USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -130:sc= -0.221 USER MOD Set 1.2: A 62 THR OG1 : rot -43:sc= 1.19 USER MOD Set 2.1: A 36 MET CE :methyl 179:sc=-0.000182 (180deg=-0.00181) USER MOD Set 2.2: A 51 MET CE :methyl -174:sc= 0 (180deg=-0.0306) USER MOD Set 2.3: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -153:sc= 0.972 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.646 X(o=1.6,f=1.7) USER MOD Single : A 1 ARG N :NH3+ -123:sc= 0.0188 (180deg=-0.0238) USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= 0.736 (180deg=0.427) USER MOD Single : A 10 GLN : amide:sc= 0.959 K(o=0.96,f=-0.054) USER MOD Single : A 21 THR OG1 : rot -16:sc= 1.05 USER MOD Single : A 24 SER OG : rot -56:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0265) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0211 (180deg=-0.149) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0447) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0.66 (180deg=0.579) USER MOD Single : A 53 SER OG : rot 77:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 60 SER OG : rot 66:sc= 1.1 USER MOD Single : A 70 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 71 MET CE :methyl 172:sc= -0.0498 (180deg=-0.174) USER MOD Single : A 72 MET CE :methyl -173:sc= -0.0036 (180deg=-0.0696) USER MOD Single : A 73 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 76 MET CE :methyl -178:sc= -0.0725 (180deg=-0.0865) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.557 19.104 -6.815 1.00 0.00 N ATOM 2 CA ARG A 1 9.772 18.344 -5.568 1.00 0.00 C ATOM 3 C ARG A 1 11.207 17.809 -5.528 1.00 0.00 C ATOM 4 O ARG A 1 11.811 17.600 -6.582 1.00 0.00 O ATOM 5 CB ARG A 1 8.761 17.191 -5.464 1.00 0.00 C ATOM 6 CG ARG A 1 8.523 16.722 -4.019 1.00 0.00 C ATOM 7 CD ARG A 1 8.274 15.213 -3.965 1.00 0.00 C ATOM 8 NE ARG A 1 9.499 14.472 -4.297 1.00 0.00 N ATOM 9 CZ ARG A 1 9.576 13.148 -4.483 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.492 12.375 -4.365 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.760 12.618 -4.793 1.00 0.00 N ATOM 0 H1 ARG A 1 9.249 20.070 -6.584 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.445 19.143 -7.355 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.825 18.635 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 1 9.621 19.007 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.812 17.508 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.117 16.349 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.387 16.974 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.668 17.250 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.931 14.931 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.481 14.945 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 1 10.360 15.010 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.591 12.792 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.566 11.368 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.580 13.218 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.846 11.612 -4.940 1.00 0.00 H new ATOM 25 N VAL A 2 11.750 17.582 -4.327 1.00 0.00 N ATOM 26 CA VAL A 2 13.066 16.983 -4.144 1.00 0.00 C ATOM 27 C VAL A 2 13.195 15.731 -5.022 1.00 0.00 C ATOM 28 O VAL A 2 12.404 14.797 -4.902 1.00 0.00 O ATOM 29 CB VAL A 2 13.352 16.710 -2.654 1.00 0.00 C ATOM 30 CG1 VAL A 2 13.468 18.034 -1.886 1.00 0.00 C ATOM 31 CG2 VAL A 2 12.307 15.822 -1.961 1.00 0.00 C ATOM 0 H VAL A 2 11.281 17.812 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 2 13.832 17.687 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 2 14.293 16.160 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.670 17.828 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.282 18.626 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.534 18.589 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.585 15.681 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.329 16.301 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.264 14.854 -2.459 1.00 0.00 H new ATOM 41 N GLY A 3 14.154 15.756 -5.951 1.00 0.00 N ATOM 42 CA GLY A 3 14.295 14.768 -7.009 1.00 0.00 C ATOM 43 C GLY A 3 14.406 15.486 -8.351 1.00 0.00 C ATOM 44 O GLY A 3 15.273 15.157 -9.162 1.00 0.00 O ATOM 0 H GLY A 3 14.868 16.484 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.180 14.155 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.437 14.095 -7.012 1.00 0.00 H new ATOM 48 N LEU A 4 13.554 16.492 -8.578 1.00 0.00 N ATOM 49 CA LEU A 4 13.586 17.300 -9.789 1.00 0.00 C ATOM 50 C LEU A 4 14.749 18.289 -9.721 1.00 0.00 C ATOM 51 O LEU A 4 14.585 19.435 -9.307 1.00 0.00 O ATOM 52 CB LEU A 4 12.247 18.018 -10.002 1.00 0.00 C ATOM 53 CG LEU A 4 11.042 17.071 -10.126 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.817 17.905 -10.510 1.00 0.00 C ATOM 55 CD2 LEU A 4 11.245 15.979 -11.184 1.00 0.00 C ATOM 0 H LEU A 4 12.823 16.765 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 4 13.742 16.647 -10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.076 18.700 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.312 18.626 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 4 10.913 16.570 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.948 17.254 -10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.629 18.652 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.001 18.404 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.361 15.343 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.404 16.441 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.114 15.376 -10.922 1.00 0.00 H new ATOM 67 N THR A 5 15.934 17.844 -10.136 1.00 0.00 N ATOM 68 CA THR A 5 17.123 18.675 -10.211 1.00 0.00 C ATOM 69 C THR A 5 16.938 19.787 -11.248 1.00 0.00 C ATOM 70 O THR A 5 16.086 19.698 -12.134 1.00 0.00 O ATOM 71 CB THR A 5 18.332 17.797 -10.572 1.00 0.00 C ATOM 72 OG1 THR A 5 18.093 17.089 -11.775 1.00 0.00 O ATOM 73 CG2 THR A 5 18.643 16.791 -9.460 1.00 0.00 C ATOM 0 H THR A 5 16.092 16.881 -10.433 1.00 0.00 H new ATOM 0 HA THR A 5 17.295 19.145 -9.243 1.00 0.00 H new ATOM 0 HB THR A 5 19.186 18.462 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.618 16.261 -11.777 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.503 16.186 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.867 17.326 -8.537 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.780 16.144 -9.303 1.00 0.00 H new ATOM 81 N GLU A 6 17.768 20.831 -11.166 1.00 0.00 N ATOM 82 CA GLU A 6 17.764 21.953 -12.098 1.00 0.00 C ATOM 83 C GLU A 6 17.759 21.471 -13.550 1.00 0.00 C ATOM 84 O GLU A 6 17.036 22.020 -14.378 1.00 0.00 O ATOM 85 CB GLU A 6 18.962 22.873 -11.817 1.00 0.00 C ATOM 86 CG GLU A 6 18.722 23.810 -10.620 1.00 0.00 C ATOM 87 CD GLU A 6 18.367 23.084 -9.324 1.00 0.00 C ATOM 88 OE1 GLU A 6 19.042 22.071 -9.035 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.407 23.540 -8.664 1.00 0.00 O ATOM 0 H GLU A 6 18.474 20.918 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 6 16.848 22.524 -11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.846 22.264 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.173 23.470 -12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.618 24.409 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.917 24.502 -10.869 1.00 0.00 H new ATOM 96 N GLU A 7 18.541 20.431 -13.850 1.00 0.00 N ATOM 97 CA GLU A 7 18.560 19.777 -15.150 1.00 0.00 C ATOM 98 C GLU A 7 17.139 19.370 -15.557 1.00 0.00 C ATOM 99 O GLU A 7 16.662 19.738 -16.628 1.00 0.00 O ATOM 100 CB GLU A 7 19.488 18.552 -15.107 1.00 0.00 C ATOM 101 CG GLU A 7 20.981 18.910 -14.982 1.00 0.00 C ATOM 102 CD GLU A 7 21.384 19.502 -13.631 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.691 19.187 -12.637 1.00 0.00 O ATOM 104 OE2 GLU A 7 22.368 20.271 -13.618 1.00 0.00 O ATOM 0 H GLU A 7 19.189 20.016 -13.180 1.00 0.00 H new ATOM 0 HA GLU A 7 18.942 20.474 -15.896 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.203 17.921 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.339 17.963 -16.012 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.572 18.012 -15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.237 19.622 -15.767 1.00 0.00 H new ATOM 111 N GLN A 8 16.450 18.631 -14.686 1.00 0.00 N ATOM 112 CA GLN A 8 15.084 18.205 -14.947 1.00 0.00 C ATOM 113 C GLN A 8 14.164 19.417 -15.097 1.00 0.00 C ATOM 114 O GLN A 8 13.320 19.429 -15.989 1.00 0.00 O ATOM 115 CB GLN A 8 14.612 17.234 -13.861 1.00 0.00 C ATOM 116 CG GLN A 8 15.342 15.892 -13.995 1.00 0.00 C ATOM 117 CD GLN A 8 15.132 15.045 -12.748 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.158 14.310 -12.641 1.00 0.00 O ATOM 119 NE2 GLN A 8 16.030 15.180 -11.779 1.00 0.00 N ATOM 0 H GLN A 8 16.823 18.316 -13.790 1.00 0.00 H new ATOM 0 HA GLN A 8 15.049 17.665 -15.893 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.799 17.661 -12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.536 17.081 -13.943 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.975 15.357 -14.871 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.407 16.064 -14.150 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.828 15.802 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.922 14.661 -10.907 1.00 0.00 H new ATOM 128 N LYS A 9 14.339 20.458 -14.274 1.00 0.00 N ATOM 129 CA LYS A 9 13.591 21.700 -14.463 1.00 0.00 C ATOM 130 C LYS A 9 13.800 22.245 -15.885 1.00 0.00 C ATOM 131 O LYS A 9 12.827 22.601 -16.554 1.00 0.00 O ATOM 132 CB LYS A 9 13.944 22.752 -13.400 1.00 0.00 C ATOM 133 CG LYS A 9 13.687 22.266 -11.968 1.00 0.00 C ATOM 134 CD LYS A 9 14.054 23.365 -10.962 1.00 0.00 C ATOM 135 CE LYS A 9 