USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 Single : A 12 SER OG : rot 150:sc= -0.0514 USER MOD Single : A 14 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.83) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.53) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 46 GLN : amide:sc= -0.539 K(o=-0.54,f=-4.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 147:sc= -0.432 (180deg=-1.78!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 63:sc= -0.989 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0382) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -2.52 (180deg=-3.33!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -129:sc= -0.475 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.116 20.371 6.711 1.00 0.00 N ATOM 120 CA SER A 12 -6.370 20.076 5.306 1.00 0.00 C ATOM 121 C SER A 12 -7.130 18.762 5.154 1.00 0.00 C ATOM 122 O SER A 12 -7.084 17.886 6.018 1.00 0.00 O ATOM 123 CB SER A 12 -5.052 20.008 4.531 1.00 0.00 C ATOM 124 OG SER A 12 -4.562 21.306 4.243 1.00 0.00 O ATOM 0 HA SER A 12 -6.983 20.879 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.313 19.458 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.201 19.458 3.602 1.00 0.00 H new ATOM 0 HG SER A 12 -3.583 21.285 4.205 1.00 0.00 H new ATOM 130 N PRO A 13 -7.849 18.621 4.030 1.00 0.00 N ATOM 131 CA PRO A 13 -8.633 17.418 3.738 1.00 0.00 C ATOM 132 C PRO A 13 -7.752 16.209 3.443 1.00 0.00 C ATOM 133 O PRO A 13 -7.940 15.137 4.016 1.00 0.00 O ATOM 134 CB PRO A 13 -9.435 17.811 2.495 1.00 0.00 C ATOM 135 CG PRO A 13 -8.625 18.877 1.842 1.00 0.00 C ATOM 136 CD PRO A 13 -7.950 19.625 2.958 1.00 0.00 C ATOM 0 HA PRO A 13 -9.251 17.119 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.577 16.959 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.427 18.176 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.891 18.447 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.257 19.542 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.969 19.993 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.533 20.491 3.272 1.00 0.00 H new ATOM 144 N ASN A 14 -6.788 16.390 2.545 1.00 0.00 N ATOM 145 CA ASN A 14 -5.878 15.313 2.174 1.00 0.00 C ATOM 146 C ASN A 14 -5.127 14.790 3.396 1.00 0.00 C ATOM 147 O ASN A 14 -4.962 13.581 3.566 1.00 0.00 O ATOM 148 CB ASN A 14 -4.882 15.799 1.120 1.00 0.00 C ATOM 149 CG ASN A 14 -4.407 14.680 0.213 1.00 0.00 C ATOM 150 OD1 ASN A 14 -3.356 14.083 0.444 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.182 14.392 -0.826 1.00 0.00 N ATOM 0 H ASN A 14 -6.618 17.272 2.062 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.470 14.499 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.347 16.579 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.023 16.250 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.914 13.649 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.045 14.914 -0.978 1.00 0.00 H new ATOM 158 N LEU A 15 -4.675 15.708 4.243 1.00 0.00 N ATOM 159 CA LEU A 15 -3.943 15.341 5.450 1.00 0.00 C ATOM 160 C LEU A 15 -4.837 14.570 6.416 1.00 0.00 C ATOM 161 O LEU A 15 -4.445 13.527 6.940 1.00 0.00 O ATOM 162 CB LEU A 15 -3.390 16.592 6.135 1.00 0.00 C ATOM 163 CG LEU A 15 -2.609 16.358 7.429 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.386 15.494 7.166 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.202 17.685 8.053 1.00 0.00 C ATOM 0 H LEU A 15 -4.803 16.712 4.116 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.113 14.697 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.740 17.111 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.223 17.261 6.352 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.256 15.832 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.843 15.338 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.701 14.531 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.736 15.992 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.647 17.500 8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.573 18.238 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.094 18.270 8.279 1.00 0.00 H new ATOM 177 N GLN A 16 -6.038 15.089 6.645 1.00 0.00 N ATOM 178 CA GLN A 16 -6.988 14.449 7.547 1.00 0.00 C ATOM 179 C GLN A 16 -7.186 12.982 7.177 1.00 0.00 C ATOM 180 O GLN A 16 -7.157 12.104 8.039 1.00 0.00 O ATOM 181 CB GLN A 16 -8.330 15.181 7.512 1.00 0.00 C ATOM 182 CG GLN A 16 -9.376 14.579 8.437 1.00 0.00 C ATOM 183 CD GLN A 16 -9.119 14.899 9.896 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.361 16.017 10.350 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.625 