USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 88 TYR OH : rot 180:sc= -0.431 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= -0.469 USER MOD Set 1.3: A 123 LYS NZ :NH3+ -121:sc= -0.528 (180deg=-0.71) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.15) USER MOD Single : A 27 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 28 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.3) USER MOD Single : A 31 SER OG : rot -72:sc= -0.571 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 38 THR OG1 : rot -94:sc= -0.0349 USER MOD Single : A 40 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.059) USER MOD Single : A 41 SER OG : rot -83:sc= -0.157 USER MOD Single : A 44 ASN : amide:sc= -1.03 K(o=-1,f=-7.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0311) USER MOD Single : A 52 SER OG : rot -176:sc= -0.331 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00453 USER MOD Single : A 56 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.03) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0397) USER MOD Single : A 66 THR OG1 : rot 81:sc= 0.914 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -13:sc= 0.836 USER MOD Single : A 79 CYS SG : rot 155:sc= -3.49! USER MOD Single : A 81 TYR OH : rot -41:sc= 0.231 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 75:sc= 0.606 USER MOD Single : A 87 CYS SG : rot 84:sc= -0.0412! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0666 K(o=-0.067,f=-2!) USER MOD Single : A 117 LYS NZ :NH3+ -122:sc= 0.511 (180deg=0) USER MOD Single : A 118 SER OG : rot 69:sc= 0.79 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.91 K(o=-0.91,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.786 7.341 -5.844 1.00 0.67 N ATOM 129 CA PRO A 8 9.426 6.522 -7.021 1.00 0.58 C ATOM 130 C PRO A 8 8.002 6.865 -7.490 1.00 0.52 C ATOM 131 O PRO A 8 7.251 7.531 -6.805 1.00 0.58 O ATOM 132 CB PRO A 8 9.512 5.055 -6.530 1.00 0.62 C ATOM 133 CG PRO A 8 9.817 5.091 -5.005 1.00 0.71 C ATOM 134 CD PRO A 8 10.092 6.562 -4.622 1.00 0.75 C ATOM 0 HA PRO A 8 10.085 6.701 -7.871 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.576 4.531 -6.722 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.294 4.517 -7.065 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.975 4.698 -4.436 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.679 4.466 -4.771 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.466 6.876 -3.787 1.00 0.75 H new ATOM 0 HD3 PRO A 8 11.128 6.702 -4.314 1.00 0.75 H new ATOM 142 N THR A 9 7.629 6.392 -8.652 1.00 0.48 N ATOM 143 CA THR A 9 6.256 6.656 -9.185 1.00 0.46 C ATOM 144 C THR A 9 5.404 5.402 -8.969 1.00 0.43 C ATOM 145 O THR A 9 5.907 4.357 -8.607 1.00 0.44 O ATOM 146 CB THR A 9 6.350 6.968 -10.696 1.00 0.47 C ATOM 147 OG1 THR A 9 7.538 6.392 -11.218 1.00 0.72 O ATOM 148 CG2 THR A 9 6.382 8.480 -10.925 1.00 0.73 C ATOM 0 H THR A 9 8.222 5.828 -9.261 1.00 0.48 H new ATOM 0 HA THR A 9 5.805 7.505 -8.671 1.00 0.46 H new ATOM 0 HB THR A 9 5.478 6.551 -11.200 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.602 6.586 -12.177 1.00 0.72 H new ATOM 0 HG21 THR A 9 6.448 8.685 -11.994 1.00 0.73 H new ATOM 0 HG22 THR A 9 5.472 8.928 -10.525 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.248 8.906 -10.419 1.00 0.73 H new ATOM 156 N LEU A 10 4.123 5.488 -9.202 1.00 0.41 N ATOM 157 CA LEU A 10 3.274 4.284 -9.021 1.00 0.40 C ATOM 158 C LEU A 10 3.597 3.300 -10.134 1.00 0.39 C ATOM 159 O LEU A 10 3.488 2.102 -9.961 1.00 0.39 O ATOM 160 CB LEU A 10 1.784 4.656 -9.081 1.00 0.41 C ATOM 161 CG LEU A 10 0.911 3.385 -9.106 1.00 0.37 C ATOM 162 CD1 LEU A 10 1.034 2.638 -7.781 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.542 3.778 -9.316 1.00 0.41 C ATOM 0 H LEU A 10 3.635 6.330 -9.506 1.00 0.41 H new ATOM 0 HA LEU A 10 3.476 3.841 -8.046 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.521 5.268 -8.218 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.588 5.256 -9.970 1.00 0.41 H new ATOM 0 HG LEU A 10 1.247 2.740 -9.918 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.414 1.742 -7.809 1.00 0.41 H new ATOM 0 HD12 LEU A 10 2.074 2.354 -7.618 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.703 3.283 -6.967 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.162 2.882 -9.334 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.865 4.426 -8.501 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.642 4.308 -10.263 1.00 0.41 H new ATOM 175 N LYS A 11 4.003 3.778 -11.278 1.00 0.42 N ATOM 176 CA LYS A 11 4.333 2.850 -12.382 1.00 0.44 C ATOM 177 C LYS A 11 5.565 2.053 -11.984 1.00 0.43 C ATOM 178 O LYS A 11 5.753 0.927 -12.398 1.00 0.45 O ATOM 179 CB LYS A 11 4.628 3.663 -13.648 1.00 0.49 C ATOM 180 CG LYS A 11 5.024 2.722 -14.788 1.00 0.83 C ATOM 181 CD LYS A 11 5.146 3.517 -16.097 1.00 0.98 C ATOM 182 CE LYS A 11 3.770 4.049 -16.540 1.00 1.64 C ATOM 183 NZ LYS A 11 3.738 4.149 -18.027 1.00 2.31 N ATOM 0 H LYS A 11 4.118 4.769 -11.490 1.00 0.42 H new ATOM 0 HA LYS A 11 3.501 2.174 -12.577 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.750 4.243 -13.932 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.431 4.374 -13.456 1.00 0.49 H new ATOM 0 HG2 LYS A 11 5.971 2.235 -14.558 1.00 0.83 H new ATOM 0 HG3 LYS A 11 4.279 1.934 -14.898 1.00 0.83 H new ATOM 0 HD2 LYS A 11 5.836 4.349 -15.960 1.00 0.98 H new ATOM 0 HD3 LYS A 11 5.564 2.881 -16.877 1.00 0.98 H new ATOM 0 HE2 LYS A 11 2.980 3.384 -16.191 1.00 1.64 H new ATOM 0 HE3 LYS A 11 3.584 5.026 -16.094 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 2.810 4.508 -18.331 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 4.483 4.800 -18.347 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 3.898 3.209 -18.442 1.00 2.31 H new ATOM 197 N ASP A 12 6.420 2.638 -11.191 1.00 0.43 N ATOM 198 CA ASP A 12 7.648 1.913 -10.785 1.00 0.45 C ATOM 199 C ASP A 12 7.255 0.578 -10.151 1.00 0.44 C ATOM 200 O ASP A 12 8.038 -0.346 -10.085 1.00 0.46 O ATOM 201 CB ASP A 12 8.427 2.751 -9.771 1.00 0.48 C ATOM 202 CG ASP A 12 9.777 2.088 -9.491 1.00 1.16 C ATOM 203 OD1 ASP A 12 9.780 1.030 -8.882 1.00 1.88 O ATOM 204 OD2 ASP A 12 10.785 2.648 -9.890 1.00 1.94 O ATOM 0 H ASP A 12 6.320 3.579 -10.811 1.00 0.43 H new ATOM 0 HA ASP A 12 8.274 1.735 -11.659 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.578 3.759 -10.156 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.857 2.845 -8.847 1.00 0.48 H new ATOM 209 N ALA A 13 6.040 0.481 -9.660 1.00 0.43 N ATOM 210 CA ALA A 13 5.597 -0.784 -9.007 1.00 0.45 C ATOM 211 C ALA A 13 5.537 -1.910 -10.039 1.00 0.49 C ATOM 212 O ALA A 13 5.487 -3.075 -9.696 1.00 0.57 O ATOM 213 CB ALA A 13 4.209 -0.581 -8.396 1.00 0.44 C ATOM 0 H ALA A 13 5.341 1.224 -9.685 1.00 0.43 H new ATOM 0 HA ALA A 13 6.308 -1.052 -8.225 1.00 0.45 H new ATOM 0 HB1 ALA A 13 3.883 -1.505 -7.918 1.00 0.44 H new ATOM 0 HB2 ALA A 13 4.251 0.216 -7.654 1.00 0.44 H new ATOM 0 HB3 ALA A 13 3.502 -0.310 -9.180 1.00 0.44 H new ATOM 219 N TYR A 14 5.532 -1.576 -11.300 1.00 0.54 N ATOM 220 CA TYR A 14 5.464 -2.630 -12.353 1.00 0.60 C ATOM 221 C TYR A 14 6.874 -3.120 -12.698 1.00 0.67 C ATOM 222 O TYR A 14 7.107 -3.636 -13.772 1.00 1.15 O ATOM 223 CB TYR A 14 4.798 -2.050 -13.601 1.00 0.61 C ATOM 224 CG TYR A 14 3.325 -1.838 -13.327 1.00 0.58 C ATOM 225 CD1 TYR A 14 2.916 -0.818 -12.457 1.00 1.32 C ATOM 226 CD2 TYR A 14 2.370 -2.660 -13.938 1.00 1.37 C ATOM 227 CE1 TYR A 14 1.553 -0.621 -12.199 1.00 1.33 C ATOM 228 CE2 TYR A 14 1.008 -2.464 -13.679 1.00 1.41 C ATOM 229 CZ TYR A 14 0.599 -1.445 -12.810 1.00 0.70 C ATOM 230 OH TYR A 14 -0.743 -1.252 -12.556 1.00 0.82 O ATOM 0 H TYR A 14 5.572 -0.618 -11.648 1.00 0.54 H new ATOM 0 HA TYR A 14 4.880 -3.473 -11.984 1.00 0.60 H new ATOM 0 HB2 TYR A 14 5.269 -1.105 -13.873 1.00 0.61 H new ATOM 0 HB3 TYR A 14 4.929 -2.727 -14.445 1.00 0.61 H new ATOM 0 HD1 TYR A 14 3.652 -0.184 -11.985 1.00 1.32 H new ATOM 0 HD2 TYR A 14 2.684 -3.446 -14.609 1.00 1.37 H new ATOM 0 HE1 TYR A 14 1.238 0.166 -11.529 1.00 1.33 H new ATOM 0 HE2 TYR A 14 0.272 -3.099 -14.150 1.00 1.41 H new ATOM 0 HH TYR A 14 -1.269 -1.908 -13.060 1.00 0.82 H new ATOM 240 N GLU A 15 7.816 -2.954 -11.797 1.00 0.57 N ATOM 241 CA GLU A 15 9.224 -3.406 -12.058 1.00 0.60 C ATOM 242 C GLU A 15 9.552 -4.610 -11.145 1.00 0.53 C ATOM 243 O GLU A 15 9.935 -4.407 -10.010 1.00 0.57 O ATOM 244 CB GLU A 15 10.190 -2.252 -11.723 1.00 0.68 C ATOM 245 CG GLU A 15 10.376 -1.358 -12.950 1.00 0.89 C ATOM 246 CD GLU A 15 9.012 -0.846 -13.420 1.00 1.59 C ATOM 247 OE1 GLU A 15 8.219 -0.469 -12.573 1.00 2.12 O ATOM 248 OE2 GLU A 15 8.783 -0.842 -14.619 1.00 2.32 O ATOM 0 H GLU A 15 7.669 -2.522 -10.885 1.00 0.57 H new ATOM 0 HA GLU A 15 9.329 -3.695 -13.104 1.00 0.60 H new ATOM 0 HB2 GLU A 15 9.797 -1.667 -10.892 1.00 0.68 H new ATOM 0 HB3 GLU A 15 11.152 -2.652 -11.404 1.00 0.68 H new ATOM 0 HG2 GLU A 15 11.027 -0.519 -12.706 1.00 0.89 H new ATOM 0 HG3 GLU A 15 10.862 -1.917 -13.750 1.00 0.89 H new ATOM 255 N PRO A 16 9.405 -5.829 -11.636 1.00 0.51 N ATOM 256 CA PRO A 16 9.701 -7.019 -10.818 1.00 0.48 C ATOM 257 C PRO A 16 11.155 -7.004 -10.318 1.00 0.51 C ATOM 258 O PRO A 16 11.839 -6.000 -10.347 1.00 0.76 O ATOM 259 CB PRO A 16 9.439 -8.228 -11.752 1.00 0.53 C ATOM 260 CG PRO A 16 8.859 -7.671 -13.081 1.00 0.64 C ATOM 261 CD PRO A 16 8.947 -6.132 -13.014 1.00 0.60 C ATOM 0 HA PRO A 16 9.081 -7.059 -9.922 1.00 0.48 H new ATOM 0 HB2 PRO A 16 10.362 -8.778 -11.937 1.00 0.53 H new ATOM 0 HB3 PRO A 16 8.740 -8.925 -11.290 1.00 0.53 H new ATOM 0 HG2 PRO A 16 9.421 -8.051 -13.934 1.00 0.64 H new ATOM 0 HG3 PRO A 16 7.825 -7.991 -13.213 1.00 0.64 H new ATOM 0 HD2 PRO A 16 9.646 -5.745 -13.755 1.00 0.60 H new ATOM 0 HD3 PRO A 16 7.980 -5.673 -13.217 1.00 0.60 H new ATOM 269 N LEU A 17 11.593 -8.127 -9.830 1.00 0.63 N ATOM 270 CA LEU A 17 12.965 -8.270 -9.267 1.00 0.74 C ATOM 271 C LEU A 17 13.495 -9.677 -9.563 1.00 0.79 C ATOM 272 O LEU A 17 12.742 -10.608 -9.762 1.00 1.03 O ATOM 273 CB LEU A 17 12.886 -8.083 -7.742 1.00 0.79 C ATOM 274 CG LEU A 17 12.793 -6.584 -7.400 1.00 1.26 C ATOM 275 CD1 LEU A 17 12.484 -6.429 -5.907 1.00 1.12 C ATOM 276 CD2 LEU A 17 14.121 -5.860 -7.731 1.00 2.28 C ATOM 0 H LEU A 17 11.038 -8.982 -9.796 1.00 0.63 H new ATOM 0 HA LEU A 17 13.628 -7.528 -9.712 1.00 0.74 H new ATOM 0 HB2 LEU A 17 12.017 -8.609 -7.347 1.00 0.79 H new ATOM 0 HB3 LEU A 17 13.765 -8.519 -7.268 1.00 0.79 H new ATOM 0 HG LEU A 17 11.999 -6.136 -7.997 1.00 1.26 H new ATOM 0 HD11 LEU A 17 12.417 -5.370 -5.657 1.00 1.12 H new ATOM 0 HD12 LEU A 17 11.536 -6.917 -5.679 1.00 1.12 H new ATOM 0 HD13 LEU A 17 13.279 -6.890 -5.321 1.00 1.12 H new ATOM 0 HD21 LEU A 17 14.031 -4.803 -7.481 1.00 2.28 H new ATOM 0 HD22 LEU A 17 14.931 -6.302 -7.151 1.00 2.28 H new ATOM 0 HD23 LEU A 17 14.337 -5.964 -8.794 1.00 2.28 H new ATOM 288 N TYR A 18 14.795 -9.831 -9.585 1.00 0.78 N ATOM 289 CA TYR A 18 15.402 -11.171 -9.861 1.00 0.88 C ATOM 290 C TYR A 18 15.572 -11.904 -8.510 1.00 0.76 C ATOM 291 O TYR A 18 15.569 -11.261 -7.479 1.00 0.63 O ATOM 292 CB TYR A 18 16.772 -10.973 -10.558 1.00 1.09 C ATOM 293 CG TYR A 18 16.817 -9.625 -11.247 1.00 0.78 C ATOM 294 CD1 TYR A 18 15.718 -9.183 -11.994 1.00 1.41 C ATOM 295 CD2 TYR A 18 17.961 -8.825 -11.146 1.00 1.46 C ATOM 296 CE1 TYR A 18 15.763 -7.941 -12.638 1.00 1.67 C ATOM 297 CE2 TYR A 18 18.006 -7.583 -11.788 1.00 1.64 C ATOM 298 CZ TYR A 18 16.907 -7.140 -12.534 1.00 1.40 C ATOM 299 OH TYR A 18 16.951 -5.916 -13.169 1.00 1.95 O ATOM 0 H TYR A 18 15.467 -9.081 -9.423 1.00 0.78 H new ATOM 0 HA TYR A 18 14.766 -11.764 -10.518 1.00 0.88 H new ATOM 0 HB2 TYR A 18 17.575 -11.042 -9.824 1.00 1.09 H new ATOM 0 HB3 TYR A 18 16.936 -11.768 -11.286 1.00 1.09 H new ATOM 0 HD1 TYR A 18 14.836 -9.801 -12.073 1.00 1.41 H new ATOM 0 HD2 TYR A 18 18.810 -9.167 -10.572 1.00 1.46 H new ATOM 0 HE1 TYR A 18 14.916 -7.601 -13.215 1.00 1.67 H new ATOM 0 HE2 TYR A 18 18.889 -6.966 -11.708 1.00 1.64 H new ATOM 0 HH TYR A 18 17.815 -5.488 -12.994 1.00 1.95 H new ATOM 309 N PRO A 19 15.708 -13.219 -8.529 1.00 0.88 N ATOM 310 CA PRO A 19 15.868 -13.984 -7.275 1.00 0.87 C ATOM 311 C PRO A 19 17.102 -13.494 -6.497 1.00 0.80 C ATOM 312 O PRO A 19 17.143 -13.554 -5.284 1.00 0.77 O ATOM 313 CB PRO A 19 16.031 -15.459 -7.721 1.00 1.11 C ATOM 314 CG PRO A 19 15.946 -15.491 -9.274 1.00 1.24 C ATOM 315 CD PRO A 19 15.716 -14.041 -9.761 1.00 1.09 C ATOM 0 HA PRO A 19 15.018 -13.861 -6.604 1.00 0.87 H new ATOM 0 HB2 PRO A 19 16.986 -15.859 -7.381 1.00 1.11 H new ATOM 0 HB3 PRO A 19 15.251 -16.081 -7.282 1.00 1.11 H new ATOM 0 HG2 PRO A 19 16.864 -15.896 -9.699 1.00 1.24 H new ATOM 0 HG3 PRO A 19 15.131 -16.138 -9.599 1.00 1.24 H new ATOM 0 HD2 PRO A 19 16.506 -13.724 -10.442 1.00 1.09 H new ATOM 0 HD3 PRO A 19 14.774 -13.951 -10.301 1.00 1.09 H new ATOM 323 N GLN A 20 18.110 -13.028 -7.182 1.00 0.80 N ATOM 324 CA GLN A 20 19.333 -12.562 -6.464 1.00 0.77 C ATOM 325 C GLN A 20 19.047 -11.231 -5.760 1.00 0.68 C ATOM 326 O GLN A 20 19.408 -11.037 -4.616 1.00 0.67 O ATOM 327 CB GLN A 20 20.487 -12.383 -7.455 1.00 0.85 C ATOM 328 CG GLN A 20 21.041 -13.752 -7.853 1.00 1.41 C ATOM 329 CD GLN A 20 22.183 -13.567 -8.854 1.00 1.86 C ATOM 330 OE1 GLN A 20 23.194 -12.972 -8.536 1.00 2.60 O ATOM 331 NE2 GLN A 20 22.065 -14.053 -10.059 1.00 2.30 N ATOM 0 H GLN A 20 18.142 -12.949 -8.198 1.00 0.80 H new ATOM 0 HA GLN A 20 19.613 -13.309 -5.722 1.00 0.77 H new ATOM 0 HB2 GLN A 20 20.140 -11.849 -8.340 1.00 0.85 H new ATOM 0 HB3 GLN A 20 21.274 -11.778 -7.006 1.00 0.85 H new ATOM 0 HG2 GLN A 20 21.399 -14.282 -6.970 1.00 1.41 H new ATOM 0 HG3 GLN A 20 20.252 -14.362 -8.293 1.00 1.41 H new ATOM 0 HE21 GLN A 20 21.217 -14.552 -10.327 1.00 2.30 H new ATOM 0 HE22 GLN A 20 22.821 -13.934 -10.733 1.00 2.30 H new ATOM 340 N GLN A 21 18.411 -10.313 -6.431 1.00 0.64 N ATOM 341 CA GLN A 21 18.114 -8.998 -5.793 1.00 0.59 C ATOM 342 C GLN A 21 17.280 -9.210 -4.528 1.00 0.50 C ATOM 343 O GLN A 21 17.557 -8.646 -3.488 1.00 0.47 O ATOM 344 CB GLN A 21 17.331 -8.122 -6.772 1.00 0.64 C ATOM 345 CG GLN A 21 18.242 -7.711 -7.929 1.00 1.02 C ATOM 346 CD GLN A 21 19.257 -6.679 -7.436 1.00 1.57 C ATOM 347 OE1 GLN A 21 18.927 -5.524 -7.256 1.00 2.34 O ATOM 348 NE2 GLN A 21 20.487 -7.050 -7.206 1.00 1.94 N ATOM 0 H GLN A 21 18.084 -10.414 -7.392 1.00 0.64 H new ATOM 0 HA GLN A 21 19.052 -8.509 -5.529 1.00 0.59 H new ATOM 0 HB2 GLN A 21 16.466 -8.666 -7.152 1.00 0.64 H new ATOM 0 HB3 GLN A 21 16.952 -7.237 -6.261 1.00 0.64 H new ATOM 0 HG2 GLN A 21 18.759 -8.584 -8.327 1.00 1.02 H new ATOM 0 HG3 GLN A 21 17.649 -7.294 -8.743 1.00 1.02 H new ATOM 0 HE21 GLN A 21 20.764 -8.020 -7.357 1.00 1.94 H new ATOM 0 HE22 GLN A 21 21.171 -6.370 -6.875 1.00 1.94 H new ATOM 357 N LEU A 22 16.256 -10.013 -4.609 1.00 0.52 N ATOM 358 CA LEU A 22 15.403 -10.251 -3.414 1.00 0.46 C ATOM 359 C LEU A 22 16.178 -11.070 -2.380 1.00 0.42 C ATOM 360 O LEU A 22 16.008 -10.900 -1.188 1.00 0.40 O ATOM 361 CB LEU A 22 14.149 -11.016 -3.842 1.00 0.52 C ATOM 362 CG LEU A 22 13.126 -11.051 -2.698 1.00 0.59 C ATOM 363 CD1 LEU A 22 12.540 -9.646 -2.445 1.00 0.52 C ATOM 364 CD2 LEU A 22 12.003 -12.019 -3.081 1.00 0.93 C ATOM 0 H LEU A 22 15.974 -10.514 -5.451 1.00 0.52 H new ATOM 0 HA LEU A 22 15.119 -9.297 -2.970 1.00 0.46 H new ATOM 0 HB2 LEU A 22 13.708 -10.542 -4.719 1.00 0.52 H new ATOM 0 HB3 LEU A 22 14.416 -12.033 -4.130 1.00 0.52 H new ATOM 0 HG LEU A 22 13.617 -11.382 -1.783 1.00 0.59 H new ATOM 0 HD11 LEU A 22 11.817 -9.694 -1.630 1.00 0.52 H new ATOM 0 HD12 LEU A 22 13.343 -8.960 -2.177 1.00 0.52 H new ATOM 0 HD13 LEU A 22 12.045 -9.290 -3.348 1.00 0.52 H new ATOM 0 HD21 LEU A 22 11.266 -12.057 -2.279 1.00 0.93 H new ATOM 0 HD22 LEU A 22 11.524 -11.676 -3.998 1.00 0.93 H new ATOM 0 HD23 LEU A 22 12.419 -13.014 -3.239 1.00 0.93 H new ATOM 376 N GLU A 23 17.025 -11.964 -2.818 1.00 0.44 N ATOM 377 CA GLU A 23 17.788 -12.785 -1.837 1.00 0.42 C ATOM 378 C GLU A 23 18.845 -11.908 -1.163 1.00 0.38 C ATOM 379 O GLU A 23 19.203 -12.115 -0.021 1.00 0.37 O ATOM 380 CB GLU A 23 18.461 -13.956 -2.557 1.00 0.47 C ATOM 381 CG GLU A 23 19.141 -14.867 -1.535 1.00 1.13 C ATOM 382 CD GLU A 23 19.784 -16.052 -2.258 1.00 1.66 C ATOM 383 OE1 GLU A 23 20.007 -15.942 -3.452 1.00 2.30 O ATOM 384 OE2 GLU A 23 20.041 -17.051 -1.605 1.00 2.28 O ATOM 0 H GLU A 23 17.219 -12.159 -3.800 1.00 0.44 H new ATOM 0 HA GLU A 23 17.109 -13.180 -1.081 1.00 0.42 H new ATOM 0 HB2 GLU A 23 17.721 -14.520 -3.125 1.00 0.47 H new ATOM 0 HB3 GLU A 23 19.195 -13.583 -3.271 1.00 0.47 H new ATOM 0 HG2 GLU A 23 19.898 -14.310 -0.982 1.00 1.13 H new ATOM 0 HG3 GLU A 23 18.412 -15.223 -0.807 1.00 1.13 H new ATOM 391 N ILE A 24 19.340 -10.921 -1.862 1.00 0.39 N ATOM 392 CA ILE A 24 20.365 -10.023 -1.269 1.00 0.39 C ATOM 393 C ILE A 24 19.720 -9.224 -0.130 1.00 0.36 C ATOM 394 O ILE A 24 20.272 -9.104 0.945 1.00 0.37 O ATOM 395 CB ILE A 24 20.895 -9.082 -2.365 1.00 0.44 C ATOM 396 CG1 ILE A 24 21.905 -9.839 -3.236 1.00 0.52 C ATOM 397 CG2 ILE A 24 21.581 -7.866 -1.739 1.00 0.48 C ATOM 398 CD1 ILE A 24 22.201 -9.031 -4.501 1.00 0.89 C ATOM 0 H ILE A 24 19.075 -10.700 -2.822 1.00 0.39 H new ATOM 0 HA ILE A 24 21.199 -10.598 -0.868 1.00 0.39 H new ATOM 0 HB ILE A 24 20.057 -8.741 -2.973 1.00 0.44 H new ATOM 0 HG12 ILE A 24 22.826 -10.010 -2.678 1.00 0.52 H new ATOM 0 HG13 ILE A 24 21.508 -10.818 -3.503 1.00 0.52 H new ATOM 0 HG21 ILE A 24 21.950 -7.210 -2.528 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.866 -7.323 -1.121 1.00 0.48 H new ATOM 0 HG23 ILE A 24 22.416 -8.197 -1.122 1.00 0.48 H new ATOM 0 HD11 ILE A 24 22.919 -9.571 -5.118 1.00 0.89 H new ATOM 0 HD12 ILE A 24 21.279 -8.883 -5.063 1.00 0.89 H new ATOM 0 HD13 ILE A 24 22.617 -8.062 -4.225 1.00 0.89 H new ATOM 410 N LEU A 25 18.552 -8.684 -0.353 1.00 0.34 N ATOM 411 CA LEU A 25 17.881 -7.907 0.726 1.00 0.34 C ATOM 412 C LEU A 25 17.672 -8.820 1.937 1.00 0.32 C ATOM 413 O LEU A 25 17.658 -8.376 3.068 1.00 0.34 O ATOM 414 CB LEU A 25 16.523 -7.395 0.227 1.00 0.36 C ATOM 415 CG LEU A 25 16.724 -6.312 -0.850 1.00 0.38 C ATOM 416 CD1 LEU A 25 15.449 -6.175 -1.687 1.00 0.44 C ATOM 417 CD2 LEU A 25 17.035 -4.956 -0.199 1.00 0.41 C ATOM 0 H LEU A 25 18.037 -8.747 -1.231 1.00 0.34 H new ATOM 0 HA LEU A 25 18.501 -7.055 1.007 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.943 -8.222 -0.183 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.952 -6.987 1.061 1.00 0.36 H new ATOM 0 HG LEU A 25 17.560 -6.608 -1.484 1.00 0.38 H new ATOM 0 HD11 LEU A 25 15.594 -5.408 -2.448 1.00 0.44 H new ATOM 0 HD12 LEU A 25 15.226 -7.127 -2.169 1.00 0.44 H new ATOM 0 HD13 LEU A 25 14.618 -5.892 -1.041 1.00 0.44 H new ATOM 0 HD21 LEU A 25 17.174 -4.203 -0.975 1.00 0.41 H new ATOM 0 HD22 LEU A 25 16.207 -4.664 0.446 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.946 -5.038 0.394 1.00 0.41 H new ATOM 429 N ARG A 26 17.521 -10.097 1.706 1.00 0.31 N ATOM 430 CA ARG A 26 17.325 -11.047 2.838 1.00 0.33 C ATOM 431 C ARG A 26 18.679 -11.314 3.500 1.00 0.31 C ATOM 432 O ARG A 26 18.773 -11.490 4.697 1.00 0.32 O ATOM 433 CB ARG A 26 16.734 -12.366 2.313 1.00 0.38 C ATOM 434 CG ARG A 26 15.207 -12.238 2.143 1.00 0.69 C ATOM 435 CD ARG A 26 14.497 -12.541 3.471 1.00 1.00 C ATOM 436 NE ARG A 26 14.840 -13.921 3.917 1.00 1.36 N ATOM 437 CZ ARG A 26 14.603 -14.285 5.149 1.00 1.86 C ATOM 438 NH1 ARG A 26 14.081 -13.435 5.991 1.00 2.36 N ATOM 439 NH2 ARG A 26 14.890 -15.497 5.538 1.00 2.46 N ATOM 0 H ARG A 26 17.525 -10.524 0.779 1.00 0.31 H new ATOM 0 HA ARG A 26 16.637 -10.617 3.566 1.00 0.33 H new ATOM 0 HB2 ARG A 26 17.193 -12.623 1.358 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.963 -13.176 3.005 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.954 -11.232 1.809 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.861 -12.926 1.372 1.00 0.69 H new ATOM 0 HD2 ARG A 26 14.797 -11.818 4.229 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.418 -12.445 3.349 1.00 1.00 H new ATOM 0 HE ARG A 26 15.259 -14.580 3.261 1.00 1.36 H new ATOM 0 HH11 ARG A 26 13.858 -12.487 5.687 1.00 2.36 H new ATOM 0 HH12 ARG A 26 13.896 -13.719 6.953 1.00 2.36 H new ATOM 0 HH21 ARG A 26 15.299 -16.160 4.880 1.00 2.46 H new ATOM 0 HH22 ARG A 26 14.705 -15.781 6.500 1.00 2.46 H new ATOM 453 N GLN A 27 19.731 -11.320 2.731 1.00 0.31 N ATOM 454 CA GLN A 27 21.085 -11.546 3.305 1.00 0.32 C ATOM 455 C GLN A 27 21.398 -10.432 4.302 1.00 0.31 C ATOM 456 O GLN A 27 21.913 -10.668 5.376 1.00 0.33 O ATOM 457 CB GLN A 27 22.107 -11.495 2.167 1.00 0.33 C ATOM 458 CG GLN A 27 23.470 -11.965 2.680 1.00 0.99 C ATOM 459 CD GLN A 27 23.429 -13.471 2.950 1.00 1.48 C ATOM 460 OE1 GLN A 27 23.521 -13.900 4.083 1.00 2.02 O ATOM 461 NE2 GLN A 27 23.293 -14.299 1.949 1.00 2.23 N ATOM 0 H GLN A 27 19.710 -11.177 1.721 1.00 0.31 H new ATOM 0 HA GLN A 27 21.124 -12.512 3.808 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.780 -12.128 1.342 1.00 0.33 H new ATOM 0 HB3 GLN A 27 22.184 -10.479 1.779 1.00 0.33 H new ATOM 0 HG2 GLN A 27 24.243 -11.738 1.946 1.00 0.99 H new ATOM 0 HG3 GLN A 27 23.730 -11.429 3.593 1.00 0.99 H new ATOM 0 HE21 GLN A 27 23.216 -13.940 0.997 1.00 2.23 H new ATOM 0 HE22 GLN A 27 23.264 -15.304 2.119 1.00 2.23 H new ATOM 470 N GLN A 28 21.092 -9.215 3.944 1.00 0.30 N ATOM 471 CA GLN A 28 21.369 -8.073 4.857 1.00 0.31 C ATOM 472 C GLN A 28 20.404 -8.120 6.041 1.00 0.30 C ATOM 473 O GLN A 28 20.747 -7.755 7.148 1.00 0.34 O ATOM 474 CB GLN A 28 21.179 -6.758 4.095 1.00 0.33 C ATOM 475 CG GLN A 28 21.790 -5.607 4.897 1.00 1.10 C ATOM 476 CD GLN A 28 23.318 -5.686 4.834 1.00 1.61 C ATOM 477 OE1 GLN A 28 24.002 -4.901 5.459 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.886 -6.606 4.103 1.00 2.28 N ATOM 0 H GLN A 28 20.660 -8.963 3.055 1.00 0.30 H new ATOM 0 HA GLN A 28 22.394 -8.139 5.223 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.651 -6.823 3.115 1.00 0.33 H new ATOM 0 HB3 GLN A 28 20.118 -6.574 3.926 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.449 -4.652 4.497 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.456 -5.656 5.934 1.00 1.10 H new ATOM 0 HE21 GLN A 28 23.313 -7.266 3.578 1.00 2.28 H new ATOM 0 HE22 GLN A 28 24.903 -6.665 4.057 1.00 2.28 H new ATOM 487 N VAL A 29 19.199 -8.566 5.819 1.00 0.27 N ATOM 488 CA VAL A 29 18.222 -8.631 6.940 1.00 0.28 C ATOM 489 C VAL A 29 18.579 -9.810 7.851 1.00 0.30 C ATOM 490 O VAL A 29 18.703 -9.666 9.051 1.00 0.33 O ATOM 491 CB VAL A 29 16.813 -8.807 6.369 1.00 0.27 C ATOM 492 CG1 VAL A 29 15.824 -9.162 7.487 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.382 -7.501 5.696 1.00 0.27 C ATOM 0 H VAL A 29 18.850 -8.886 4.916 1.00 0.27 H new ATOM 0 HA VAL A 29 18.256 -7.710 7.522 1.00 0.28 H new ATOM 0 HB VAL A 29 16.819 -9.618 5.640 1.00 0.27 H new ATOM 0 HG11 VAL A 29 14.826 -9.284 7.065 1.00 0.30 H new ATOM 0 HG12 VAL A 29 16.133 -10.092 7.964 1.00 0.30 H new ATOM 0 HG13 VAL A 29 15.810 -8.362 8.227 1.00 0.30 H new ATOM 0 HG21 VAL A 29 15.379 -7.617 5.286 1.00 0.27 H new ATOM 0 HG22 VAL A 29 16.383 -6.696 6.430 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.077 -7.260 4.892 1.00 0.27 H new ATOM 503 N VAL A 30 18.745 -10.974 7.290 1.00 0.31 N ATOM 504 CA VAL A 30 19.093 -12.165 8.114 1.00 0.35 C ATOM 505 C VAL A 30 20.474 -11.976 8.745 1.00 0.37 C ATOM 506 O VAL A 30 20.681 -12.262 9.908 1.00 0.42 O ATOM 507 CB VAL A 30 19.123 -13.394 7.210 1.00 0.35 C ATOM 508 CG1 VAL A 30 19.509 -14.625 8.026 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.744 -13.602 6.589 1.00 0.35 C ATOM 0 H VAL A 30 18.654 -11.153 6.290 1.00 0.31 H new ATOM 0 HA VAL A 30 18.352 -12.292 8.903 1.00 0.35 H new ATOM 0 HB VAL A 30 19.858 -13.243 6.420 1.00 0.35 H new ATOM 0 HG11 VAL A 30 19.529 -15.500 7.377 1.00 0.40 H new ATOM 0 HG12 VAL A 30 20.496 -14.476 8.465 1.00 0.40 H new ATOM 0 HG13 VAL A 30 18.778 -14.779 8.820 1.00 0.40 H new ATOM 0 HG21 VAL A 30 17.764 -14.480 5.943 1.00 0.35 H new ATOM 0 HG22 VAL A 30 17.008 -13.750 7.379 1.00 0.35 H new ATOM 0 HG23 VAL A 30 17.474 -12.725 6.001 1.00 0.35 H new ATOM 519 N SER A 31 21.423 -11.514 7.981 1.00 0.36 N ATOM 520 CA SER A 31 22.798 -11.323 8.529 1.00 0.39 C ATOM 521 C SER A 31 22.749 -10.474 9.802 1.00 0.42 C ATOM 522 O SER A 31 23.566 -10.629 10.688 1.00 0.47 O ATOM 523 CB SER A 31 23.671 -10.625 7.486 1.00 0.38 C ATOM 524 OG SER A 31 23.039 -9.420 7.077 1.00 1.36 O ATOM 0 H SER A 31 21.308 -11.260 7.000 1.00 0.36 H new ATOM 0 HA SER A 31 23.220 -12.299 8.770 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.655 -10.410 7.903 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.825 -11.278 6.627 1.00 0.38 H new ATOM 0 HG SER A 31 22.263 -9.631 6.517 1.00 1.36 H new ATOM 530 N GLU A 32 21.807 -9.574 9.906 1.00 0.42 N ATOM 531 CA GLU A 32 21.728 -8.722 11.128 1.00 0.47 C ATOM 532 C GLU A 32 20.975 -9.471 12.231 1.00 0.49 C ATOM 533 O GLU A 32 20.959 -9.053 13.372 1.00 0.54 O ATOM 534 CB GLU A 32 20.995 -7.421 10.796 1.00 0.48 C ATOM 535 CG GLU A 32 21.835 -6.600 9.814 1.00 0.79 C ATOM 536 CD GLU A 32 21.006 -5.429 9.286 1.00 1.50 C ATOM 537 OE1 GLU A 32 20.178 -5.658 8.420 1.00 2.23 O ATOM 538 OE2 GLU A 32 21.214 -4.322 9.755 1.00 2.22 O ATOM 0 H GLU A 32 21.092 -9.393 9.201 1.00 0.42 H new ATOM 0 HA GLU A 32 22.735 -8.492 11.475 1.00 0.47 H new ATOM 0 HB2 GLU A 32 20.020 -7.641 10.362 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.817 -6.849 11.706 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.733 -6.229 10.309 1.00 0.79 H new ATOM 0 HG3 GLU A 32 22.164 -7.229 8.986 1.00 0.79 H new ATOM 545 N GLY A 33 20.358 -10.580 11.899 1.00 0.47 N ATOM 546 CA GLY A 33 19.605 -11.378 12.922 1.00 0.50 C ATOM 547 C GLY A 33 18.185 -11.653 12.418 1.00 0.50 C ATOM 548 O GLY A 33 17.467 -12.456 12.976 1.00 0.66 O ATOM 0 H GLY A 33 20.343 -10.970 10.957 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.121 -12.318 13.116 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.567 -10.834 13.866 1.00 0.50 H new ATOM 552 N GLY A 34 17.780 -10.990 11.367 1.00 0.43 N ATOM 553 CA GLY A 34 16.404 -11.205 10.820 1.00 0.43 C ATOM 554 C GLY A 34 15.430 -10.181 11.455 1.00 0.43 C ATOM 555 O GLY A 34 15.559 -9.004 11.184 1.00 0.41 O ATOM 0 H GLY A 34 18.343 -10.306 10.861 1.00 0.43 H new ATOM 0 HA2 GLY A 34 16.410 -11.093 9.736 1.00 0.43 H new ATOM 0 HA3 GLY A 34 16.071 -12.221 11.033 1.00 0.43 H new ATOM 559 N PRO A 35 14.481 -10.615 12.282 1.00 0.47 N ATOM 560 CA PRO A 35 13.536 -9.665 12.912 1.00 0.51 C ATOM 561 C PRO A 35 14.310 -8.583 13.682 1.00 0.52 C ATOM 562 O PRO A 35 13.964 -7.419 13.658 1.00 0.64 O ATOM 563 CB PRO A 35 12.677 -10.527 13.871 1.00 0.57 C ATOM 564 CG PRO A 35 13.108 -12.009 13.684 1.00 0.58 C ATOM 565 CD PRO A 35 14.264 -12.033 12.659 1.00 0.52 C ATOM 0 HA PRO A 35 12.917 -9.145 12.181 1.00 0.51 H new ATOM 0 HB2 PRO A 35 12.824 -10.213 14.904 1.00 0.57 H new ATOM 0 HB3 PRO A 35 11.617 -10.406 13.649 1.00 0.57 H new ATOM 0 HG2 PRO A 35 13.429 -12.437 14.634 1.00 0.58 H new ATOM 0 HG3 PRO A 35 12.270 -12.610 13.330 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.165 -12.467 13.092 1.00 0.52 H new ATOM 0 HD3 PRO A 35 14.006 -12.636 11.789 1.00 0.52 H new ATOM 573 N THR A 36 15.350 -8.971 14.367 1.00 0.50 N ATOM 574 CA THR A 36 16.151 -7.987 15.149 1.00 0.50 C ATOM 575 C THR A 36 16.964 -7.103 14.202 1.00 0.48 C ATOM 576 O THR A 36 17.772 -6.303 14.629 1.00 0.48 O ATOM 577 CB THR A 36 17.107 -8.746 16.072 1.00 0.51 C ATOM 578 OG1 THR A 36 18.060 -9.450 15.289 1.00 0.69 O ATOM 579 CG2 THR A 36 16.312 -9.734 16.927 1.00 0.80 C ATOM 0 H THR A 36 15.682 -9.934 14.419 1.00 0.50 H new ATOM 0 HA THR A 36 15.480 -7.360 15.736 1.00 0.50 H new ATOM 0 HB THR A 36 17.624 -8.041 16.722 1.00 0.51 H new ATOM 0 HG1 THR A 