14.013 22.810 -9.534 1.00 0.00 C ATOM 136 NZ LYS A 9 14.462 23.810 -8.550 1.00 0.00 N ATOM 0 H LYS A 9 14.983 20.464 -13.483 1.00 0.00 H new ATOM 0 HA LYS A 9 12.533 21.471 -14.337 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.994 23.026 -13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.360 23.654 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.638 21.992 -11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.275 21.370 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.049 23.751 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.360 24.200 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.998 22.494 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.646 21.925 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.073 23.576 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.501 23.808 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.130 24.753 -8.837 1.00 0.00 H new ATOM 150 N GLN A 10 15.050 22.282 -16.366 1.00 0.00 N ATOM 151 CA GLN A 10 15.325 22.724 -17.729 1.00 0.00 C ATOM 152 C GLN A 10 14.570 21.837 -18.719 1.00 0.00 C ATOM 153 O GLN A 10 13.856 22.351 -19.572 1.00 0.00 O ATOM 154 CB GLN A 10 16.825 22.751 -18.077 1.00 0.00 C ATOM 155 CG GLN A 10 17.744 23.548 -17.139 1.00 0.00 C ATOM 156 CD GLN A 10 17.082 24.779 -16.526 1.00 0.00 C ATOM 157 OE1 GLN A 10 16.959 25.814 -17.173 1.00 0.00 O ATOM 158 NE2 GLN A 10 16.652 24.677 -15.272 1.00 0.00 N ATOM 0 H GLN A 10 15.877 22.013 -15.833 1.00 0.00 H new ATOM 0 HA GLN A 10 14.978 23.755 -17.801 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.184 21.722 -18.109 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.932 23.158 -19.083 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.085 22.893 -16.337 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.629 23.861 -17.693 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.770 23.802 -14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.204 25.474 -14.820 1.00 0.00 H new ATOM 167 N GLU A 11 14.699 20.514 -18.593 1.00 0.00 N ATOM 168 CA GLU A 11 14.019 19.571 -19.477 1.00 0.00 C ATOM 169 C GLU A 11 12.506 19.838 -19.518 1.00 0.00 C ATOM 170 O GLU A 11 11.913 19.919 -20.594 1.00 0.00 O ATOM 171 CB GLU A 11 14.325 18.131 -19.042 1.00 0.00 C ATOM 172 CG GLU A 11 15.808 17.782 -19.237 1.00 0.00 C ATOM 173 CD GLU A 11 16.171 16.479 -18.531 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.688 15.427 -19.003 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.914 16.558 -17.527 1.00 0.00 O ATOM 0 H GLU A 11 15.276 20.070 -17.878 1.00 0.00 H new ATOM 0 HA GLU A 11 14.395 19.711 -20.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.056 18.002 -17.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.710 17.439 -19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.026 17.694 -20.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.428 18.591 -18.851 1.00 0.00 H new ATOM 182 N ILE A 12 11.878 19.990 -18.349 1.00 0.00 N ATOM 183 CA ILE A 12 10.458 20.304 -18.241 1.00 0.00 C ATOM 184 C ILE A 12 10.162 21.616 -18.977 1.00 0.00 C ATOM 185 O ILE A 12 9.206 21.686 -19.749 1.00 0.00 O ATOM 186 CB ILE A 12 10.027 20.320 -16.758 1.00 0.00 C ATOM 187 CG1 ILE A 12 10.120 18.895 -16.175 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.588 20.834 -16.591 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.045 18.867 -14.645 1.00 0.00 C ATOM 0 H ILE A 12 12.347 19.897 -17.448 1.00 0.00 H new ATOM 0 HA ILE A 12 9.861 19.530 -18.724 1.00 0.00 H new ATOM 0 HB ILE A 12 10.698 20.994 -16.226 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.312 18.288 -16.584 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.056 18.438 -16.496 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.321 20.831 -15.534 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.517 21.850 -16.980 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.904 20.187 -17.140 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.116 17.837 -14.296 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.868 19.448 -14.230 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.097 19.296 -14.319 1.00 0.00 H new ATOM 201 N ARG A 13 10.974 22.655 -18.763 1.00 0.00 N ATOM 202 CA ARG A 13 10.780 23.923 -19.455 1.00 0.00 C ATOM 203 C ARG A 13 10.909 23.757 -20.977 1.00 0.00 C ATOM 204 O ARG A 13 10.082 24.273 -21.725 1.00 0.00 O ATOM 205 CB ARG A 13 11.716 25.000 -18.883 1.00 0.00 C ATOM 206 CG ARG A 13 11.522 26.374 -19.543 1.00 0.00 C ATOM 207 CD ARG A 13 10.183 27.038 -19.181 1.00 0.00 C ATOM 208 NE ARG A 13 9.743 27.958 -20.237 1.00 0.00 N ATOM 209 CZ ARG A 13 8.755 28.856 -20.108 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.164 29.051 -18.923 1.00 0.00 N ATOM 211 NH2 ARG A 13 8.351 29.541 -21.182 1.00 0.00 N ATOM 0 H ARG A 13 11.766 22.640 -18.120 1.00 0.00 H new ATOM 0 HA ARG A 13 9.761 24.265 -19.278 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.544 25.091 -17.810 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.750 24.682 -19.015 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.338 27.032 -19.244 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.583 26.261 -20.625 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.425 26.271 -19.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.286 27.581 -18.242 1.00 0.00 H new ATOM 0 HE ARG A 13 10.224 27.911 -21.135 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.464 28.515 -18.109 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.413 29.736 -18.834 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.793 29.378 -22.087 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.601 30.227 -21.097 1.00 0.00 H new ATOM 225 N GLU A 14 11.919 23.023 -21.448 1.00 0.00 N ATOM 226 CA GLU A 14 12.096 22.735 -22.865 1.00 0.00 C ATOM 227 C GLU A 14 10.844 22.053 -23.421 1.00 0.00 C ATOM 228 O GLU A 14 10.298 22.495 -24.431 1.00 0.00 O ATOM 229 CB GLU A 14 13.348 21.873 -23.078 1.00 0.00 C ATOM 230 CG GLU A 14 14.633 22.662 -22.789 1.00 0.00 C ATOM 231 CD GLU A 14 15.849 21.742 -22.747 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.186 21.202 -23.823 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.410 21.584 -21.640 1.00 0.00 O ATOM 0 H GLU A 14 12.637 22.612 -20.852 1.00 0.00 H new ATOM 0 HA GLU A 14 12.239 23.669 -23.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.303 20.999 -22.429 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.368 21.507 -24.104 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.776 23.423 -23.556 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.536 23.184 -21.837 1.00 0.00 H new ATOM 240 N ALA A 15 10.371 20.997 -22.751 1.00 0.00 N ATOM 241 CA ALA A 15 9.145 20.311 -23.137 1.00 0.00 C ATOM 242 C ALA A 15 7.977 21.299 -23.215 1.00 0.00 C ATOM 243 O ALA A 15 7.274 21.354 -24.220 1.00 0.00 O ATOM 244 CB ALA A 15 8.849 19.169 -22.160 1.00 0.00 C ATOM 0 H ALA A 15 10.828 20.599 -21.931 1.00 0.00 H new ATOM 0 HA ALA A 15 9.278 19.880 -24.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.931 18.664 -22.459 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.675 18.458 -22.171 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.731 19.572 -21.154 1.00 0.00 H new ATOM 250 N PHE A 16 7.790 22.101 -22.162 1.00 0.00 N ATOM 251 CA PHE A 16 6.762 23.131 -22.110 1.00 0.00 C ATOM 252 C PHE A 16 6.822 24.032 -23.347 1.00 0.00 C ATOM 253 O PHE A 16 5.844 24.146 -24.085 1.00 0.00 O ATOM 254 CB PHE A 16 6.904 23.938 -20.812 1.00 0.00 C ATOM 255 CG PHE A 16 5.925 25.082 -20.661 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.643 24.845 -20.140 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.316 26.394 -20.991 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.758 25.914 -19.926 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.433 27.465 -20.769 1.00 0.00 C ATOM 260 CZ PHE A 16 4.170 27.227 -20.206 1.00 0.00 C ATOM 0 H PHE A 16 8.357 22.048 -21.316 1.00 0.00 H new ATOM 0 HA PHE A 16 5.781 22.655 -22.113 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.783 23.262 -19.966 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.917 24.337 -20.759 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.336 23.837 -19.903 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.293 26.577 -21.414 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.764 25.727 -19.547 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.727 28.471 -21.032 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.513 28.056 -19.987 1.00 0.00 H new ATOM 270 N ASP A 17 7.979 24.660 -23.575 1.00 0.00 N ATOM 271 CA ASP A 17 8.188 25.561 -24.701 1.00 0.00 C ATOM 272 C ASP A 17 7.896 24.851 -26.021 1.00 0.00 C ATOM 273 O ASP A 17 7.198 25.400 -26.868 1.00 0.00 O ATOM 274 CB ASP A 17 9.617 26.127 -24.691 1.00 0.00 C ATOM 275 CG ASP A 17 9.847 27.157 -23.586 1.00 0.00 C ATOM 276 OD1 ASP A 17 8.992 28.060 -23.451 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.889 27.049 -22.906 1.00 0.00 O ATOM 0 H ASP A 17 8.799 24.554 -22.977 1.00 0.00 H new ATOM 0 HA ASP A 17 7.494 26.395 -24.602 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.325 25.307 -24.568 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.826 26.587 -25.657 1.00 0.00 H new ATOM 282 N LEU A 18 8.420 23.636 -26.204 1.00 0.00 N ATOM 283 CA LEU A 18 8.176 22.852 -27.406 1.00 0.00 C ATOM 284 C LEU A 18 6.676 22.666 -27.620 1.00 0.00 C ATOM 285 O LEU A 18 6.169 22.946 -28.702 1.00 0.00 O ATOM 286 CB LEU A 18 8.915 21.509 -27.332 1.00 0.00 C ATOM 287 CG LEU A 18 8.674 20.637 -28.580 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.944 19.855 -28.921 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.536 19.624 -28.382 1.00 0.00 C ATOM 0 H LEU A 18 9.022 23.174 -25.523 1.00 0.00 H new ATOM 0 HA LEU A 18 8.568 23.391 -28.269 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.984 21.691 -27.220 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.589 20.966 -26.444 1.00 0.00 H new ATOM 0 HG LEU A 18 8.397 21.318 -29.385 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.767 19.241 -29.