13.916 10.640 1.00 0.00 N ATOM 0 H GLN A 16 -6.377 15.951 6.218 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.581 14.499 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.173 16.224 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.712 15.173 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.361 14.951 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.394 13.497 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.439 13.004 10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.431 14.073 11.629 1.00 0.00 H new ATOM 194 N LYS A 17 -7.386 12.724 5.889 1.00 0.00 N ATOM 195 CA LYS A 17 -7.588 11.364 5.404 1.00 0.00 C ATOM 196 C LYS A 17 -6.394 10.480 5.748 1.00 0.00 C ATOM 197 O LYS A 17 -6.557 9.325 6.138 1.00 0.00 O ATOM 198 CB LYS A 17 -7.813 11.369 3.890 1.00 0.00 C ATOM 199 CG LYS A 17 -7.892 9.980 3.282 1.00 0.00 C ATOM 200 CD LYS A 17 -8.786 9.959 2.054 1.00 0.00 C ATOM 201 CE LYS A 17 -9.443 8.600 1.866 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.734 8.501 2.603 1.00 0.00 N ATOM 0 H LYS A 17 -7.413 13.439 5.162 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.472 10.957 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.736 11.906 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.003 11.920 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.891 9.643 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.274 9.278 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.555 10.726 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.198 10.205 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.617 8.424 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.766 7.819 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.150 7.560 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.565 8.643 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.389 9.230 2.255 1.00 0.00 H new ATOM 216 N ALA A 18 -5.193 11.032 5.602 1.00 0.00 N ATOM 217 CA ALA A 18 -3.972 10.295 5.901 1.00 0.00 C ATOM 218 C ALA A 18 -3.944 9.848 7.359 1.00 0.00 C ATOM 219 O ALA A 18 -3.600 8.705 7.660 1.00 0.00 O ATOM 220 CB ALA A 18 -2.751 11.146 5.584 1.00 0.00 C ATOM 0 H ALA A 18 -5.040 11.987 5.278 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.952 9.403 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.846 10.583 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.757 11.411 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.775 12.054 6.186 1.00 0.00 H new ATOM 226 N ILE A 19 -4.306 10.757 8.258 1.00 0.00 N ATOM 227 CA ILE A 19 -4.322 10.455 9.684 1.00 0.00 C ATOM 228 C ILE A 19 -5.254 9.287 9.989 1.00 0.00 C ATOM 229 O ILE A 19 -4.838 8.280 10.561 1.00 0.00 O ATOM 230 CB ILE A 19 -4.760 11.676 10.514 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.755 12.818 10.350 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.904 11.297 11.980 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.337 14.182 10.648 1.00 0.00 C ATOM 0 H ILE A 19 -4.592 11.708 8.024 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.303 10.185 9.960 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.730 12.015 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.906 12.642 11.011 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.372 12.810 9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.214 12.171 12.553 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.654 10.512 12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.948 10.936 12.358 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.569 14.943 10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.168 14.379 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.695 14.208 11.677 1.00 0.00 H new ATOM 245 N ASP A 20 -6.516 9.428 9.600 1.00 0.00 N ATOM 246 CA ASP A 20 -7.508 8.384 9.828 1.00 0.00 C ATOM 247 C ASP A 20 -7.029 7.048 9.269 1.00 0.00 C ATOM 248 O ASP A 20 -7.114 6.017 9.938 1.00 0.00 O ATOM 249 CB ASP A 20 -8.843 8.770 9.188 1.00 0.00 C ATOM 250 CG ASP A 20 -10.027 8.137 9.893 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.325 8.545 11.035 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.656 7.236 9.301 1.00 0.00 O ATOM 0 H ASP A 20 -6.877 10.256 9.125 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.647 8.278 10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.951 9.855 9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.842 8.466 8.141 1.00 0.00 H new ATOM 257 N LEU A 21 -6.527 7.073 8.040 1.00 0.00 N ATOM 258 CA LEU A 21 -6.034 5.863 7.390 1.00 0.00 C ATOM 259 C LEU A 21 -4.964 5.186 8.239 1.00 0.00 C ATOM 