36 18.674 -9.935 15.879 1.00 0.69 H new ATOM 0 HG21 THR A 36 16.992 -10.275 17.585 1.00 0.80 H new ATOM 0 HG22 THR A 36 15.582 -9.191 17.527 1.00 0.80 H new ATOM 0 HG23 THR A 36 15.794 -10.441 16.279 1.00 0.80 H new ATOM 587 N ALA A 37 16.765 -7.241 12.919 1.00 0.48 N ATOM 588 CA ALA A 37 17.537 -6.406 11.957 1.00 0.48 C ATOM 589 C ALA A 37 17.101 -4.945 12.086 1.00 0.55 C ATOM 590 O ALA A 37 16.042 -4.647 12.602 1.00 1.10 O ATOM 591 CB ALA A 37 17.280 -6.896 10.531 1.00 0.42 C ATOM 0 H ALA A 37 16.104 -7.893 12.497 1.00 0.48 H new ATOM 0 HA ALA A 37 18.601 -6.487 12.178 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.846 -6.284 9.828 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.595 -7.936 10.441 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.216 -6.818 10.306 1.00 0.42 H new ATOM 597 N THR A 38 17.909 -4.031 11.623 1.00 0.45 N ATOM 598 CA THR A 38 17.542 -2.590 11.723 1.00 0.46 C ATOM 599 C THR A 38 16.249 -2.332 10.947 1.00 0.40 C ATOM 600 O THR A 38 15.929 -3.028 10.004 1.00 0.36 O ATOM 601 CB THR A 38 18.665 -1.735 11.133 1.00 0.48 C ATOM 602 OG1 THR A 38 18.854 -2.082 9.768 1.00 0.66 O ATOM 603 CG2 THR A 38 19.959 -1.980 11.908 1.00 0.66 C ATOM 0 H THR A 38 18.808 -4.220 11.180 1.00 0.45 H new ATOM 0 HA THR A 38 17.394 -2.329 12.771 1.00 0.46 H new ATOM 0 HB THR A 38 18.396 -0.681 11.207 1.00 0.48 H new ATOM 0 HG1 THR A 38 19.560 -2.758 9.697 1.00 0.66 H new ATOM 0 HG21 THR A 38 20.757 -1.370 11.486 1.00 0.66 H new ATOM 0 HG22 THR A 38 19.813 -1.712 12.954 1.00 0.66 H new ATOM 0 HG23 THR A 38 20.231 -3.033 11.838 1.00 0.66 H new ATOM 611 N ILE A 39 15.506 -1.331 11.335 1.00 0.47 N ATOM 612 CA ILE A 39 14.236 -1.019 10.620 1.00 0.45 C ATOM 613 C ILE A 39 14.547 -0.765 9.140 1.00 0.40 C ATOM 614 O ILE A 39 13.849 -1.229 8.261 1.00 0.38 O ATOM 615 CB ILE A 39 13.595 0.229 11.260 1.00 0.55 C ATOM 616 CG1 ILE A 39 12.858 -0.185 12.541 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.601 0.885 10.290 1.00 0.53 C ATOM 618 CD1 ILE A 39 12.441 1.060 13.325 1.00 0.73 C ATOM 0 H ILE A 39 15.725 -0.715 12.118 1.00 0.47 H new ATOM 0 HA ILE A 39 13.539 -1.854 10.697 1.00 0.45 H new ATOM 0 HB ILE A 39 14.380 0.948 11.494 1.00 0.55 H new ATOM 0 HG12 ILE A 39 11.979 -0.779 12.290 1.00 0.73 H new ATOM 0 HG13 ILE A 39 13.503 -0.814 13.155 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.160 1.764 10.760 1.00 0.53 H new ATOM 0 HG22 ILE A 39 13.123 1.184 9.381 1.00 0.53 H new ATOM 0 HG23 ILE A 39 11.814 0.174 10.039 1.00 0.53 H new ATOM 0 HD11 ILE A 39 11.918 0.760 14.233 1.00 0.73 H new ATOM 0 HD12 ILE A 39 13.327 1.637 13.590 1.00 0.73 H new ATOM 0 HD13 ILE A 39 11.780 1.672 12.711 1.00 0.73 H new ATOM 630 N GLN A 40 15.589 -0.034 8.861 1.00 0.42 N ATOM 631 CA GLN A 40 15.942 0.246 7.442 1.00 0.43 C ATOM 632 C GLN A 40 16.106 -1.077 6.691 1.00 0.35 C ATOM 633 O GLN A 40 15.917 -1.151 5.493 1.00 0.37 O ATOM 634 CB GLN A 40 17.253 1.035 7.382 1.00 0.53 C ATOM 635 CG GLN A 40 17.228 2.165 8.415 1.00 1.38 C ATOM 636 CD GLN A 40 15.962 3.005 8.232 1.00 1.91 C ATOM 637 OE1 GLN A 40 15.738 3.566 7.178 1.00 2.54 O ATOM 638 NE2 GLN A 40 15.119 3.116 9.223 1.00 2.43 N ATOM 0 H GLN A 40 16.211 0.382 9.554 1.00 0.42 H new ATOM 0 HA GLN A 40 15.149 0.833 6.980 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.096 0.372 7.576 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.394 1.447 6.383 1.00 0.53 H new ATOM 0 HG2 GLN A 40 17.258 1.750 9.423 1.00 1.38 H new ATOM 0 HG3 GLN A 40 18.112 2.793 8.302 1.00 1.38 H new ATOM 0 HE21 GLN A 40 15.307 2.645 10.108 1.00 2.43 H new ATOM 0 HE22 GLN A 40 14.272 3.674 9.112 1.00 2.43 H new ATOM 647 N SER A 41 16.464 -2.121 7.387 1.00 0.31 N ATOM 648 CA SER A 41 16.650 -3.439 6.713 1.00 0.28 C ATOM 649 C SER A 41 15.288 -4.014 6.322 1.00 0.24 C ATOM 650 O SER A 41 15.087 -4.452 5.206 1.00 0.25 O ATOM 651 CB SER A 41 17.355 -4.405 7.667 1.00 0.29 C ATOM 652 OG SER A 41 16.397 -4.977 8.548 1.00 1.32 O ATOM 0 H SER A 41 16.636 -2.119 8.392 1.00 0.31 H new ATOM 0 HA SER A 41 17.256 -3.303 5.817 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.860 -5.188 7.102 1.00 0.29 H new ATOM 0 HB3 SER A 41 18.121 -3.878 8.236 1.00 0.29 H new ATOM 0 HG SER A 41 16.230 -4.362 9.293 1.00 1.32 H new ATOM 658 N ARG A 42 14.349 -4.014 7.227 1.00 0.22 N ATOM 659 CA ARG A 42 13.003 -4.557 6.897 1.00 0.21 C ATOM 660 C ARG A 42 12.285 -3.573 5.973 1.00 0.20 C ATOM 661 O ARG A 42 11.568 -3.957 5.070 1.00 0.20 O ATOM 662 CB ARG A 42 12.197 -4.737 8.186 1.00 0.24 C ATOM 663 CG ARG A 42 12.844 -5.830 9.040 1.00 0.52 C ATOM 664 CD ARG A 42 12.089 -5.962 10.364 1.00 0.82 C ATOM 665 NE ARG A 42 12.201 -4.688 11.129 1.00 1.50 N ATOM 666 CZ ARG A 42 11.413 -4.465 12.145 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.533 -5.362 12.497 1.00 1.83 N ATOM 668 NH2 ARG A 42 11.506 -3.347 12.811 1.00 2.91 N ATOM 0 H ARG A 42 14.456 -3.662 8.178 1.00 0.22 H new ATOM 0 HA ARG A 42 13.102 -5.522 6.400 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.162 -3.799 8.741 1.00 0.24 H new ATOM 0 HB3 ARG A 42 11.167 -5.006 7.950 1.00 0.24 H new ATOM 0 HG2 ARG A 42 12.829 -6.780 8.505 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.890 -5.587 9.229 1.00 0.52 H new ATOM 0 HD2 ARG A 42 11.041 -6.195 10.176 1.00 0.82 H new ATOM 0 HD3 ARG A 42 12.498 -6.786 10.948 1.00 0.82 H new ATOM 0 HE ARG A 42 12.894 -3.990 10.858 1.00 1.50 H new ATOM 0 HH11 ARG A 42 10.461 -6.237 11.978 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.917 -5.188 13.291 1.00 1.83 H new ATOM 0 HH21 ARG A 42 12.195 -2.646 12.538 1.00 2.91 H new ATOM 0 HH22 ARG A 42 10.890 -3.174 13.605 1.00 2.91 H new ATOM 682 N PHE A 43 12.472 -2.303 6.202 1.00 0.22 N ATOM 683 CA PHE A 43 11.806 -1.274 5.356 1.00 0.24 C ATOM 684 C PHE A 43 12.060 -1.559 3.873 1.00 0.23 C ATOM 685 O PHE A 43 11.136 -1.683 3.090 1.00 0.23 O ATOM 686 CB PHE A 43 12.376 0.099 5.716 1.00 0.28 C ATOM 687 CG PHE A 43 11.578 1.183 5.033 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.373 1.623 5.593 1.00 1.18 C ATOM 689 CD2 PHE A 43 12.050 1.757 3.847 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.639 2.635 4.965 1.00 1.22 C ATOM 691 CE2 PHE A 43 11.317 2.770 3.221 1.00 1.48 C ATOM 692 CZ PHE A 43 10.112 3.209 3.780 1.00 0.70 C ATOM 0 H PHE A 43 13.063 -1.931 6.946 1.00 0.22 H new ATOM 0 HA PHE A 43 10.731 -1.296 5.536 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.349 0.242 6.796 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.421 0.159 5.413 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.010 1.182 6.509 1.00 1.18 H new ATOM 0 HD2 PHE A 43 12.980 1.418 3.415 1.00 1.40 H new ATOM 0 HE1 PHE A 43 8.708 2.973 5.395 1.00 1.22 H new ATOM 0 HE2 PHE A 43 11.681 3.213 2.306 1.00 1.48 H new ATOM 0 HZ PHE A 43 9.546 3.992 3.296 1.00 0.70 H new ATOM 702 N ASN A 44 13.299 -1.661 3.468 1.00 0.24 N ATOM 703 CA ASN A 44 13.590 -1.930 2.031 1.00 0.24 C ATOM 704 C ASN A 44 13.072 -3.317 1.646 1.00 0.22 C ATOM 705 O ASN A 44 12.470 -3.497 0.606 1.00 0.23 O ATOM 706 CB ASN A 44 15.104 -1.870 1.805 1.00 0.25 C ATOM 707 CG ASN A 44 15.632 -0.501 2.237 1.00 0.95 C ATOM 708 OD1 ASN A 44 15.230 0.025 3.256 1.00 1.73 O ATOM 709 ND2 ASN A 44 16.524 0.104 1.500 1.00 1.67 N ATOM 0 H ASN A 44 14.118 -1.570 4.069 1.00 0.24 H new ATOM 0 HA ASN A 44 13.094 -1.180 1.415 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.598 -2.658 2.373 1.00 0.25 H new ATOM 0 HB3 ASN A 44 15.332 -2.044 0.754 1.00 0.25 H new ATOM 0 HD21 ASN A 44 16.883 1.017 1.780 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.862 -0.336 0.644 1.00 1.67 H new ATOM 716 N TYR A 45 13.300 -4.299 2.474 1.00 0.21 N ATOM 717 CA TYR A 45 12.820 -5.671 2.151 1.00 0.20 C ATOM 718 C TYR A 45 11.320 -5.628 1.856 1.00 0.21 C ATOM 719 O TYR A 45 10.823 -6.335 1.000 1.00 0.22 O ATOM 720 CB TYR A 45 13.083 -6.593 3.342 1.00 0.20 C ATOM 721 CG TYR A 45 12.515 -7.968 3.063 1.00 0.21 C ATOM 722 CD1 TYR A 45 13.014 -8.728 1.997 1.00 1.33 C ATOM 723 CD2 TYR A 45 11.495 -8.487 3.873 1.00 1.12 C ATOM 724 CE1 TYR A 45 12.493 -10.002 1.740 1.00 1.43 C ATOM 725 CE2 TYR A 45 10.975 -9.761 3.615 1.00 1.05 C ATOM 726 CZ TYR A 45 11.474 -10.518 2.549 1.00 0.43 C ATOM 727 OH TYR A 45 10.961 -11.774 2.296 1.00 0.57 O ATOM 0 H TYR A 45 13.798 -4.210 3.360 1.00 0.21 H new ATOM 0 HA TYR A 45 13.350 -6.048 1.276 1.00 0.20 H new ATOM 0 HB2 TYR A 45 14.155 -6.664 3.529 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.629 -6.178 4.242 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.801 -8.331 1.373 1.00 1.33 H new ATOM 0 HD2 TYR A 45 11.110 -7.904 4.696 1.00 1.12 H new ATOM 0 HE1 TYR A 45 12.877 -10.587 0.917 1.00 1.43 H new ATOM 0 HE2 TYR A 45 10.189 -10.160 4.239 1.00 1.05 H new ATOM 0 HH TYR A 45 10.262 -11.980 2.951 1.00 0.57 H new ATOM 737 N ALA A 46 10.594 -4.799 2.555 1.00 0.22 N ATOM 738 CA ALA A 46 9.128 -4.706 2.315 1.00 0.24 C ATOM 739 C ALA A 46 8.874 -4.127 0.925 1.00 0.25 C ATOM 740 O ALA A 46 7.903 -4.456 0.278 1.00 0.28 O ATOM 741 CB ALA A 46 8.494 -3.795 3.367 1.00 0.26 C ATOM 0 H ALA A 46 10.954 -4.182 3.283 1.00 0.22 H new ATOM 0 HA ALA A 46 8.687 -5.701 2.382 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.421 -3.727 3.190 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.673 -4.207 4.360 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.936 -2.801 3.301 1.00 0.26 H new ATOM 747 N TRP A 47 9.731 -3.261 0.460 1.00 0.26 N ATOM 748 CA TRP A 47 9.516 -2.661 -0.887 1.00 0.29 C ATOM 749 C TRP A 47 9.662 -3.735 -1.971 1.00 0.29 C ATOM 750 O TRP A 47 8.861 -3.815 -2.880 1.00 0.29 O ATOM 751 CB TRP A 47 10.531 -1.534 -1.115 1.00 0.33 C ATOM 752 CG TRP A 47 10.434 -1.018 -2.520 1.00 0.34 C ATOM 753 CD1 TRP A 47 11.453 -1.021 -3.411 1.00 0.38 C ATOM 754 CD2 TRP A 47 9.292 -0.416 -3.210 1.00 0.35 C ATOM 755 NE1 TRP A 47 11.014 -0.469 -4.600 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.691 -0.082 -4.529 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.964 -0.131 -2.832 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.808 0.510 -5.435 1.00 0.42 C ATOM 759 CZ3 TRP A 47 7.076 0.464 -3.743 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.496 0.782 -5.041 1.00 0.44 C ATOM 0 H TRP A 47 10.567 -2.944 0.951 1.00 0.26 H new ATOM 0 HA TRP A 47 8.508 -2.249 -0.941 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.348 -0.723 -0.410 1.00 0.33 H new ATOM 0 HB3 TRP A 47 11.540 -1.901 -0.924 1.00 0.33 H new ATOM 0 HD1 TRP A 47 12.449 -1.395 -3.223 1.00 0.38 H new ATOM 0 HE1 TRP A 47 11.597 -0.361 -5.430 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.627 -0.372 -1.835 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 9.138 0.756 -6.434 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 6.062 0.678 -3.441 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.806 1.237 -5.736 1.00 0.44 H new ATOM 771 N GLY A 48 10.676 -4.555 -1.900 1.00 0.29 N ATOM 772 CA GLY A 48 10.852 -5.602 -2.946 1.00 0.30 C ATOM 773 C GLY A 48 9.593 -6.465 -3.035 1.00 0.27 C ATOM 774 O GLY A 48 9.154 -6.829 -4.108 1.00 0.29 O ATOM 0 H GLY A 48 11.386 -4.545 -1.168 1.00 0.29 H new ATOM 0 HA2 GLY A 48 11.052 -5.135 -3.910 1.00 0.30 H new ATOM 0 HA3 GLY A 48 11.714 -6.225 -2.708 1.00 0.30 H new ATOM 778 N LEU A 49 9.011 -6.800 -1.918 1.00 0.25 N ATOM 779 CA LEU A 49 7.784 -7.646 -1.944 1.00 0.24 C ATOM 780 C LEU A 49 6.634 -6.874 -2.599 1.00 0.24 C ATOM 781 O LEU A 49 5.730 -7.457 -3.164 1.00 0.29 O ATOM 782 CB LEU A 49 7.399 -8.033 -0.511 1.00 0.23 C ATOM 783 CG LEU A 49 8.523 -8.871 0.129 1.00 0.23 C ATOM 784 CD1 LEU A 49 8.371 -8.862 1.660 1.00 0.24 C ATOM 785 CD2 LEU A 49 8.455 -10.324 -0.375 1.00 0.26 C ATOM 0 H LEU A 49 9.331 -6.526 -0.989 1.00 0.25 H new ATOM 0 HA LEU A 49 7.981 -8.549 -2.522 1.00 0.24 H new ATOM 0 HB2 LEU A 49 7.221 -7.136 0.081 1.00 0.23 H new ATOM 0 HB3 LEU A 49 6.469 -8.601 -0.516 1.00 0.23 H new ATOM 0 HG LEU A 49 9.483 -8.437 -0.149 1.00 0.23 H new ATOM 0 HD11 LEU A 49 9.168 -9.456 2.108 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.433 -7.837 2.026 1.00 0.24 H new ATOM 0 HD13 LEU A 49 7.405 -9.287 1.932 1.00 0.24 H new ATOM 0 HD21 LEU A 49 9.254 -10.906 0.084 1.00 0.26 H new ATOM 0 HD22 LEU A 49 7.491 -10.757 -0.108 1.00 0.26 H new ATOM 0 HD23 LEU A 49 8.572 -10.339 -1.459 1.00 0.26 H new ATOM 797 N ILE A 50 6.658 -5.571 -2.530 1.00 0.24 N ATOM 798 CA ILE A 50 5.560 -4.775 -3.153 1.00 0.26 C ATOM 799 C ILE A 50 5.653 -4.871 -4.678 1.00 0.27 C ATOM 800 O ILE A 50 4.651 -4.927 -5.362 1.00 0.29 O ATOM 801 CB ILE A 50 5.685 -3.308 -2.725 1.00 0.28 C ATOM 802 CG1 ILE A 50 5.470 -3.186 -1.195 1.00 0.32 C ATOM 803 CG2 ILE A 50 4.653 -2.462 -3.485 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.982 -3.025 -0.857 1.00 0.73 C ATOM 0 H ILE A 50 7.387 -5.024 -2.071 1.00 0.24 H new ATOM 0 HA ILE A 50 4.599 -5.170 -2.825 1.00 0.26 H new ATOM 0 HB ILE A 50 6.684 -2.942 -2.964 1.00 0.28 H new ATOM 0 HG12 ILE A 50 5.865 -4.072 -0.697 1.00 0.32 H new ATOM 0 HG13 ILE A 50 6.027 -2.330 -0.813 1.00 0.32 H new ATOM 0 HG21 ILE A 50 4.742 -1.419 -3.180 1.00 0.32 H new ATOM 0 HG22 ILE A 50 4.834 -2.544 -4.557 1.00 0.32 H new ATOM 0 HG23 ILE A 50 3.649 -2.822 -3.258 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.861 -2.942 0.223 1.00 0.73 H new ATOM 0 HD12 ILE A 50 3.595 -2.125 -1.336 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.431 -3.893 -1.218 1.00 0.73 H new ATOM 816 N LYS A 51 6.842 -4.890 -5.224 1.00 0.28 N ATOM 817 CA LYS A 51 6.983 -4.982 -6.704 1.00 0.31 C ATOM 818 C LYS A 51 6.740 -6.423 -7.157 1.00 0.31 C ATOM 819 O LYS A 51 6.667 -6.708 -8.335 1.00 0.36 O ATOM 820 CB LYS A 51 8.397 -4.544 -7.102 1.00 0.37 C ATOM 821 CG LYS A 51 8.661 -3.118 -6.583 1.00 0.72 C ATOM 822 CD LYS A 51 9.798 -2.455 -7.376 1.00 0.79 C ATOM 823 CE LYS A 51 11.140 -3.076 -6.981 1.00 0.87 C ATOM 824 NZ LYS A 51 12.226 -2.471 -7.804 1.00 1.58 N ATOM 0 H