -4.513 -35.546 6.678 1.00 32.28 H new ATOM 0 HE3 MET A 1 -5.558 -34.109 6.584 1.00 32.28 H new ATOM 20 N LYS A 2 1.127 -33.770 9.306 1.00 26.10 N ATOM 21 CA LYS A 2 2.456 -34.094 9.820 1.00 25.13 C ATOM 22 C LYS A 2 3.516 -33.489 8.905 1.00 23.56 C ATOM 23 O LYS A 2 4.281 -34.202 8.268 1.00 22.81 O ATOM 24 CB LYS A 2 2.656 -35.611 9.959 1.00 25.29 C ATOM 25 CG LYS A 2 1.980 -36.195 11.204 1.00 26.62 C ATOM 26 CD LYS A 2 2.654 -37.533 11.544 1.00 26.86 C ATOM 27 CE LYS A 2 2.050 -38.212 12.778 1.00 28.29 C ATOM 28 NZ LYS A 2 2.178 -37.384 13.996 1.00 28.91 N ATOM 0 H LYS A 2 1.019 -33.931 8.305 1.00 26.10 H new ATOM 0 HA LYS A 2 2.554 -33.666 10.818 1.00 25.13 H new ATOM 0 HB2 LYS A 2 2.261 -36.106 9.072 1.00 25.29 H new ATOM 0 HB3 LYS A 2 3.723 -35.829 9.997 1.00 25.29 H new ATOM 0 HG2 LYS A 2 2.068 -35.503 12.042 1.00 26.62 H new ATOM 0 HG3 LYS A 2 0.915 -36.343 11.023 1.00 26.62 H new ATOM 0 HD2 LYS A 2 2.569 -38.204 10.689 1.00 26.86 H new ATOM 0 HD3 LYS A 2 3.718 -37.365 11.713 1.00 26.86 H new ATOM 0 HE2 LYS A 2 0.996 -38.423 12.594 1.00 28.29 H new ATOM 0 HE3 LYS A 2 2.543 -39.170 12.940 1.00 28.29 H new ATOM 0 HZ1 LYS A 2 1.864 -37.932 14.823 1.00 28.91 H new ATOM 0 HZ2 LYS A 2 3.172 -37.104 14.123 1.00 28.91 H new ATOM 0 HZ3 LYS A 2 1.588 -36.533 13.901 1.00 28.91 H new ATOM 42 N GLN A 3 3.563 -32.163 8.854 1.00 23.20 N ATOM 43 CA GLN A 3 4.642 -31.424 8.223 1.00 21.75 C ATOM 44 C GLN A 3 4.635 -30.040 8.858 1.00 21.70 C ATOM 45 O GLN A 3 3.580 -29.592 9.310 1.00 23.03 O ATOM 46 CB GLN A 3 4.422 -31.325 6.703 1.00 21.66 C ATOM 47 CG GLN A 3 5.725 -31.559 5.928 1.00 20.41 C ATOM 48 CD GLN A 3 6.041 -33.048 5.796 1.00 20.70 C ATOM 49 OE1 GLN A 3 5.343 -33.777 5.102 1.00 21.37 O ATOM 50 NE2 GLN A 3 7.099 -33.532 6.436 1.00 20.45 N ATOM 0 H GLN A 3 2.841 -31.566 9.256 1.00 23.20 H new ATOM 0 HA GLN A 3 5.600 -31.923 8.369 1.00 21.75 H new ATOM 0 HB2 GLN A 3 3.677 -32.058 6.394 1.00 21.66 H new ATOM 0 HB3 GLN A 3 4.022 -30.341 6.456 1.00 21.66 H new ATOM 0 HG2 GLN A 3 5.644 -31.114 4.936 1.00 20.41 H new ATOM 0 HG3 GLN A 3 6.547 -31.056 6.437 1.00 20.41 H new ATOM 0 HE21 GLN A 3 7.673 -32.916 7.011 1.00 20.45 H new ATOM 0 HE22 GLN A 3 7.338 -34.520 6.352 1.00 20.45 H new ATOM 59 N ASP A 4 5.782 -29.368 8.878 1.00 20.34 N ATOM 60 CA ASP A 4 5.863 -27.971 9.260 1.00 20.33 C ATOM 61 C ASP A 4 6.982 -27.357 8.429 1.00 18.67 C ATOM 62 O ASP A 4 8.156 -27.629 8.673 1.00 18.19 O ATOM 63 CB ASP A 4 6.127 -27.825 10.762 1.00 20.98 C ATOM 64 CG ASP A 4 6.083 -26.357 11.182 1.00 21.63 C ATOM 65 OD1 ASP A 4 5.660 -25.533 10.340 1.00 21.45 O ATOM 66 OD2 ASP A 4 6.437 -26.088 12.350 1.00 22.56 O ATOM 0 H ASP A 4 6.680 -29.782 8.629 1.00 20.34 H new ATOM 0 HA ASP A 4 4.921 -27.457 9.070 1.00 20.33 H new ATOM 0 HB2 ASP A 4 5.383 -28.391 11.323 1.00 20.98 H new ATOM 0 HB3 ASP A 4 7.101 -28.249 11.007 1.00 20.98 H new ATOM 71 N GLY A 5 6.610 -26.634 7.376 1.00 17.92 N ATOM 72 CA GLY A 5 7.542 -26.059 6.424 1.00 16.35 C ATOM 73 C GLY A 5 6.904 -26.062 5.044 1.00 15.39 C ATOM 74 O GLY A 5 6.444 -27.105 4.582 1.00 15.63 O ATOM 0 H GLY A 5 5.634 -26.431 7.161 1.00 17.92 H new ATOM 0 HA2 GLY A 5 7.800 -25.041 6.717 1.00 16.35 H new ATOM 0 HA3 GLY A 5 8.469 -26.632 6.412 1.00 16.35 H new ATOM 78 N GLU A 6 6.855 -24.901 4.396 1.00 14.44 N ATOM 79 CA GLU A 6 6.430 -24.760 3.017 1.00 13.44 C ATOM 80 C GLU A 6 7.080 -23.477 2.509 1.00 12.38 C ATOM 81 O GLU A 6 7.031 -22.458 3.199 1.00 12.92 O ATOM 82 CB GLU A 6 4.895 -24.683 2.951 1.00 14.00 C ATOM 83 CG GLU A 6 4.387 -24.642 1.506 1.00 13.69 C ATOM 84 CD GLU A 6 2.859 -24.744 1.454 1.00 14.49 C ATOM 85 OE1 GLU A 6 2.366 -25.861 1.175 1.00 14.92 O ATOM 86 OE2 GLU A 6 2.202 -23.708 1.696 1.00 14.91 O ATOM 0 H GLU A 6 7.117 -24.016 4.830 1.00 14.44 H new ATOM 0 HA GLU A 6 6.728 -25.609 2.402 1.00 13.44 H new ATOM 0 HB2 GLU A 6 4.466 -25.545 3.462 1.00 14.00 H new ATOM 0 HB3 GLU A 6 4.553 -23.794 3.482 1.00 14.00 H new ATOM 0 HG2 GLU A 6 4.709 -23.715 1.031 1.00 13.69 H new ATOM 0 HG3 GLU A 6 4.829 -25.461 0.939 1.00 13.69 H new ATOM 93 N GLU A 7 7.706 -23.510 1.336 1.00 11.01 N ATOM 94 CA GLU A 7 8.295 -22.336 0.724 1.00 10.00 C ATOM 95 C GLU A 7 8.177 -22.463 -0.794 1.00 8.74 C ATOM 96 O GLU A 7 7.760 -23.500 -1.309 1.00 8.78 O ATOM 97 CB GLU A 7 9.753 -22.146 1.180 1.00 10.16 C ATOM 98 CG GLU A 7 10.671 -23.346 0.894 1.00 10.53 C ATOM 99 CD GLU A 7 10.840 -24.253 2.116 1.00 12.42 C ATOM 100 OE1 GLU A 7 9.968 -25.129 2.318 1.00 13.66 O ATOM 101 OE2 GLU A 7 11.858 -24.070 2.823 1.00 12.84 O ATOM 0 H GLU A 7 7.816 -24.361 0.784 1.00 11.01 H new ATOM 0 HA GLU A 7 7.757 -21.443 1.043 1.00 10.00 H new ATOM 0 HB2 GLU A 7 10.163 -21.265 0.686 1.00 10.16 H new ATOM 0 HB3 GLU A 7 9.762 -21.945 2.251 1.00 10.16 H new ATOM 0 HG2 GLU A 7 10.260 -23.926 0.068 1.00 10.53 H new ATOM 0 HG3 GLU A 7 11.649 -22.985 0.575 1.00 10.53 H new ATOM 108 N GLY A 8 8.539 -21.404 -1.516 1.00 7.82 N ATOM 109 CA GLY A 8 8.451 -21.351 -2.963 1.00 6.84 C ATOM 110 C GLY A 8 9.570 -20.467 -3.492 1.00 5.87 C ATOM 111 O GLY A 8 10.669 -20.461 -2.943 1.00 6.12 O ATOM 0 H GLY A 8 8.907 -20.548 -1.100 1.00 7.82 H new ATOM 0 HA2 GLY A 8 8.532 -22.354 -3.383 1.00 6.84 H new ATOM 0 HA3 GLY A 8 7.482 -20.956 -3.268 1.00 6.84 H new ATOM 115 N THR A 9 9.309 -19.721 -4.562 1.00 5.22 N ATOM 116 CA THR A 9 10.288 -18.819 -5.138 1.00 4.65 C ATOM 117 C THR A 9 9.543 -17.761 -5.953 1.00 4.13 C ATOM 118 O THR A 9 8.320 -17.842 -6.061 1.00 4.83 O ATOM 119 CB THR A 9 11.294 -19.633 -5.965 1.00 5.05 C ATOM 120 OG1 THR A 9 12.376 -18.822 -6.372 1.00 5.42 O ATOM 121 CG2 THR A 9 10.639 -20.280 -7.186 1.00 5.36 C ATOM 0 H THR A 9 8.413 -19.728 -5.050 1.00 5.22 H new ATOM 0 HA THR A 9 10.863 -18.297 -4.373 1.00 4.65 H new ATOM 0 HB THR A 9 11.666 -20.431 -5.323 1.00 5.05 H new ATOM 0 HG1 THR A 9 13.007 -19.358 -6.896 1.00 5.42 H new ATOM 0 HG21 THR A 9 11.386 -20.846 -7.743 1.00 5.36 H new ATOM 0 HG22 THR A 9 9.844 -20.951 -6.860 1.00 5.36 H new ATOM 0 HG23 THR A 9 10.219 -19.505 -7.827 1.00 5.36 H new ATOM 129 N GLU A 10 10.293 -16.815 -6.527 1.00 3.71 N ATOM 130 CA GLU A 10 9.821 -15.661 -7.284 1.00 3.46 C ATOM 131 C GLU A 10 9.317 -14.585 -6.319 1.00 2.75 C ATOM 132 O GLU A 10 8.425 -14.839 -5.514 1.00 3.33 O ATOM 133 CB GLU A 10 8.751 -16.061 -8.317 1.00 4.25 C ATOM 134 CG GLU A 10 8.704 -15.087 -9.500 1.00 4.73 C ATOM 135 CD GLU A 10 9.838 -15.356 -10.494 1.00 5.63 C ATOM 136 OE1 GLU A 10 11.007 -15.140 -10.101 1.00 6.19 O ATOM 137 OE2 GLU A 10 9.528 -15.782 -11.629 1.00 6.32 O ATOM 0 H GLU A 10 11.311 -16.841 -6.469 1.00 3.71 H new ATOM 0 HA GLU A 10 10.654 -15.247 -7.853 1.00 3.46 H new ATOM 0 HB2 GLU A 10 8.958 -17.067 -8.683 1.00 4.25 H new ATOM 0 HB3 GLU A 10 7.774 -16.093 -7.834 1.00 4.25 H new ATOM 0 HG2 GLU A 10 7.744 -15.177 -10.009 1.00 4.73 H new ATOM 0 HG3 GLU A 10 8.776 -14.063 -9.133 1.00 4.73 H new ATOM 144 N GLU A 11 9.897 -13.382 -6.355 1.00 2.18 N ATOM 145 CA GLU A 11 9.380 -12.281 -5.559 1.00 1.57 C ATOM 146 C GLU A 11 9.834 -10.947 -6.154 1.00 1.63 C ATOM 147 O GLU A 11 11.029 -10.695 -6.263 1.00 2.32 O ATOM 148 CB GLU A 11 9.819 -12.418 -4.087 1.00 1.81 C ATOM 149 CG GLU A 11 11.333 -12.379 -3.811 1.00 2.77 C ATOM 150 CD GLU A 11 11.598 -12.368 -2.309 1.00 3.22 C ATOM 151 OE1 GLU A 11 12.261 -13.307 -1.817 