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.758 20.552 -29.121 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.213 19.214 -28.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.409 19.037 -29.291 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.780 18.960 -27.552 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.610 20.155 -28.162 1.00 0.00 H new ATOM 301 N PHE A 19 5.967 22.177 -26.599 1.00 0.00 N ATOM 302 CA PHE A 19 4.536 21.950 -26.706 1.00 0.00 C ATOM 303 C PHE A 19 3.809 23.256 -27.014 1.00 0.00 C ATOM 304 O PHE A 19 2.902 23.268 -27.845 1.00 0.00 O ATOM 305 CB PHE A 19 3.991 21.291 -25.434 1.00 0.00 C ATOM 306 CG PHE A 19 4.515 19.898 -25.124 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.657 18.938 -26.147 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.718 19.513 -23.785 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.068 17.630 -25.843 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.078 18.189 -23.476 1.00 0.00 C ATOM 311 CZ PHE A 19 5.290 17.256 -24.506 1.00 0.00 C ATOM 0 H PHE A 19 6.366 21.933 -25.693 1.00 0.00 H new ATOM 0 HA PHE A 19 4.356 21.264 -27.533 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.218 21.939 -24.588 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.905 21.239 -25.513 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.448 19.210 -27.171 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.597 20.237 -22.993 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.214 16.912 -26.636 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.192 17.888 -22.445 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.622 16.256 -24.271 1.00 0.00 H new ATOM 321 N ASP A 20 4.216 24.362 -26.390 1.00 0.00 N ATOM 322 CA ASP A 20 3.732 25.688 -26.744 1.00 0.00 C ATOM 323 C ASP A 20 4.326 26.146 -28.087 1.00 0.00 C ATOM 324 O ASP A 20 4.960 27.196 -28.172 1.00 0.00 O ATOM 325 CB ASP A 20 4.035 26.666 -25.603 1.00 0.00 C ATOM 326 CG ASP A 20 3.517 28.074 -25.876 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.640 28.231 -26.756 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.025 28.994 -25.198 1.00 0.00 O ATOM 0 H ASP A 20 4.891 24.359 -25.625 1.00 0.00 H new ATOM 0 HA ASP A 20 2.651 25.659 -26.879 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.588 26.292 -24.682 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.112 26.705 -25.441 1.00 0.00 H new ATOM 333 N THR A 21 4.062 25.389 -29.156 1.00 0.00 N ATOM 334 CA THR A 21 4.468 25.705 -30.518 1.00 0.00 C ATOM 335 C THR A 21 4.045 27.125 -30.909 1.00 0.00 C ATOM 336 O THR A 21 4.783 27.828 -31.594 1.00 0.00 O ATOM 337 CB THR A 21 3.884 24.662 -31.485 1.00 0.00 C ATOM 338 OG1 THR A 21 2.473 24.589 -31.384 1.00 0.00 O ATOM 339 CG2 THR A 21 4.458 23.263 -31.242 1.00 0.00 C ATOM 0 H THR A 21 3.543 24.513 -29.089 1.00 0.00 H new ATOM 0 HA THR A 21 5.556 25.669 -30.578 1.00 0.00 H new ATOM 0 HB THR A 21 4.165 24.995 -32.484 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.182 25.023 -30.555 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.016 22.561 -31.949 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.539 23.284 -31.380 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.228 22.947 -30.224 1.00 0.00 H new ATOM 347 N ASP A 22 2.857 27.548 -30.465 1.00 0.00 N ATOM 348 CA ASP A 22 2.326 28.876 -30.745 1.00 0.00 C ATOM 349 C ASP A 22 3.154 29.984 -30.082 1.00 0.00 C ATOM 350 O ASP A 22 3.100 31.132 -30.516 1.00 0.00 O ATOM 351 CB ASP A 22 0.868 28.936 -30.278 1.00 0.00 C ATOM 352 CG ASP A 22 0.227 30.282 -30.606 1.00 0.00 C ATOM 353 OD1 ASP A 22 -0.164 30.449 -31.781 1.00 0.00 O ATOM 354 OD2 ASP A 22 0.130 31.116 -29.679 1.00 0.00 O ATOM 0 H ASP A 22 2.236 26.971 -29.898 1.00 0.00 H new ATOM 0 HA ASP A 22 2.381 29.049 -31.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.300 28.136 -30.754 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.822 28.763 -29.203 1.00 0.00 H new ATOM 359 N GLY A 23 3.902 29.665 -29.022 1.00 0.00 N ATOM 360 CA GLY A 23 4.648 30.646 -28.253 1.00 0.00 C ATOM 361 C GLY A 23 3.720 31.575 -27.469 1.00 0.00 C ATOM 362 O GLY A 23 4.041 32.742 -27.265 1.00 0.00 O ATOM 0 H GLY A 23 4.003 28.710 -28.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.318 30.134 -27.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.272 31.236 -28.924 1.00 0.00 H new ATOM 366 N SER A 24 2.583 31.060 -26.986 1.00 0.00 N ATOM 367 CA SER A 24 1.642 31.825 -26.179 1.00 0.00 C ATOM 368 C SER A 24 2.223 32.191 -24.807 1.00 0.00 C ATOM 369 O SER A 24 1.709 33.082 -24.137 1.00 0.00 O ATOM 370 CB SER A 24 0.359 31.005 -25.989 1.00 0.00 C ATOM 371 OG SER A 24 0.073 30.243 -27.145 1.00 0.00 O ATOM 0 H SER A 24 2.294 30.095 -27.148 1.00 0.00 H new ATOM 0 HA SER A 24 1.428 32.755 -26.705 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.469 30.343 -25.130 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.475 31.672 -25.772 1.00 0.00 H new ATOM 0 HG SER A 24 0.011 30.838 -27.922 1.00 0.00 H new ATOM 377 N GLY A 25 3.254 31.462 -24.370 1.00 0.00 N ATOM 378 CA GLY A 25 3.796 31.506 -23.020 1.00 0.00 C ATOM 379 C GLY A 25 3.097 30.471 -22.130 1.00 0.00 C ATOM 380 O GLY A 25 3.398 30.377 -20.941 1.00 0.00 O ATOM 0 H GLY A 25 3.748 30.803 -24.972 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.868 31.309 -23.045 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.665 32.504 -22.601 1.00 0.00 H new ATOM 384 N THR A 26 2.162 29.705 -22.700 1.00 0.00 N ATOM 385 CA THR A 26 1.260 28.780 -22.041 1.00 0.00 C ATOM 386 C THR A 26 0.930 27.689 -23.066 1.00 0.00 C ATOM 387 O THR A 26 0.960 27.963 -24.265 1.00 0.00 O ATOM 388 CB THR A 26 0.019 29.534 -21.540 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.688 30.116 -22.613 1.00 0.00 O ATOM 390 CG2 THR A 26 0.340 30.667 -20.561 1.00 0.00 C ATOM 0 H THR A 26 2.012 29.723 -23.709 1.00 0.00 H new ATOM 0 HA THR A 26 1.704 28.319 -21.159 1.00 0.00 H new ATOM 0 HB THR A 26 -0.573 28.776 -21.027 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.868 31.058 -22.413 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.585 31.153 -20.251 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.847 30.259 -19.686 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.987 31.396 -21.048 1.00 0.00 H new ATOM 398 N ILE A 27 0.665 26.452 -22.633 1.00 0.00 N ATOM 399 CA ILE A 27 0.315 25.371 -23.556 1.00 0.00 C ATOM 400 C ILE A 27 -1.194 25.427 -23.785 1.00 0.00 C ATOM 401 O ILE A 27 -1.944 25.207 -22.838 1.00 0.00 O ATOM 402 CB ILE A 27 0.724 23.996 -23.002 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.233 23.949 -22.736 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.341 22.891 -24.002 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.618 22.621 -22.089 1.00 0.00 C ATOM 0 H ILE A 27 0.687 26.176 -21.651 1.00 0.00 H new ATOM 0 HA ILE A 27 0.854 25.504 -24.494 1.00 0.00 H new ATOM 0 HB ILE A 27 0.197 23.833 -22.062 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.778 24.077 -23.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.520 24.775 -22.085 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.634 21.920 -23.602 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.737 22.906 -24.165 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.854 23.063 -24.948 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.692 22.603 -21.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.087 22.510 -21.143 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.349 21.801 -22.755 1.00 0.00 H new ATOM 417 N ASP A 28 -1.659 25.699 -25.006 1.00 0.00 N ATOM 418 CA ASP A 28 -3.089 25.648 -25.298 1.00 0.00 C ATOM 419 C ASP A 28 -3.619 24.220 -25.152 1.00 0.00 C ATOM 420 O ASP A 28 -2.911 23.274 -25.488 1.00 0.00 O ATOM 421 CB ASP A 28 -3.362 26.195 -26.704 1.00 0.00 C ATOM 422 CG ASP A 28 -4.856 26.209 -27.007 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.349 25.168 -27.494 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.485 27.251 -26.724 1.00 0.00 O ATOM 0 H ASP A 28 -1.071 25.954 -25.800 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.615 26.275 -24.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.961 27.205 -26.789 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.844 25.583 -27.443 1.00 0.00 H new ATOM 429 N ALA A 29 -4.867 24.058 -24.698 1.00 0.00 N ATOM 430 CA ALA A 29 -5.554 22.767 -24.640 1.00 0.00 C ATOM 431 C ALA A 29 -5.237 21.861 -25.842 1.00 0.00 C ATOM 432 O ALA A 29 -4.862 20.702 -25.666 1.00 0.00 O ATOM 433 CB ALA A 29 -7.062 23.011 -24.530 1.00 0.00 C ATOM 0 H ALA A 29 -5.435 24.833 -24.356 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.191 22.236 -23.760 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.583 22.055 -24.486 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.273 23.581 -23.625 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.404 23.571 -25.400 1.00 0.00 H new ATOM 439 N LYS A 30 -5.360 22.396 -27.062 1.00 0.00 N ATOM 440 CA LYS A 30 -5.044 21.683 -28.293 1.00 0.00 C ATOM 441 C LYS A 30 -3.615 21.130 -28.246 1.00 0.00 C ATOM 442 O LYS A 30 -3.386 19.936 -28.447 1.00 0.00 O ATOM 443 CB LYS A 30 -5.246 22.631 -29.486 1.00 0.00 C ATOM 444 CG LYS A 30 -5.102 21.918 -30.837 1.00 0.00 C ATOM 445 CD LYS A 30 -5.310 22.925 -31.977 1.00 0.00 C ATOM 446 CE LYS A 30 -5.103 22.283 -33.355 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.113 21.249 -33.641 1.00 0.00 N ATOM 0 H LYS A 30 -5.687 23.350 -27.218 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.713 20.830 -28.407 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.235 23.084 -29.