LYS A 51 7.720 -4.846 -4.707 1.00 0.28 H new ATOM 0 HA LYS A 51 6.251 -4.332 -7.183 1.00 0.31 H new ATOM 0 HB2 LYS A 51 9.132 -5.234 -6.689 1.00 0.37 H new ATOM 0 HB3 LYS A 51 8.506 -4.573 -8.186 1.00 0.37 H new ATOM 0 HG2 LYS A 51 7.754 -2.520 -6.669 1.00 0.72 H new ATOM 0 HG3 LYS A 51 8.921 -3.153 -5.525 1.00 0.72 H new ATOM 0 HD2 LYS A 51 9.629 -2.582 -8.445 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.812 -1.383 -7.181 1.00 0.79 H new ATOM 0 HE2 LYS A 51 11.334 -2.907 -5.922 1.00 0.87 H new ATOM 0 HE3 LYS A 51 11.112 -4.155 -7.132 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 13.147 -2.829 -7.480 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 12.088 -2.726 -8.803 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 12.202 -1.436 -7.704 1.00 1.58 H new ATOM 838 N SER A 52 6.613 -7.333 -6.231 1.00 0.32 N ATOM 839 CA SER A 52 6.372 -8.753 -6.614 1.00 0.34 C ATOM 840 C SER A 52 5.082 -8.846 -7.433 1.00 0.35 C ATOM 841 O SER A 52 4.256 -7.955 -7.409 1.00 0.36 O ATOM 842 CB SER A 52 6.241 -9.605 -5.352 1.00 0.36 C ATOM 843 OG SER A 52 7.457 -9.545 -4.618 1.00 1.14 O ATOM 0 H SER A 52 6.665 -7.156 -5.228 1.00 0.32 H new ATOM 0 HA SER A 52 7.208 -9.118 -7.211 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.415 -9.244 -4.740 1.00 0.36 H new ATOM 0 HB3 SER A 52 6.014 -10.637 -5.618 1.00 0.36 H new ATOM 0 HG SER A 52 7.399 -10.139 -3.841 1.00 1.14 H new ATOM 849 N THR A 53 4.906 -9.915 -8.166 1.00 0.38 N ATOM 850 CA THR A 53 3.672 -10.063 -8.997 1.00 0.41 C ATOM 851 C THR A 53 2.595 -10.809 -8.206 1.00 0.40 C ATOM 852 O THR A 53 1.426 -10.487 -8.282 1.00 0.52 O ATOM 853 CB THR A 53 4.005 -10.852 -10.265 1.00 0.46 C ATOM 854 OG1 THR A 53 4.662 -12.060 -9.910 1.00 0.51 O ATOM 855 CG2 THR A 53 4.917 -10.014 -11.161 1.00 0.49 C ATOM 0 H THR A 53 5.563 -10.693 -8.226 1.00 0.38 H new ATOM 0 HA THR A 53 3.301 -9.074 -9.264 1.00 0.41 H new ATOM 0 HB THR A 53 3.086 -11.085 -10.803 1.00 0.46 H new ATOM 0 HG1 THR A 53 4.874 -12.567 -10.721 1.00 0.51 H new ATOM 0 HG21 THR A 53 5.155 -10.575 -12.065 1.00 0.49 H new ATOM 0 HG22 THR A 53 4.410 -9.088 -11.432 1.00 0.49 H new ATOM 0 HG23 THR A 53 5.838 -9.780 -10.626 1.00 0.49 H new ATOM 863 N ASP A 54 2.970 -11.801 -7.445 1.00 0.39 N ATOM 864 CA ASP A 54 1.950 -12.551 -6.658 1.00 0.38 C ATOM 865 C ASP A 54 1.449 -11.678 -5.504 1.00 0.37 C ATOM 866 O ASP A 54 2.140 -10.816 -4.998 1.00 0.36 O ATOM 867 CB ASP A 54 2.544 -13.857 -6.120 1.00 0.38 C ATOM 868 CG ASP A 54 3.146 -14.664 -7.271 1.00 1.31 C ATOM 869 OD1 ASP A 54 2.410 -14.999 -8.184 1.00 1.86 O ATOM 870 OD2 ASP A 54 4.334 -14.938 -7.218 1.00 2.18 O ATOM 0 H ASP A 54 3.932 -12.123 -7.334 1.00 0.39 H new ATOM 0 HA ASP A 54 1.111 -12.800 -7.308 1.00 0.38 H new ATOM 0 HB2 ASP A 54 3.310 -13.640 -5.376 1.00 0.38 H new ATOM 0 HB3 ASP A 54 1.771 -14.440 -5.620 1.00 0.38 H new ATOM 875 N VAL A 55 0.227 -11.914 -5.107 1.00 0.37 N ATOM 876 CA VAL A 55 -0.405 -11.137 -4.000 1.00 0.37 C ATOM 877 C VAL A 55 0.083 -11.662 -2.647 1.00 0.35 C ATOM 878 O VAL A 55 -0.047 -11.008 -1.632 1.00 0.35 O ATOM 879 CB VAL A 55 -1.931 -11.271 -4.107 1.00 0.39 C ATOM 880 CG1 VAL A 55 -2.386 -12.638 -3.585 1.00 0.42 C ATOM 881 CG2 VAL A 55 -2.602 -10.168 -3.288 1.00 0.40 C ATOM 0 H VAL A 55 -0.374 -12.631 -5.514 1.00 0.37 H new ATOM 0 HA VAL A 55 -0.127 -10.086 -4.080 1.00 0.37 H new ATOM 0 HB VAL A 55 -2.217 -11.179 -5.155 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -3.470 -12.717 -3.668 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -1.919 -13.427 -4.175 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -2.093 -12.744 -2.540 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -3.685 -10.265 -3.365 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -2.303 -10.258 -2.244 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -2.297 -9.194 -3.670 1.00 0.40 H new ATOM 891 N ASN A 56 0.653 -12.828 -2.632 1.00 0.34 N ATOM 892 CA ASN A 56 1.163 -13.387 -1.351 1.00 0.34 C ATOM 893 C ASN A 56 2.270 -12.472 -0.821 1.00 0.31 C ATOM 894 O ASN A 56 2.307 -12.125 0.345 1.00 0.31 O ATOM 895 CB ASN A 56 1.729 -14.787 -1.596 1.00 0.36 C ATOM 896 CG ASN A 56 0.634 -15.685 -2.176 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.360 -15.946 -1.529 1.00 2.14 O ATOM 898 ND2 ASN A 56 0.776 -16.171 -3.378 1.00 2.11 N ATOM 0 H ASN A 56 0.789 -13.421 -3.451 1.00 0.34 H new ATOM 0 HA ASN A 56 0.354 -13.450 -0.623 1.00 0.34 H new ATOM 0 HB2 ASN A 56 2.573 -14.734 -2.283 1.00 0.36 H new ATOM 0 HB3 ASN A 56 2.103 -15.208 -0.663 1.00 0.36 H new ATOM 0 HD21 ASN A 56 0.052 -16.770 -3.775 1.00 2.11 H new ATOM 0 HD22 ASN A 56 1.611 -15.952 -3.921 1.00 2.11 H new ATOM 905 N ASP A 57 3.171 -12.077 -1.676 1.00 0.30 N ATOM 906 CA ASP A 57 4.281 -11.186 -1.240 1.00 0.30 C ATOM 907 C ASP A 57 3.750 -9.770 -0.991 1.00 0.29 C ATOM 908 O ASP A 57 4.153 -9.104 -0.058 1.00 0.28 O ATOM 909 CB ASP A 57 5.347 -11.148 -2.336 1.00 0.33 C ATOM 910 CG ASP A 57 6.090 -12.485 -2.369 1.00 0.42 C ATOM 911 OD1 ASP A 57 7.045 -12.628 -1.624 1.00 1.09 O ATOM 912 OD2 ASP A 57 5.691 -13.343 -3.139 1.00 1.23 O ATOM 0 H ASP A 57 3.186 -12.334 -2.663 1.00 0.30 H new ATOM 0 HA ASP A 57 4.712 -11.568 -0.315 1.00 0.30 H new ATOM 0 HB2 ASP A 57 4.883 -10.953 -3.303 1.00 0.33 H new ATOM 0 HB3 ASP A 57 6.048 -10.334 -2.149 1.00 0.33 H new ATOM 917 N GLU A 58 2.856 -9.300 -1.819 1.00 0.33 N ATOM 918 CA GLU A 58 2.312 -7.924 -1.625 1.00 0.36 C ATOM 919 C GLU A 58 1.660 -7.817 -0.244 1.00 0.34 C ATOM 920 O GLU A 58 1.785 -6.818 0.436 1.00 0.34 O ATOM 921 CB GLU A 58 1.268 -7.628 -2.703 1.00 0.42 C ATOM 922 CG GLU A 58 1.924 -7.695 -4.084 1.00 0.92 C ATOM 923 CD GLU A 58 0.847 -7.604 -5.167 1.00 1.66 C ATOM 924 OE1 GLU A 58 -0.200 -7.043 -4.887 1.00 2.21 O ATOM 925 OE2 GLU A 58 1.087 -8.096 -6.257 1.00 2.45 O ATOM 0 H GLU A 58 2.479 -9.808 -2.620 1.00 0.33 H new ATOM 0 HA GLU A 58 3.126 -7.203 -1.699 1.00 0.36 H new ATOM 0 HB2 GLU A 58 0.452 -8.348 -2.641 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.834 -6.641 -2.543 1.00 0.42 H new ATOM 0 HG2 GLU A 58 2.639 -6.880 -4.198 1.00 0.92 H new ATOM 0 HG3 GLU A 58 2.482 -8.626 -4.188 1.00 0.92 H new ATOM 932 N ARG A 59 0.967 -8.840 0.176 1.00 0.33 N ATOM 933 CA ARG A 59 0.308 -8.799 1.513 1.00 0.34 C ATOM 934 C ARG A 59 1.372 -8.903 2.609 1.00 0.30 C ATOM 935 O ARG A 59 1.170 -8.465 3.724 1.00 0.31 O ATOM 936 CB ARG A 59 -0.675 -9.969 1.640 1.00 0.40 C ATOM 937 CG ARG A 59 -1.964 -9.647 0.878 1.00 0.68 C ATOM 938 CD ARG A 59 -2.880 -10.873 0.887 1.00 0.95 C ATOM 939 NE ARG A 59 -4.165 -10.538 0.209 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.977 -11.492 -0.156 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.668 -12.738 0.078 1.00 2.23 N ATOM 942 NH2 ARG A 59 -6.100 -11.200 -0.754 1.00 3.12 N ATOM 0 H ARG A 59 0.828 -9.703 -0.349 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.235 -7.860 1.620 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -0.225 -10.879 1.244 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -0.899 -10.156 2.690 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.470 -8.798 1.339 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -1.731 -9.361 -0.148 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -2.395 -11.706 0.379 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.069 -11.191 1.912 1.00 0.95 H new ATOM 0 HE ARG A 59 -4.409 -9.564 0.031 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.791 -12.967 0.547 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.303 -13.483 -0.208 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -6.343 -10.226 -0.936 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -6.735 -11.946 -1.039 1.00 3.12 H new ATOM 956 N LEU A 60 2.505 -9.474 2.303 1.00 0.28 N ATOM 957 CA LEU A 60 3.576 -9.596 3.333 1.00 0.27 C ATOM 958 C LEU A 60 4.253 -8.234 3.524 1.00 0.25 C ATOM 959 O LEU A 60 4.495 -7.801 4.633 1.00 0.26 O ATOM 960 CB LEU A 60 4.608 -10.631 2.867 1.00 0.29 C ATOM 961 CG LEU A 60 5.771 -10.723 3.867 1.00 0.30 C ATOM 962 CD1 LEU A 60 5.244 -11.089 5.264 1.00 0.32 C ATOM 963 CD2 LEU A 60 6.750 -11.801 3.390 1.00 0.34 C ATOM 0 H LEU A 60 2.735 -9.860 1.387 1.00 0.28 H new ATOM 0 HA LEU A 60 3.145 -9.918 4.281 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.132 -11.606 2.764 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.988 -10.356 1.883 1.00 0.29 H new ATOM 0 HG LEU A 60 6.275 -9.758 3.925 1.00 0.30 H new ATOM 0 HD11 LEU A 60 6.078 -11.151 5.963 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.544 -10.324 5.601 1.00 0.32 H new ATOM 0 HD13 LEU A 60 4.735 -12.052 5.220 1.00 0.32 H new ATOM 0 HD21 LEU A 60 7.580 -11.875 4.093 1.00 0.34 H new ATOM 0 HD22 LEU A 60 6.236 -12.760 3.333 1.00 0.34 H new ATOM 0 HD23 LEU A 60 7.132 -11.535 2.404 1.00 0.34 H new ATOM 975 N GLY A 61 4.555 -7.553 2.451 1.00 0.22 N ATOM 976 CA GLY A 61 5.210 -6.219 2.573 1.00 0.21 C ATOM 977 C GLY A 61 4.292 -5.275 3.351 1.00 0.20 C ATOM 978 O GLY A 61 4.734 -4.502 4.177 1.00 0.21 O ATOM 0 H GLY A 61 4.376 -7.863 1.496 1.00 0.22 H new ATOM 0 HA2 GLY A 61 6.168 -6.317 3.084 1.00 0.21 H new ATOM 0 HA3 GLY A 61 5.417 -5.811 1.584 1.00 0.21 H new ATOM 982 N VAL A 62 3.014 -5.336 3.093 1.00 0.20 N ATOM 983 CA VAL A 62 2.060 -4.449 3.817 1.00 0.21 C ATOM 984 C VAL A 62 2.156 -4.740 5.322 1.00 0.22 C ATOM 985 O VAL A 62 2.207 -3.839 6.136 1.00 0.25 O ATOM 986 CB VAL A 62 0.628 -4.723 3.289 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.420 -4.532 4.397 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.309 -3.768 2.128 1.00 0.31 C ATOM 0 H VAL A 62 2.589 -5.963 2.410 1.00 0.20 H new ATOM 0 HA VAL A 62 2.301 -3.399 3.649 1.00 0.21 H new ATOM 0 HB VAL A 62 0.590 -5.757 2.946 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.414 -4.731 3.996 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.214 -5.222 5.215 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.376 -3.507 4.766 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.698 -3.965 1.761 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.373 -2.737 2.477 1.00 0.31 H new ATOM 0 HG23 VAL A 62 1.026 -3.923 1.322 1.00 0.31 H new ATOM 998 N LYS A 63 2.168 -5.988 5.694 1.00 0.24 N ATOM 999 CA LYS A 63 2.246 -6.334 7.139 1.00 0.28 C ATOM 1000 C LYS A 63 3.521 -5.742 7.748 1.00 0.26 C ATOM 1001 O LYS A 63 3.518 -5.258 8.862 1.00 0.29 O ATOM 1002 CB LYS A 63 2.240 -7.859 7.292 1.00 0.33 C ATOM 1003 CG LYS A 63 2.362 -8.262 8.786 1.00 0.47 C ATOM 1004 CD LYS A 63 3.800 -8.708 9.109 1.00 0.58 C ATOM 1005 CE LYS A 63 4.003 -10.168 8.685 1.00 1.60 C ATOM 1006 NZ LYS A 63 3.415 -11.071 9.715 1.00 2.36 N ATOM 0 H LYS A 63 2.127 -6.785 5.059 1.00 0.24 H new ATOM 0 HA LYS A 63 1.386 -5.917 7.664 1.00 0.28 H new ATOM 0 HB2 LYS A 63 1.320 -8.268 6.874 1.00 0.33 H new ATOM 0 HB3 LYS A 63 3.066 -8.289 6.726 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.085 -7.419 9.420 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.666 -9.070 9.009 1.00 0.47 H new ATOM 0 HD2 LYS A 63 4.514 -8.067 8.591 1.00 0.58 H new ATOM 0 HD3 LYS A 63 3.992 -8.600 10.177 1.00 0.58 H new ATOM 0 HE2 LYS A 63 3.532 -10.346 7.718 1.00 1.60 H new ATOM 0 HE3 LYS A 63 5.066 -10.379 8.565 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 3.669 -12.056 9.499 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 3.785 -10.816 10.653 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 2.380 -10.972 9.713 1.00 2.36 H new ATOM 1020 N ILE A 64 4.608 -5.762 7.025 1.00 0.25 N ATOM 1021 CA ILE A 64 5.870 -5.183 7.569 1.00 0.25 C ATOM 1022 C ILE A 64 5.721 -3.661 7.639 1.00 0.22 C ATOM 1023 O ILE A 64 6.049 -3.038 8.630 1.00 0.22 O ATOM 1024 CB ILE A 64 7.041 -5.558 6.645 1.00 0.28 C ATOM 1025 CG1 ILE A 64 7.415 -7.026 6.873 1.00 0.33 C ATOM 1026 CG2 ILE A 64 8.259 -4.677 6.947 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.265 -7.528 5.703 1.00 0.35 C ATOM 0 H ILE A 64 4.677 -6.152 6.085 1.00 0.25 H new ATOM 0 HA ILE A 64 6.068 -5.576 8.566 1.00 0.25 H new ATOM 0 HB ILE A 64 6.738 -5.405 5.609 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.967 -7.130 7.807 1.00 0.33 H new ATOM 0 HG13 ILE A 64 6.513 -7.631 6.966 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.081 -4.953 6.286 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.000 -3.630 6.786 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.564 -4.820 7.984 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.530 -8.572 5.867 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.698 -7.439 4.777 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.174 -6.930 5.631 1.00 0.35 H new ATOM 1039 N LEU A 65 5.223 -3.062 6.595 1.00 0.20 N ATOM 1040 CA LEU A 65 5.044 -1.585 6.596 1.00 0.19 C ATOM 1041 C LEU A 65 4.165 -1.179 7.778 1.00 0.19 C ATOM 1042 O LEU A 65 4.295 -0.093 8.307 1.00 0.20 O ATOM 1043 CB LEU A 65 4.370 -1.139 5.291 1.00 0.22 C ATOM 1044 CG LEU A 65 5.368 -1.204 4.121 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.594 -1.183 2.799 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.332 -0.003 4.159 1.00 0.42 C ATOM 0 H LEU A 65 4.931 -3.533 5.739 1.00 0.20 H new ATOM 0 HA LEU A 65 6.021 -1.108 6.680 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.512 -1.777 5.081 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.992 -0.122 5.399 1.00 0.22 H new ATOM 0 HG LEU A 65 5.948 -2.123 4.207 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.295 -1.229 1.966 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.923 -2.041 2.756 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.012 -0.264 2.733 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.029 -0.069 3.323 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.762 0.923 4.084 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.888 -0.012 5.096 1.00 0.42 H new ATOM 1058 N THR A 66 3.273 -2.035 8.206 1.00 0.21 N ATOM 1059 CA THR