1.00 4.13 O ATOM 152 OE2 GLU A 11 11.139 -11.381 -1.679 1.00 3.52 O ATOM 0 H GLU A 11 10.714 -13.154 -6.921 1.00 2.18 H new ATOM 0 HA GLU A 11 8.291 -12.311 -5.580 1.00 1.57 H new ATOM 0 HB2 GLU A 11 9.348 -11.618 -3.516 1.00 1.81 H new ATOM 0 HB3 GLU A 11 9.427 -13.359 -3.701 1.00 1.81 H new ATOM 0 HG2 GLU A 11 11.815 -13.245 -4.266 1.00 2.77 H new ATOM 0 HG3 GLU A 11 11.770 -11.493 -4.271 1.00 2.77 H new ATOM 159 N ASP A 12 8.904 -10.061 -6.513 1.00 1.34 N ATOM 160 CA ASP A 12 9.228 -8.667 -6.799 1.00 1.43 C ATOM 161 C ASP A 12 7.922 -7.879 -6.799 1.00 1.37 C ATOM 162 O ASP A 12 7.013 -8.227 -7.544 1.00 1.77 O ATOM 163 CB ASP A 12 9.944 -8.494 -8.147 1.00 1.84 C ATOM 164 CG ASP A 12 10.539 -7.088 -8.247 1.00 2.20 C ATOM 165 OD1 ASP A 12 10.098 -6.218 -7.459 1.00 2.49 O ATOM 166 OD2 ASP A 12 11.442 -6.899 -9.088 1.00 3.12 O ATOM 0 H ASP A 12 7.915 -10.288 -6.612 1.00 1.34 H new ATOM 0 HA ASP A 12 9.914 -8.302 -6.035 1.00 1.43 H new ATOM 0 HB2 ASP A 12 10.733 -9.240 -8.247 1.00 1.84 H new ATOM 0 HB3 ASP A 12 9.243 -8.660 -8.965 1.00 1.84 H new ATOM 171 N THR A 13 7.813 -6.863 -5.935 1.00 1.18 N ATOM 172 CA THR A 13 6.647 -5.989 -5.780 1.00 1.15 C ATOM 173 C THR A 13 5.317 -6.748 -5.912 1.00 1.04 C ATOM 174 O THR A 13 4.364 -6.256 -6.511 1.00 1.22 O ATOM 175 CB THR A 13 6.788 -4.822 -6.773 1.00 1.49 C ATOM 176 OG1 THR A 13 8.108 -4.320 -6.702 1.00 2.09 O ATOM 177 CG2 THR A 13 5.876 -3.634 -6.444 1.00 1.81 C ATOM 0 H THR A 13 8.570 -6.618 -5.297 1.00 1.18 H new ATOM 0 HA THR A 13 6.620 -5.587 -4.767 1.00 1.15 H new ATOM 0 HB THR A 13 6.522 -5.221 -7.752 1.00 1.49 H new ATOM 0 HG1 THR A 13 8.723 -4.958 -7.120 1.00 2.09 H new ATOM 0 HG21 THR A 13 6.025 -2.846 -7.182 1.00 1.81 H new ATOM 0 HG22 THR A 13 4.835 -3.958 -6.463 1.00 1.81 H new ATOM 0 HG23 THR A 13 6.119 -3.253 -5.452 1.00 1.81 H new ATOM 185 N GLU A 14 5.249 -7.959 -5.353 1.00 0.88 N ATOM 186 CA GLU A 14 4.170 -8.872 -5.686 1.00 0.88 C ATOM 187 C GLU A 14 3.030 -8.687 -4.695 1.00 0.81 C ATOM 188 O GLU A 14 1.975 -8.188 -5.063 1.00 1.03 O ATOM 189 CB GLU A 14 4.715 -10.303 -5.760 1.00 0.92 C ATOM 190 CG GLU A 14 3.740 -11.222 -6.515 1.00 1.24 C ATOM 191 CD GLU A 14 4.418 -12.466 -7.101 1.00 2.27 C ATOM 192 OE1 GLU A 14 5.621 -12.370 -7.434 1.00 3.03 O ATOM 193 OE2 GLU A 14 3.709 -13.487 -7.239 1.00 3.45 O ATOM 0 H GLU A 14 5.922 -8.320 -4.677 1.00 0.88 H new ATOM 0 HA GLU A 14 3.756 -8.655 -6.671 1.00 0.88 H new ATOM 0 HB2 GLU A 14 5.683 -10.303 -6.261 1.00 0.92 H new ATOM 0 HB3 GLU A 14 4.878 -10.687 -4.753 1.00 0.92 H new ATOM 0 HG2 GLU A 14 2.945 -11.534 -5.837 1.00 1.24 H new ATOM 0 HG3 GLU A 14 3.269 -10.659 -7.321 1.00 1.24 H new ATOM 200 N GLU A 15 3.241 -9.037 -3.423 1.00 0.67 N ATOM 201 CA GLU A 15 2.205 -8.868 -2.415 1.00 0.69 C ATOM 202 C GLU A 15 2.875 -8.578 -1.066 1.00 0.65 C ATOM 203 O GLU A 15 2.801 -9.350 -0.108 1.00 0.71 O ATOM 204 CB GLU A 15 1.297 -10.110 -2.428 1.00 0.84 C ATOM 205 CG GLU A 15 -0.153 -9.762 -2.064 1.00 2.05 C ATOM 206 CD GLU A 15 -1.120 -10.218 -3.163 1.00 2.88 C ATOM 207 OE1 GLU A 15 -1.328 -11.448 -3.268 1.00 2.86 O ATOM 208 OE2 GLU A 15 -1.659 -9.331 -3.862 1.00 4.37 O ATOM 0 H GLU A 15 4.113 -9.435 -3.075 1.00 0.67 H new ATOM 0 HA GLU A 15 1.557 -8.016 -2.622 1.00 0.69 H new ATOM 0 HB2 GLU A 15 1.323 -10.569 -3.416 1.00 0.84 H new ATOM 0 HB3 GLU A 15 1.681 -10.848 -1.724 1.00 0.84 H new ATOM 0 HG2 GLU A 15 -0.419 -10.238 -1.120 1.00 2.05 H new ATOM 0 HG3 GLU A 15 -0.246 -8.686 -1.916 1.00 2.05 H new ATOM 215 N LYS A 16 3.598 -7.453 -1.017 1.00 0.60 N ATOM 216 CA LYS A 16 4.470 -7.101 0.101 1.00 0.57 C ATOM 217 C LYS A 16 4.091 -5.701 0.589 1.00 0.53 C ATOM 218 O LYS A 16 4.167 -4.743 -0.176 1.00 0.58 O ATOM 219 CB LYS A 16 5.953 -7.221 -0.321 1.00 0.63 C ATOM 220 CG LYS A 16 6.243 -8.612 -0.920 1.00 0.73 C ATOM 221 CD LYS A 16 7.714 -9.068 -0.940 1.00 0.95 C ATOM 222 CE LYS A 16 8.558 -8.437 -2.048 1.00 1.02 C ATOM 223 NZ LYS A 16 9.893 -9.087 -2.141 1.00 1.33 N ATOM 0 H LYS A 16 3.591 -6.757 -1.762 1.00 0.60 H new ATOM 0 HA LYS A 16 4.338 -7.792 0.934 1.00 0.57 H new ATOM 0 HB2 LYS A 16 6.191 -6.449 -1.052 1.00 0.63 H new ATOM 0 HB3 LYS A 16 6.596 -7.051 0.543 1.00 0.63 H new ATOM 0 HG2 LYS A 16 5.667 -9.349 -0.361 1.00 0.73 H new ATOM 0 HG3 LYS A 16 5.870 -8.625 -1.944 1.00 0.73 H new ATOM 0 HD2 LYS A 16 8.167 -8.833 0.023 1.00 0.95 H new ATOM 0 HD3 LYS A 16 7.744 -10.152 -1.050 1.00 0.95 H new ATOM 0 HE2 LYS A 16 8.038 -8.528 -3.002 1.00 1.02 H new ATOM 0 HE3 LYS A 16 8.682 -7.372 -1.853 1.00 1.02 H new ATOM 0 HZ1 LYS A 16 10.218 -9.073 -3.129 1.00 1.33 H new ATOM 0 HZ2 LYS A 16 10.572 -8.571 -1.546 1.00 1.33 H new ATOM 0 HZ3 LYS A 16 9.823 -10.071 -1.813 1.00 1.33 H new ATOM 237 N CYS A 17 3.654 -5.587 1.846 1.00 0.51 N ATOM 238 CA CYS A 17 3.321 -4.328 2.498 1.00 0.52 C ATOM 239 C CYS A 17 4.636 -3.573 2.696 1.00 0.59 C ATOM 240 O CYS A 17 5.498 -4.022 3.452 1.00 0.70 O ATOM 241 CB CYS A 17 2.678 -4.673 3.855 1.00 0.53 C ATOM 242 SG CYS A 17 2.018 -3.220 4.746 1.00 0.63 S ATOM 0 H CYS A 17 3.520 -6.396 2.452 1.00 0.51 H new ATOM 0 HA CYS A 17 2.630 -3.716 1.919 1.00 0.52 H new ATOM 0 HB2 CYS A 17 1.870 -5.387 3.693 1.00 0.53 H new ATOM 0 HB3 CYS A 17 3.419 -5.167 4.483 1.00 0.53 H new ATOM 247 N THR A 18 4.814 -2.417 2.049 1.00 0.59 N ATOM 248 CA THR A 18 6.050 -1.662 2.214 1.00 0.67 C ATOM 249 C THR A 18 5.806 -0.490 3.162 1.00 0.73 C ATOM 250 O THR A 18 6.631 0.414 3.245 1.00 0.87 O ATOM 251 CB THR A 18 6.599 -1.209 0.855 1.00 0.82 C ATOM 252 OG1 THR A 18 5.718 -0.280 0.275 1.00 0.97 O ATOM 253 CG2 THR A 18 6.795 -2.375 -0.124 1.00 0.95 C ATOM 0 H THR A 18 4.131 -1.994 1.420 1.00 0.59 H new ATOM 0 HA THR A 18 6.813 -2.302 2.658 1.00 0.67 H new ATOM 0 HB THR A 18 7.575 -0.761 1.042 1.00 0.82 H new ATOM 0 HG1 THR A 18 4.905 -0.741 -0.021 1.00 0.97 H new ATOM 0 HG21 THR A 18 7.185 -1.995 -1.068 1.00 0.95 H new ATOM 0 HG22 THR A 18 7.500 -3.090 0.299 1.00 0.95 H new ATOM 0 HG23 THR A 18 5.839 -2.868 -0.298 1.00 0.95 H new ATOM 261 N ILE A 19 4.668 -0.486 3.864 1.00 0.78 N ATOM 262 CA ILE A 19 4.375 0.494 4.890 1.00 0.90 C ATOM 263 C ILE A 19 4.772 -0.130 6.224 1.00 0.92 C ATOM 264 O ILE A 19 5.619 0.400 6.933 1.00 0.97 O ATOM 265 CB ILE A 19 2.898 0.882 4.852 1.00 0.97 C ATOM 266 CG1 ILE A 19 2.508 1.205 3.394 1.00 0.93 C ATOM 267 CG2 ILE A 19 2.664 2.030 5.835 1.00 1.20 C ATOM 268 CD1 ILE A 19 1.325 2.138 3.271 1.00 1.11 C ATOM 0 H ILE A 19 3.925 -1.172 3.728 1.00 0.78 H new ATOM 0 HA ILE A 19 4.934 1.416 4.733 1.00 0.90 H new ATOM 0 HB ILE A 19 2.250 0.066 5.172 1.00 0.97 H new ATOM 0 HG12 ILE A 19 3.365 1.651 2.889 1.00 0.93 H new ATOM 0 HG13 ILE A 19 2.281 0.274 2.874 1.00 0.93 H new ATOM 0 HG21 ILE A 19 1.612 2.316 5.817 1.00 1.20 H new ATOM 0 HG22 ILE A 19 2.935 1.709 6.841 1.00 1.20 H new ATOM 0 HG23 ILE A 19 3.277 2.885 5.549 1.00 1.20 H new ATOM 0 HD11 ILE A 19 1.111 2.318 2.217 1.00 1.11 H new ATOM 0 HD12 ILE A 19 0.454 1.686 3.746 1.00 1.11 H new ATOM 0 HD13 ILE A 19 1.555 3.084 3.761 1.00 1.11 H new ATOM 280 N CYS A 20 4.180 -1.288 6.533 1.00 0.91 N ATOM 281 CA CYS A 20 4.478 -2.062 7.725 1.00 0.96 C ATOM 282 C CYS A 20 5.633 -3.044 7.467 1.00 0.93 C ATOM 283 O CYS A 20 5.856 -3.942 8.276 1.00 1.01 O ATOM 284 CB CYS A 20 3.204 -2.824 8.125 1.00 1.04 C ATOM 285 SG CYS A 20 2.608 -3.898 