260 O LEU A 21 -5.060 3.998 8.545 1.00 0.00 O ATOM 261 CB LEU A 21 -5.470 6.197 6.008 1.00 0.00 C ATOM 262 CG LEU A 21 -6.497 6.523 4.924 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.813 7.106 3.697 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.293 5.281 4.552 1.00 0.00 C ATOM 0 H LEU A 21 -6.450 7.917 7.473 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.871 5.174 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.796 7.048 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.870 5.353 5.669 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.187 7.269 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.561 7.332 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.289 8.021 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.099 6.384 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.019 5.532 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.616 4.513 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.815 4.906 5.432 1.00 0.00 H new ATOM 276 N ALA A 22 -3.945 5.950 8.618 1.00 0.00 N ATOM 277 CA ALA A 22 -2.859 5.425 9.436 1.00 0.00 C ATOM 278 C ALA A 22 -3.388 4.832 10.737 1.00 0.00 C ATOM 279 O ALA A 22 -2.917 3.790 11.193 1.00 0.00 O ATOM 280 CB ALA A 22 -1.841 6.518 9.727 1.00 0.00 C ATOM 0 H ALA A 22 -3.849 6.935 8.371 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.370 4.628 8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.036 6.112 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.431 6.892 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.326 7.334 10.262 1.00 0.00 H new ATOM 286 N SER A 23 -4.369 5.504 11.332 1.00 0.00 N ATOM 287 CA SER A 23 -4.960 5.046 12.584 1.00 0.00 C ATOM 288 C SER A 23 -5.667 3.708 12.393 1.00 0.00 C ATOM 289 O SER A 23 -5.462 2.768 13.162 1.00 0.00 O ATOM 290 CB SER A 23 -5.946 6.086 13.118 1.00 0.00 C ATOM 291 OG SER A 23 -6.184 5.900 14.502 1.00 0.00 O ATOM 0 H SER A 23 -4.771 6.367 10.967 1.00 0.00 H new ATOM 0 HA SER A 23 -4.157 4.912 13.309 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.552 7.088 12.945 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.886 6.014 12.571 1.00 0.00 H new ATOM 0 HG SER A 23 -6.816 6.578 14.819 1.00 0.00 H new ATOM 297 N LYS A 24 -6.502 3.629 11.363 1.00 0.00 N ATOM 298 CA LYS A 24 -7.241 2.407 11.068 1.00 0.00 C ATOM 299 C LYS A 24 -6.294 1.219 10.926 1.00 0.00 C ATOM 300 O LYS A 24 -6.509 0.168 11.529 1.00 0.00 O ATOM 301 CB LYS A 24 -8.058 2.577 9.784 1.00 0.00 C ATOM 302 CG LYS A 24 -9.332 1.752 9.760 1.00 0.00 C ATOM 303 CD LYS A 24 -10.231 2.148 8.601 1.00 0.00 C ATOM 304 CE LYS A 24 -11.696 1.888 8.917 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.046 0.447 8.779 1.00 0.00 N ATOM 0 H LYS A 24 -6.684 4.398 10.718 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.918 2.213 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.314 3.630 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.439 2.300 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.080 0.694 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.869 1.883 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.089 3.204 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.945 1.589 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.913 2.219 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.322 2.479 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.053 0.311 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.863 0.137 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.467 -0.115 9.435 1.00 0.00 H new ATOM 319 N ALA A 25 -5.247 1.395 10.128 1.00 0.00 N ATOM 320 CA ALA A 25 -4.266 0.339 9.911 1.00 0.00 C ATOM 321 C ALA A 25 -3.952 -0.394 11.210 1.00 0.00 C ATOM 322 O ALA A 25 -3.914 -1.623 11.247 1.00 0.00 O ATOM 323 CB ALA A 25 -2.994 0.916 9.308 1.00 0.00 C ATOM 0 H ALA A 25 -5.056 2.259 9.621 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.692 -0.381 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.270 0.116 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.226 1.388 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.574 1.658 9.987 1.00 0.00 H new ATOM 329 N ALA A 26 -3.727 0.369 12.275 1.00 0.00 N ATOM 330 CA ALA A 26 -3.418 -0.209 13.577 1.00 0.00 C ATOM 331 C ALA A 26 -4.590 -1.027 14.108 1.00 0.00 C ATOM 332 O ALA A 26 -4.408 -2.135 14.610 1.00 0.00 O ATOM 333 CB ALA A 26 -3.046 0.886 14.566 1.00 0.00 C ATOM 0 H ALA A 26 -3.753 1.389 12.261 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.567 -0.879 13.