A 66 2.397 -1.690 9.356 1.00 0.25 C ATOM 1060 C THR A 66 3.135 -1.980 10.667 1.00 0.28 C ATOM 1061 O THR A 66 2.893 -1.355 11.677 1.00 0.31 O ATOM 1062 CB THR A 66 1.114 -2.540 9.274 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.838 -2.838 7.913 1.00 0.43 O ATOM 1064 CG2 THR A 66 -0.064 -1.772 9.872 1.00 0.36 C ATOM 0 H THR A 66 3.116 -2.960 7.805 1.00 0.21 H new ATOM 0 HA THR A 66 2.137 -0.632 9.325 1.00 0.25 H new ATOM 0 HB THR A 66 1.259 -3.463 9.836 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.392 -3.593 7.625 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.965 -2.382 9.809 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.145 -1.540 10.916 1.00 0.36 H new ATOM 0 HG23 THR A 66 -0.213 -0.845 9.318 1.00 0.36 H new ATOM 1072 N ASP A 67 4.046 -2.916 10.652 1.00 0.29 N ATOM 1073 CA ASP A 67 4.804 -3.234 11.894 1.00 0.34 C ATOM 1074 C ASP A 67 5.778 -2.093 12.170 1.00 0.32 C ATOM 1075 O ASP A 67 5.923 -1.634 13.285 1.00 0.35 O ATOM 1076 CB ASP A 67 5.579 -4.541 11.707 1.00 0.40 C ATOM 1077 CG ASP A 67 4.596 -5.701 11.535 1.00 1.30 C ATOM 1078 OD1 ASP A 67 3.422 -5.433 11.337 1.00 1.94 O ATOM 1079 OD2 ASP A 67 5.033 -6.838 11.605 1.00 2.12 O ATOM 0 H ASP A 67 4.297 -3.472 9.835 1.00 0.29 H new ATOM 0 HA ASP A 67 4.117 -3.351 12.732 1.00 0.34 H new ATOM 0 HB2 ASP A 67 6.228 -4.469 10.834 1.00 0.40 H new ATOM 0 HB3 ASP A 67 6.222 -4.721 12.569 1.00 0.40 H new ATOM 1084 N ILE A 68 6.440 -1.630 11.149 1.00 0.30 N ATOM 1085 CA ILE A 68 7.408 -0.513 11.313 1.00 0.29 C ATOM 1086 C ILE A 68 6.632 0.774 11.625 1.00 0.27 C ATOM 1087 O ILE A 68 7.121 1.664 12.293 1.00 0.31 O ATOM 1088 CB ILE A 68 8.204 -0.351 10.009 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.878 -1.685 9.652 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.276 0.726 10.186 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.334 -1.661 8.192 1.00 0.35 C ATOM 0 H ILE A 68 6.350 -1.983 10.196 1.00 0.30 H new ATOM 0 HA ILE A 68 8.098 -0.722 12.130 1.00 0.29 H new ATOM 0 HB ILE A 68 7.525 -0.056 9.209 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.732 -1.858 10.307 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.182 -2.509 9.812 1.00 0.34 H new ATOM 0 HG21 ILE A 68 9.837 0.837 9.258 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.801 1.674 10.438 1.00 0.33 H new ATOM 0 HG23 ILE A 68 9.954 0.436 10.988 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.811 -2.609 7.944 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.471 -1.509 7.544 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.045 -0.848 8.046 1.00 0.35 H new ATOM 1103 N TYR A 69 5.416 0.860 11.155 1.00 0.26 N ATOM 1104 CA TYR A 69 4.587 2.070 11.430 1.00 0.26 C ATOM 1105 C TYR A 69 4.117 2.047 12.891 1.00 0.28 C ATOM 1106 O TYR A 69 3.800 3.070 13.466 1.00 0.34 O ATOM 1107 CB TYR A 69 3.371 2.078 10.499 1.00 0.29 C ATOM 1108 CG TYR A 69 2.398 3.157 10.920 1.00 0.27 C ATOM 1109 CD1 TYR A 69 1.486 2.906 11.952 1.00 1.25 C ATOM 1110 CD2 TYR A 69 2.403 4.401 10.278 1.00 1.22 C ATOM 1111 CE1 TYR A 69 0.580 3.898 12.343 1.00 1.28 C ATOM 1112 CE2 TYR A 69 1.496 5.394 10.670 1.00 1.23 C ATOM 1113 CZ TYR A 69 0.585 5.142 11.703 1.00 0.38 C ATOM 1114 OH TYR A 69 -0.310 6.119 12.089 1.00 0.47 O ATOM 0 H TYR A 69 4.960 0.143 10.591 1.00 0.26 H new ATOM 0 HA TYR A 69 5.182 2.966 11.256 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.692 2.248 9.471 1.00 0.29 H new ATOM 0 HB3 TYR A 69 2.879 1.105 10.523 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.482 1.946 12.447 1.00 1.25 H new ATOM 0 HD2 TYR A 69 3.106 4.595 9.481 1.00 1.22 H new ATOM 0 HE1 TYR A 69 -0.123 3.703 13.139 1.00 1.28 H new ATOM 0 HE2 TYR A 69 1.499 6.354 10.175 1.00 1.23 H new ATOM 0 HH TYR A 69 -0.172 6.922 11.545 1.00 0.47 H new ATOM 1124 N LYS A 70 4.051 0.886 13.488 1.00 0.31 N ATOM 1125 CA LYS A 70 3.580 0.794 14.904 1.00 0.38 C ATOM 1126 C LYS A 70 4.608 1.422 15.854 1.00 0.38 C ATOM 1127 O LYS A 70 4.245 2.044 16.833 1.00 0.45 O ATOM 1128 CB LYS A 70 3.372 -0.682 15.282 1.00 0.50 C ATOM 1129 CG LYS A 70 1.997 -1.160 14.804 1.00 0.79 C ATOM 1130 CD LYS A 70 1.857 -2.656 15.089 1.00 0.88 C ATOM 1131 CE LYS A 70 0.563 -3.179 14.465 1.00 1.50 C ATOM 1132 NZ LYS A 70 0.398 -4.621 14.805 1.00 2.26 N ATOM 0 H LYS A 70 4.303 -0.004 13.057 1.00 0.31 H new ATOM 0 HA LYS A 70 2.639 1.336 14.995 1.00 0.38 H new ATOM 0 HB2 LYS A 70 4.154 -1.294 14.833 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.452 -0.804 16.362 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.209 -0.605 15.313 1.00 0.79 H new ATOM 0 HG3 LYS A 70 1.883 -0.969 13.737 1.00 0.79 H new ATOM 0 HD2 LYS A 70 2.712 -3.195 14.682 1.00 0.88 H new ATOM 0 HD3 LYS A 70 1.851 -2.832 16.165 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -0.289 -2.607 14.834 1.00 1.50 H new ATOM 0 HE3 LYS A 70 0.590 -3.050 13.383 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.482 -4.979 14.381 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 1.206 -5.160 14.433 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.355 -4.731 15.838 1.00 2.26 H new ATOM 1146 N GLU A 71 5.884 1.273 15.585 1.00 0.40 N ATOM 1147 CA GLU A 71 6.909 1.866 16.483 1.00 0.52 C ATOM 1148 C GLU A 71 7.350 3.193 15.885 1.00 0.55 C ATOM 1149 O GLU A 71 6.587 4.137 15.834 1.00 1.13 O ATOM 1150 CB GLU A 71 8.101 0.912 16.573 1.00 0.63 C ATOM 1151 CG GLU A 71 7.701 -0.324 17.385 1.00 0.99 C ATOM 1152 CD GLU A 71 6.642 -1.119 16.618 1.00 1.55 C ATOM 1153 OE1 GLU A 71 6.888 -1.436 15.466 1.00 2.27 O ATOM 1154 OE2 GLU A 71 5.604 -1.397 17.196 1.00 2.13 O ATOM 0 H GLU A 71 6.253 0.765 14.781 1.00 0.40 H new ATOM 0 HA GLU A 71 6.505 2.026 17.483 1.00 0.52 H new ATOM 0 HB2 GLU A 71 8.421 0.617 15.574 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.947 1.412 17.044 1.00 0.63 H new ATOM 0 HG2 GLU A 71 8.575 -0.948 17.571 1.00 0.99 H new ATOM 0 HG3 GLU A 71 7.311 -0.023 18.357 1.00 0.99 H new ATOM 1161 N ALA A 72 8.583 3.265 15.444 1.00 0.59 N ATOM 1162 CA ALA A 72 9.174 4.503 14.836 1.00 0.57 C ATOM 1163 C ALA A 72 8.178 5.634 14.592 1.00 0.65 C ATOM 1164 O ALA A 72 7.758 5.864 13.477 1.00 1.23 O ATOM 1165 CB ALA A 72 9.823 4.127 13.501 1.00 0.60 C ATOM 0 H ALA A 72 9.233 2.480 15.483 1.00 0.59 H new ATOM 0 HA ALA A 72 9.894 4.884 15.560 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.258 5.016 13.045 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.605 3.387 13.672 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.068 3.709 12.834 1.00 0.60 H new ATOM 1171 N GLU A 73 7.819 6.357 15.620 1.00 0.71 N ATOM 1172 CA GLU A 73 6.884 7.505 15.445 1.00 0.77 C ATOM 1173 C GLU A 73 7.576 8.558 14.552 1.00 0.65 C ATOM 1174 O GLU A 73 7.771 9.690 14.951 1.00 1.06 O ATOM 1175 CB GLU A 73 6.596 8.118 16.818 1.00 1.08 C ATOM 1176 CG GLU A 73 6.047 7.037 17.751 1.00 1.79 C ATOM 1177 CD GLU A 73 5.799 7.635 19.137 1.00 2.15 C ATOM 1178 OE1 GLU A 73 6.739 8.161 19.710 1.00 2.62 O ATOM 1179 OE2 GLU A 73 4.674 7.555 19.602 1.00 2.60 O ATOM 0 H GLU A 73 8.135 6.200 16.577 1.00 0.71 H new ATOM 0 HA GLU A 73 5.951 7.177 14.987 1.00 0.77 H new ATOM 0 HB2 GLU A 73 7.507 8.546 17.236 1.00 1.08 H new ATOM 0 HB3 GLU A 73 5.876 8.931 16.722 1.00 1.08 H new ATOM 0 HG2 GLU A 73 5.120 6.631 17.348 1.00 1.79 H new ATOM 0 HG3 GLU A 73 6.753 6.210 17.821 1.00 1.79 H new ATOM 1186 N SER A 74 7.969 8.184 13.356 1.00 0.75 N ATOM 1187 CA SER A 74 8.672 9.144 12.441 1.00 0.62 C ATOM 1188 C SER A 74 8.699 8.570 11.013 1.00 0.55 C ATOM 1189 O SER A 74 7.978 9.028 10.150 1.00 0.63 O ATOM 1190 CB SER A 74 10.103 9.361 12.933 1.00 0.82 C ATOM 1191 OG SER A 74 10.071 10.021 14.191 1.00 1.55 O ATOM 0 H SER A 74 7.832 7.249 12.971 1.00 0.75 H new ATOM 0 HA SER A 74 8.141 10.096 12.437 1.00 0.62 H new ATOM 0 HB2 SER A 74 10.618 8.404 13.024 1.00 0.82 H new ATOM 0 HB3 SER A 74 10.662 9.956 12.211 1.00 0.82 H new ATOM 0 HG SER A 74 9.169 10.366 14.357 1.00 1.55 H new ATOM 1197 N ARG A 75 9.525 7.570 10.754 1.00 0.48 N ATOM 1198 CA ARG A 75 9.587 6.955 9.385 1.00 0.45 C ATOM 1199 C ARG A 75 8.165 6.723 8.837 1.00 0.42 C ATOM 1200 O ARG A 75 7.978 6.422 7.675 1.00 0.50 O ATOM 1201 CB ARG A 75 10.301 5.600 9.477 1.00 0.52 C ATOM 1202 CG ARG A 75 11.684 5.770 10.124 1.00 0.81 C ATOM 1203 CD ARG A 75 12.639 6.498 9.166 1.00 1.10 C ATOM 1204 NE ARG A 75 14.057 6.126 9.483 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.530 6.206 10.701 1.00 2.08 C ATOM 1206 NH1 ARG A 75 13.850 6.801 11.641 1.00 2.63 N ATOM 1207 NH2 ARG A 75 15.721 5.742 10.962 1.00 2.72 N ATOM 0 H ARG A 75 10.159 7.156 11.437 1.00 0.48 H new ATOM 0 HA ARG A 75 10.126 7.630 8.719 1.00 0.45 H new ATOM 0 HB2 ARG A 75 9.701 4.904 10.063 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.408 5.169 8.482 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.591 6.333 11.052 1.00 0.81 H new ATOM 0 HG3 ARG A 75 12.093 4.794 10.383 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.406 6.234 8.135 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.507 7.576 9.256 1.00 1.10 H new ATOM 0 HE ARG A 75 14.667 5.803 8.732 1.00 1.49 H new ATOM 0 HH11 ARG A 75 12.940 7.210 11.431 1.00 2.63 H new ATOM 0 HH12 ARG A 75 14.228 6.857 12.587 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.278 5.320 10.219 1.00 2.72 H new ATOM 0 HH22 ARG A 75 16.095 5.801 11.909 1.00 2.72 H new ATOM 1221 N ARG A 76 7.172 6.876 9.667 1.00 0.41 N ATOM 1222 CA ARG A 76 5.770 6.684 9.204 1.00 0.47 C ATOM 1223 C ARG A 76 5.543 7.522 7.940 1.00 0.43 C ATOM 1224 O ARG A 76 4.796 7.143 7.059 1.00 0.45 O ATOM 1225 CB ARG A 76 4.802 7.130 10.299 1.00 0.57 C ATOM 1226 CG ARG A 76 5.150 6.411 11.603 1.00 1.08 C ATOM 1227 CD ARG A 76 4.152 6.809 12.691 1.00 1.14 C ATOM 1228 NE ARG A 76 4.390 8.226 13.085 1.00 1.76 N ATOM 1229 CZ ARG A 76 3.493 8.869 13.781 1.00 2.01 C ATOM 1230 NH1 ARG A 76 2.390 8.268 14.136 1.00 1.55 N ATOM 1231 NH2 ARG A 76 3.699 10.111 14.123 1.00 3.05 N ATOM 0 H ARG A 76 7.272 7.127 10.651 1.00 0.41 H new ATOM 0 HA ARG A 76 5.596 5.631 8.983 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.864 8.209 10.438 1.00 0.57 H new ATOM 0 HB3 ARG A 76 3.776 6.904 10.008 1.00 0.57 H new ATOM 0 HG2 ARG A 76 5.127 5.332 11.452 1.00 1.08 H new ATOM 0 HG3 ARG A 76 6.163 6.668 11.913 1.00 1.08 H new ATOM 0 HD2 ARG A 76 3.132 6.688 12.327 1.00 1.14 H new ATOM 0 HD3 ARG A 76 4.261 6.156 13.557 1.00 1.14 H new ATOM 0 HE ARG A 76 5.254 8.693 12.811 1.00 1.76 H new ATOM 0 HH11 ARG A 76 2.230 7.297 13.869 1.00 1.55 H new ATOM 0 HH12 ARG A 76 1.688 8.770 14.680 1.00 1.55 H new ATOM 0 HH21 ARG A 76 4.562 10.580 13.846 1.00 3.05 H new ATOM 0 HH22 ARG A 76 2.997 10.613 14.667 1.00 3.05 H new ATOM 1245 N ARG A 77 6.173 8.665 7.849 1.00 0.40 N ATOM 1246 CA ARG A 77 5.981 9.531 6.649 1.00 0.43 C ATOM 1247 C ARG A 77 6.193 8.706 5.378 1.00 0.39 C ATOM 1248 O ARG A 77 5.371 8.707 4.480 1.00 0.39 O ATOM 1249 CB ARG A 77 7.001 10.673 6.675 1.00 0.48 C ATOM 1250 CG ARG A 77 6.758 11.555 7.905 1.00 1.10 C ATOM 1251 CD ARG A 77 7.748 12.740 7.919 1.00 1.24 C ATOM 1252 NE ARG A 77 8.230 12.982 9.316 1.00 1.80 N ATOM 1253 CZ ARG A 77 7.397 13.026 10.324 1.00 2.30 C ATOM 1254 NH1 ARG A 77 6.109 12.996 10.123 1.00 2.43 N ATOM 1255 NH2 ARG A 77 7.858 13.147 11.539 1.00 3.22 N ATOM 0 H ARG A 77 6.811 9.035 8.553 1.00 0.40 H new ATOM 0 HA ARG A 77 4.969 9.936 6.659 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.013 10.269 6.699 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.918 11.269 5.766 1.00 0.48 H new ATOM 0 HG2 ARG A 77 5.734 11.928 7.897 1.00 1.10 H new ATOM 0 HG3 ARG A 77 6.875 10.964 8.813 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.593 12.527 7.265 1.00 1.24 H new ATOM 0 HD3 ARG A 77 7.263 13.636 7.532 1.00 1.24 H new ATOM 0 HE ARG A 77 9.227 13.115 9.485 1.00 1.80 H new ATOM 0 HH11 ARG A 77 5.742 12.938 9.173 1.00 2.43 H new ATOM 0 HH12 ARG A 77 5.468 13.031 10.916 1.00 2.43 H new ATOM 0 HH21 ARG A 77 8.864 13.207 11.699 1.00 3.22 H new ATOM 0 HH22 ARG A 77 7.213 13.182 12.328 1.00 3.22 H new ATOM 1269 N GLU A 78 7.282 7.998 5.291 1.00 0.36 N ATOM 1270 CA GLU A 78 7.531 7.178 4.077 1.00 0.36 C ATOM 1271 C GLU A 78 6.584 5.979 4.074 1.00 0.30 C ATOM 1272 O GLU A 78 6.138 5.533 3.037 1.00 0.32 O ATOM 1273 CB GLU A 78 8.981 6.683 4.075 1.00 0.40 C ATOM 1274 CG GLU A 78 9.916 7.828 4.469 1.00 0.91 C ATOM 1275 CD GLU A 78 9.714 9.005 3.513 1.00 1.56 C ATOM 1276 OE1 GLU A 78 9.758 8.783 2.314 1.00 2.33 O ATOM 1277 OE2 GLU A 78 9.521 10.108 3.996 1.00 2.13 O ATOM 0 H GLU A 78 8.008 7.952 6.006 1.00 0.36 H new ATOM 0 HA GLU A 78 7.357 7.785 3.189 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.093 5.853 4.772 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.246 6.308 3.087 1.00 0.40 H new ATOM 0 HG2 GLU A 78 9.714 8.140 5.494 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.953 7.493 4.436 1.00 0.91 H new ATOM 1284 N CYS A 79 6.256 5.461 5.226 1.00 0.27 N ATOM 1285 CA CYS A 79 5.330 4.297 5.280 1.00 0.25 C ATOM 1286 C CYS A 79 3.980 4.692 4.680 1.00 0.23 C ATOM 1287 O CYS A 79 3.420 3.985 3.867 1.00 0.24 O ATOM 1288 CB CYS A 79 5.146 3.866 6.738 1.00 0.29 C ATOM 1289 SG CYS A 79 4.515 2.171 6.791 1.00 1.19 S ATOM 0 H CYS A 79 6.589 5.794 6.131 1.00 0.27 H new ATOM 0 HA CYS A 79 5.746 3.468 4.708 1.00 0.25 H new ATOM 0 HB2 CYS A 79 6.096 3.929 7.269 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.453 4.539 7.243 1.00 0.29 H new ATOM 0 HG CYS A 79 4.842 1.621 7.923 1.00 1.19 H new ATOM 1295 N LEU A 80 3.454 5.820 5.071 1.00 0.23 N ATOM 1296 CA LEU A 80 2.143 6.256 4.517 1.00 0.23 C ATOM 1297 C LEU A 80 2.228 6.270 2.990 1.00 0.21 C ATOM 1298 O LEU A 80 1.317 5.849 2.305 1.00 0.21 O ATOM 1299 CB LEU A 80 1.810 7.664 5.027 1.00 0.26 C ATOM 1300 CG LEU A 80 1.627 7.642 6.555 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.740 9.066 7.105 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.246 