6.779 1.00 1.27 S ATOM 0 H CYS A 20 3.466 -1.716 5.944 1.00 0.91 H new ATOM 0 HA CYS A 20 4.791 -1.397 8.530 1.00 0.96 H new ATOM 0 HB2 CYS A 20 3.404 -3.428 9.010 1.00 1.04 H new ATOM 0 HB3 CYS A 20 2.424 -2.112 8.394 1.00 1.04 H new ATOM 290 N LEU A 21 6.360 -2.878 6.353 1.00 0.93 N ATOM 291 CA LEU A 21 7.554 -3.632 5.976 1.00 1.00 C ATOM 292 C LEU A 21 7.428 -5.124 6.289 1.00 0.96 C ATOM 293 O LEU A 21 8.251 -5.696 7.002 1.00 1.11 O ATOM 294 CB LEU A 21 8.787 -2.985 6.633 1.00 1.23 C ATOM 295 CG LEU A 21 9.172 -1.662 5.953 1.00 1.79 C ATOM 296 CD1 LEU A 21 10.045 -0.825 6.889 1.00 2.16 C ATOM 297 CD2 LEU A 21 9.947 -1.932 4.659 1.00 2.27 C ATOM 0 H LEU A 21 6.114 -2.175 5.656 1.00 0.93 H new ATOM 0 HA LEU A 21 7.674 -3.584 4.894 1.00 1.00 H new ATOM 0 HB2 LEU A 21 8.583 -2.805 7.688 1.00 1.23 H new ATOM 0 HB3 LEU A 21 9.628 -3.676 6.585 1.00 1.23 H new ATOM 0 HG LEU A 21 8.256 -1.119 5.720 1.00 1.79 H new ATOM 0 HD11 LEU A 21 10.312 0.110 6.398 1.00 2.16 H new ATOM 0 HD12 LEU A 21 9.494 -0.609 7.805 1.00 2.16 H new ATOM 0 HD13 LEU A 21 10.952 -1.379 7.133 1.00 2.16 H new ATOM 0 HD21 LEU A 21 10.212 -0.985 4.189 1.00 2.27 H new ATOM 0 HD22 LEU A 21 10.855 -2.490 4.888 1.00 2.27 H new ATOM 0 HD23 LEU A 21 9.326 -2.513 3.978 1.00 2.27 H new ATOM 309 N SER A 22 6.413 -5.778 5.727 1.00 0.82 N ATOM 310 CA SER A 22 6.244 -7.214 5.882 1.00 0.85 C ATOM 311 C SER A 22 5.463 -7.785 4.703 1.00 0.68 C ATOM 312 O SER A 22 4.742 -7.079 4.008 1.00 0.62 O ATOM 313 CB SER A 22 5.575 -7.526 7.225 1.00 0.99 C ATOM 314 OG SER A 22 4.613 -6.554 7.578 1.00 1.22 O ATOM 0 H SER A 22 5.694 -5.330 5.158 1.00 0.82 H new ATOM 0 HA SER A 22 7.222 -7.695 5.886 1.00 0.85 H new ATOM 0 HB2 SER A 22 5.098 -8.505 7.173 1.00 0.99 H new ATOM 0 HB3 SER A 22 6.335 -7.582 8.004 1.00 0.99 H new ATOM 0 HG SER A 22 5.066 -5.728 7.847 1.00 1.22 H new ATOM 320 N ILE A 23 5.649 -9.073 4.432 1.00 0.71 N ATOM 321 CA ILE A 23 4.958 -9.763 3.365 1.00 0.67 C ATOM 322 C ILE A 23 3.646 -10.313 3.927 1.00 0.65 C ATOM 323 O ILE A 23 3.505 -10.459 5.140 1.00 0.71 O ATOM 324 CB ILE A 23 5.895 -10.837 2.793 1.00 0.77 C ATOM 325 CG1 ILE A 23 7.167 -10.183 2.223 1.00 1.10 C ATOM 326 CG2 ILE A 23 5.209 -11.581 1.644 1.00 0.82 C ATOM 327 CD1 ILE A 23 8.305 -9.887 3.203 1.00 1.00 C ATOM 0 H ILE A 23 6.292 -9.667 4.956 1.00 0.71 H new ATOM 0 HA ILE A 23 4.698 -9.105 2.536 1.00 0.67 H new ATOM 0 HB ILE A 23 6.145 -11.525 3.600 1.00 0.77 H new ATOM 0 HG12 ILE A 23 7.557 -10.832 1.439 1.00 1.10 H new ATOM 0 HG13 ILE A 23 6.880 -9.245 1.747 1.00 1.10 H new ATOM 0 HG21 ILE A 23 5.884 -12.340 1.247 1.00 0.82 H new ATOM 0 HG22 ILE A 23 4.301 -12.059 2.011 1.00 0.82 H new ATOM 0 HG23 ILE A 23 4.953 -10.874 0.854 1.00 0.82 H new ATOM 0 HD11 ILE A 23 9.136 -9.428 2.668 1.00 1.00 H new ATOM 0 HD12 ILE A 23 7.951 -9.205 3.976 1.00 1.00 H new ATOM 0 HD13 ILE A 23 8.639 -10.816 3.664 1.00 1.00 H new ATOM 339 N LEU A 24 2.678 -10.570 3.046 1.00 0.66 N ATOM 340 CA LEU A 24 1.301 -10.863 3.413 1.00 0.76 C ATOM 341 C LEU A 24 0.994 -12.331 3.157 1.00 0.93 C ATOM 342 O LEU A 24 0.892 -13.119 4.092 1.00 1.14 O ATOM 343 CB LEU A 24 0.378 -9.941 2.606 1.00 0.75 C ATOM 344 CG LEU A 24 0.719 -8.467 2.801 1.00 0.69 C ATOM 345 CD1 LEU A 24 -0.035 -7.694 1.731 1.00 0.97 C ATOM 346 CD2 LEU A 24 0.369 -8.015 4.216 1.00 0.94 C ATOM 0 H LEU A 24 2.837 -10.579 2.039 1.00 0.66 H new ATOM 0 HA LEU A 24 1.140 -10.681 4.476 1.00 0.76 H new ATOM 0 HB2 LEU A 24 0.452 -10.192 1.548 1.00 0.75 H new ATOM 0 HB3 LEU A 24 -0.656 -10.115 2.903 1.00 0.75 H new ATOM 0 HG LEU A 24 1.788 -8.285 2.693 1.00 0.69 H new ATOM 0 HD11 LEU A 24 0.179 -6.630 1.832 1.00 0.97 H new ATOM 0 HD12 LEU A 24 0.280 -8.036 0.745 1.00 0.97 H new ATOM 0 HD13 LEU A 24 -1.106 -7.861 1.848 1.00 0.97 H new ATOM 0 HD21 LEU A 24 0.620 -6.961 4.334 1.00 0.94 H new ATOM 0 HD22 LEU A 24 -0.698 -8.155 4.389 1.00 0.94 H new ATOM 0 HD23 LEU A 24 0.934 -8.605 4.937 1.00 0.94 H new ATOM 358 N GLU A 25 0.899 -12.687 1.878 1.00 0.90 N ATOM 359 CA GLU A 25 0.598 -14.017 1.384 1.00 1.18 C ATOM 360 C GLU A 25 -0.816 -14.443 1.775 1.00 1.56 C ATOM 361 O GLU A 25 -1.636 -13.632 2.211 1.00 3.11 O ATOM 362 CB GLU A 25 1.688 -15.031 1.775 1.00 1.52 C ATOM 363 CG GLU A 25 3.086 -14.410 1.720 1.00 1.16 C ATOM 364 CD GLU A 25 4.225 -15.428 1.654 1.00 1.36 C ATOM 365 OE1 GLU A 25 5.313 -15.019 1.187 1.00 1.87 O ATOM 366 OE2 GLU A 25 4.009 -16.582 2.081 1.00 2.08 O ATOM 0 H GLU A 25 1.038 -12.015 1.123 1.00 0.90 H new ATOM 0 HA GLU A 25 0.611 -13.991 0.294 1.00 1.18 H new ATOM 0 HB2 GLU A 25 1.495 -15.403 2.781 1.00 1.52 H new ATOM 0 HB3 GLU A 25 1.644 -15.889 1.104 1.00 1.52 H new ATOM 0 HG2 GLU A 25 3.147 -13.757 0.849 1.00 1.16 H new ATOM 0 HG3 GLU A 25 3.226 -13.782 2.600 1.00 1.16 H new ATOM 373 N GLU A 26 -1.128 -15.716 1.538 1.00 1.67 N ATOM 374 CA GLU A 26 -2.468 -16.239 1.725 1.00 1.98 C ATOM 375 C GLU A 26 -2.891 -16.068 3.183 1.00 2.07 C ATOM 376 O GLU A 26 -2.148 -16.419 4.099 1.00 3.07 O ATOM 377 CB GLU A 26 -2.491 -17.712 1.290 1.00 3.33 C ATOM 378 CG GLU A 26 -3.849 -18.400 1.488 1.00 4.34 C ATOM 379 CD GLU A 26 -4.970 -17.718 0.701 1.00 5.50 C ATOM 380 OE1 GLU A 26 -5.452 -18.337 -0.273 1.00 6.48 O ATOM 381 OE2 GLU A 26 -5.330 -16.585 1.093 1.00 6.16 O ATOM 0 H GLU A 26 -0.455 -16.409 1.211 1.00 1.67 H new ATOM 0 HA GLU A 26 -3.182 -15.689 1.112 1.00 1.98 H new ATOM 0 HB2 GLU A 26 -2.214 -17.774 0.238 1.00 3.33 H new ATOM 0 HB3 GLU A 26 -1.733 -18.258 1.852 1.00 3.33 H new ATOM 0 HG2 GLU A 26 -3.774 -19.442 1.178 1.00 4.34 H new ATOM 0 HG3 GLU A 26 -4.102 -18.400 2.548 1.00 4.34 H new ATOM 388 N GLY A 27 -4.088 -15.525 3.398 1.00 2.25 N ATOM 389 CA GLY A 27 -4.626 -15.260 4.721 1.00 3.29 C ATOM 390 C GLY A 27 -4.783 -13.765 4.968 1.00 2.83 C ATOM 391 O GLY A 27 -5.754 -13.357 5.604 1.00 3.11 O ATOM 0 H GLY A 27 -4.717 -15.254 2.642 1.00 2.25 H new ATOM 0 HA2 GLY A 27 -5.593 -15.751 4.827 1.00 3.29 H new ATOM 0 HA3 GLY A 27 -3.966 -15.688 5.476 1.00 3.29 H new ATOM 395 N GLU A 28 -3.831 -12.951 4.509 1.00 2.33 N ATOM 396 CA GLU A 28 -3.915 -11.504 4.664 1.00 2.04 C ATOM 397 C GLU A 28 -4.670 -10.896 3.484 1.00 1.74 C ATOM 398 O GLU A 28 -4.966 -11.583 2.506 1.00 2.14 O ATOM 399 CB GLU A 28 -2.497 -10.926 4.781 1.00 2.27 C ATOM 400 CG GLU A 28 -2.097 -10.739 6.248 1.00 2.95 C ATOM 401 CD GLU A 28 -2.740 -9.478 6.830 1.00 3.79 C ATOM 402 OE1 GLU A 28 -2.111 -8.820 7.686 1.00 4.72 O ATOM 403 OE2 GLU A 28 -3.833 -9.097 6.348 1.00 4.20 O ATOM 0 H GLU A 28 -2.992 -13.273 4.026 1.00 2.33 H new ATOM 0 HA GLU A 28 -4.465 -11.257 5.572 1.00 2.04 H new ATOM 0 HB2 GLU A 28 -1.788 -11.592 4.290 1.00 2.27 H new ATOM 0 HB3 GLU A 28 -2.447 -9.969 4.262 1.00 2.27 H new ATOM 0 HG2 GLU A 28 -2.404 -11.610 6.827 1.00 2.95 H new ATOM 0 HG3 GLU A 28 -1.012 -10.670 6.328 1.00 2.95 H new ATOM 410 N ASP A 29 -4.992 -9.603 3.566 1.00 1.44 N ATOM 411 CA ASP A 29 -5.728 -8.909 2.526 1.00 1.33 C ATOM 412 C ASP A 29 -4.842 -7.918 1.771 1.00 1.19 C ATOM 413 O ASP A 29 -3.659 -7.753 2.073 1.00 1.80 O ATOM 414 CB ASP A 29 -6.980 -8.263 3.121 1.00 1.31 C ATOM 415 CG ASP A 29 -6.751 -7.000 3.953 1.00 2.88 C ATOM 416 OD1 ASP A 29 -5.625 -6.446 3.936 1.00 4.51 O ATOM 417 OD2 ASP A 29 -7.755 -6.556 4.552 1.00 3.44 O ATOM 0 H ASP A 29 -4.745 -9.013 4.361 1.00 1.44 H new ATOM 0 HA