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.818 0.440 15.534 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.172 1.425 14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.881 1.578 14.673 1.00 0.00 H new ATOM 339 N GLN A 27 -5.793 -0.472 13.993 1.00 0.00 N ATOM 340 CA GLN A 27 -6.995 -1.150 14.463 1.00 0.00 C ATOM 341 C GLN A 27 -7.072 -2.568 13.906 1.00 0.00 C ATOM 342 O GLN A 27 -7.315 -3.522 14.645 1.00 0.00 O ATOM 343 CB GLN A 27 -8.242 -0.363 14.058 1.00 0.00 C ATOM 344 CG GLN A 27 -8.302 1.032 14.660 1.00 0.00 C ATOM 345 CD GLN A 27 -8.802 1.030 16.091 1.00 0.00 C ATOM 346 OE1 GLN A 27 -10.008 1.010 16.339 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.875 1.049 17.042 1.00 0.00 N ATOM 0 H GLN A 27 -5.960 0.445 13.579 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.948 -1.207 15.550 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.274 -0.283 12.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.128 -0.920 14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.309 1.481 14.627 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.955 1.658 14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.887 1.065 16.791 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.151 1.047 18.024 1.00 0.00 H new ATOM 356 N GLU A 28 -6.864 -2.699 12.600 1.00 0.00 N ATOM 357 CA GLU A 28 -6.911 -4.001 11.945 1.00 0.00 C ATOM 358 C GLU A 28 -5.788 -4.904 12.448 1.00 0.00 C ATOM 359 O GLU A 28 -6.038 -5.985 12.981 1.00 0.00 O ATOM 360 CB GLU A 28 -6.809 -3.838 10.427 1.00 0.00 C ATOM 361 CG GLU A 28 -8.036 -3.200 9.799 1.00 0.00 C ATOM 362 CD GLU A 28 -9.329 -3.852 10.252 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.799 -3.527 11.363 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.869 -4.686 9.496 1.00 0.00 O ATOM 0 H GLU A 28 -6.661 -1.919 11.974 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.866 -4.467 12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.935 -3.231 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.647 -4.817 9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.060 -2.140 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.960 -3.267 8.714 1.00 0.00 H new ATOM 371 N ASP A 29 -4.551 -4.452 12.273 1.00 0.00 N ATOM 372 CA ASP A 29 -3.389 -5.218 12.709 1.00 0.00 C ATOM 373 C ASP A 29 -3.631 -5.838 14.082 1.00 0.00 C ATOM 374 O ASP A 29 -3.356 -7.018 14.299 1.00 0.00 O ATOM 375 CB ASP A 29 -2.149 -4.324 12.750 1.00 0.00 C ATOM 376 CG ASP A 29 -0.863 -5.121 12.847 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.791 -6.028 13.702 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.071 -4.838 12.068 1.00 0.00 O ATOM 0 H ASP A 29 -4.327 -3.560 11.833 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.224 -6.022 11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.122 -3.704 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.220 -3.649 13.603 1.00 0.00 H new ATOM 383 N LYS A 30 -4.145 -5.034 15.006 1.00 0.00 N ATOM 384 CA LYS A 30 -4.424 -5.502 16.359 1.00 0.00 C ATOM 385 C LYS A 30 -5.456 -6.625 16.344 1.00 0.00 C ATOM 386 O LYS A 30 -5.246 -7.681 16.939 1.00 0.00 O ATOM 387 CB LYS A 30 -4.924 -4.346 17.227 1.00 0.00 C ATOM 388 CG LYS A 30 -4.584 -4.500 18.700 1.00 0.00 C ATOM 389 CD LYS A 30 -5.608 -3.808 19.584 1.00 0.00 C ATOM 390 CE LYS A 30 -5.364 -2.308 19.651 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.238 -1.648 20.660 1.00 0.00 N ATOM 0 H LYS A 30 -4.377 -4.054 14.843 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.497 -5.890 16.781 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.494 -3.414 16.859 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.005 -4.263 17.119 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.538 -5.559 18.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.595 -4.083 18.892 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.610 -3.998 19.199 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.567 -4.230 20.588 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.319 -2.121 19.898 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.544 -1.867 18.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.041 -0.627 20.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.235 -1.805 20.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.049 -2.051 21.600 1.00 0.00 H new ATOM 405 N ALA A 31 -6.570 -6.389 15.658 1.00 0.00 N ATOM 406 CA ALA A 31 -7.633 -7.382 15.563 1.00 0.00 C ATOM 407 C ALA A 31 -7.121 -8.676 14.939 1.00 0.00 C ATOM 408 O ALA A 31 -7.616 -9.761 15.242 1.00 0.00 O ATOM 409 CB ALA A 31 -8.799 -6.831 14.757 1.00 0.00 C ATOM 0 H ALA A 31 -6.759 -5.519 15.160 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.977 -7.607 16.572 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.585 -7.583 14.694 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.189 -5.938 15.