7.081 6.922 1.00 0.42 C ATOM 0 H LEU A 80 3.874 6.456 5.748 1.00 0.23 H new ATOM 0 HA LEU A 80 1.361 5.567 4.836 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.609 8.355 4.758 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.900 8.027 4.549 1.00 0.26 H new ATOM 0 HG LEU A 80 2.401 7.008 6.987 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.610 9.049 8.187 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.722 9.472 6.863 1.00 0.34 H new ATOM 0 HD13 LEU A 80 0.968 9.692 6.657 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.133 7.072 8.006 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.530 7.707 6.481 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.153 6.065 6.539 1.00 0.42 H new ATOM 1314 N TYR A 81 3.314 6.750 2.450 1.00 0.22 N ATOM 1315 CA TYR A 81 3.453 6.789 0.965 1.00 0.23 C ATOM 1316 C TYR A 81 3.521 5.362 0.410 1.00 0.22 C ATOM 1317 O TYR A 81 2.808 5.011 -0.510 1.00 0.22 O ATOM 1318 CB TYR A 81 4.732 7.540 0.592 1.00 0.26 C ATOM 1319 CG TYR A 81 4.770 7.756 -0.901 1.00 0.30 C ATOM 1320 CD1 TYR A 81 5.289 6.761 -1.739 1.00 1.05 C ATOM 1321 CD2 TYR A 81 4.288 8.950 -1.449 1.00 1.26 C ATOM 1322 CE1 TYR A 81 5.324 6.961 -3.125 1.00 1.04 C ATOM 1323 CE2 TYR A 81 4.322 9.150 -2.834 1.00 1.31 C ATOM 1324 CZ TYR A 81 4.841 8.155 -3.672 1.00 0.46 C ATOM 1325 OH TYR A 81 4.875 8.352 -5.037 1.00 0.55 O ATOM 0 H TYR A 81 4.111 7.117 2.971 1.00 0.22 H new ATOM 0 HA TYR A 81 2.590 7.300 0.538 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.768 8.498 1.110 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.606 6.972 0.911 1.00 0.26 H new ATOM 0 HD1 TYR A 81 5.662 5.840 -1.317 1.00 1.05 H new ATOM 0 HD2 TYR A 81 3.889 9.718 -0.803 1.00 1.26 H new ATOM 0 HE1 TYR A 81 5.724 6.194 -3.771 1.00 1.04 H new ATOM 0 HE2 TYR A 81 3.948 10.071 -3.256 1.00 1.31 H new ATOM 0 HH TYR A 81 5.724 8.017 -5.395 1.00 0.55 H new ATOM 1335 N TYR A 82 4.377 4.538 0.954 1.00 0.23 N ATOM 1336 CA TYR A 82 4.491 3.135 0.446 1.00 0.23 C ATOM 1337 C TYR A 82 3.207 2.347 0.751 1.00 0.22 C ATOM 1338 O TYR A 82 2.851 1.439 0.025 1.00 0.24 O ATOM 1339 CB TYR A 82 5.689 2.438 1.108 1.00 0.25 C ATOM 1340 CG TYR A 82 6.972 2.853 0.418 1.00 0.25 C ATOM 1341 CD1 TYR A 82 7.274 2.359 -0.857 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.856 3.729 1.053 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.460 2.743 -1.493 1.00 1.33 C ATOM 1344 CE2 TYR A 82 9.041 4.114 0.418 1.00 1.12 C ATOM 1345 CZ TYR A 82 9.344 3.621 -0.855 1.00 0.31 C ATOM 1346 OH TYR A 82 10.514 4.001 -1.481 1.00 0.36 O ATOM 0 H TYR A 82 5.001 4.773 1.726 1.00 0.23 H new ATOM 0 HA TYR A 82 4.638 3.167 -0.634 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.734 2.699 2.165 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.569 1.356 1.051 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.592 1.682 -1.349 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.624 4.110 2.037 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.693 2.362 -2.476 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.722 4.792 0.911 1.00 1.12 H new ATOM 0 HH TYR A 82 11.011 4.614 -0.901 1.00 0.36 H new ATOM 1356 N LEU A 83 2.498 2.678 1.800 1.00 0.21 N ATOM 1357 CA LEU A 83 1.246 1.931 2.100 1.00 0.20 C ATOM 1358 C LEU A 83 0.215 2.263 1.030 1.00 0.20 C ATOM 1359 O LEU A 83 -0.522 1.402 0.591 1.00 0.25 O ATOM 1360 CB LEU A 83 0.722 2.317 3.492 1.00 0.20 C ATOM 1361 CG LEU A 83 1.527 1.577 4.584 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.400 2.322 5.917 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.996 0.146 4.770 1.00 0.25 C ATOM 0 H LEU A 83 2.731 3.426 2.454 1.00 0.21 H new ATOM 0 HA LEU A 83 1.441 0.859 2.098 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.805 3.394 3.635 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.335 2.065 3.574 1.00 0.20 H new ATOM 0 HG LEU A 83 2.571 1.539 4.271 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.969 1.796 6.683 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.789 3.334 5.807 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.351 2.366 6.211 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.575 -0.359 5.543 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.052 0.183 5.067 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.088 -0.401 3.832 1.00 0.25 H new ATOM 1375 N THR A 84 0.156 3.487 0.570 1.00 0.19 N ATOM 1376 CA THR A 84 -0.819 3.824 -0.496 1.00 0.19 C ATOM 1377 C THR A 84 -0.503 2.962 -1.719 1.00 0.22 C ATOM 1378 O THR A 84 -1.384 2.451 -2.382 1.00 0.24 O ATOM 1379 CB THR A 84 -0.655 5.309 -0.847 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.666 6.077 0.349 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.795 5.767 -1.756 1.00 0.18 C ATOM 0 H THR A 84 0.740 4.260 0.888 1.00 0.19 H new ATOM 0 HA THR A 84 -1.842 3.638 -0.169 1.00 0.19 H new ATOM 0 HB THR A 84 0.291 5.449 -1.370 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.187 5.964 0.818 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.666 6.822 -1.997 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.786 5.181 -2.675 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.747 5.625 -1.245 1.00 0.18 H new ATOM 1389 N ILE A 85 0.759 2.793 -2.011 1.00 0.23 N ATOM 1390 CA ILE A 85 1.155 1.958 -3.179 1.00 0.27 C ATOM 1391 C ILE A 85 0.863 0.491 -2.866 1.00 0.29 C ATOM 1392 O ILE A 85 0.257 -0.213 -3.650 1.00 0.31 O ATOM 1393 CB ILE A 85 2.657 2.114 -3.447 1.00 0.29 C ATOM 1394 CG1 ILE A 85 3.047 3.606 -3.537 1.00 0.31 C ATOM 1395 CG2 ILE A 85 3.020 1.389 -4.743 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.522 4.253 -4.830 1.00 0.61 C ATOM 0 H ILE A 85 1.535 3.199 -1.488 1.00 0.23 H new ATOM 0 HA ILE A 85 0.592 2.278 -4.056 1.00 0.27 H new ATOM 0 HB ILE A 85 3.211 1.672 -2.619 1.00 0.29 H new ATOM 0 HG12 ILE A 85 2.647 4.139 -2.675 1.00 0.31 H new ATOM 0 HG13 ILE A 85 4.132 3.702 -3.496 1.00 0.31 H new ATOM 0 HG21 ILE A 85 4.087 1.499 -4.935 1.00 0.32 H new ATOM 0 HG22 ILE A 85 2.775 0.331 -4.649 1.00 0.32 H new ATOM 0 HG23 ILE A 85 2.456 1.819 -5.571 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.816 5.302 -4.857 1.00 0.61 H new ATOM 0 HD12 ILE A 85 2.942 3.736 -5.692 1.00 0.61 H new ATOM 0 HD13 ILE A 85 1.435 4.180 -4.858 1.00 0.61 H new ATOM 1408 N GLY A 86 1.288 0.024 -1.725 1.00 0.30 N ATOM 1409 CA GLY A 86 1.033 -1.395 -1.364 1.00 0.33 C ATOM 1410 C GLY A 86 -0.471 -1.623 -1.267 1.00 0.33 C ATOM 1411 O GLY A 86 -0.964 -2.702 -1.531 1.00 0.39 O ATOM 0 H GLY A 86 1.801 0.565 -1.028 1.00 0.30 H new ATOM 0 HA2 GLY A 86 1.466 -2.057 -2.114 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.511 -1.633 -0.414 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.209 -0.616 -0.886 1.00 0.29 N ATOM 1416 CA CYS A 87 -2.677 -0.783 -0.771 1.00 0.30 C ATOM 1417 C CYS A 87 -3.306 -0.760 -2.168 1.00 0.35 C ATOM 1418 O CYS A 87 -4.190 -1.535 -2.473 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.255 0.352 0.075 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.683 0.180 1.784 1.00 1.29 S ATOM 0 H CYS A 87 -0.856 0.311 -0.651 1.00 0.29 H new ATOM 0 HA CYS A 87 -2.899 -1.737 -0.293 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -2.944 1.316 -0.329 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.344 0.328 0.040 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.509 0.725 1.906 1.00 1.29 H new ATOM 1426 N TYR A 88 -2.869 0.136 -3.015 1.00 0.33 N ATOM 1427 CA TYR A 88 -3.450 0.226 -4.386 1.00 0.40 C ATOM 1428 C TYR A 88 -3.358 -1.127 -5.101 1.00 0.43 C ATOM 1429 O TYR A 88 -4.192 -1.460 -5.920 1.00 0.52 O ATOM 1430 CB TYR A 88 -2.675 1.274 -5.187 1.00 0.46 C ATOM 1431 CG TYR A 88 -3.370 1.520 -6.504 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -4.374 2.491 -6.595 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -3.008 0.778 -7.634 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -5.017 2.720 -7.818 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -3.651 1.006 -8.856 1.00 1.28 C ATOM 1436 CZ TYR A 88 -4.655 1.978 -8.948 1.00 0.59 C ATOM 1437 OH TYR A 88 -5.288 2.203 -10.154 1.00 0.66 O ATOM 0 H TYR A 88 -2.132 0.812 -2.814 1.00 0.33 H new ATOM 0 HA TYR A 88 -4.500 0.509 -4.308 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -2.608 2.203 -4.621 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -1.655 0.932 -5.361 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -4.653 3.063 -5.723 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -2.233 0.030 -7.563 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -5.792 3.469 -7.889 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -3.373 0.432 -9.728 1.00 1.28 H new ATOM 0 HH TYR A 88 -4.917 1.604 -10.835 1.00 0.66 H new ATOM 1447 N LYS A 89 -2.353 -1.907 -4.810 1.00 0.43 N ATOM 1448 CA LYS A 89 -2.219 -3.231 -5.489 1.00 0.51 C ATOM 1449 C LYS A 89 -3.229 -4.217 -4.899 1.00 0.36 C ATOM 1450 O LYS A 89 -3.645 -5.158 -5.545 1.00 0.37 O ATOM 1451 CB LYS A 89 -0.795 -3.763 -5.294 1.00 0.70 C ATOM 1452 CG LYS A 89 0.212 -2.853 -6.028 1.00 1.00 C ATOM 1453 CD LYS A 89 0.351 -3.281 -7.505 1.00 1.24 C ATOM 1454 CE LYS A 89 1.419 -4.372 -7.638 1.00 1.56 C ATOM 1455 NZ LYS A 89 1.442 -4.876 -9.040 1.00 2.05 N ATOM 0 H LYS A 89 -1.621 -1.688 -4.135 1.00 0.43 H new ATOM 0 HA LYS A 89 -2.416 -3.115 -6.555 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -0.555 -3.803 -4.232 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -0.723 -4.782 -5.675 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -0.119 -1.816 -5.973 1.00 1.00 H new ATOM 0 HG3 LYS A 89 1.183 -2.904 -5.536 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.605 -3.650 -7.877 1.00 1.24 H new ATOM 0 HD3 LYS A 89 0.621 -2.421 -8.117 1.00 1.24 H new ATOM 0 HE2 LYS A 89 2.397 -3.974 -7.367 1.00 1.56 H new ATOM 0 HE3 LYS A 89 1.206 -5.190 -6.950 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 2.167 -5.616 -9.131 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 0.511 -5.271 -9.282 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 1.665 -4.093 -9.687 1.00 2.05 H new ATOM 1469 N LEU A 90 -3.644 -3.990 -3.682 1.00 0.32 N ATOM 1470 CA LEU A 90 -4.652 -4.886 -3.035 1.00 0.47 C ATOM 1471 C LEU A 90 -5.998 -4.168 -3.048 1.00 0.56 C ATOM 1472 O LEU A 90 -6.886 -4.482 -2.282 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.252 -5.158 -1.579 1.00 0.55 C ATOM 1474 CG LEU A 90 -2.808 -5.664 -1.506 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.380 -5.753 -0.039 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -2.709 -7.052 -2.151 1.00 0.56 C ATOM 0 H LEU A 90 -3.326 -3.215 -3.101 1.00 0.32 H new ATOM 0 HA LEU A 90 -4.707 -5.832 -3.574 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.354 -4.246 -0.991 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -4.925 -5.896 -1.142 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.155 -4.974 -2.041 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.353 -6.113 0.019 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.445 -4.766 0.420 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.037 -6.443 0.490 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -1.680 -7.406 -2.096 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.361 -7.747 -1.621 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.016 -6.991 -3.195 1.00 0.56 H new ATOM 1488 N GLY A 91 -6.141 -3.181 -3.894 1.00 0.56 N ATOM 1489 CA GLY A 91 -7.401 -2.388 -3.955 1.00 0.91 C ATOM 1490 C GLY A 91 -8.004 -2.159 -2.576 1.00 0.69 C ATOM 1491 O GLY A 91 -9.189 -1.920 -2.448 1.00 0.69 O ATOM 0 H GLY A 91 -5.423 -2.887 -4.557 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -7.200 -1.426 -4.426 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -8.124 -2.906 -4.584 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.208 -2.140 -1.548 1.00 0.54 N ATOM 1496 CA GLU A 92 -7.762 -1.819 -0.208 1.00 0.42 C ATOM 1497 C GLU A 92 -7.812 -0.294 -0.141 1.00 0.34 C ATOM 1498 O GLU A 92 -7.399 0.318 0.825 1.00 0.39 O ATOM 1499 CB GLU A 92 -6.826 -2.348 0.881 1.00 0.44 C ATOM 1500 CG GLU A 92 -6.970 -3.865 0.990 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.027 -4.389 2.073 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -5.892 -3.723 3.086 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -5.455 -5.447 1.871 1.00 2.18 O ATOM 0 H GLU A 92 -6.206 -2.331 -1.576 1.00 0.54 H new ATOM 0 HA GLU A 92 -8.743 -2.269 -0.057 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -5.794 -2.087 0.646 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.063 -1.881 1.837 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.000 -4.127 1.232 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.738 -4.333 0.033 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.261 0.325 -1.206 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.277 1.812 -1.257 1.00 0.31 C ATOM 1512 C TYR A 93 -8.812 2.406 0.043 1.00 0.25 C ATOM 1513 O TYR A 93 -8.636 3.582 0.288 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.126 2.322 -2.432 1.00 0.41 C ATOM 1515 CG TYR A 93 -8.883 1.500 -3.677 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -7.754 1.742 -4.469 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -9.803 0.512 -4.053 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -7.543 0.993 -5.634 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -9.593 -0.234 -5.218 1.00 1.57 C ATOM 1520 CZ TYR A 93 -8.464 0.006 -6.009 1.00 0.95 C ATOM 1521 OH TYR A 93 -8.256 -0.732 -7.156 1.00 1.19 O ATOM 0 H TYR A 93 -8.617 -0.140 -2.041 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.245 2.134 -1.398 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.182 2.281 -2.166 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -8.888 3.367 -2.630 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.046 2.506 -4.182 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -10.675 