ASP A 29 -6.055 -9.632 1.779 1.00 1.33 H new ATOM 0 HB2 ASP A 29 -7.661 -8.019 2.306 1.00 1.31 H new ATOM 0 HB3 ASP A 29 -7.483 -9.000 3.747 1.00 1.31 H new ATOM 422 N VAL A 30 -5.391 -7.283 0.732 1.00 0.82 N ATOM 423 CA VAL A 30 -4.603 -6.480 -0.187 1.00 0.85 C ATOM 424 C VAL A 30 -5.429 -5.291 -0.664 1.00 0.77 C ATOM 425 O VAL A 30 -6.651 -5.384 -0.776 1.00 1.05 O ATOM 426 CB VAL A 30 -4.118 -7.348 -1.364 1.00 1.22 C ATOM 427 CG1 VAL A 30 -3.306 -8.545 -0.866 1.00 1.71 C ATOM 428 CG2 VAL A 30 -5.260 -7.887 -2.236 1.00 1.68 C ATOM 0 H VAL A 30 -6.386 -7.315 0.511 1.00 0.82 H new ATOM 0 HA VAL A 30 -3.720 -6.094 0.323 1.00 0.85 H new ATOM 0 HB VAL A 30 -3.503 -6.684 -1.971 1.00 1.22 H new ATOM 0 HG11 VAL A 30 -2.976 -9.140 -1.717 1.00 1.71 H new ATOM 0 HG12 VAL A 30 -2.436 -8.190 -0.313 1.00 1.71 H new ATOM 0 HG13 VAL A 30 -3.926 -9.159 -0.212 1.00 1.71 H new ATOM 0 HG21 VAL A 30 -4.847 -8.489 -3.045 1.00 1.68 H new ATOM 0 HG22 VAL A 30 -5.923 -8.502 -1.628 1.00 1.68 H new ATOM 0 HG23 VAL A 30 -5.822 -7.053 -2.655 1.00 1.68 H new ATOM 438 N ARG A 31 -4.771 -4.173 -0.980 1.00 0.91 N ATOM 439 CA ARG A 31 -5.383 -3.073 -1.713 1.00 0.98 C ATOM 440 C ARG A 31 -4.298 -2.333 -2.487 1.00 1.01 C ATOM 441 O ARG A 31 -3.109 -2.483 -2.203 1.00 1.82 O ATOM 442 CB ARG A 31 -6.121 -2.100 -0.771 1.00 0.99 C ATOM 443 CG ARG A 31 -7.574 -2.516 -0.492 1.00 1.87 C ATOM 444 CD ARG A 31 -8.421 -1.264 -0.224 1.00 1.69 C ATOM 445 NE ARG A 31 -9.802 -1.586 0.169 1.00 2.76 N ATOM 446 CZ ARG A 31 -10.844 -1.838 -0.640 1.00 3.59 C ATOM 447 NH1 ARG A 31 -12.045 -2.042 -0.106 1.00 4.64 N ATOM 448 NH2 ARG A 31 -10.704 -1.885 -1.967 1.00 4.29 N ATOM 0 H ARG A 31 -3.795 -4.009 -0.732 1.00 0.91 H new ATOM 0 HA ARG A 31 -6.124 -3.482 -2.400 1.00 0.98 H new ATOM 0 HB2 ARG A 31 -5.580 -2.037 0.173 1.00 0.99 H new ATOM 0 HB3 ARG A 31 -6.113 -1.102 -1.210 1.00 0.99 H new ATOM 0 HG2 ARG A 31 -7.976 -3.065 -1.343 1.00 1.87 H new ATOM 0 HG3 ARG A 31 -7.613 -3.186 0.367 1.00 1.87 H new ATOM 0 HD2 ARG A 31 -7.952 -0.675 0.564 1.00 1.69 H new ATOM 0 HD3 ARG A 31 -8.438 -0.643 -1.120 1.00 1.69 H new ATOM 0 HE ARG A 31 -9.989 -1.622 1.171 1.00 2.76 H new ATOM 0 HH11 ARG A 31 -12.166 -2.006 0.906 1.00 4.64 H new ATOM 0 HH12 ARG A 31 -12.845 -2.234 -0.709 1.00 4.64 H new ATOM 0 HH21 ARG A 31 -9.789 -1.728 -2.389 1.00 4.29 H new ATOM 0 HH22 ARG A 31 -11.512 -2.078 -2.559 1.00 4.29 H new ATOM 462 N ARG A 32 -4.728 -1.498 -3.432 1.00 0.65 N ATOM 463 CA ARG A 32 -3.893 -0.582 -4.190 1.00 0.75 C ATOM 464 C ARG A 32 -4.636 0.740 -4.206 1.00 0.70 C ATOM 465 O ARG A 32 -5.840 0.750 -4.453 1.00 0.91 O ATOM 466 CB ARG A 32 -3.738 -1.100 -5.625 1.00 0.88 C ATOM 467 CG ARG A 32 -2.762 -0.275 -6.469 1.00 2.95 C ATOM 468 CD ARG A 32 -3.262 -0.168 -7.918 1.00 2.39 C ATOM 469 NE ARG A 32 -2.506 -1.051 -8.821 1.00 4.12 N ATOM 470 CZ ARG A 32 -2.877 -1.394 -10.061 1.00 4.54 C ATOM 471 NH1 ARG A 32 -2.105 -2.203 -10.787 1.00 6.28 N ATOM 472 NH2 ARG A 32 -4.016 -0.926 -10.574 1.00 3.74 N ATOM 0 H ARG A 32 -5.711 -1.443 -3.698 1.00 0.65 H new ATOM 0 HA ARG A 32 -2.900 -0.482 -3.752 1.00 0.75 H new ATOM 0 HB2 ARG A 32 -3.396 -2.134 -5.595 1.00 0.88 H new ATOM 0 HB3 ARG A 32 -4.714 -1.102 -6.110 1.00 0.88 H new ATOM 0 HG2 ARG A 32 -2.654 0.721 -6.041 1.00 2.95 H new ATOM 0 HG3 ARG A 32 -1.775 -0.738 -6.452 1.00 2.95 H new ATOM 0 HD2 ARG A 32 -4.320 -0.426 -7.958 1.00 2.39 H new ATOM 0 HD3 ARG A 32 -3.173 0.864 -8.259 1.00 2.39 H new ATOM 0 HE ARG A 32 -1.627 -1.433 -8.473 1.00 4.12 H new ATOM 0 HH11 ARG A 32 -1.232 -2.560 -10.398 1.00 6.28 H new ATOM 0 HH12 ARG A 32 -2.387 -2.465 -11.732 1.00 6.28 H new ATOM 0 HH21 ARG A 32 -4.607 -0.305 -10.021 1.00 3.74 H new ATOM 0 HH22 ARG A 32 -4.296 -1.189 -11.519 1.00 3.74 H new ATOM 486 N LEU A 33 -3.940 1.841 -3.952 1.00 0.77 N ATOM 487 CA LEU A 33 -4.479 3.167 -4.160 1.00 0.77 C ATOM 488 C LEU A 33 -4.392 3.509 -5.651 1.00 0.79 C ATOM 489 O LEU A 33 -3.641 2.864 -6.388 1.00 0.95 O ATOM 490 CB LEU A 33 -3.741 4.178 -3.261 1.00 1.25 C ATOM 491 CG LEU A 33 -2.506 3.686 -2.483 1.00 0.75 C ATOM 492 CD1 LEU A 33 -1.269 3.571 -3.368 1.00 2.31 C ATOM 493 CD2 LEU A 33 -2.163 4.668 -1.376 1.00 2.35 C ATOM 0 H LEU A 33 -2.984 1.833 -3.595 1.00 0.77 H new ATOM 0 HA LEU A 33 -5.530 3.210 -3.875 1.00 0.77 H new ATOM 0 HB2 LEU A 33 -3.431 5.016 -3.885 1.00 1.25 H new ATOM 0 HB3 LEU A 33 -4.458 4.568 -2.538 1.00 1.25 H new ATOM 0 HG LEU A 33 -2.765 2.703 -2.089 1.00 0.75 H new ATOM 0 HD11 LEU A 33 -0.426 3.221 -2.772 1.00 2.31 H new ATOM 0 HD12 LEU A 33 -1.463 2.863 -4.174 1.00 2.31 H new ATOM 0 HD13 LEU A 33 -1.033 4.547 -3.792 1.00 2.31 H new ATOM 0 HD21 LEU A 33 -1.289 4.312 -0.832 1.00 2.35 H new ATOM 0 HD22 LEU A 33 -1.947 5.644 -1.810 1.00 2.35 H new ATOM 0 HD23 LEU A 33 -3.007 4.754 -0.691 1.00 2.35 H new ATOM 505 N PRO A 34 -5.081 4.561 -6.121 1.00 0.74 N ATOM 506 CA PRO A 34 -5.079 4.951 -7.531 1.00 0.79 C ATOM 507 C PRO A 34 -3.690 5.352 -8.048 1.00 0.86 C ATOM 508 O PRO A 34 -3.503 5.538 -9.245 1.00 1.05 O ATOM 509 CB PRO A 34 -6.081 6.107 -7.634 1.00 0.80 C ATOM 510 CG PRO A 34 -6.111 6.690 -6.222 1.00 0.79 C ATOM 511 CD PRO A 34 -5.930 5.452 -5.346 1.00 0.75 C ATOM 0 HA PRO A 34 -5.360 4.108 -8.162 1.00 0.79 H new ATOM 0 HB2 PRO A 34 -5.762 6.849 -8.366 1.00 0.80 H new ATOM 0 HB3 PRO A 34 -7.066 5.757 -7.943 1.00 0.80 H new ATOM 0 HG2 PRO A 34 -5.314 7.417 -6.067 1.00 0.79 H new ATOM 0 HG3 PRO A 34 -7.052 7.200 -6.014 1.00 0.79 H new ATOM 0 HD2 PRO A 34 -5.467 5.708 -4.393 1.00 0.75 H new ATOM 0 HD3 PRO A 34 -6.889 4.985 -5.120 1.00 0.75 H new ATOM 519 N CYS A 35 -2.701 5.443 -7.158 1.00 0.78 N ATOM 520 CA CYS A 35 -1.331 5.818 -7.440 1.00 0.94 C ATOM 521 C CYS A 35 -0.511 4.589 -7.860 1.00 0.84 C ATOM 522 O CYS A 35 0.727 4.676 -7.912 1.00 0.87 O ATOM 523 CB CYS A 35 -0.839 6.418 -6.121 1.00 1.11 C ATOM 524 SG CYS A 35 0.880 6.967 -6.160 1.00 1.79 S ATOM 0 H CYS A 35 -2.852 5.244 -6.169 1.00 0.78 H new ATOM 0 HA CYS A 35 -1.235 6.522 -8.267 1.00 0.94 H new ATOM 0 HB2 CYS A 35 -1.474 7.264 -5.859 1.00 1.11 H new ATOM 0 HB3 CYS A 35 -0.955 5.676 -5.331 1.00 1.11 H new ATOM 529 N MET A 36 -1.171 3.458 -8.153 1.00 0.91 N ATOM 530 CA MET A 36 -0.545 2.254 -8.672 1.00 0.94 C ATOM 531 C MET A 36 0.615 1.834 -7.794 1.00 0.88 C ATOM 532 O MET A 36 1.768 1.735 -8.201 1.00 0.94 O ATOM 533 CB MET A 36 -0.197 2.378 -10.157 1.00 1.23 C ATOM 534 CG MET A 36 -1.490 2.416 -10.971 1.00 1.52 C ATOM 535 SD MET A 36 -1.234 2.527 -12.757 1.00 2.42 S ATOM 536 CE MET A 36 -2.958 2.414 -13.296 1.00 3.18 C ATOM 0 H MET A 36 -2.179 3.363 -8.029 1.00 0.91 H new ATOM 0 HA MET A 36 -1.269 1.440 -8.629 1.00 0.94 H new ATOM 0 HB2 MET A 36 0.385 3.283 -10.333 1.00 1.23 H new ATOM 0 HB3 MET A 36 0.420 1.536 -10.470 1.00 1.23 H new ATOM 0 HG2 MET A 36 -2.071 1.520 -10.753 1.00 1.52 H new ATOM 0 HG3 MET A 36 -2.086 3.269 -10.646 1.00 1.52 H new ATOM 0 HE1 MET A 36 -3.003 2.465 -14.384 1.00 3.18 H new ATOM 0 HE2 MET A 36 -3.383 1.469 -12.959 1.00 3.18 H new ATOM 0 HE3 MET A 36 -3.527 3.240 -12.870 1.00 3.18 H new ATOM 546 N HIS A 37 0.252 1.582 -6.547 1.00 0.88 N ATOM 547 CA HIS A 37 1.146 1.234 -5.480 1.00 0.95 C ATOM 548 C HIS A 37 0.289 0.298 -4.619 1.00 1.01 C ATOM 549 O HIS A 37 -0.697 0.746 -4.035 1.00 1.50 O ATOM 550 CB HIS A 37 1.589 2.555 -4.812 1.00 0.98 