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.520 23.442 -29.428 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.115 21.463 -30.916 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.831 21.112 -30.913 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.317 23.338 -31.917 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.616 23.757 -31.857 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.146 23.054 -34.124 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.108 21.841 -33.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.978 20.889 -34.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.011 20.467 -32.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.064 21.660 -33.555 1.00 0.00 H new ATOM 461 N GLU A 31 -2.654 22.013 -27.969 1.00 0.00 N ATOM 462 CA GLU A 31 -1.250 21.664 -27.857 1.00 0.00 C ATOM 463 C GLU A 31 -1.047 20.609 -26.764 1.00 0.00 C ATOM 464 O GLU A 31 -0.223 19.713 -26.919 1.00 0.00 O ATOM 465 CB GLU A 31 -0.417 22.920 -27.573 1.00 0.00 C ATOM 466 CG GLU A 31 -0.458 23.938 -28.723 1.00 0.00 C ATOM 467 CD GLU A 31 0.306 25.214 -28.372 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.005 25.779 -27.299 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.179 25.605 -29.178 1.00 0.00 O ATOM 0 H GLU A 31 -2.840 23.004 -27.815 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.914 21.237 -28.802 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.783 23.394 -26.662 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.617 22.630 -27.388 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.029 23.492 -29.620 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.494 24.185 -28.954 1.00 0.00 H new ATOM 476 N LEU A 32 -1.792 20.699 -25.659 1.00 0.00 N ATOM 477 CA LEU A 32 -1.676 19.726 -24.585 1.00 0.00 C ATOM 478 C LEU A 32 -2.173 18.350 -25.039 1.00 0.00 C ATOM 479 O LEU A 32 -1.499 17.349 -24.802 1.00 0.00 O ATOM 480 CB LEU A 32 -2.389 20.205 -23.315 1.00 0.00 C ATOM 481 CG LEU A 32 -1.871 19.446 -22.077 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.530 20.007 -21.577 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.915 19.511 -20.960 1.00 0.00 C ATOM 0 H LEU A 32 -2.478 21.435 -25.491 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.620 19.625 -24.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.229 21.275 -23.184 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.464 20.054 -23.417 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.703 18.409 -22.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.202 19.443 -20.704 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.217 19.921 -22.366 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.653 21.056 -21.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.547 18.974 -20.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.100 20.552 -20.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.843 19.054 -21.302 1.00 0.00 H new ATOM 495 N LYS A 33 -3.337 18.259 -25.696 1.00 0.00 N ATOM 496 CA LYS A 33 -3.765 16.955 -26.196 1.00 0.00 C ATOM 497 C LYS A 33 -2.796 16.414 -27.259 1.00 0.00 C ATOM 498 O LYS A 33 -2.522 15.215 -27.279 1.00 0.00 O ATOM 499 CB LYS A 33 -5.250 16.873 -26.557 1.00 0.00 C ATOM 500 CG LYS A 33 -5.617 17.804 -27.695 1.00 0.00 C ATOM 501 CD LYS A 33 -7.042 17.508 -28.182 1.00 0.00 C ATOM 502 CE LYS A 33 -7.474 18.428 -29.330 1.00 0.00 C ATOM 503 NZ LYS A 33 -6.565 18.332 -30.486 1.00 0.00 N ATOM 0 H LYS A 33 -3.970 19.036 -25.886 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.698 16.259 -25.360 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.498 15.848 -26.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.849 17.120 -25.681 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.546 18.840 -27.364 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.911 17.682 -28.517 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.102 16.470 -28.510 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.737 17.620 -27.350 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.486 18.168 -29.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.504 19.459 -28.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.980 18.834 -31.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.649 18.762 -30.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.423 17.332 -30.734 1.00 0.00 H new ATOM 517 N VAL A 34 -2.229 17.286 -28.104 1.00 0.00 N ATOM 518 CA VAL A 34 -1.142 16.893 -29.000 1.00 0.00 C ATOM 519 C VAL A 34 0.037 16.325 -28.198 1.00 0.00 C ATOM 520 O VAL A 34 0.554 15.259 -28.526 1.00 0.00 O ATOM 521 CB VAL A 34 -0.725 18.071 -29.901 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.615 17.816 -30.608 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.806 18.331 -30.959 1.00 0.00 C ATOM 0 H VAL A 34 -2.507 18.264 -28.183 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.496 16.099 -29.658 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.607 18.941 -29.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.867 18.674 -31.231 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.397 17.667 -29.863 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.534 16.926 -31.232 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.503 19.165 -31.591 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.937 17.439 -31.572 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.747 18.573 -30.466 1.00 0.00 H new ATOM 533 N ALA A 35 0.468 17.022 -27.143 1.00 0.00 N ATOM 534 CA ALA A 35 1.536 16.555 -26.270 1.00 0.00 C ATOM 535 C ALA A 35 1.214 15.153 -25.754 1.00 0.00 C ATOM 536 O ALA A 35 2.028 14.240 -25.861 1.00 0.00 O ATOM 537 CB ALA A 35 1.746 17.536 -25.112 1.00 0.00 C ATOM 0 H ALA A 35 0.082 17.927 -26.874 1.00 0.00 H new ATOM 0 HA ALA A 35 2.465 16.505 -26.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.547 17.173 -24.468 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.014 18.515 -25.509 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.826 17.619 -24.534 1.00 0.00 H new ATOM 543 N MET A 36 0.009 14.974 -25.215 1.00 0.00 N ATOM 544 CA MET A 36 -0.450 13.680 -24.740 1.00 0.00 C ATOM 545 C MET A 36 -0.404 12.620 -25.849 1.00 0.00 C ATOM 546 O MET A 36 0.100 11.522 -25.611 1.00 0.00 O ATOM 547 CB MET A 36 -1.820 13.829 -24.063 1.00 0.00 C ATOM 548 CG MET A 36 -1.617 13.951 -22.546 1.00 0.00 C ATOM 549 SD MET A 36 -3.120 14.113 -21.559 1.00 0.00 S ATOM 550 CE MET A 36 -3.560 15.822 -21.934 1.00 0.00 C ATOM 0 H MET A 36 -0.672 15.724 -25.098 1.00 0.00 H new ATOM 0 HA MET A 36 0.234 13.308 -23.978 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.335 14.710 -24.446 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.448 12.968 -24.291 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.072 13.073 -22.200 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.983 14.817 -22.352 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.483 16.082 -21.415 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.759 16.484 -21.605 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.704 15.933 -23.009 1.00 0.00 H new ATOM 560 N ARG A 37 -0.882 12.930 -27.058 1.00 0.00 N ATOM 561 CA ARG A 37 -0.742 12.022 -28.196 1.00 0.00 C ATOM 562 C ARG A 37 0.725 11.638 -28.397 1.00 0.00 C ATOM 563 O ARG A 37 1.045 10.454 -28.476 1.00 0.00 O ATOM 564 CB ARG A 37 -1.319 12.635 -29.483 1.00 0.00 C ATOM 565 CG ARG A 37 -2.848 12.776 -29.478 1.00 0.00 C ATOM 566 CD ARG A 37 -3.540 11.606 -30.193 1.00 0.00 C ATOM 567 NE ARG A 37 -3.337 10.340 -29.480 1.00 0.00 N ATOM 568 CZ ARG A 37 -3.615 9.121 -29.956 1.00 0.00 C ATOM 569 NH1 ARG A 37 -4.199 8.960 -31.148 1.00 0.00 N ATOM 570 NH2 ARG A 37 -3.301 8.064 -29.204 1.00 0.00 N ATOM 0 H ARG A 37 -1.368 13.801 -27.272 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.314 11.121 -27.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.874 13.618 -29.636 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.024 12.017 -30.331 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.203 12.832 -28.449 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.127 13.712 -29.962 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.607 11.810 -30.276 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.152 11.519 -31.208 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.950 10.394 -28.538 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.441 9.775 -31.712 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.403 8.022 -31.494 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.861 8.198 -28.293 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.501 7.122 -29.540 1.00 0.00 H new ATOM 584 N ALA A 38 1.627 12.623 -28.449 1.00 0.00 N ATOM 585 CA ALA A 38 3.058 12.369 -28.596 1.00 0.00 C ATOM 586 C ALA A 38 3.579 11.462 -27.474 1.00 0.00 C ATOM 587 O ALA A 38 4.375 10.560 -27.720 1.00 0.00 O ATOM 588 CB ALA A 38 3.828 13.691 -28.657 1.00 0.00 C ATOM 0 H ALA A 38 1.385 13.612 -28.391 1.00 0.00 H new ATOM 0 HA ALA A 38 3.220 11.840 -29.535 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.893 13.487 -28.767 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.481 14.275 -29.509 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.659 14.253 -27.739 1.00 0.00 H new ATOM 594 N LEU A 39 3.106 11.681 -26.244 1.00 0.00 N ATOM 595 CA LEU A 39 3.429 10.860 -25.081 1.00 0.00 C ATOM 596 C LEU A 39 2.712 9.497 -25.095 1.00 0.00 C ATOM 597 O LEU A 39 2.868 8.722 -24.153 1.00 0.00 O ATOM 598 CB LEU A 39 3.079 11.636 -23.801 1.00 0.00 C ATOM 599 CG LEU A 39 3.942 12.890 -23.572 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.264 13.792 -22.532 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.349 12.524 -23.086 1.00 0.00 C ATOM 0 H LEU A 39 2.474 12.452 -26.028 1.00 0.00 H new ATOM 0 HA LEU A 39 4.498 10.647 -25.112 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.031 11.932 -23.