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.459 -6.576 13.753 1.00 0.00 H new ATOM 415 N GLY A 32 -6.127 -8.553 14.065 1.00 0.00 N ATOM 416 CA GLY A 32 -5.565 -9.721 13.412 1.00 0.00 C ATOM 417 C GLY A 32 -5.587 -9.607 11.901 1.00 0.00 C ATOM 418 O GLY A 32 -5.279 -10.566 11.194 1.00 0.00 O ATOM 0 H GLY A 32 -5.701 -7.666 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.538 -9.862 13.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.124 -10.607 13.715 1.00 0.00 H new ATOM 422 N ASN A 33 -5.952 -8.430 11.403 1.00 0.00 N ATOM 423 CA ASN A 33 -6.015 -8.194 9.965 1.00 0.00 C ATOM 424 C ASN A 33 -4.731 -7.539 9.465 1.00 0.00 C ATOM 425 O ASN A 33 -4.476 -6.365 9.732 1.00 0.00 O ATOM 426 CB ASN A 33 -7.218 -7.312 9.624 1.00 0.00 C ATOM 427 CG ASN A 33 -8.477 -8.120 9.380 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.452 -9.133 8.681 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.587 -7.674 9.956 1.00 0.00 N ATOM 0 H ASN A 33 -6.209 -7.625 11.974 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.128 -9.158 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.393 -6.610 10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.992 -6.721 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.466 -8.176 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.561 -6.829 10.527 1.00 0.00 H new ATOM 436 N TYR A 34 -3.927 -8.306 8.737 1.00 0.00 N ATOM 437 CA TYR A 34 -2.669 -7.802 8.200 1.00 0.00 C ATOM 438 C TYR A 34 -2.852 -7.286 6.776 1.00 0.00 C ATOM 439 O TYR A 34 -2.360 -6.215 6.425 1.00 0.00 O ATOM 440 CB TYR A 34 -1.604 -8.899 8.224 1.00 0.00 C ATOM 441 CG TYR A 34 -0.978 -9.106 9.585 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.744 -9.027 10.742 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.378 -9.380 9.714 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.177 -9.215 11.988 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.953 -9.570 10.956 1.00 0.00 C ATOM 446 CZ TYR A 34 0.172 -9.487 12.090 1.00 0.00 C ATOM 447 OH TYR A 34 0.741 -9.674 13.328 1.00 0.00 O ATOM 0 H TYR A 34 -4.124 -9.280 8.505 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.342 -6.973 8.828 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.052 -9.836 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.821 -8.650 7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.800 -8.815 10.666 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.993 -9.446 8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.786 -9.149 12.877 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.009 -9.782 11.038 1.00 0.00 H new ATOM 0 HH TYR A 34 1.698 -9.857 13.224 1.00 0.00 H new ATOM 457 N GLU A 35 -3.564 -8.059 5.961 1.00 0.00 N ATOM 458 CA GLU A 35 -3.812 -7.680 4.575 1.00 0.00 C ATOM 459 C GLU A 35 -4.588 -6.368 4.499 1.00 0.00 C ATOM 460 O GLU A 35 -4.312 -5.521 3.650 1.00 0.00 O ATOM 461 CB GLU A 35 -4.586 -8.785 3.852 1.00 0.00 C ATOM 462 CG GLU A 35 -5.759 -9.329 4.651 1.00 0.00 C ATOM 463 CD GLU A 35 -6.639 -10.257 3.836 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.250 -11.428 3.647 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.716 -9.812 3.388 1.00 0.00 O ATOM 0 H GLU A 35 -3.978 -8.950 6.236 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.848 -7.540 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.953 -8.398 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.904 -9.603 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.383 -9.864 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.359 -8.497 5.021 1.00 0.00 H new ATOM 472 N GLU A 36 -5.558 -6.209 5.394 1.00 0.00 N ATOM 473 CA GLU A 36 -6.374 -5.001 5.427 1.00 0.00 C ATOM 474 C GLU A 36 -5.586 -3.828 6.004 1.00 0.00 C ATOM 475 O GLU A 36 -5.748 -2.686 5.573 1.00 0.00 O ATOM 476 CB GLU A 36 -7.639 -5.236 6.255 1.00 0.00 C ATOM 477 CG GLU A 36 -8.787 -4.309 5.890 1.00 0.00 C ATOM 478 CD GLU A 36 -9.575 -4.801 4.692 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.408 -5.716 4.864 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.360 -4.271 3.582 1.00 0.00 O ATOM 0 H GLU A 36 -5.798 -6.900 6.105 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.658 -4.757 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.962 -6.269 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.401 -5.107 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.456 -4.211 