C ATOM 551 CG HIS A 37 2.947 3.049 -5.269 1.00 1.12 C ATOM 552 ND1 HIS A 37 3.282 4.166 -6.070 1.00 1.11 N ATOM 553 CD2 HIS A 37 4.101 2.400 -4.922 1.00 1.36 C ATOM 554 CE1 HIS A 37 4.617 4.124 -6.184 1.00 1.33 C ATOM 555 NE2 HIS A 37 5.139 3.089 -5.505 1.00 1.50 N ATOM 0 H HIS A 37 -0.722 1.619 -6.248 1.00 0.88 H new ATOM 0 HA HIS A 37 2.076 0.728 -5.740 1.00 0.95 H new ATOM 0 HB2 HIS A 37 0.845 3.324 -5.020 1.00 0.98 H new ATOM 0 HB3 HIS A 37 1.609 2.415 -3.731 1.00 0.98 H new ATOM 0 HD2 HIS A 37 4.181 1.515 -4.308 1.00 1.36 H new ATOM 0 HE1 HIS A 37 5.200 4.834 -6.751 1.00 1.33 H new ATOM 0 HE2 HIS A 37 6.129 2.855 -5.434 1.00 1.50 H new ATOM 563 N LEU A 38 0.548 -1.014 -4.660 1.00 0.83 N ATOM 564 CA LEU A 38 -0.238 -1.987 -3.904 1.00 0.85 C ATOM 565 C LEU A 38 0.542 -2.319 -2.653 1.00 0.84 C ATOM 566 O LEU A 38 1.756 -2.491 -2.721 1.00 1.14 O ATOM 567 CB LEU A 38 -0.614 -3.234 -4.736 1.00 1.33 C ATOM 568 CG LEU A 38 0.075 -4.573 -4.390 1.00 1.14 C ATOM 569 CD1 LEU A 38 -0.331 -5.156 -3.028 1.00 1.55 C ATOM 570 CD2 LEU A 38 -0.337 -5.595 -5.451 1.00 2.49 C ATOM 0 H LEU A 38 1.301 -1.425 -5.213 1.00 0.83 H new ATOM 0 HA LEU A 38 -1.203 -1.558 -3.633 1.00 0.85 H new ATOM 0 HB2 LEU A 38 -1.691 -3.381 -4.650 1.00 1.33 H new ATOM 0 HB3 LEU A 38 -0.406 -3.012 -5.783 1.00 1.33 H new ATOM 0 HG LEU A 38 1.146 -4.375 -4.356 1.00 1.14 H new ATOM 0 HD11 LEU A 38 0.197 -6.095 -2.862 1.00 1.55 H new ATOM 0 HD12 LEU A 38 -0.073 -4.450 -2.239 1.00 1.55 H new ATOM 0 HD13 LEU A 38 -1.406 -5.337 -3.015 1.00 1.55 H new ATOM 0 HD21 LEU A 38 0.134 -6.554 -5.235 1.00 2.49 H new ATOM 0 HD22 LEU A 38 -1.421 -5.713 -5.441 1.00 2.49 H new ATOM 0 HD23 LEU A 38 -0.018 -5.248 -6.434 1.00 2.49 H new ATOM 582 N PHE A 39 -0.164 -2.406 -1.529 1.00 0.79 N ATOM 583 CA PHE A 39 0.427 -2.705 -0.242 1.00 1.03 C ATOM 584 C PHE A 39 -0.440 -3.766 0.438 1.00 1.33 C ATOM 585 O PHE A 39 -0.266 -4.948 0.186 1.00 2.70 O ATOM 586 CB PHE A 39 0.612 -1.405 0.567 1.00 1.07 C ATOM 587 CG PHE A 39 1.424 -0.326 -0.133 1.00 0.95 C ATOM 588 CD1 PHE A 39 0.920 0.985 -0.245 1.00 1.49 C ATOM 589 CD2 PHE A 39 2.679 -0.630 -0.693 1.00 1.85 C ATOM 590 CE1 PHE A 39 1.672 1.984 -0.891 1.00 1.71 C ATOM 591 CE2 PHE A 39 3.408 0.355 -1.376 1.00 1.89 C ATOM 592 CZ PHE A 39 2.918 1.667 -1.457 1.00 1.32 C ATOM 0 H PHE A 39 -1.174 -2.268 -1.493 1.00 0.79 H new ATOM 0 HA PHE A 39 1.430 -3.122 -0.336 1.00 1.03 H new ATOM 0 HB2 PHE A 39 -0.371 -1.001 0.808 1.00 1.07 H new ATOM 0 HB3 PHE A 39 1.097 -1.648 1.512 1.00 1.07 H new ATOM 0 HD1 PHE A 39 -0.049 1.225 0.167 1.00 1.49 H new ATOM 0 HD2 PHE A 39 3.083 -1.627 -0.596 1.00 1.85 H new ATOM 0 HE1 PHE A 39 1.292 2.993 -0.951 1.00 1.71 H new ATOM 0 HE2 PHE A 39 4.349 0.102 -1.841 1.00 1.89 H new ATOM 0 HZ PHE A 39 3.497 2.432 -1.953 1.00 1.32 H new ATOM 602 N HIS A 40 -1.380 -3.362 1.290 1.00 0.81 N ATOM 603 CA HIS A 40 -2.085 -4.213 2.244 1.00 0.74 C ATOM 604 C HIS A 40 -3.207 -3.335 2.776 1.00 0.66 C ATOM 605 O HIS A 40 -2.962 -2.135 2.919 1.00 1.21 O ATOM 606 CB HIS A 40 -1.077 -4.547 3.347 1.00 1.06 C ATOM 607 CG HIS A 40 -1.550 -5.182 4.619 1.00 0.70 C ATOM 608 ND1 HIS A 40 -0.909 -5.040 5.855 1.00 0.84 N ATOM 609 CD2 HIS A 40 -2.549 -6.103 4.728 1.00 0.77 C ATOM 610 CE1 HIS A 40 -1.510 -5.926 6.666 1.00 1.13 C ATOM 611 NE2 HIS A 40 -2.522 -6.538 6.029 1.00 1.09 N ATOM 0 H HIS A 40 -1.684 -2.389 1.336 1.00 0.81 H new ATOM 0 HA HIS A 40 -2.483 -5.141 1.833 1.00 0.74 H new ATOM 0 HB2 HIS A 40 -0.327 -5.208 2.913 1.00 1.06 H new ATOM 0 HB3 HIS A 40 -0.569 -3.621 3.615 1.00 1.06 H new ATOM 0 HD2 HIS A 40 -3.224 -6.425 3.949 1.00 0.77 H new ATOM 0 HE1 HIS A 40 -1.220 -6.119 7.688 1.00 1.13 H new ATOM 0 HE2 HIS A 40 -3.164 -7.214 6.444 1.00 1.09 H new ATOM 619 N GLN A 41 -4.407 -3.848 3.061 1.00 0.57 N ATOM 620 CA GLN A 41 -5.489 -2.964 3.490 1.00 0.63 C ATOM 621 C GLN A 41 -5.047 -2.221 4.751 1.00 0.85 C ATOM 622 O GLN A 41 -5.129 -0.997 4.817 1.00 1.26 O ATOM 623 CB GLN A 41 -6.777 -3.773 3.683 1.00 0.76 C ATOM 624 CG GLN A 41 -8.077 -2.958 3.702 1.00 1.08 C ATOM 625 CD GLN A 41 -8.385 -2.320 5.057 1.00 2.24 C ATOM 626 OE1 GLN A 41 -7.618 -2.412 6.005 1.00 3.65 O ATOM 627 NE2 GLN A 41 -9.527 -1.655 5.173 1.00 2.97 N ATOM 0 H GLN A 41 -4.648 -4.838 3.005 1.00 0.57 H new ATOM 0 HA GLN A 41 -5.708 -2.215 2.729 1.00 0.63 H new ATOM 0 HB2 GLN A 41 -6.844 -4.511 2.884 1.00 0.76 H new ATOM 0 HB3 GLN A 41 -6.701 -4.324 4.620 1.00 0.76 H new ATOM 0 HG2 GLN A 41 -8.014 -2.174 2.947 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -8.906 -3.607 3.419 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -10.159 -1.585 4.376 1.00 2.97 H new ATOM 0 HE22 GLN A 41 -9.773 -1.214 6.059 1.00 2.97 H new ATOM 636 N VAL A 42 -4.486 -2.951 5.715 1.00 0.87 N ATOM 637 CA VAL A 42 -4.042 -2.351 6.964 1.00 1.14 C ATOM 638 C VAL A 42 -2.866 -1.387 6.749 1.00 1.20 C ATOM 639 O VAL A 42 -2.757 -0.417 7.485 1.00 1.44 O ATOM 640 CB VAL A 42 -3.690 -3.435 7.996 1.00 1.35 C ATOM 641 CG1 VAL A 42 -3.357 -2.831 9.365 1.00 1.54 C ATOM 642 CG2 VAL A 42 -4.836 -4.437 8.182 1.00 1.45 C ATOM 0 H VAL A 42 -4.330 -3.957 5.651 1.00 0.87 H new ATOM 0 HA VAL A 42 -4.871 -1.762 7.357 1.00 1.14 H new ATOM 0 HB VAL A 42 -2.814 -3.949 7.600 1.00 1.35 H new ATOM 0 HG11 VAL A 42 -3.114 -3.630 10.066 1.00 1.54 H new ATOM 0 HG12 VAL A 42 -2.503 -2.160 9.269 1.00 1.54 H new ATOM 0 HG13 VAL A 42 -4.217 -2.273 9.735 1.00 1.54 H new ATOM 0 HG21 VAL A 42 -4.548 -5.187 8.919 1.00 1.45 H new ATOM 0 HG22 VAL A 42 -5.726 -3.912 8.528 1.00 1.45 H new ATOM 0 HG23 VAL A 42 -5.050 -4.926 7.232 1.00 1.45 H new ATOM 652 N CYS A 43 -1.951 -1.626 5.795 1.00 1.26 N ATOM 653 CA CYS A 43 -0.864 -0.684 5.562 1.00 1.49 C ATOM 654 C CYS A 43 -1.471 0.641 5.131 1.00 1.02 C ATOM 655 O CYS A 43 -1.204 1.698 5.712 1.00 0.90 O ATOM 656 CB CYS A 43 -0.014 -1.174 4.386 1.00 2.00 C ATOM 657 SG CYS A 43 1.264 -2.342 4.917 1.00 2.69 S ATOM 0 H CYS A 43 -1.947 -2.447 5.189 1.00 1.26 H new ATOM 0 HA CYS A 43 -0.265 -0.588 6.467 1.00 1.49 H new ATOM 0 HB2 CYS A 43 -0.658 -1.651 3.647 1.00 2.00 H new ATOM 0 HB3 CYS A 43 0.455 -0.320 3.897 1.00 2.00 H new ATOM 662 N VAL A 44 -2.194 0.581 4.012 1.00 0.91 N ATOM 663 CA VAL A 44 -2.613 1.778 3.331 1.00 0.82 C ATOM 664 C VAL A 44 -3.473 2.587 4.306 1.00 0.76 C ATOM 665 O VAL A 44 -3.219 3.770 4.522 1.00 0.73 O ATOM 666 CB VAL A 44 -3.282 1.442 1.983 1.00 0.94 C ATOM 667 CG1 VAL A 44 -4.644 0.749 2.074 1.00 1.61 C ATOM 668 CG2 VAL A 44 -3.437 2.707 1.144 1.00 1.98 C ATOM 0 H VAL A 44 -2.494 -0.287 3.569 1.00 0.91 H new ATOM 0 HA VAL A 44 -1.767 2.404 3.048 1.00 0.82 H new ATOM 0 HB VAL A 44 -2.607 0.723 1.519 1.00 0.94 H new ATOM 0 HG11 VAL A 44 -5.023 0.559 1.070 1.00 1.61 H new ATOM 0 HG12 VAL A 44 -4.536 -0.196 2.606 1.00 1.61 H new ATOM 0 HG13 VAL A 44 -5.343 1.390 2.611 1.00 1.61 H new ATOM 0 HG21 VAL A 44 -3.910 2.458 0.194 1.00 1.98 H new ATOM 0 HG22 VAL A 44 -4.056 3.426 1.681 1.00 1.98 H new ATOM 0 HG23 VAL A 44 -2.455 3.142 0.957 1.00 1.98 H new ATOM 678 N ASP A 45 -4.410 1.928 4.991 1.00 0.83 N ATOM 679 CA ASP A 45 -5.313 2.552 5.953 1.00 0.93 C ATOM 680 C ASP A 45 -4.652 2.762 7.326 1.00 0.96 C ATOM 681 O ASP A 45 -5.325 2.793 8.352 1.00 1.07 O ATOM 682 CB ASP A 45 -6.580 1.691 6.071 1.00 1.09 C ATOM 683 CG ASP A 45 -7.757 2.469 6.659 1.00 1.41 C