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.188 10.971 -22.944 1.00 0.00 H new ATOM 0 HG LEU A 39 4.037 13.414 -24.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.874 14.681 -22.368 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.280 14.089 -22.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.156 13.248 -21.594 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.930 13.434 -22.935 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.278 11.978 -22.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.841 11.899 -23.832 1.00 0.00 H new ATOM 613 N GLY A 40 1.929 9.184 -26.130 1.00 0.00 N ATOM 614 CA GLY A 40 1.299 7.883 -26.302 1.00 0.00 C ATOM 615 C GLY A 40 0.020 7.717 -25.480 1.00 0.00 C ATOM 616 O GLY A 40 -0.423 6.593 -25.256 1.00 0.00 O ATOM 0 H GLY A 40 1.715 9.841 -26.881 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.066 7.736 -27.357 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.007 7.104 -26.020 1.00 0.00 H new ATOM 620 N PHE A 41 -0.602 8.819 -25.053 1.00 0.00 N ATOM 621 CA PHE A 41 -1.922 8.774 -24.435 1.00 0.00 C ATOM 622 C PHE A 41 -2.987 8.608 -25.518 1.00 0.00 C ATOM 623 O PHE A 41 -2.742 8.896 -26.688 1.00 0.00 O ATOM 624 CB PHE A 41 -2.208 10.080 -23.683 1.00 0.00 C ATOM 625 CG PHE A 41 -1.524 10.250 -22.338 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.120 10.330 -22.258 1.00 0.00 C ATOM 627 CD2 PHE A 41 -2.296 10.444 -21.176 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.506 10.577 -21.025 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.670 10.695 -19.943 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.268 10.761 -19.866 1.00 0.00 C ATOM 0 H PHE A 41 -0.207 9.756 -25.126 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.946 7.936 -23.739 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.916 10.913 -24.322 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.285 10.158 -23.531 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.478 10.201 -23.148 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.374 10.400 -21.233 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.583 10.626 -20.967 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.267 10.837 -19.054 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.214 10.953 -18.918 1.00 0.00 H new ATOM 640 N GLU A 42 -4.190 8.204 -25.101 1.00 0.00 N ATOM 641 CA GLU A 42 -5.398 8.192 -25.912 1.00 0.00 C ATOM 642 C GLU A 42 -6.305 9.308 -25.374 1.00 0.00 C ATOM 643 O GLU A 42 -6.811 9.160 -24.263 1.00 0.00 O ATOM 644 CB GLU A 42 -6.088 6.825 -25.775 1.00 0.00 C ATOM 645 CG GLU A 42 -5.321 5.705 -26.498 1.00 0.00 C ATOM 646 CD GLU A 42 -5.327 5.864 -28.018 1.00 0.00 C ATOM 647 OE1 GLU A 42 -6.370 6.310 -28.546 1.00 0.00 O ATOM 648 OE2 GLU A 42 -4.287 5.544 -28.633 1.00 0.00 O ATOM 0 H GLU A 42 -4.349 7.865 -24.152 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.177 8.355 -26.967 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.183 6.573 -24.719 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.098 6.889 -26.179 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.290 5.690 -26.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.762 4.743 -26.237 1.00 0.00 H new ATOM 655 N PRO A 43 -6.482 10.426 -26.097 1.00 0.00 N ATOM 656 CA PRO A 43 -7.349 11.533 -25.711 1.00 0.00 C ATOM 657 C PRO A 43 -8.814 11.165 -25.433 1.00 0.00 C ATOM 658 O PRO A 43 -9.711 11.474 -26.219 1.00 0.00 O ATOM 659 CB PRO A 43 -7.215 12.569 -26.832 1.00 0.00 C ATOM 660 CG PRO A 43 -5.780 12.362 -27.297 1.00 0.00 C ATOM 661 CD PRO A 43 -5.609 10.845 -27.182 1.00 0.00 C ATOM 0 HA PRO A 43 -7.026 11.916 -24.743 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.932 12.394 -27.635 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.383 13.583 -26.470 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.630 12.711 -28.319 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.069 12.899 -26.670 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.880 10.350 -28.114 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.572 10.584 -26.972 1.00 0.00 H new ATOM 669 N LYS A 44 -9.079 10.561 -24.273 1.00 0.00 N ATOM 670 CA LYS A 44 -10.427 10.347 -23.769 1.00 0.00 C ATOM 671 C LYS A 44 -11.034 11.713 -23.429 1.00 0.00 C ATOM 672 O LYS A 44 -10.970 12.159 -22.285 1.00 0.00 O ATOM 673 CB LYS A 44 -10.408 9.404 -22.554 1.00 0.00 C ATOM 674 CG LYS A 44 -9.760 8.035 -22.820 1.00 0.00 C ATOM 675 CD LYS A 44 -10.361 7.309 -24.031 1.00 0.00 C ATOM 676 CE LYS A 44 -9.783 5.894 -24.139 1.00 0.00 C ATOM 677 NZ LYS A 44 -10.310 5.188 -25.320 1.00 0.00 N ATOM 0 H LYS A 44 -8.351 10.204 -23.654 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.045 9.863 -24.526 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.874 9.893 -21.739 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.432 9.248 -22.215 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.690 8.171 -22.980 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.873 7.408 -21.935 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.446 7.260 -23.934 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.147 7.868 -24.942 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.696 5.947 -24.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.025 5.330 -23.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.900 4.233 -25.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.345 5.117 -25.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.057 5.714 -26.181 1.00 0.00 H new ATOM 691 N LYS A 45 -11.588 12.374 -24.449 1.00 0.00 N ATOM 692 CA LYS A 45 -12.064 13.754 -24.458 1.00 0.00 C ATOM 693 C LYS A 45 -12.604 14.238 -23.107 1.00 0.00 C ATOM 694 O LYS A 45 -12.107 15.225 -22.569 1.00 0.00 O ATOM 695 CB LYS A 45 -13.114 13.935 -25.564 1.00 0.00 C ATOM 696 CG LYS A 45 -12.527 13.678 -26.960 1.00 0.00 C ATOM 697 CD LYS A 45 -13.576 13.981 -28.039 1.00 0.00 C ATOM 698 CE LYS A 45 -13.000 13.827 -29.452 1.00 0.00 C ATOM 699 NZ LYS A 45 -12.563 12.448 -29.728 1.00 0.00 N ATOM 0 H LYS A 45 -11.724 11.923 -25.354 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.196 14.380 -24.662 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.946 13.253 -25.389 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.516 14.947 -25.520 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.646 14.302 -27.113 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.201 12.641 -27.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.426 13.310 -27.918 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.950 14.996 -27.908 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.753 14.121 -30.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.155 14.505 -29.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.276 12.368 -30.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.757 12.210 -29.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.347 11.791 -29.539 1.00 0.00 H new ATOM 713 N GLU A 46 -13.613 13.566 -22.545 1.00 0.00 N ATOM 714 CA GLU A 46 -14.186 13.989 -21.273 1.00 0.00 C ATOM 715 C GLU A 46 -13.122 14.063 -20.170 1.00 0.00 C ATOM 716 O GLU A 46 -13.071 15.025 -19.407 1.00 0.00 O ATOM 717 CB GLU A 46 -15.372 13.094 -20.878 1.00 0.00 C ATOM 718 CG GLU A 46 -15.036 11.602 -20.733 1.00 0.00 C ATOM 719 CD GLU A 46 -16.229 10.830 -20.182 1.00 0.00 C ATOM 720 OE1 GLU A 46 -16.451 10.943 -18.957 1.00 0.00 O ATOM 721 OE2 GLU A 46 -16.897 10.155 -20.995 1.00 0.00 O ATOM 0 H GLU A 46 -14.044 12.735 -22.950 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.573 15.000 -21.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.781 13.453 -19.933 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.156 13.204 -21.627 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.749 11.193 -21.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.180 11.480 -20.069 1.00 0.00 H new ATOM 728 N GLU A 47 -12.263 13.048 -20.087 1.00 0.00 N ATOM 729 CA GLU A 47 -11.234 12.969 -19.068 1.00 0.00 C ATOM 730 C GLU A 47 -10.155 14.012 -19.350 1.00 0.00 C ATOM 731 O GLU A 47 -9.670 14.655 -18.423 1.00 0.00 O ATOM 732 CB GLU A 47 -10.671 11.540 -19.006 1.00 0.00 C ATOM 733 CG GLU A 47 -9.950 11.263 -17.677 1.00 0.00 C ATOM 734 CD GLU A 47 -10.876 11.352 -16.463 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.061 10.980 -16.613 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.387 11.812 -15.409 1.00 0.00 O ATOM 0 H GLU A 47 -12.267 12.257 -20.731 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.655 13.191 -18.087 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.483 10.824 -19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.978 11.387 -19.833 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.503 10.270 -17.713 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.134 11.976 -17.557 1.00 0.00 H new ATOM 743 N ILE A 48 -9.810 14.212 -20.627 1.00 0.00 N ATOM 744 CA ILE A 48 -8.934 15.308 -21.032 1.00 0.00 C ATOM 745 C ILE A 48 -9.500 16.634 -20.507 1.00 0.00 C ATOM 746 O ILE A 48 -8.772 17.409 -19.893 1.00 0.00 O ATOM 747 CB ILE A 48 -8.729 15.315 -22.560 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.974 14.070 -23.060 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.023 16.593 -23.032 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.457 14.147 -22.851 1.00 0.00 C ATOM 0 H ILE A 48 -10.128 13.624 -21.398 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.946 15.168 -20.593 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.727 15.291 -22.998 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.359 13.190 -22.544 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.180 13.933 -24.122 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.897 16.560 -24.