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.393 -3.315 5.678 1.00 0.00 H new ATOM 487 N ALA A 37 -4.734 -4.119 6.981 1.00 0.00 N ATOM 488 CA ALA A 37 -3.920 -3.090 7.617 1.00 0.00 C ATOM 489 C ALA A 37 -2.823 -2.601 6.678 1.00 0.00 C ATOM 490 O ALA A 37 -2.416 -1.439 6.733 1.00 0.00 O ATOM 491 CB ALA A 37 -3.316 -3.618 8.909 1.00 0.00 C ATOM 0 H ALA A 37 -4.589 -5.059 7.350 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.566 -2.244 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.711 -2.839 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.114 -3.911 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.689 -4.483 8.691 1.00 0.00 H new ATOM 497 N LEU A 38 -2.346 -3.493 5.817 1.00 0.00 N ATOM 498 CA LEU A 38 -1.294 -3.153 4.866 1.00 0.00 C ATOM 499 C LEU A 38 -1.712 -1.977 3.989 1.00 0.00 C ATOM 500 O LEU A 38 -1.124 -0.898 4.061 1.00 0.00 O ATOM 501 CB LEU A 38 -0.959 -4.362 3.991 1.00 0.00 C ATOM 502 CG LEU A 38 0.109 -4.140 2.919 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.471 -3.923 3.559 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.151 -5.318 1.956 1.00 0.00 C ATOM 0 H LEU A 38 -2.671 -4.458 5.758 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.408 -2.865 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.631 -5.175 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.874 -4.695 3.501 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.151 -3.244 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.218 -3.767 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.433 -3.047 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.740 -4.799 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.916 -5.143 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.386 -6.229 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.819 -5.427 1.471 1.00 0.00 H new ATOM 516 N GLN A 39 -2.732 -2.193 3.165 1.00 0.00 N ATOM 517 CA GLN A 39 -3.230 -1.149 2.276 1.00 0.00 C ATOM 518 C GLN A 39 -3.408 0.166 3.027 1.00 0.00 C ATOM 519 O GLN A 39 -2.983 1.223 2.559 1.00 0.00 O ATOM 520 CB GLN A 39 -4.558 -1.576 1.648 1.00 0.00 C ATOM 521 CG GLN A 39 -4.420 -2.711 0.647 1.00 0.00 C ATOM 522 CD GLN A 39 -4.001 -2.229 -0.728 1.00 0.00 C ATOM 523 OE1 GLN A 39 -2.811 -2.094 -1.015 1.00 0.00 O ATOM 524 NE2 GLN A 39 -4.979 -1.966 -1.587 1.00 0.00 N ATOM 0 H GLN A 39 -3.230 -3.081 3.094 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.495 -0.998 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.243 -1.882 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.008 -0.717 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.686 -3.428 1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.370 -3.239 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.952 -2.092 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.758 -1.638 -2.527 1.00 0.00 H new ATOM 533 N LEU A 40 -4.039 0.095 4.194 1.00 0.00 N ATOM 534 CA LEU A 40 -4.274 1.281 5.010 1.00 0.00 C ATOM 535 C LEU A 40 -2.958 1.955 5.382 1.00 0.00 C ATOM 536 O LEU A 40 -2.847 3.181 5.355 1.00 0.00 O ATOM 537 CB LEU A 40 -5.045 0.907 6.278 1.00 0.00 C ATOM 538 CG LEU A 40 -6.509 0.513 6.081 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.052 -0.166 7.329 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.347 1.734 5.729 1.00 0.00 C ATOM 0 H LEU A 40 -4.397 -0.771 4.596 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.868 1.983 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.528 0.078 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.006 1.752 6.965 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.567 -0.194 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.095 -0.439 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.470 -1.063 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.981 0.517 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.386 1.435 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.283 2.464 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.973 2.178 4.807 1.00 0.00 H new ATOM 552 N TYR A 41 -1.962 1.147 5.728 1.00 0.00 N ATOM 553 CA TYR A 41 -0.652 1.666 6.105 1.00 0.00 C ATOM 554 C TYR A 41 -0.006 2.413 4.943 1.00 0.00 C ATOM 555 O TYR A 41 0.675 3.419 5.140 1.00 0.00 O ATOM 556 CB TYR A 41 0.259 0.525 6.562 1.00 0.00 C ATOM 557 CG TYR A 41 0.120 0.190 8.030 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.211 1.181 9.000 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.102 -1.116 8.447 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.086 0.880 10.343 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.230 -1.426 9.787 