ATOM 684 OD1 ASP A 45 -8.615 1.821 7.296 1.00 2.48 O ATOM 685 OD2 ASP A 45 -7.827 3.690 6.384 1.00 2.01 O ATOM 0 H ASP A 45 -4.563 0.925 4.888 1.00 0.83 H new ATOM 0 HA ASP A 45 -5.574 3.546 5.591 1.00 0.93 H new ATOM 0 HB2 ASP A 45 -6.853 1.313 5.086 1.00 1.09 H new ATOM 0 HB3 ASP A 45 -6.371 0.824 6.698 1.00 1.09 H new ATOM 690 N GLN A 46 -3.330 2.957 7.366 1.00 0.91 N ATOM 691 CA GLN A 46 -2.606 3.290 8.587 1.00 0.97 C ATOM 692 C GLN A 46 -1.573 4.391 8.330 1.00 0.90 C ATOM 693 O GLN A 46 -1.357 5.226 9.208 1.00 1.07 O ATOM 694 CB GLN A 46 -2.021 2.013 9.208 1.00 1.00 C ATOM 695 CG GLN A 46 -1.568 2.179 10.667 1.00 1.09 C ATOM 696 CD GLN A 46 -0.066 2.404 10.813 1.00 1.98 C ATOM 697 OE1 GLN A 46 0.702 1.459 10.937 1.00 2.41 O ATOM 698 NE2 GLN A 46 0.387 3.649 10.818 1.00 3.68 N ATOM 0 H GLN A 46 -2.732 2.887 6.543 1.00 0.91 H new ATOM 0 HA GLN A 46 -3.292 3.708 9.324 1.00 0.97 H new ATOM 0 HB2 GLN A 46 -2.769 1.221 9.158 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -1.171 1.686 8.609 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -2.099 3.021 11.111 1.00 1.09 H new ATOM 0 HG3 GLN A 46 -1.851 1.290 11.231 1.00 1.09 H new ATOM 0 HE21 GLN A 46 -0.263 4.428 10.714 1.00 3.68 H new ATOM 0 HE22 GLN A 46 1.385 3.828 10.926 1.00 3.68 H new ATOM 707 N ARG A 47 -0.951 4.450 7.145 1.00 0.94 N ATOM 708 CA ARG A 47 -0.099 5.587 6.779 1.00 1.04 C ATOM 709 C ARG A 47 -0.892 6.636 6.000 1.00 1.09 C ATOM 710 O ARG A 47 -0.766 7.828 6.265 1.00 1.38 O ATOM 711 CB ARG A 47 1.117 5.099 5.980 1.00 1.14 C ATOM 712 CG ARG A 47 2.096 6.220 5.585 1.00 1.44 C ATOM 713 CD ARG A 47 2.957 5.800 4.387 1.00 1.83 C ATOM 714 NE ARG A 47 3.825 6.899 3.928 1.00 2.59 N ATOM 715 CZ ARG A 47 5.134 7.044 4.175 1.00 2.75 C ATOM 716 NH1 ARG A 47 5.795 8.076 3.647 1.00 3.56 N ATOM 717 NH2 ARG A 47 5.786 6.167 4.940 1.00 2.95 N ATOM 0 H ARG A 47 -1.022 3.728 6.428 1.00 0.94 H new ATOM 0 HA ARG A 47 0.260 6.062 7.692 1.00 1.04 H new ATOM 0 HB2 ARG A 47 1.652 4.354 6.570 1.00 1.14 H new ATOM 0 HB3 ARG A 47 0.769 4.599 5.076 1.00 1.14 H new ATOM 0 HG2 ARG A 47 1.539 7.124 5.338 1.00 1.44 H new ATOM 0 HG3 ARG A 47 2.738 6.462 6.432 1.00 1.44 H new ATOM 0 HD2 ARG A 47 3.571 4.942 4.663 1.00 1.83 H new ATOM 0 HD3 ARG A 47 2.311 5.480 3.569 1.00 1.83 H new ATOM 0 HE ARG A 47 3.383 7.625 3.364 1.00 2.59 H new ATOM 0 HH11 ARG A 47 5.304 8.749 3.059 1.00 3.56 H new ATOM 0 HH12 ARG A 47 6.791 8.192 3.832 1.00 3.56 H new ATOM 0 HH21 ARG A 47 5.288 5.374 5.345 1.00 2.95 H new ATOM 0 HH22 ARG A 47 6.783 6.289 5.120 1.00 2.95 H new ATOM 731 N LEU A 48 -1.682 6.232 5.004 1.00 0.96 N ATOM 732 CA LEU A 48 -2.329 7.182 4.104 1.00 1.03 C ATOM 733 C LEU A 48 -3.520 7.835 4.800 1.00 1.15 C ATOM 734 O LEU A 48 -4.044 8.841 4.332 1.00 1.54 O ATOM 735 CB LEU A 48 -2.771 6.508 2.800 1.00 0.99 C ATOM 736 CG LEU A 48 -1.630 6.088 1.859 1.00 0.96 C ATOM 737 CD1 LEU A 48 -0.890 7.287 1.267 1.00 1.36 C ATOM 738 CD2 LEU A 48 -0.596 5.148 2.482 1.00 0.83 C ATOM 0 H LEU A 48 -1.888 5.254 4.802 1.00 0.96 H new ATOM 0 HA LEU A 48 -1.602 7.952 3.846 1.00 1.03 H new ATOM 0 HB2 LEU A 48 -3.359 5.625 3.048 1.00 0.99 H new ATOM 0 HB3 LEU A 48 -3.431 7.190 2.263 1.00 0.99 H new ATOM 0 HG LEU A 48 -2.149 5.537 1.074 1.00 0.96 H new ATOM 0 HD11 LEU A 48 -0.094 6.935 0.610 1.00 1.36 H new ATOM 0 HD12 LEU A 48 -1.588 7.900 0.696 1.00 1.36 H new ATOM 0 HD13 LEU A 48 -0.459 7.882 2.072 1.00 1.36 H new ATOM 0 HD21 LEU A 48 0.169 4.907 1.743 1.00 0.83 H new ATOM 0 HD22 LEU A 48 -0.132 5.635 3.340 1.00 0.83 H new ATOM 0 HD23 LEU A 48 -1.087 4.231 2.807 1.00 0.83 H new ATOM 750 N ILE A 49 -3.914 7.336 5.971 1.00 1.22 N ATOM 751 CA ILE A 49 -4.861 8.050 6.808 1.00 1.20 C ATOM 752 C ILE A 49 -4.364 9.459 7.163 1.00 0.96 C ATOM 753 O ILE A 49 -5.171 10.320 7.499 1.00 1.70 O ATOM 754 CB ILE A 49 -5.256 7.217 8.034 1.00 1.76 C ATOM 755 CG1 ILE A 49 -4.064 6.866 8.936 1.00 1.21 C ATOM 756 CG2 ILE A 49 -5.925 5.932 7.536 1.00 3.48 C ATOM 757 CD1 ILE A 49 -3.910 7.833 10.111 1.00 2.48 C ATOM 0 H ILE A 49 -3.592 6.447 6.354 1.00 1.22 H new ATOM 0 HA ILE A 49 -5.774 8.199 6.231 1.00 1.20 H new ATOM 0 HB ILE A 49 -5.935 7.813 8.644 1.00 1.76 H new ATOM 0 HG12 ILE A 49 -4.188 5.853 9.318 1.00 1.21 H new ATOM 0 HG13 ILE A 49 -3.150 6.873 8.343 1.00 1.21 H new ATOM 0 HG21 ILE A 49 -6.217 5.319 8.389 1.00 3.48 H new ATOM 0 HG22 ILE A 49 -6.810 6.185 6.952 1.00 3.48 H new ATOM 0 HG23 ILE A 49 -5.225 5.376 6.912 1.00 3.48 H new ATOM 0 HD11 ILE A 49 -3.052 7.538 10.715 1.00 2.48 H new ATOM 0 HD12 ILE A 49 -3.757 8.844 9.733 1.00 2.48 H new ATOM 0 HD13 ILE A 49 -4.811 7.808 10.724 1.00 2.48 H new ATOM 769 N THR A 50 -3.054 9.723 7.049 1.00 1.55 N ATOM 770 CA THR A 50 -2.477 11.040 7.280 1.00 1.88 C ATOM 771 C THR A 50 -1.645 11.489 6.066 1.00 1.76 C ATOM 772 O THR A 50 -0.740 12.312 6.186 1.00 2.47 O ATOM 773 CB THR A 50 -1.712 11.008 8.617 1.00 2.43 C ATOM 774 OG1 THR A 50 -1.373 12.310 9.041 1.00 2.90 O ATOM 775 CG2 THR A 50 -0.454 10.133 8.586 1.00 4.01 C ATOM 0 H THR A 50 -2.365 9.016 6.791 1.00 1.55 H new ATOM 0 HA THR A 50 -3.249 11.803 7.376 1.00 1.88 H new ATOM 0 HB THR A 50 -2.399 10.554 9.332 1.00 2.43 H new ATOM 0 HG1 THR A 50 -1.047 12.829 8.276 1.00 2.90 H new ATOM 0 HG21 THR A 50 0.032 10.159 9.561 1.00 4.01 H new ATOM 0 HG22 THR A 50 -0.731 9.106 8.346 1.00 4.01 H new ATOM 0 HG23 THR A 50 0.233 10.510 7.828 1.00 4.01 H new ATOM 783 N ASN A 51 -1.930 10.984 4.858 1.00 1.15 N ATOM 784 CA ASN A 51 -1.230 11.430 3.656 1.00 0.98 C ATOM 785 C ASN A 51 -2.091 11.133 2.431 1.00 0.87 C ATOM 786 O ASN A 51 -2.553 10.010 2.271 1.00 1.38 O ATOM 787 CB ASN A 51 0.131 10.717 3.542 1.00 1.07 C ATOM 788 CG ASN A 51 1.274 11.707 3.367 1.00 1.21 C ATOM 789 OD1 ASN A 51 1.982 11.685 2.370 1.00 2.03 O ATOM 790 ND2 ASN A 51 1.475 12.593 4.331 1.00 2.29 N ATOM 0 H ASN A 51 -2.639 10.269 4.692 1.00 1.15 H new ATOM 0 HA ASN A 51 -1.052 12.504 3.716 1.00 0.98 H new ATOM 0 HB2 ASN A 51 0.303 10.117 4.436 1.00 1.07 H new ATOM 0 HB3 ASN A 51 0.112 10.030 2.696 1.00 1.07 H new ATOM 0 HD21 ASN A 51 2.231 13.273 4.249 1.00 2.29 H new ATOM 0 HD22 ASN A 51 0.874 12.595 5.155 1.00 2.29 H new ATOM 797 N LYS A 52 -2.294 12.104 1.537 1.00 0.79 N ATOM 798 CA LYS A 52 -3.184 11.947 0.391 1.00 1.07 C ATOM 799 C LYS A 52 -2.385 12.200 -0.871 1.00 0.96 C ATOM 800 O LYS A 52 -2.849 12.865 -1.790 1.00 1.12 O ATOM 801 CB LYS A 52 -4.391 12.890 0.521 1.00 1.48 C ATOM 802 CG LYS A 52 -5.460 12.257 1.409 1.00 2.00 C ATOM 803 CD LYS A 52 -6.667 13.196 1.536 1.00 2.31 C ATOM 804 CE LYS A 52 -7.903 12.443 2.044 1.00 3.90 C ATOM 805 NZ LYS A 52 -7.900 12.281 3.514 1.00 4.39 N ATOM 0 H LYS A 52 -1.845 13.019 1.590 1.00 0.79 H new ATOM 0 HA LYS A 52 -3.585 10.934 0.349 1.00 1.07 H new ATOM 0 HB2 LYS A 52 -4.074 13.843 0.944 1.00 1.48 H new ATOM 0 HB3 LYS A 52 -4.805 13.101 -0.465 1.00 1.48 H new ATOM 0 HG2 LYS A 52 -5.775 11.303 0.987 1.00 2.00 H new ATOM 0 HG3 LYS A 52 -5.047 12.048 2.396 1.00 2.00 H new ATOM 0 HD2 LYS A 52 -6.427 14.010 2.220 1.00 2.31 H new ATOM 0 HD3 LYS A 52 -6.885 13.646 0.568 1.00 2.31 H new ATOM 0 HE2 LYS A 52 -8.802 12.981 1.742 1.00 3.90 H new ATOM 0 HE3 LYS A 52 -7.946 11.461 1.573 1.00 3.90 H new ATOM 0 HZ1 LYS A 52 -8.755 11.767 3.808 1.00 4.39 H new ATOM 0 HZ2 LYS A 52 -7.057 11.745 3.802 1.00 4.39 H new