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.624 17.461 -22.763 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.046 16.666 -22.555 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.991 13.236 -23.227 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.059 15.007 -23.390 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.241 14.253 -21.788 1.00 0.00 H new ATOM 762 N LYS A 49 -10.792 16.900 -20.722 1.00 0.00 N ATOM 763 CA LYS A 49 -11.422 18.112 -20.214 1.00 0.00 C ATOM 764 C LYS A 49 -11.313 18.201 -18.688 1.00 0.00 C ATOM 765 O LYS A 49 -10.897 19.244 -18.179 1.00 0.00 O ATOM 766 CB LYS A 49 -12.880 18.220 -20.683 1.00 0.00 C ATOM 767 CG LYS A 49 -13.021 18.489 -22.190 1.00 0.00 C ATOM 768 CD LYS A 49 -12.390 19.804 -22.681 1.00 0.00 C ATOM 769 CE LYS A 49 -12.804 21.040 -21.868 1.00 0.00 C ATOM 770 NZ LYS A 49 -14.268 21.194 -21.806 1.00 0.00 N ATOM 0 H LYS A 49 -11.419 16.289 -21.245 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.882 18.963 -20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.402 17.295 -20.437 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.372 19.021 -20.131 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.568 17.661 -22.735 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.081 18.496 -22.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.305 19.708 -22.649 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.665 19.959 -23.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.405 20.960 -20.857 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.364 21.932 -22.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.504 22.075 -21.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.655 21.229 -22.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.681 20.387 -21.296 1.00 0.00 H new ATOM 784 N LYS A 50 -11.673 17.136 -17.957 1.00 0.00 N ATOM 785 CA LYS A 50 -11.535 17.127 -16.499 1.00 0.00 C ATOM 786 C LYS A 50 -10.107 17.514 -16.103 1.00 0.00 C ATOM 787 O LYS A 50 -9.900 18.492 -15.385 1.00 0.00 O ATOM 788 CB LYS A 50 -11.884 15.756 -15.899 1.00 0.00 C ATOM 789 CG LYS A 50 -13.359 15.368 -16.054 1.00 0.00 C ATOM 790 CD LYS A 50 -13.613 14.030 -15.339 1.00 0.00 C ATOM 791 CE LYS A 50 -14.814 13.277 -15.923 1.00 0.00 C ATOM 792 NZ LYS A 50 -14.494 12.685 -17.238 1.00 0.00 N ATOM 0 H LYS A 50 -12.059 16.278 -18.350 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.239 17.857 -16.100 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.266 14.994 -16.374 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.628 15.758 -14.839 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.997 16.145 -15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.615 15.283 -17.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.723 13.405 -15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.783 14.214 -14.278 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.122 12.491 -15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.658 13.959 -16.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.277 12.072 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.356 13.444 -17.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.623 12.122 -17.162 1.00 0.00 H new ATOM 806 N MET A 51 -9.127 16.748 -16.591 1.00 0.00 N ATOM 807 CA MET A 51 -7.714 16.951 -16.343 1.00 0.00 C ATOM 808 C MET A 51 -7.339 18.412 -16.596 1.00 0.00 C ATOM 809 O MET A 51 -6.882 19.101 -15.684 1.00 0.00 O ATOM 810 CB MET A 51 -6.944 15.971 -17.239 1.00 0.00 C ATOM 811 CG MET A 51 -5.440 16.225 -17.266 1.00 0.00 C ATOM 812 SD MET A 51 -4.528 15.046 -18.291 1.00 0.00 S ATOM 813 CE MET A 51 -2.912 15.842 -18.297 1.00 0.00 C ATOM 0 H MET A 51 -9.312 15.943 -17.190 1.00 0.00 H new ATOM 0 HA MET A 51 -7.456 16.751 -15.303 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.127 14.954 -16.892 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.334 16.036 -18.255 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.256 17.234 -17.636 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.054 16.184 -16.247 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.245 15.307 -18.973 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.016 16.874 -18.632 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.496 15.828 -17.290 1.00 0.00 H new ATOM 823 N ILE A 52 -7.532 18.883 -17.831 1.00 0.00 N ATOM 824 CA ILE A 52 -7.209 20.247 -18.217 1.00 0.00 C ATOM 825 C ILE A 52 -7.827 21.223 -17.222 1.00 0.00 C ATOM 826 O ILE A 52 -7.126 22.094 -16.725 1.00 0.00 O ATOM 827 CB ILE A 52 -7.641 20.523 -19.673 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.663 19.798 -20.615 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.666 22.027 -19.996 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.061 19.890 -22.090 1.00 0.00 C ATOM 0 H ILE A 52 -7.919 18.322 -18.590 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.129 20.389 -18.187 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.657 20.153 -19.810 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.666 20.221 -20.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.603 18.748 -20.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.976 22.172 -21.031 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.370 22.530 -19.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.670 22.446 -19.853 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.329 19.358 -22.698 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.044 19.441 -22.230 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.093 20.936 -22.394 1.00 0.00 H new ATOM 842 N SER A 53 -9.114 21.073 -16.904 1.00 0.00 N ATOM 843 CA SER A 53 -9.776 21.970 -15.970 1.00 0.00 C ATOM 844 C SER A 53 -9.091 21.963 -14.601 1.00 0.00 C ATOM 845 O SER A 53 -8.785 23.024 -14.067 1.00 0.00 O ATOM 846 CB SER A 53 -11.264 21.621 -15.858 1.00 0.00 C ATOM 847 OG SER A 53 -11.860 21.619 -17.141 1.00 0.00 O ATOM 0 H SER A 53 -9.713 20.339 -17.281 1.00 0.00 H new ATOM 0 HA SER A 53 -9.694 22.985 -16.359 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.382 20.643 -15.392 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.768 22.343 -15.215 1.00 0.00 H new ATOM 0 HG SER A 53 -11.617 20.795 -17.613 1.00 0.00 H new ATOM 853 N GLU A 54 -8.833 20.777 -14.041 1.00 0.00 N ATOM 854 CA GLU A 54 -8.162 20.662 -12.753 1.00 0.00 C ATOM 855 C GLU A 54 -6.797 21.362 -12.774 1.00 0.00 C ATOM 856 O GLU A 54 -6.457 22.073 -11.832 1.00 0.00 O ATOM 857 CB GLU A 54 -8.019 19.187 -12.348 1.00 0.00 C ATOM 858 CG GLU A 54 -9.370 18.514 -12.053 1.00 0.00 C ATOM 859 CD GLU A 54 -10.096 19.143 -10.867 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.476 19.196 -9.784 1.00 0.00 O ATOM 861 OE2 GLU A 54 -11.258 19.561 -11.067 1.00 0.00 O ATOM 0 H GLU A 54 -9.082 19.883 -14.465 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.777 21.163 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.515 18.643 -13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.384 19.118 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.004 18.579 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.208 17.455 -11.854 1.00 0.00 H new ATOM 868 N ILE A 55 -6.004 21.156 -13.828 1.00 0.00 N ATOM 869 CA ILE A 55 -4.688 21.783 -13.929 1.00 0.00 C ATOM 870 C ILE A 55 -4.815 23.291 -14.206 1.00 0.00 C ATOM 871 O ILE A 55 -3.996 24.085 -13.735 1.00 0.00 O ATOM 872 CB ILE A 55 -3.836 21.049 -14.984 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.700 19.539 -14.702 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.437 21.667 -15.101 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.179 19.185 -13.305 1.00 0.00 C ATOM 0 H ILE A 55 -6.251 20.562 -14.620 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.171 21.693 -12.974 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.370 21.169 -15.927 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.674 19.070 -14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.030 19.105 -15.444 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.862 21.126 -15.853 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.525 22.713 -15.394 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.929 21.601 -14.139 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.118 18.101 -13.203 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.189 19.619 -13.165 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.859 19.583 -12.552 1.00 0.00 H new ATOM 887 N ASP A 56 -5.830 23.704 -14.968 1.00 0.00 N ATOM 888 CA ASP A 56 -6.013 25.081 -15.398 1.00 0.00 C ATOM 889 C ASP A 56 -6.601 25.921 -14.262 1.00 0.00 C ATOM 890 O ASP A 56 -7.767 26.308 -14.297 1.00 0.00 O ATOM 891 CB ASP A 56 -6.894 25.113 -16.655 1.00 0.00 C ATOM 892 CG ASP A 56 -7.066 26.516 -17.224 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.447 27.451 -16.672 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.818 26.632 -18.216 1.00 0.00 O ATOM 0 H ASP A 56 -6.558 23.075 -15.307 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.048 25.519 -15.652 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.455 24.469 -17.