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.135 -0.425 10.731 1.00 0.00 C ATOM 563 OH TYR A 41 -0.261 -0.730 12.067 1.00 0.00 O ATOM 0 H TYR A 41 -2.037 0.130 5.755 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.790 2.365 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.037 -0.364 5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.295 0.794 6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.382 2.204 8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.176 -1.903 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.161 1.662 11.084 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.404 -2.447 10.094 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.414 -1.692 12.170 1.00 0.00 H new ATOM 573 N GLN A 42 -0.227 1.913 3.731 1.00 0.00 N ATOM 574 CA GLN A 42 0.334 2.532 2.536 1.00 0.00 C ATOM 575 C GLN A 42 -0.417 3.813 2.183 1.00 0.00 C ATOM 576 O GLN A 42 0.182 4.882 2.060 1.00 0.00 O ATOM 577 CB GLN A 42 0.284 1.557 1.359 1.00 0.00 C ATOM 578 CG GLN A 42 1.053 0.269 1.602 1.00 0.00 C ATOM 579 CD GLN A 42 1.377 -0.469 0.319 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.320 -0.118 -0.392 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.596 -1.498 0.014 1.00 0.00 N ATOM 0 H GLN A 42 -0.790 1.082 3.551 1.00 0.00 H new ATOM 0 HA GLN A 42 1.373 2.787 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.756 1.314 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.686 2.049 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.979 0.498 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.468 -0.381 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.174 -1.754 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.766 -2.032 -0.838 1.00 0.00 H new ATOM 590 N HIS A 43 -1.731 3.697 2.022 1.00 0.00 N ATOM 591 CA HIS A 43 -2.564 4.845 1.684 1.00 0.00 C ATOM 592 C HIS A 43 -2.246 6.032 2.588 1.00 0.00 C ATOM 593 O HIS A 43 -2.039 7.149 2.113 1.00 0.00 O ATOM 594 CB HIS A 43 -4.044 4.481 1.802 1.00 0.00 C ATOM 595 CG HIS A 43 -4.626 3.923 0.540 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.734 4.651 -0.626 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.133 2.698 0.265 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.283 3.899 -1.563 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.534 2.709 -1.048 1.00 0.00 N ATOM 0 H HIS A 43 -2.242 2.820 2.120 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.349 5.128 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.168 3.752 2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.606 5.369 2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.208 1.867 0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.491 4.205 -2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.957 1.925 -1.545 1.00 0.00 H new ATOM 608 N ALA A 44 -2.210 5.783 3.893 1.00 0.00 N ATOM 609 CA ALA A 44 -1.916 6.830 4.863 1.00 0.00 C ATOM 610 C ALA A 44 -0.730 7.677 4.415 1.00 0.00 C ATOM 611 O ALA A 44 -0.785 8.906 4.444 1.00 0.00 O ATOM 612 CB ALA A 44 -1.646 6.222 6.231 1.00 0.00 C ATOM 0 H ALA A 44 -2.381 4.865 4.303 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.788 7.481 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.428 7.016 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.524 5.667 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.793 5.547 6.167 1.00 0.00 H new ATOM 618 N VAL A 45 0.344 7.011 4.000 1.00 0.00 N ATOM 619 CA VAL A 45 1.544 7.703 3.545 1.00 0.00 C ATOM 620 C VAL A 45 1.292 8.434 2.232 1.00 0.00 C ATOM 621 O VAL A 45 1.612 9.615 2.097 1.00 0.00 O ATOM 622 CB VAL A 45 2.718 6.724 3.358 1.00 0.00 C ATOM 623 CG1 VAL A 45 3.930 7.447 2.789 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.062 6.046 4.676 1.00 0.00 C ATOM 0 H VAL A 45 0.407 5.993 3.970 1.00 0.00 H new ATOM 0 HA VAL A 45 1.804 8.428 4.316 1.00 0.00 H new ATOM 0 HB VAL A 45 2.417 5.954 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.750 6.740 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.674 7.881 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.235 8.239 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.894 5.358 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.344 6.800 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.195 5.493 5.038 1.00 0.00 H new ATOM 634 N GLN A 46 0.715 7.725 1.267 1.00 0.00 N ATOM 635 CA GLN A 46 0.420 8.308 -0.037 1.00 0.00 C ATOM 636 C GLN A 46 -0.194 9.696 0.114 1.00 0.00 C ATOM 637 O GLN A 46 0.204 10.639 -0.571 1.00 0.00 O ATOM 638 CB GLN A 46 -0.528 7.400 -0.822 1.00 0.00 C ATOM 639 CG GLN A 46 0.049 6.024 -1.114 