ATOM 0 HZ3 LYS A 52 -7.886 13.217 3.966 1.00 4.39 H new ATOM 819 N LYS A 53 -1.182 11.637 -0.933 1.00 0.82 N ATOM 820 CA LYS A 53 -0.316 11.798 -2.083 1.00 0.81 C ATOM 821 C LYS A 53 0.435 10.492 -2.309 1.00 0.76 C ATOM 822 O LYS A 53 0.551 9.698 -1.374 1.00 0.95 O ATOM 823 CB LYS A 53 0.645 12.976 -1.867 1.00 0.85 C ATOM 824 CG LYS A 53 1.523 12.787 -0.619 1.00 1.71 C ATOM 825 CD LYS A 53 2.309 14.057 -0.291 1.00 2.30 C ATOM 826 CE LYS A 53 3.444 14.274 -1.297 1.00 3.00 C ATOM 827 NZ LYS A 53 3.662 15.712 -1.572 1.00 3.51 N ATOM 0 H LYS A 53 -0.787 11.061 -0.190 1.00 0.82 H new ATOM 0 HA LYS A 53 -0.905 12.025 -2.972 1.00 0.81 H new ATOM 0 HB2 LYS A 53 1.282 13.088 -2.744 1.00 0.85 H new ATOM 0 HB3 LYS A 53 0.071 13.898 -1.770 1.00 0.85 H new ATOM 0 HG2 LYS A 53 0.896 12.516 0.231 1.00 1.71 H new ATOM 0 HG3 LYS A 53 2.215 11.961 -0.781 1.00 1.71 H new ATOM 0 HD2 LYS A 53 1.639 14.917 -0.302 1.00 2.30 H new ATOM 0 HD3 LYS A 53 2.719 13.985 0.716 1.00 2.30 H new ATOM 0 HE2 LYS A 53 4.363 13.834 -0.910 1.00 3.00 H new ATOM 0 HE3 LYS A 53 3.210 13.757 -2.227 1.00 3.00 H new ATOM 0 HZ1 LYS A 53 4.437 15.821 -2.257 1.00 3.51 H new ATOM 0 HZ2 LYS A 53 2.793 16.126 -1.965 1.00 3.51 H new ATOM 0 HZ3 LYS A 53 3.910 16.201 -0.688 1.00 3.51 H new ATOM 841 N CYS A 54 0.939 10.277 -3.523 1.00 0.83 N ATOM 842 CA CYS A 54 1.734 9.099 -3.838 1.00 0.83 C ATOM 843 C CYS A 54 2.942 9.047 -2.901 1.00 1.32 C ATOM 844 O CYS A 54 3.483 10.090 -2.533 1.00 2.07 O ATOM 845 CB CYS A 54 2.266 9.192 -5.276 1.00 1.34 C ATOM 846 SG CYS A 54 1.700 7.828 -6.407 1.00 2.04 S ATOM 0 H CYS A 54 0.807 10.913 -4.310 1.00 0.83 H new ATOM 0 HA CYS A 54 1.109 8.213 -3.724 1.00 0.83 H new ATOM 0 HB2 CYS A 54 1.959 10.148 -5.701 1.00 1.34 H new ATOM 0 HB3 CYS A 54 3.356 9.191 -5.246 1.00 1.34 H new ATOM 851 N PRO A 55 3.426 7.843 -2.580 1.00 1.94 N ATOM 852 CA PRO A 55 4.621 7.670 -1.784 1.00 2.97 C ATOM 853 C PRO A 55 5.874 8.013 -2.584 1.00 2.89 C ATOM 854 O PRO A 55 6.837 8.504 -2.001 1.00 3.80 O ATOM 855 CB PRO A 55 4.589 6.206 -1.340 1.00 3.85 C ATOM 856 CG PRO A 55 3.846 5.506 -2.477 1.00 3.36 C ATOM 857 CD PRO A 55 2.856 6.562 -2.958 1.00 2.43 C ATOM 0 HA PRO A 55 4.649 8.340 -0.925 1.00 2.97 H new ATOM 0 HB2 PRO A 55 5.594 5.804 -1.209 1.00 3.85 H new ATOM 0 HB3 PRO A 55 4.071 6.086 -0.388 1.00 3.85 H new ATOM 0 HG2 PRO A 55 4.526 5.201 -3.273 1.00 3.36 H new ATOM 0 HG3 PRO A 55 3.337 4.607 -2.130 1.00 3.36 H new ATOM 0 HD2 PRO A 55 2.713 6.501 -4.037 1.00 2.43 H new ATOM 0 HD3 PRO A 55 1.878 6.419 -2.499 1.00 2.43 H new ATOM 865 N ILE A 56 5.900 7.738 -3.894 1.00 2.44 N ATOM 866 CA ILE A 56 7.087 8.010 -4.699 1.00 2.66 C ATOM 867 C ILE A 56 6.696 8.209 -6.174 1.00 2.32 C ATOM 868 O ILE A 56 7.307 7.670 -7.092 1.00 2.98 O ATOM 869 CB ILE A 56 8.129 6.895 -4.439 1.00 3.14 C ATOM 870 CG1 ILE A 56 9.540 7.242 -4.942 1.00 3.21 C ATOM 871 CG2 ILE A 56 7.681 5.527 -4.973 1.00 3.73 C ATOM 872 CD1 ILE A 56 10.169 8.386 -4.139 1.00 4.32 C ATOM 0 H ILE A 56 5.120 7.332 -4.410 1.00 2.44 H new ATOM 0 HA ILE A 56 7.562 8.948 -4.411 1.00 2.66 H new ATOM 0 HB ILE A 56 8.190 6.824 -3.353 1.00 3.14 H new ATOM 0 HG12 ILE A 56 10.176 6.359 -4.875 1.00 3.21 H new ATOM 0 HG13 ILE A 56 9.492 7.521 -5.994 1.00 3.21 H new ATOM 0 HG21 ILE A 56 8.451 4.784 -4.762 1.00 3.73 H new ATOM 0 HG22 ILE A 56 6.751 5.233 -4.487 1.00 3.73 H new ATOM 0 HG23 ILE A 56 7.523 5.591 -6.050 1.00 3.73 H new ATOM 0 HD11 ILE A 56 11.165 8.599 -4.528 1.00 4.32 H new ATOM 0 HD12 ILE A 56 9.547 9.277 -4.227 1.00 4.32 H new ATOM 0 HD13 ILE A 56 10.243 8.097 -3.091 1.00 4.32 H new ATOM 884 N CYS A 57 5.639 8.986 -6.397 1.00 1.89 N ATOM 885 CA CYS A 57 5.097 9.394 -7.679 1.00 1.98 C ATOM 886 C CYS A 57 4.342 10.698 -7.345 1.00 2.08 C ATOM 887 O CYS A 57 4.686 11.375 -6.374 1.00 3.87 O ATOM 888 CB CYS A 57 4.246 8.232 -8.266 1.00 1.74 C ATOM 889 SG CYS A 57 3.309 7.314 -6.997 1.00 1.50 S ATOM 0 H CYS A 57 5.101 9.374 -5.622 1.00 1.89 H new ATOM 0 HA CYS A 57 5.821 9.594 -8.469 1.00 1.98 H new ATOM 0 HB2 CYS A 57 3.550 8.636 -9.001 1.00 1.74 H new ATOM 0 HB3 CYS A 57 4.902 7.541 -8.795 1.00 1.74 H new ATOM 894 N ARG A 58 3.331 11.092 -8.114 1.00 0.99 N ATOM 895 CA ARG A 58 2.600 12.334 -7.865 1.00 0.97 C ATOM 896 C ARG A 58 1.147 12.160 -8.302 1.00 0.95 C ATOM 897 O ARG A 58 0.791 12.462 -9.435 1.00 1.54 O ATOM 898 CB ARG A 58 3.292 13.516 -8.574 1.00 1.23 C ATOM 899 CG ARG A 58 3.132 14.820 -7.781 1.00 1.60 C ATOM 900 CD ARG A 58 3.536 16.018 -8.653 1.00 1.95 C ATOM 901 NE ARG A 58 4.246 17.061 -7.896 1.00 2.37 N ATOM 902 CZ ARG A 58 4.762 18.172 -8.442 1.00 2.97 C ATOM 903 NH1 ARG A 58 5.511 18.999 -7.710 1.00 3.53 N ATOM 904 NH2 ARG A 58 4.534 18.450 -9.726 1.00 3.38 N ATOM 0 H ARG A 58 2.996 10.566 -8.921 1.00 0.99 H new ATOM 0 HA ARG A 58 2.603 12.563 -6.799 1.00 0.97 H new ATOM 0 HB2 ARG A 58 4.352 13.295 -8.702 1.00 1.23 H new ATOM 0 HB3 ARG A 58 2.870 13.641 -9.571 1.00 1.23 H new ATOM 0 HG2 ARG A 58 2.099 14.931 -7.452 1.00 1.60 H new ATOM 0 HG3 ARG A 58 3.750 14.788 -6.884 1.00 1.60 H new ATOM 0 HD2 ARG A 58 4.171 15.671 -9.468 1.00 1.95 H new ATOM 0 HD3 ARG A 58 2.643 16.449 -9.107 1.00 1.95 H new ATOM 0 HE ARG A 58 4.353 16.931 -6.890 1.00 2.37 H new ATOM 0 HH11 ARG A 58 5.694 18.788 -6.729 1.00 3.53 H new ATOM 0 HH12 ARG A 58 5.900 19.842 -8.131 1.00 3.53 H new ATOM 0 HH21 ARG A 58 3.968 17.818 -10.292 1.00 3.38 H new ATOM 0 HH22 ARG A 58 4.926 19.295 -10.142 1.00 3.38 H new ATOM 918 N VAL A 59 0.319 11.644 -7.401 1.00 0.80 N ATOM 919 CA VAL A 59 -1.092 11.375 -7.607 1.00 0.75 C ATOM 920 C VAL A 59 -1.752 11.629 -6.258 1.00 0.70 C ATOM 921 O VAL A 59 -1.191 11.256 -5.225 1.00 0.76 O ATOM 922 CB VAL A 59 -1.281 9.913 -8.063 1.00 0.90 C ATOM 923 CG1 VAL A 59 -2.751 9.483 -8.059 1.00 0.91 C ATOM 924 CG2 VAL A 59 -0.729 9.700 -9.477 1.00 1.46 C ATOM 0 H VAL A 59 0.632 11.391 -6.464 1.00 0.80 H new ATOM 0 HA VAL A 59 -1.532 12.004 -8.381 1.00 0.75 H new ATOM 0 HB VAL A 59 -0.732 9.305 -7.344 1.00 0.90 H new ATOM 0 HG11 VAL A 59 -2.828 8.447 -8.388 1.00 0.91 H new ATOM 0 HG12 VAL A 59 -3.154 9.575 -7.050 1.00 0.91 H new ATOM 0 HG13 VAL A 59 -3.319 10.121 -8.736 1.00 0.91 H new ATOM 0 HG21 VAL A 59 -0.876 8.661 -9.772 1.00 1.46 H new ATOM 0 HG22 VAL A 59 -1.254 10.353 -10.175 1.00 1.46 H new ATOM 0 HG23 VAL A 59 0.335 9.934 -9.491 1.00 1.46 H new ATOM 934 N ASP A 60 -2.914 12.277 -6.250 1.00 0.75 N ATOM 935 CA ASP A 60 -3.721 12.407 -5.050 1.00 0.82 C ATOM 936 C ASP A 60 -4.374 11.053 -4.792 1.00 0.79 C ATOM 937 O ASP A 60 -4.963 10.459 -5.692 1.00 0.77 O ATOM 938 CB ASP A 60 -4.788 13.491 -5.242 1.00 1.00 C ATOM 939 CG ASP A 60 -4.142 14.852 -5.479 1.00 1.54 C ATOM 940 OD1 ASP A 60 -3.804 15.115 -6.656 1.00 2.62 O ATOM 941 OD2 ASP A 60 -3.955 15.587 -4.485 1.00 2.25 O ATOM 0 H ASP A 60 -3.317 12.723 -7.074 1.00 0.75 H new ATOM 0 HA ASP A 60 -3.104 12.700 -4.201 1.00 0.82 H new ATOM 0 HB2 ASP A 60 -5.426 13.234 -6.088 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -5.429 13.536 -4.362 1.00 1.00 H new ATOM 946 N ILE A 61 -4.241 10.526 -3.578 1.00 0.86 N ATOM 947 CA ILE A 61 -4.745 9.203 -3.242 1.00 0.90 C ATOM 948 C ILE A 61 -6.243 9.256 -2.957 1.00 1.00 C ATOM 949 O ILE A 61 -6.931 8.240 -3.035 1.00 1.03 O ATOM 950 CB ILE A 61 -3.954 8.684 -2.036 1.00 0.92 C ATOM 951 CG1 ILE