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.874 24.701 -16.416 1.00 0.00 H new ATOM 899 N LYS A 57 -5.771 26.233 -13.269 1.00 0.00 N ATOM 900 CA LYS A 57 -6.133 27.135 -12.185 1.00 0.00 C ATOM 901 C LYS A 57 -6.483 28.531 -12.720 1.00 0.00 C ATOM 902 O LYS A 57 -7.474 29.121 -12.294 1.00 0.00 O ATOM 903 CB LYS A 57 -4.991 27.229 -11.159 1.00 0.00 C ATOM 904 CG LYS A 57 -4.472 25.878 -10.647 1.00 0.00 C ATOM 905 CD LYS A 57 -5.584 25.025 -10.021 1.00 0.00 C ATOM 906 CE LYS A 57 -5.003 23.811 -9.285 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.303 22.899 -10.205 1.00 0.00 N ATOM 0 H LYS A 57 -4.823 25.863 -13.196 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.016 26.729 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.161 27.774 -11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.334 27.817 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.018 25.330 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.689 26.049 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.164 25.632 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.269 24.688 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.312 24.150 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.806 23.273 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.924 22.091 -9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.968 22.556 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.521 23.405 -10.668 1.00 0.00 H new ATOM 921 N ASP A 58 -5.640 29.075 -13.607 1.00 0.00 N ATOM 922 CA ASP A 58 -5.696 30.466 -14.058 1.00 0.00 C ATOM 923 C ASP A 58 -5.547 30.606 -15.578 1.00 0.00 C ATOM 924 O ASP A 58 -6.125 31.515 -16.169 1.00 0.00 O ATOM 925 CB ASP A 58 -4.603 31.263 -13.339 1.00 0.00 C ATOM 926 CG ASP A 58 -4.641 32.741 -13.720 1.00 0.00 C ATOM 927 OD1 ASP A 58 -5.529 33.441 -13.187 1.00 0.00 O ATOM 928 OD2 ASP A 58 -3.776 33.143 -14.527 1.00 0.00 O ATOM 0 H ASP A 58 -4.883 28.545 -14.039 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.682 30.860 -13.810 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.728 31.161 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.626 30.848 -13.587 1.00 0.00 H new ATOM 933 N GLY A 59 -4.773 29.723 -16.216 1.00 0.00 N ATOM 934 CA GLY A 59 -4.384 29.822 -17.621 1.00 0.00 C ATOM 935 C GLY A 59 -5.531 29.883 -18.647 1.00 0.00 C ATOM 936 O GLY A 59 -5.274 30.117 -19.828 1.00 0.00 O ATOM 0 H GLY A 59 -4.391 28.898 -15.754 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.769 30.714 -17.743 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.755 28.965 -17.862 1.00 0.00 H new ATOM 940 N SER A 60 -6.784 29.673 -18.228 1.00 0.00 N ATOM 941 CA SER A 60 -8.000 29.906 -19.003 1.00 0.00 C ATOM 942 C SER A 60 -7.922 29.385 -20.441 1.00 0.00 C ATOM 943 O SER A 60 -7.890 30.168 -21.388 1.00 0.00 O ATOM 944 CB SER A 60 -8.327 31.402 -18.973 1.00 0.00 C ATOM 945 OG SER A 60 -8.467 31.844 -17.635 1.00 0.00 O ATOM 0 H SER A 60 -6.983 29.318 -17.293 1.00 0.00 H new ATOM 0 HA SER A 60 -8.803 29.334 -18.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.536 31.965 -19.469 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.248 31.592 -19.525 1.00 0.00 H new ATOM 0 HG SER A 60 -7.602 31.783 -17.178 1.00 0.00 H new ATOM 951 N GLY A 61 -7.909 28.062 -20.605 1.00 0.00 N ATOM 952 CA GLY A 61 -7.825 27.416 -21.910 1.00 0.00 C ATOM 953 C GLY A 61 -6.383 27.054 -22.260 1.00 0.00 C ATOM 954 O GLY A 61 -6.155 26.153 -23.075 1.00 0.00 O ATOM 0 H GLY A 61 -7.957 27.405 -19.827 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.439 26.515 -21.912 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.231 28.080 -22.673 1.00 0.00 H new ATOM 958 N THR A 62 -5.412 27.728 -21.632 1.00 0.00 N ATOM 959 CA THR A 62 -4.014 27.351 -21.702 1.00 0.00 C ATOM 960 C THR A 62 -3.554 26.858 -20.328 1.00 0.00 C ATOM 961 O THR A 62 -4.215 27.118 -19.322 1.00 0.00 O ATOM 962 CB THR A 62 -3.166 28.513 -22.246 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.028 29.559 -21.305 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.767 29.134 -23.515 1.00 0.00 C ATOM 0 H THR A 62 -5.586 28.554 -21.060 1.00 0.00 H new ATOM 0 HA THR A 62 -3.881 26.528 -22.405 1.00 0.00 H new ATOM 0 HB THR A 62 -2.196 28.067 -22.467 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.892 29.729 -20.875 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.130 29.949 -23.858 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.836 28.375 -24.294 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.763 29.519 -23.295 1.00 0.00 H new ATOM 972 N ILE A 63 -2.439 26.126 -20.289 1.00 0.00 N ATOM 973 CA ILE A 63 -1.776 25.685 -19.074 1.00 0.00 C ATOM 974 C ILE A 63 -0.531 26.551 -18.885 1.00 0.00 C ATOM 975 O ILE A 63 0.319 26.618 -19.778 1.00 0.00 O ATOM 976 CB ILE A 63 -1.417 24.192 -19.173 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.631 23.301 -19.495 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.735 23.716 -17.884 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.805 23.459 -18.522 1.00 0.00 C ATOM 0 H ILE A 63 -1.961 25.817 -21.135 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.433 25.796 -18.211 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.724 24.094 -20.008 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.977 23.529 -20.503 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.312 22.259 -19.495 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.488 22.658 -17.972 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.178 24.289 -17.722 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.409 23.862 -17.040 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.617 22.796 -18.821 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.479 23.202 -17.514 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.154 24.491 -18.538 1.00 0.00 H new ATOM 991 N ASP A 64 -0.433 27.222 -17.734 1.00 0.00 N ATOM 992 CA ASP A 64 0.701 28.069 -17.384 1.00 0.00 C ATOM 993 C ASP A 64 1.905 27.206 -17.008 1.00 0.00 C ATOM 994 O ASP A 64 1.750 26.037 -16.659 1.00 0.00 O ATOM 995 CB ASP A 64 0.339 28.997 -16.215 1.00 0.00 C ATOM 996 CG ASP A 64 -0.905 29.840 -16.479 1.00 0.00 C ATOM 997 OD1 ASP A 64 -0.906 30.553 -17.504 1.00 0.00 O ATOM 998 OD2 ASP A 64 -1.831 29.754 -15.643 1.00 0.00 O ATOM 0 H ASP A 64 -1.152 27.189 -17.011 1.00 0.00 H new ATOM 0 HA ASP A 64 0.956 28.680 -18.250 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.180 28.397 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.181 29.658 -16.010 1.00 0.00 H new ATOM 1003 N PHE A 65 3.113 27.783 -17.036 1.00 0.00 N ATOM 1004 CA PHE A 65 4.325 27.037 -16.708 1.00 0.00 C ATOM 1005 C PHE A 65 4.257 26.445 -15.300 1.00 0.00 C ATOM 1006 O PHE A 65 4.537 25.265 -15.120 1.00 0.00 O ATOM 1007 CB PHE A 65 5.582 27.893 -16.911 1.00 0.00 C ATOM 1008 CG PHE A 65 6.874 27.167 -16.571 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.181 25.943 -17.198 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.730 27.668 -15.571 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.306 25.204 -16.794 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.880 26.949 -15.202 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.165 25.713 -15.807 1.00 0.00 C ATOM 0 H PHE A 65 3.272 28.760 -17.282 1.00 0.00 H new ATOM 0 HA PHE A 65 4.393 26.199 -17.402 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.623 28.223 -17.949 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.505 28.789 -16.294 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.550 25.572 -17.992 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.502 28.606 -15.087 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.510 24.243 -17.243 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.546 27.348 -14.451 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.043 25.156 -15.513 1.00 0.00 H new ATOM 1023 N GLU A 66 3.849 27.239 -14.306 1.00 0.00 N ATOM 1024 CA GLU A 66 3.711 26.754 -12.938 1.00 0.00 C ATOM 1025 C GLU A 66 2.736 25.571 -12.871 1.00 0.00 C ATOM 1026 O GLU A 66 3.029 24.549 -12.249 1.00 0.00 O ATOM 1027 CB GLU A 66 3.268 27.899 -12.018 1.00 0.00 C ATOM 1028 CG GLU A 66 4.328 29.008 -11.951 1.00 0.00 C ATOM 1029 CD GLU A 66 3.898 30.134 -11.014 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.084 30.964 -11.471 1.00 0.00 O ATOM 1031 OE2 GLU A 66 4.383 30.137 -9.863 1.00 0.00 O ATOM 0 H GLU A 66 3.609 28.223 -14.428 1.00 0.00 H new ATOM 0 HA GLU A 66 4.680 26.394 -12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.327 28.314 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.081 27.511 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.274 28.589 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.500 29.409 -12.950 1.00 0.00 H new ATOM 1038 N GLU A 67 1.578 25.702 -13.524 1.00 0.00 N ATOM 1039 CA GLU A 67 0.572 24.652 -13.575 1.00 0.00 C ATOM 1040 C GLU A 67 1.171 23.381 -14.194 1.00 0.00 C ATOM 1041 O GLU A 67 1.085 22.303 -13.609 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.641 25.138 -14.378 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.359 26.332 -13.729 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.468 26.895 -14.619 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.418 26.638 -15.840 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.335 27.607 -14.072 1.00 0.00 O ATOM 0 H GLU A 67 1.316 26.546 -14.033 1.00 0.00 H new ATOM 0 HA GLU A 67 0.242 24.413 -12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.316 25.419 -15.380 