0.326 -3.443 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -6.670 1.176 -6.243 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -10.303 -0.995 -5.507 1.00 1.57 H new ATOM 0 HH TYR A 93 -8.988 -1.374 -7.269 1.00 1.19 H new ATOM 1531 N SER A 94 -9.435 1.650 0.906 1.00 0.24 N ATOM 1532 CA SER A 94 -9.921 2.258 2.169 1.00 0.28 C ATOM 1533 C SER A 94 -8.720 2.715 2.990 1.00 0.29 C ATOM 1534 O SER A 94 -8.701 3.801 3.534 1.00 0.39 O ATOM 1535 CB SER A 94 -10.711 1.205 2.946 1.00 0.30 C ATOM 1536 OG SER A 94 -10.914 1.653 4.278 1.00 1.12 O ATOM 0 H SER A 94 -9.624 0.654 0.791 1.00 0.24 H new ATOM 0 HA SER A 94 -10.562 3.114 1.960 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.671 1.024 2.462 1.00 0.30 H new ATOM 0 HB3 SER A 94 -10.171 0.258 2.948 1.00 0.30 H new ATOM 0 HG SER A 94 -11.422 0.979 4.776 1.00 1.12 H new ATOM 1542 N MET A 95 -7.711 1.894 3.074 1.00 0.27 N ATOM 1543 CA MET A 95 -6.501 2.276 3.849 1.00 0.36 C ATOM 1544 C MET A 95 -5.670 3.259 3.020 1.00 0.26 C ATOM 1545 O MET A 95 -5.091 4.192 3.536 1.00 0.26 O ATOM 1546 CB MET A 95 -5.681 1.007 4.159 1.00 0.48 C ATOM 1547 CG MET A 95 -6.036 0.485 5.556 1.00 0.81 C ATOM 1548 SD MET A 95 -5.571 -1.259 5.686 1.00 1.25 S ATOM 1549 CE MET A 95 -7.038 -1.808 6.590 1.00 0.83 C ATOM 0 H MET A 95 -7.673 0.973 2.638 1.00 0.27 H new ATOM 0 HA MET A 95 -6.785 2.753 4.787 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.885 0.240 3.412 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.615 1.230 4.104 1.00 0.48 H new ATOM 0 HG2 MET A 95 -5.517 1.068 6.316 1.00 0.81 H new ATOM 0 HG3 MET A 95 -7.104 0.602 5.739 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.966 -2.878 6.784 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.104 -1.271 7.536 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.929 -1.606 5.995 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.601 3.055 1.741 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.806 3.985 0.902 1.00 0.20 C ATOM 1561 C ALA A 96 -5.367 5.406 1.070 1.00 0.18 C ATOM 1562 O ALA A 96 -4.632 6.365 1.200 1.00 0.19 O ATOM 1563 CB ALA A 96 -4.889 3.545 -0.567 1.00 0.23 C ATOM 0 H ALA A 96 -6.056 2.291 1.242 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.761 3.973 1.210 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.305 4.227 -1.185 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.492 2.535 -0.667 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -5.929 3.560 -0.893 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.669 5.545 1.044 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.299 6.895 1.173 1.00 0.21 C ATOM 1571 C LYS A 97 -7.009 7.543 2.527 1.00 0.21 C ATOM 1572 O LYS A 97 -6.662 8.705 2.585 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.817 6.767 1.007 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.453 8.169 0.810 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.810 8.252 1.534 1.00 0.78 C ATOM 1576 CE LYS A 97 -10.592 8.593 3.013 1.00 1.07 C ATOM 1577 NZ LYS A 97 -11.863 8.390 3.764 1.00 2.10 N ATOM 0 H LYS A 97 -7.328 4.774 0.938 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.872 7.528 0.395 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.045 6.132 0.150 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.247 6.284 1.885 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.781 8.937 1.194 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.589 8.367 -0.253 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.436 9.011 1.065 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.338 7.303 1.445 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -9.806 7.963 3.430 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.259 9.626 3.113 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -11.714 8.621 4.767 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.601 9.009 3.371 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -12.162 7.398 3.678 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.177 6.860 3.629 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.926 7.533 4.938 1.00 0.25 C ATOM 1593 C ARG A 98 -5.431 7.803 5.140 1.00 0.20 C ATOM 1594 O ARG A 98 -5.056 8.802 5.720 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.451 6.646 6.078 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.573 5.402 6.214 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.278 4.360 7.089 1.00 1.28 C ATOM 1598 NE ARG A 98 -7.549 4.946 8.432 1.00 1.90 N ATOM 1599 CZ ARG A 98 -8.375 4.353 9.250 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.951 3.236 8.902 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -8.621 4.877 10.420 1.00 3.20 N ATOM 0 H ARG A 98 -7.471 5.885 3.681 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.449 8.489 4.942 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.453 7.205 7.014 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -8.482 6.354 5.879 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -6.366 4.983 5.229 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -5.613 5.670 6.655 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.211 4.047 6.621 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.656 3.470 7.187 1.00 1.28 H new ATOM 0 HE ARG A 98 -7.088 5.812 8.712 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.756 2.824 7.989 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -9.596 2.774 9.543 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -8.168 5.749 10.694 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -9.266 4.415 11.060 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.566 6.933 4.688 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.111 7.191 4.898 1.00 0.22 C ATOM 1617 C TYR A 99 -2.647 8.315 3.962 1.00 0.19 C ATOM 1618 O TYR A 99 -2.065 9.290 4.395 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.292 5.919 4.606 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.507 4.844 5.672 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -2.365 5.137 7.044 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.827 3.532 5.279 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -2.550 4.132 8.000 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -3.006 2.531 6.244 1.00 1.34 C ATOM 1625 CZ TYR A 99 -2.870 2.832 7.601 1.00 0.40 C ATOM 1626 OH TYR A 99 -3.046 1.844 8.548 1.00 0.47 O ATOM 0 H TYR A 99 -4.797 6.072 4.192 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.955 7.485 5.936 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.572 5.523 3.630 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.233 6.173 4.555 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -2.113 6.139 7.358 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.935 3.295 4.231 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -2.445 4.362 9.050 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -3.250 1.525 5.937 1.00 1.34 H new ATOM 0 HH TYR A 99 -3.265 0.999 8.102 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.890 8.187 2.688 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.446 9.254 1.746 1.00 0.19 C ATOM 1638 C VAL A 100 -3.003 10.601 2.219 1.00 0.21 C ATOM 1639 O VAL A 100 -2.395 11.636 2.033 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.927 8.946 0.322 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.435 9.170 0.210 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.203 9.866 -0.663 1.00 0.20 C ATOM 0 H VAL A 100 -3.373 7.397 2.260 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.357 9.296 1.732 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.708 7.904 0.090 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.761 8.947 -0.806 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.953 8.514 0.910 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.667 10.208 0.446 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.541 9.652 -1.677 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.423 10.905 -0.419 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.128 9.697 -0.596 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.152 10.592 2.840 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.741 11.869 3.335 1.00 0.27 C ATOM 1654 C ASP A 101 -3.811 12.474 4.389 1.00 0.26 C ATOM 1655 O ASP A 101 -3.463 13.637 4.333 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.109 11.590 3.964 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.720 12.901 4.463 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.508 13.915 3.818 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.391 12.869 5.482 1.00 1.79 O ATOM 0 H ASP A 101 -4.707 9.757 3.026 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.859 12.565 2.505 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.769 11.124 3.232 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.004 10.888 4.791 1.00 0.30 H new ATOM 1664 N THR A 102 -3.406 11.690 5.352 1.00 0.25 N ATOM 1665 CA THR A 102 -2.499 12.210 6.414 1.00 0.26 C ATOM 1666 C THR A 102 -1.220 12.762 5.780 1.00 0.26 C ATOM 1667 O THR A 102 -0.805 13.869 6.061 1.00 0.27 O ATOM 1668 CB THR A 102 -2.138 11.072 7.371 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.327 10.449 7.835 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.353 11.628 8.560 1.00 0.29 C ATOM 0 H THR A 102 -3.666 10.708 5.448 1.00 0.25 H new ATOM 0 HA THR A 102 -3.003 13.007 6.960 1.00 0.26 H new ATOM 0 HB THR A 102 -1.525 10.339 6.847 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.096 9.719 8.447 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.098 10.815 9.240 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.439 12.103 8.203 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.962 12.363 9.086 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.589 11.997 4.932 1.00 0.25 N ATOM 1679 CA LEU A 103 0.666 12.477 4.289 1.00 0.27 C ATOM 1680 C LEU A 103 0.361 13.690 3.409 1.00 0.29 C ATOM 1681 O LEU A 103 1.081 14.669 3.421 1.00 0.31 O ATOM 1682 CB LEU A 103 1.263 11.355 3.429 1.00 0.29 C ATOM 1683 CG LEU A 103 2.668 11.750 2.928 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.719 11.496 4.018 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.026 10.915 1.694 1.00 0.41 C ATOM 0 H LEU A 103 -0.888 11.061 4.657 1.00 0.25 H new ATOM 0 HA LEU A 103 1.381 12.762 5.060 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.323 10.435 4.011 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.611 11.153 2.579 1.00 0.29 H new ATOM 0 HG LEU A 103 2.660 12.811 2.676 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.704 11.780 3.647 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.479 12.089 4.900 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.722 10.438 4.281 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.019 11.195 1.341 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.019 9.857 1.956 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.296 11.099 0.906 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.688 13.636 2.634 1.00 0.29 N ATOM 1698 CA PHE A 104 -1.008 14.793 1.752 1.00 0.32 C ATOM 1699 C PHE A 104 -1.291 16.021 2.623 1.00 0.37 C ATOM 1700 O PHE A 104 -1.074 17.145 2.217 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.225 14.448 0.879 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.818 15.706 0.273 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.039 16.508 -0.569 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -4.144 16.067 0.554 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -2.584 17.670 -1.130 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -4.687 17.228 -0.007 1.00 1.29 C ATOM 1707 CZ PHE A 104 -3.908 18.030 -0.849 1.00 0.60 C ATOM 0 H PHE A 104 -1.332 12.847 2.574 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.166 15.014 1.097 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.928 13.761 0.087 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.978 13.937 1.479 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -1.018 16.231 -0.786 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -4.746 15.449 1.203 1.00 1.23 H new ATOM 0 HE1 PHE A 104 -1.983 18.289 -1.780 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -5.708 17.506 0.210 1.00 1.29 H new ATOM 0 HZ PHE A 104 -4.328 18.926 -1.282 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.772 15.816 3.819 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.062 16.973 4.708 1.00 0.52 C ATOM 1719 C GLU A 105 -0.749 17.689 5.041 1.00 0.56 C ATOM 1720 O GLU A 105 -0.680 18.900 5.039 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.713 16.457 5.997 1.00 0.58 C ATOM 1722 CG GLU A 105 -3.181 17.633 6.862 1.00 1.20 C ATOM 1723 CD GLU A 105 -1.988 18.230 7.614 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -1.363 17.501 8.367 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -1.722 19.405 7.425 1.00 2.47 O ATOM 0 H GLU A 105 -1.976 14.899 4.217 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.738 17.670 4.212 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -3.560 15.816 5.754 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -2.001 15.847 6.554 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -3.646 18.394 6.236 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.938 17.297 7.570 1.00 1.20 H new ATOM 1838 N GLN A 112 2.712 15.661 -7.402 1.00 0.54 N ATOM 1839 CA GLN A 112 2.908 14.202 -7.628 1.00 0.49 C ATOM 1840 C GLN A 112 2.071 13.424 -6.614 1.00 0.39 C ATOM 1841 O GLN A 112 1.596 12.339 -6.882 1.00 0.37 O ATOM 1842 CB GLN A 112 4.392 13.864 -7.438 1.00 0.54 C ATOM 1843 CG GLN A 112 4.789 14.103 -5.976 1.00 1.05 C ATOM 1844 CD GLN A 112 6.314 14.163 -5.858 1.00 1.82 C ATOM 1845 OE1 GLN A 112 7.011 14.226 -6.851 1.00 2.54 O ATOM 1846 NE2 GLN A 112 6.866 14.146 -4.675 1.00 2.56 N ATOM 0 HA GLN A 112 2.598 13.933 -8.638 1.00 0.49 H new ATOM 0 HB2 GLN A 112 4.577 12.825 -7.711 1.00 0.54 H new ATOM 0 HB3 GLN A 112 5.003 14.480 -8.097 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.350 15.034 -5.618 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.397 13.303 -5.347 1.00 1.05 H new ATOM 0 HE21 GLN A 112 6.282 14.093 -3.840 1.00 2.56 H new ATOM 0 HE22 GLN A 112 7.881 14.186 -4.585 1.00 2.56 H new ATOM 1855 N VAL A 113 1.876 13.988 -5.456 1.00 0.37 N ATOM 1856 CA VAL A 113 1.055 13.306 -4.421 1.00 0.32 C ATOM 1857 C VAL A 113 -0.411 13.452 -4.820 1.00 0.32 C ATOM 1858 O VAL A 113 -1.156 12.494 -4.876 1.00 0.30 O ATOM 1859 CB VAL A 113 1.294 13.970 -3.062 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.323 13.395 -2.030 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.732 13.701 -2.611 1.00 0.40 C ATOM 0 H VAL A 113 2.252 14.896 -5.182 1.00 0.37 H new ATOM 0 HA VAL A 113 1.324 12.252 -4.346 1.00 0.32 H new ATOM 0 HB VAL A 113 1.132 15.044 -3.151 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.496 13.870 -1.064 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.702 13.585 -2.349 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.482 12.320 -1.940 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.904 14.173 -1.644 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.891 12.626 -2.524 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.426 14.112 -3.344 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.818 14.657 -5.103 1.00 0.37 N ATOM 1872 CA GLY A 114 -2.231 14.889 -5.508 1.00 0.40 C ATOM 1873 C GLY A 114 -2.581 13.924 -6.642 1.00 0.38 C ATOM 1874 O GLY A 114 -3.719 13.536 -6.811 1.00 0.38 O ATOM 0 H GLY A 114 -0.233 15.492 -5.071 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.898 14.733 -4.660 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -2.366 15.920 -5.834 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.605 13.526 -7.413 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.876 12.575 -8.529 1.00 0.38 C ATOM 1880 C ALA A 115 -2.043 11.158 -7.960 1.00 0.33 C ATOM 1881 O ALA A 115 -3.002 10.468 -8.263 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.714 12.616 -9.525 1.00 0.43 C ATOM 0 H ALA A 115 -0.632 13.818 -7.318 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.793 12.859 -9.045 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.910 11.921 -10.342 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.612 13.625 -9.924 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.209 12.331 -9.020 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.150 10.714 -7.126 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.319 9.350 -6.554 1.00 0.29 C ATOM 1890 C LEU A 116 -2.671 9.304 -5.840 1.00 0.26 C ATOM 1891 O LEU A 116 -3.446 8.381 -5.999 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.187 9.062 -5.559 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.414 7.710 -4.865 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.545 6.591 -5.909 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.778 7.418 -3.947 1.00 0.68 C ATOM 0 H LEU A 116 -0.323 11.225 -6.818 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.284 8.597 -7.342 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.770 9.054 -6.080 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.138 9.856 -4.814 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.334 7.753 -4.282 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -0.705 5.639 -5.403 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.391 6.801 -6.564 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.368 6.538 -6.502 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.628 6.460 -3.449 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.692 7.379 -4.539 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.863 8.206 -3.199 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.958 10.309 -5.057 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.255 10.350 -4.328 1.00 0.28 C ATOM 1909 C LYS A 117 -5.406 10.321 -5.338 1.00 0.28 C ATOM 1910 O LYS A 117 -6.491 9.859 -5.044 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.325 11.641 -3.505 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.583 11.641 -2.634 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.573 12.879 -1.731 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.868 12.935 -0.917 1.00 1.44 C ATOM 1915 NZ LYS A 117 -6.785 14.050 0.069 1.00 2.16 N ATOM 0 H LYS A 117 -2.345 11.107 -4.891 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.335 9.488 -3.665 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.438 11.730 -2.877 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.333 12.505 -4.169 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.474 11.642 -3.262 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.620 10.735 -2.029 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.713 12.846 -1.062 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -5.473 13.781 -2.335 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -7.721 13.083 -1.579 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -7.027 11.989 -0.400 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -6.912 13.674 1.030 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -5.854 14.508 -0.003 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -7.530 14.747 -0.132 1.00 2.16 H new ATOM 1929 N SER A 118 -5.183 10.827 -6.524 1.00 0.29 N ATOM 1930 CA SER A 118 -6.270 10.843 -7.545 1.00 0.31 C ATOM 1931 C SER A 118 -6.650 9.418 -7.950 1.00 0.29 C ATOM 1932 O SER A 118 -7.786 9.156 -8.277 1.00 0.30 O ATOM 1933 CB SER A 118 -5.813 11.614 -8.784 1.00 0.34 C ATOM 1934 OG SER A 118 -5.348 12.898 -8.394 1.00 1.35 O ATOM 0 H SER A 118 -4.296 11.229 -6.828 1.00 0.29 H new ATOM 0 HA SER A 118 -7.141 11.333 -7.109 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.020 11.067 -9.294 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.638 11.712 -9.490 1.00 0.34 H new ATOM 0 HG SER A 118 -4.511 12.804 -7.892 1.00 1.35 H new ATOM 1940 N MET A 119 -5.738 8.479 -7.913 1.00 0.26 N ATOM 1941 CA MET A 119 -6.125 7.082 -8.284 1.00 0.25 C ATOM 1942 C MET A 119 -6.967 6.504 -7.142 1.00 0.23 C ATOM 1943 O MET A 119 -7.978 5.862 -7.346 1.00 0.24 O ATOM 1944 CB MET A 119 -4.861 6.222 -8.494 1.00 0.26 C ATOM 1945 CG MET A 119 -3.742 7.055 -9.151 1.00 0.61 C ATOM 1946 SD MET A 119 -2.760 6.001 -10.249 1.00 1.03 S ATOM 1947 CE MET A 119 -1.370 7.139 -10.468 1.00 0.69 C ATOM 0 H MET A 119 -4.762 8.613 -7.648 1.00 0.26 H new ATOM 0 HA MET A 119 -6.697 7.083 -9.212 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.517 5.832 -7.536 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.099 5.363 -9.122 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.174 7.881 -9.715 1.00 0.61 H new ATOM 0 HG3 MET A 119 -3.103 7.493 -8.384 1.00 0.61 H new ATOM 0 HE1 MET A 119 -0.628 6.685 -11.124 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.727 8.068 -10.912 1.00 0.69 H new ATOM 0 HE3 MET A 119 -0.917 7.351 -9.499 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.548 6.769 -5.941 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.282 6.303 -4.732 1.00 0.20 C ATOM 1959 C VAL A 120 -8.665 6.955 -4.645 1.00 0.22 C ATOM 1960 O VAL A 120 -9.661 6.278 -4.485 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.482 6.715 -3.500 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.146 6.133 -2.252 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.054 6.177 -3.613 1.00 0.23 C ATOM 0 H VAL A 120 -5.704 7.304 -5.739 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.404 5.221 -4.788 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.454 7.802 -3.429 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.578 6.424 -1.368 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.164 6.513 -2.171 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.170 5.046 -2.326 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.483 6.472 -2.732 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.079 5.089 -3.682 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.581 6.586 -4.506 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.746 8.252 -4.724 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.082 8.909 -4.618 1.00 0.29 C ATOM 1975 C GLU A 121 -10.896 8.641 -5.882 1.00 0.28 C ATOM 1976 O GLU A 121 -12.102 8.500 -5.833 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.901 10.418 -4.436 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.447 10.708 -3.005 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.613 10.475 -2.043 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -11.705 10.212 -2.520 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -10.395 10.563 -0.846 1.00 2.20 O ATOM 0 H GLU A 121 -7.955 8.883 -4.856 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.612 8.501 -3.758 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.165 10.795 -5.146 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.838 10.935 -4.644 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -8.609 10.063 -2.740 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.096 11.737 -2.925 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.257 8.566 -7.012 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.019 8.303 -8.259 1.00 0.30 C ATOM 1990 C ASP A 122 -11.542 6.869 -8.236 1.00 0.28 C ATOM 1991 O ASP A 122 -12.635 6.600 -8.675 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.117 8.497 -9.481 1.00 0.34 C ATOM 1993 CG ASP A 122 -10.924 8.245 -10.757 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.037 7.094 -11.146 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -11.416 9.207 -11.323 1.00 1.89 O ATOM 0 H ASP A 122 -9.249 8.674 -7.126 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.854 9.001 -8.321 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.710 9.508 -9.489 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.270 7.813 -9.433 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.777 5.938 -7.736 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.258 4.529 -7.717 1.00 0.27 C ATOM 2002 C LYS A 123 -12.326 4.334 -6.635 1.00 0.26 C ATOM 2003 O LYS A 123 -13.220 3.526 -6.791 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.079 3.581 -7.459 1.00 0.27 C ATOM 2005 CG LYS A 123 -9.138 3.559 -8.681 1.00 0.93 C ATOM 2006 CD LYS A 123 -9.646 2.561 -9.745 1.00 1.10 C ATOM 2007 CE LYS A 123 -9.122 1.153 -9.448 1.00 1.43 C ATOM 2008 NZ LYS A 123 -7.642 1.129 -9.613 1.00 1.95 N ATOM 0 H LYS A 123 -9.848 6.090 -7.343 1.00 0.27 H new ATOM 0 HA LYS A 123 -11.702 4.302 -8.686 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.530 3.903 -6.574 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.448 2.576 -7.257 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -9.073 4.557 -9.114 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -8.132 3.282 -8.366 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.736 2.556 -9.757 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -9.318 2.877 -10.735 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -9.390 0.860 -8.433 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -9.585 0.431 -10.121 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -7.385 0.428 -10.337 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -7.310 2.070 -9.908 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -7.196 0.872 -8.709 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.274 5.067 -5.548 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.330 4.887 -4.508 1.00 0.29 C ATOM 2024 C ILE A 124 -14.586 5.636 -4.971 1.00 0.35 C ATOM 2025 O ILE A 124 -15.697 5.316 -4.598 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.842 5.431 -3.160 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.711 4.537 -2.637 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.001 5.424 -2.161 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.102 5.147 -1.368 1.00 0.30 C ATOM 0 H ILE A 124 -11.562 5.767 -5.340 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.557 3.829 -4.377 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.476 6.450 -3.284 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.095 3.540 -2.423 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -10.942 4.425 -3.401 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.657 5.810 -1.202 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.809 6.052 -2.536 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.364 4.404 -2.032 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.300 4.505 -1.004 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.701 6.135 -1.595 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.872 5.235 -0.601 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.399 6.623 -5.803 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.536 7.421 -6.349 1.00 0.40 C ATOM 2043 C GLN A 125 -16.115 6.749 -7.595 1.00 0.43 C ATOM 2044 O GLN A 125 -17.313 6.600 -7.733 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.009 8.802 -6.750 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.760 9.631 -5.493 1.00 1.22 C ATOM 2047 CD GLN A 125 -14.043 10.929 -5.866 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -13.417 11.551 -5.032 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -14.108 11.366 -7.094 1.00 2.64 N ATOM 0 H GLN A 125 -13.481 6.918 -6.136 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.314 7.498 -5.589 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.086 8.700 -7.321 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.729 9.306 -7.395 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.706 9.855 -5.000 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.158 9.063 -4.784 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -14.634 10.843 -7.794 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -13.633 12.230 -7.354 1.00 2.64 H new