A 61 -2.445 8.755 -2.277 1.00 0.89 C ATOM 952 CG2 ILE A 61 -4.324 7.251 -1.689 1.00 0.97 C ATOM 953 CD1 ILE A 61 -2.049 8.165 -3.618 1.00 0.82 C ATOM 0 H ILE A 61 -3.782 11.005 -2.803 1.00 0.86 H new ATOM 0 HA ILE A 61 -4.610 8.520 -4.080 1.00 0.90 H new ATOM 0 HB ILE A 61 -4.218 9.334 -1.202 1.00 0.92 H new ATOM 0 HG12 ILE A 61 -2.120 9.794 -2.229 1.00 0.89 H new ATOM 0 HG13 ILE A 61 -1.926 8.222 -1.480 1.00 0.89 H new ATOM 0 HG21 ILE A 61 -3.740 6.923 -0.829 1.00 0.97 H new ATOM 0 HG22 ILE A 61 -5.386 7.197 -1.449 1.00 0.97 H new ATOM 0 HG23 ILE A 61 -4.111 6.604 -2.540 1.00 0.97 H new ATOM 0 HD11 ILE A 61 -0.969 8.238 -3.743 1.00 0.82 H new ATOM 0 HD12 ILE A 61 -2.348 7.118 -3.657 1.00 0.82 H new ATOM 0 HD13 ILE A 61 -2.545 8.715 -4.418 1.00 0.82 H new ATOM 965 N GLU A 62 -6.737 10.434 -2.584 1.00 1.15 N ATOM 966 CA GLU A 62 -8.155 10.647 -2.374 1.00 1.35 C ATOM 967 C GLU A 62 -8.883 10.456 -3.702 1.00 1.91 C ATOM 968 O GLU A 62 -8.399 10.884 -4.748 1.00 2.66 O ATOM 969 CB GLU A 62 -8.356 12.041 -1.770 1.00 2.34 C ATOM 970 CG GLU A 62 -9.789 12.285 -1.283 1.00 2.64 C ATOM 971 CD GLU A 62 -10.640 13.035 -2.309 1.00 4.24 C ATOM 972 OE1 GLU A 62 -11.286 12.353 -3.132 1.00 5.11 O ATOM 973 OE2 GLU A 62 -10.642 14.284 -2.230 1.00 5.29 O ATOM 0 H GLU A 62 -6.163 11.261 -2.421 1.00 1.15 H new ATOM 0 HA GLU A 62 -8.574 9.926 -1.672 1.00 1.35 H new ATOM 0 HB2 GLU A 62 -7.668 12.171 -0.935 1.00 2.34 H new ATOM 0 HB3 GLU A 62 -8.099 12.794 -2.515 1.00 2.34 H new ATOM 0 HG2 GLU A 62 -10.259 11.328 -1.056 1.00 2.64 H new ATOM 0 HG3 GLU A 62 -9.761 12.854 -0.354 1.00 2.64 H new ATOM 980 N ALA A 63 -10.021 9.769 -3.659 1.00 2.38 N ATOM 981 CA ALA A 63 -10.875 9.560 -4.804 1.00 3.50 C ATOM 982 C ALA A 63 -12.278 9.308 -4.272 1.00 4.08 C ATOM 983 O ALA A 63 -12.466 9.072 -3.077 1.00 4.24 O ATOM 984 CB ALA A 63 -10.392 8.347 -5.605 1.00 4.23 C ATOM 0 H ALA A 63 -10.375 9.337 -2.805 1.00 2.38 H new ATOM 0 HA ALA A 63 -10.859 10.427 -5.465 1.00 3.50 H new ATOM 0 HB1 ALA A 63 -11.043 8.197 -6.467 1.00 4.23 H new ATOM 0 HB2 ALA A 63 -9.371 8.519 -5.947 1.00 4.23 H new ATOM 0 HB3 ALA A 63 -10.418 7.460 -4.973 1.00 4.23 H new ATOM 990 N GLN A 64 -13.266 9.294 -5.164 1.00 5.18 N ATOM 991 CA GLN A 64 -14.612 8.956 -4.750 1.00 5.96 C ATOM 992 C GLN A 64 -14.651 7.503 -4.270 1.00 6.94 C ATOM 993 O GLN A 64 -13.956 6.662 -4.836 1.00 7.69 O ATOM 994 CB GLN A 64 -15.592 9.238 -5.900 1.00 6.95 C ATOM 995 CG GLN A 64 -15.514 8.245 -7.072 1.00 8.56 C ATOM 996 CD GLN A 64 -16.363 6.991 -6.851 1.00 9.30 C ATOM 997 OE1 GLN A 64 -17.572 7.075 -6.671 1.00 9.29 O ATOM 998 NE2 GLN A 64 -15.758 5.811 -6.865 1.00 10.40 N ATOM 0 H GLN A 64 -13.158 9.509 -6.155 1.00 5.18 H new ATOM 0 HA GLN A 64 -14.923 9.577 -3.910 1.00 5.96 H new ATOM 0 HB2 GLN A 64 -16.607 9.231 -5.503 1.00 6.95 H new ATOM 0 HB3 GLN A 64 -15.405 10.242 -6.280 1.00 6.95 H new ATOM 0 HG2 GLN A 64 -15.842 8.743 -7.985 1.00 8.56 H new ATOM 0 HG3 GLN A 64 -14.475 7.952 -7.224 1.00 8.56 H new ATOM 0 HE21 GLN A 64 -14.751 5.756 -7.016 1.00 10.40 H new ATOM 0 HE22 GLN A 64 -16.300 4.958 -6.725 1.00 10.40 H new ATOM 1007 N LEU A 65 -15.479 7.235 -3.253 1.00 7.42 N ATOM 1008 CA LEU A 65 -15.667 5.943 -2.590 1.00 8.70 C ATOM 1009 C LEU A 65 -14.367 5.126 -2.517 1.00 9.59 C ATOM 1010 O LEU A 65 -14.215 4.123 -3.211 1.00 10.89 O ATOM 1011 CB LEU A 65 -16.818 5.161 -3.253 1.00 10.02 C ATOM 1012 CG LEU A 65 -18.196 5.493 -2.661 1.00 10.74 C ATOM 1013 CD1 LEU A 65 -18.550 6.980 -2.759 1.00 10.30 C ATOM 1014 CD2 LEU A 65 -19.268 4.682 -3.392 1.00 12.57 C ATOM 0 H LEU A 65 -16.071 7.960 -2.848 1.00 7.42 H new ATOM 0 HA LEU A 65 -15.949 6.137 -1.555 1.00 8.70 H new ATOM 0 HB2 LEU A 65 -16.827 5.377 -4.321 1.00 10.02 H new ATOM 0 HB3 LEU A 65 -16.632 4.092 -3.146 1.00 10.02 H new ATOM 0 HG LEU A 65 -18.156 5.236 -1.602 1.00 10.74 H new ATOM 0 HD11 LEU A 65 -19.535 7.149 -2.324 1.00 10.30 H new ATOM 0 HD12 LEU A 65 -17.808 7.567 -2.217 1.00 10.30 H new ATOM 0 HD13 LEU A 65 -18.559 7.284 -3.806 1.00 10.30 H new ATOM 0 HD21 LEU A 65 -20.248 4.915 -2.975 1.00 12.57 H new ATOM 0 HD22 LEU A 65 -19.256 4.935 -4.452 1.00 12.57 H new ATOM 0 HD23 LEU A 65 -19.065 3.618 -3.270 1.00 12.57 H new ATOM 1026 N PRO A 66 -13.429 5.511 -1.642 1.00 9.46 N ATOM 1027 CA PRO A 66 -12.198 4.772 -1.422 1.00 10.85 C ATOM 1028 C PRO A 66 -12.465 3.629 -0.432 1.00 11.83 C ATOM 1029 O PRO A 66 -11.959 3.627 0.688 1.00 11.73 O ATOM 1030 CB PRO A 66 -11.233 5.828 -0.875 1.00 10.76 C ATOM 1031 CG PRO A 66 -12.151 6.724 -0.042 1.00 9.49 C ATOM 1032 CD PRO A 66 -13.459 6.720 -0.836 1.00 8.54 C ATOM 0 HA PRO A 66 -11.788 4.296 -2.313 1.00 10.85 H new ATOM 0 HB2 PRO A 66 -10.445 5.381 -0.269 1.00 10.76 H new ATOM 0 HB3 PRO A 66 -10.744 6.383 -1.676 1.00 10.76 H new ATOM 0 HG2 PRO A 66 -12.290 6.332 0.965 1.00 9.49 H new ATOM 0 HG3 PRO A 66 -11.746 7.731 0.061 1.00 9.49 H new ATOM 0 HD2 PRO A 66 -14.321 6.724 -0.169 1.00 8.54 H new ATOM 0 HD3 PRO A 66 -13.538 7.607 -1.464 1.00 8.54 H new ATOM 1040 N SER A 67 -13.316 2.678 -0.813 1.00 13.13 N ATOM 1041 CA SER A 67 -13.741 1.512 -0.037 1.00 14.46 C ATOM 1042 C SER A 67 -14.816 0.790 -0.859 1.00 16.00 C ATOM 1043 O SER A 67 -15.132 1.237 -1.958 1.00 16.18 O ATOM 1044 CB SER A 67 -14.205 1.892 1.381 1.00 13.71 C ATOM 1045 OG SER A 67 -14.714 3.208 1.447 1.00 13.16 O ATOM 0 H SER A 67 -13.757 2.702 -1.733 1.00 13.13 H new ATOM 0 HA SER A 67 -12.902 0.837 0.134 1.00 14.46 H new ATOM 0 HB2 SER A 67 -14.973 1.192 1.709 1.00 13.71 H new ATOM 0 HB3 SER A 67 -13.368 1.794 2.073 1.00 13.71 H new ATOM 0 HG SER A 67 -14.997 3.404 2.365 1.00 13.16 H new ATOM 1051 N GLU A 68 -15.361 -0.336 -0.391 1.00 17.40 N ATOM 1052 CA GLU A 68 -16.194 -1.185 -1.241 1.00 19.30 C ATOM 1053 C GLU A 68 -17.461 -1.538 -0.470 1.00 19.96 C ATOM 1054 O GLU A 68 -17.880 -2.693 -0.421 1.00 21.26 O ATOM 1055 CB GLU A 68 -15.386 -2.425 -1.653 1.00 20.73 C ATOM 1056 CG GLU A 68 -15.775 -2.919 -3.048 1.00 22.37 C ATOM 1057 CD GLU A 68 -15.063 -2.084 -4.115 1.00 22.64 C ATOM 1058 OE1 GLU A 68 -13.806 -2.090 -4.090 1.00 22.96 O ATOM 1059 OE2 GLU A 68 -15.779 -1.449 -4.919 1.00 22.73 O ATOM 0 H GLU A 68 -15.241 -0.677 0.563 1.00 17.40 H new ATOM 0 HA GLU A 68 -16.490 -0.673 -2.157 1.00 19.30 H new ATOM 0 HB2 GLU A 68 -14.322 -2.188 -1.635 1.00 20.73 H new ATOM 0 HB3 GLU A 68 -15.548 -3.222 -0.927 1.00 20.73 H new ATOM 0 HG2 GLU A 68 -15.508 -3.970 -3.158 1.00 22.37 H new ATOM 0 HG3 GLU A 68 -16.855 -2.849 -3.180 1.00 22.37 H new ATOM 1066 N SER A 69 -18.034 -0.517 0.173 1.00 19.18 N ATOM 1067 CA SER A 69 -18.713 -0.689 1.446 1.00 19.62 C ATOM 1068 C SER A 69 -17.705 -1.225 2.465 1.00 19.79 C ATOM 1069 O SER A 69 -18.192 -1.795 3.468 1.00 20.15 O ATOM 1070 CB SER A 69 -19.962 -1.567 1.285 1.00 20.82 C ATOM 1071 OG SER A 69 -20.741 -1.495 2.459 1.00 20.86 O ATOM 1072 OXT SER A 69 -16.486 -1.020 2.237 1.00 19.74 O ATOM 0 H SER A 69 -18.037 0.441 -0.176 1.00 19.18 H new ATOM 0 HA SER A 69 -19.084 0.265 1.820 1.00 19.62 H new ATOM 0 HB2 SER A 69 -20.546 -1.234 0.427 1.00 20.82 H new ATOM 0 HB3 SER A 69 -19.671 -2.600 1.091 1.00 20.82 H new ATOM 0 HG SER A 69 -20.157 -1.556 3.243 1.00 20.86 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.566 -3.566 6.432 1.00 1.06 ZN HETATM 1080 ZN ZN A 102 2.046 5.598 -7.218 1.00 1.04 ZN