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.347 24.315 -14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.784 26.022 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.634 27.117 -13.515 1.00 0.00 H new ATOM 1053 N PHE A 68 1.799 23.520 -15.365 1.00 0.00 N ATOM 1054 CA PHE A 68 2.466 22.424 -16.055 1.00 0.00 C ATOM 1055 C PHE A 68 3.492 21.751 -15.142 1.00 0.00 C ATOM 1056 O PHE A 68 3.474 20.536 -14.971 1.00 0.00 O ATOM 1057 CB PHE A 68 3.131 22.936 -17.337 1.00 0.00 C ATOM 1058 CG PHE A 68 3.794 21.846 -18.157 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.003 20.955 -18.905 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.197 21.742 -18.202 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.610 19.963 -19.695 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.803 20.783 -19.033 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.012 19.882 -19.763 1.00 0.00 C ATOM 0 H PHE A 68 1.856 24.409 -15.862 1.00 0.00 H new ATOM 0 HA PHE A 68 1.719 21.678 -16.325 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.381 23.435 -17.951 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.877 23.686 -17.074 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.926 21.033 -18.872 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.807 22.398 -17.599 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.000 19.264 -20.249 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.879 20.740 -19.110 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.480 19.127 -20.377 1.00 0.00 H new ATOM 1073 N LEU A 69 4.388 22.537 -14.543 1.00 0.00 N ATOM 1074 CA LEU A 69 5.398 22.038 -13.625 1.00 0.00 C ATOM 1075 C LEU A 69 4.733 21.242 -12.502 1.00 0.00 C ATOM 1076 O LEU A 69 5.143 20.119 -12.216 1.00 0.00 O ATOM 1077 CB LEU A 69 6.236 23.212 -13.097 1.00 0.00 C ATOM 1078 CG LEU A 69 7.300 22.818 -12.059 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.306 21.800 -12.607 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.050 24.080 -11.617 1.00 0.00 C ATOM 0 H LEU A 69 4.428 23.546 -14.687 1.00 0.00 H new ATOM 0 HA LEU A 69 6.075 21.358 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.730 23.697 -13.939 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.567 23.949 -12.652 1.00 0.00 H new ATOM 0 HG LEU A 69 6.788 22.349 -11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.035 21.556 -11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.780 20.894 -12.908 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.820 22.224 -13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.808 23.814 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.530 24.540 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.346 24.785 -11.175 1.00 0.00 H new ATOM 1092 N THR A 70 3.691 21.801 -11.881 1.00 0.00 N ATOM 1093 CA THR A 70 2.944 21.113 -10.834 1.00 0.00 C ATOM 1094 C THR A 70 2.404 19.774 -11.350 1.00 0.00 C ATOM 1095 O THR A 70 2.594 18.742 -10.709 1.00 0.00 O ATOM 1096 CB THR A 70 1.827 22.018 -10.290 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.371 23.259 -9.889 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.145 21.393 -9.069 1.00 0.00 C ATOM 0 H THR A 70 3.346 22.738 -12.091 1.00 0.00 H new ATOM 0 HA THR A 70 3.615 20.891 -10.004 1.00 0.00 H new ATOM 0 HB THR A 70 1.096 22.148 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.571 23.800 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.360 22.059 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.708 20.434 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.881 21.240 -8.280 1.00 0.00 H new ATOM 1106 N MET A 71 1.749 19.780 -12.515 1.00 0.00 N ATOM 1107 CA MET A 71 1.208 18.585 -13.145 1.00 0.00 C ATOM 1108 C MET A 71 2.300 17.527 -13.321 1.00 0.00 C ATOM 1109 O MET A 71 2.128 16.384 -12.900 1.00 0.00 O ATOM 1110 CB MET A 71 0.580 18.969 -14.491 1.00 0.00 C ATOM 1111 CG MET A 71 -0.131 17.794 -15.170 1.00 0.00 C ATOM 1112 SD MET A 71 -0.660 18.111 -16.872 1.00 0.00 S ATOM 1113 CE MET A 71 0.935 18.140 -17.722 1.00 0.00 C ATOM 0 H MET A 71 1.580 20.632 -13.050 1.00 0.00 H new ATOM 0 HA MET A 71 0.438 18.152 -12.507 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.133 19.779 -14.336 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.357 19.350 -15.154 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.536 16.932 -15.166 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.005 17.524 -14.577 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.773 18.183 -18.799 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.500 19.016 -17.405 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.495 17.238 -17.476 1.00 0.00 H new ATOM 1123 N MET A 72 3.416 17.902 -13.950 1.00 0.00 N ATOM 1124 CA MET A 72 4.539 17.005 -14.181 1.00 0.00 C ATOM 1125 C MET A 72 5.075 16.467 -12.853 1.00 0.00 C ATOM 1126 O MET A 72 5.319 15.272 -12.721 1.00 0.00 O ATOM 1127 CB MET A 72 5.638 17.730 -14.973 1.00 0.00 C ATOM 1128 CG MET A 72 5.225 18.057 -16.417 1.00 0.00 C ATOM 1129 SD MET A 72 4.749 16.672 -17.487 1.00 0.00 S ATOM 1130 CE MET A 72 6.247 15.663 -17.437 1.00 0.00 C ATOM 0 H MET A 72 3.562 18.844 -14.314 1.00 0.00 H new ATOM 0 HA MET A 72 4.199 16.154 -14.772 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.899 18.655 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.535 17.110 -14.989 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.388 18.754 -16.378 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.054 18.580 -16.893 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.155 14.840 -18.145 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.108 16.276 -17.704 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.383 15.264 -16.432 1.00 0.00 H new ATOM 1140 N THR A 73 5.248 17.344 -11.861 1.00 0.00 N ATOM 1141 CA THR A 73 5.711 16.957 -10.535 1.00 0.00 C ATOM 1142 C THR A 73 4.757 15.936 -9.907 1.00 0.00 C ATOM 1143 O THR A 73 5.204 14.955 -9.319 1.00 0.00 O ATOM 1144 CB THR A 73 5.883 18.201 -9.652 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.772 19.108 -10.272 1.00 0.00 O ATOM 1146 CG2 THR A 73 6.467 17.852 -8.281 1.00 0.00 C ATOM 0 H THR A 73 5.069 18.343 -11.959 1.00 0.00 H new ATOM 0 HA THR A 73 6.685 16.476 -10.623 1.00 0.00 H new ATOM 0 HB THR A 73 4.893 18.638 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.283 19.649 -10.927 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.572 18.761 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.801 17.159 -7.767 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.445 17.387 -8.410 1.00 0.00 H new ATOM 1154 N ALA A 74 3.446 16.164 -10.014 1.00 0.00 N ATOM 1155 CA ALA A 74 2.455 15.225 -9.511 1.00 0.00 C ATOM 1156 C ALA A 74 2.585 13.892 -10.250 1.00 0.00 C ATOM 1157 O ALA A 74 2.854 12.861 -9.637 1.00 0.00 O ATOM 1158 CB ALA A 74 1.050 15.820 -9.641 1.00 0.00 C ATOM 0 H ALA A 74 3.050 16.998 -10.448 1.00 0.00 H new ATOM 0 HA ALA A 74 2.630 15.037 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.317 15.108 -9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.991 16.743 -9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.840 16.032 -10.689 1.00 0.00 H new ATOM 1164 N LYS A 75 2.437 13.907 -11.575 1.00 0.00 N ATOM 1165 CA LYS A 75 2.528 12.711 -12.401 1.00 0.00 C ATOM 1166 C LYS A 75 3.988 12.379 -12.726 1.00 0.00 C ATOM 1167 O LYS A 75 4.335 12.112 -13.875 1.00 0.00 O ATOM 1168 CB LYS A 75 1.700 12.897 -13.675 1.00 0.00 C ATOM 1169 CG LYS A 75 0.244 13.281 -13.368 1.00 0.00 C ATOM 1170 CD LYS A 75 -0.703 12.917 -14.520 1.00 0.00 C ATOM 1171 CE LYS A 75 -0.330 13.610 -15.836 1.00 0.00 C ATOM 1172 NZ LYS A 75 -1.263 13.239 -16.915 1.00 0.00 N ATOM 0 H LYS A 75 2.249 14.758 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 75 2.121 11.866 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.156 13.671 -14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.716 11.974 -14.255 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.080 12.775 -12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.185 14.352 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.691 11.837 -14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.722 13.190 -14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.341 14.691 -15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.686 13.336 -16.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.987 13.722 -17.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.233 12.210 -17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.228 13.523 -16.652 1.00 0.00 H new ATOM 1186 N MET A 76 4.837 12.370 -11.700 1.00 0.00 N ATOM 1187 CA MET A 76 6.238 12.003 -11.846 1.00 0.00 C ATOM 1188 C MET A 76 6.378 10.513 -12.180 1.00 0.00 C ATOM 1189 O MET A 76 5.540 9.726 -11.686 1.00 0.00 O ATOM 1190 CB MET A 76 7.047 12.408 -10.604 1.00 0.00 C ATOM 1191 CG MET A 76 6.506 11.853 -9.277 1.00 0.00 C ATOM 1192 SD MET A 76 7.635 12.006 -7.865 1.00 0.00 S ATOM 1193 CE MET A 76 7.835 13.799 -7.757 1.00 0.00 C ATOM 1194 OXT MET A 76 7.338 10.182 -12.910 1.00 0.00 O ATOM 0 H MET A 76 4.570 12.617 -10.747 1.00 0.00 H new ATOM 0 HA MET A 76 6.657 12.557 -12.686 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.076 12.070 -10.731 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.074 13.496 -10.543 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.576 12.369 -9.037 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.260 10.800 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.532 14.040 -6.955 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.224 14.179 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.870 14.261 -7.549 1.00 0.00 H new TER 1204 MET A 76