1.00 0.00 C ATOM 640 CD GLN A 46 -0.848 5.193 -2.009 1.00 0.00 C ATOM 641 OE1 GLN A 46 -1.846 4.631 -1.558 1.00 0.00 O ATOM 642 NE2 GLN A 46 -0.496 5.111 -3.287 1.00 0.00 N ATOM 0 H GLN A 46 0.443 6.747 1.363 1.00 0.00 H new ATOM 0 HA GLN A 46 1.357 8.403 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.455 7.284 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.785 7.884 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.024 6.136 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.209 5.495 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.340 5.593 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.061 4.566 -3.938 1.00 0.00 H new ATOM 651 N TYR A 47 -1.164 9.813 1.013 1.00 0.00 N ATOM 652 CA TYR A 47 -1.836 11.085 1.251 1.00 0.00 C ATOM 653 C TYR A 47 -0.926 12.047 2.010 1.00 0.00 C ATOM 654 O TYR A 47 -0.871 13.239 1.704 1.00 0.00 O ATOM 655 CB TYR A 47 -3.130 10.864 2.036 1.00 0.00 C ATOM 656 CG TYR A 47 -4.248 10.276 1.205 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.965 11.063 0.312 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.589 8.933 1.315 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.988 10.530 -0.448 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.609 8.391 0.557 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.306 9.193 -0.322 1.00 0.00 C ATOM 662 OH TYR A 47 -7.324 8.658 -1.077 1.00 0.00 O ATOM 0 H TYR A 47 -1.503 9.043 1.589 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.077 11.526 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.926 10.201 2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.460 11.816 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.718 12.109 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.047 8.303 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.536 11.156 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.859 7.345 0.652 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.419 7.705 -0.870 1.00 0.00 H new ATOM 672 N PHE A 48 -0.214 11.521 3.000 1.00 0.00 N ATOM 673 CA PHE A 48 0.693 12.332 3.804 1.00 0.00 C ATOM 674 C PHE A 48 1.664 13.104 2.916 1.00 0.00 C ATOM 675 O PHE A 48 1.785 14.325 3.023 1.00 0.00 O ATOM 676 CB PHE A 48 1.472 11.447 4.780 1.00 0.00 C ATOM 677 CG PHE A 48 0.776 11.251 6.097 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.227 12.329 6.773 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.671 9.989 6.659 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.414 12.152 7.984 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.030 9.805 7.869 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.512 10.888 8.534 1.00 0.00 C ATOM 0 H PHE A 48 -0.247 10.537 3.265 1.00 0.00 H new ATOM 0 HA PHE A 48 0.096 13.048 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.642 10.474 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.452 11.891 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.301 13.319 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.095 9.139 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.838 13.001 8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.047 8.815 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.011 10.747 9.481 1.00 0.00 H new ATOM 692 N LEU A 49 2.355 12.384 2.038 1.00 0.00 N ATOM 693 CA LEU A 49 3.316 13.001 1.131 1.00 0.00 C ATOM 694 C LEU A 49 2.669 14.135 0.341 1.00 0.00 C ATOM 695 O LEU A 49 3.113 15.282 0.405 1.00 0.00 O ATOM 696 CB LEU A 49 3.884 11.954 0.170 1.00 0.00 C ATOM 697 CG LEU A 49 4.922 10.998 0.758 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.417 10.029 -0.305 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.086 11.776 1.356 1.00 0.00 C ATOM 0 H LEU A 49 2.267 11.373 1.935 1.00 0.00 H new ATOM 0 HA LEU A 49 4.128 13.416 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.056 11.363 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.335 12.473 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 49 4.449 10.423 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.155 9.356 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.578 9.448 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.873 10.587 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.815 11.079 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.559 12.377 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.719 12.429 2.147 1.00 0.00 H new ATOM 711 N HIS A 50 1.617 13.806 -0.402 1.00 0.00 N ATOM 712 CA HIS A 50 0.907 14.798 -1.202 1.00 0.00 C ATOM 713 C HIS A 50 0.779 16.116 -0.445 1.00 0.00 C ATOM 714 O HIS A 50 0.918 17.193 -1.026 1.00 0.00 O ATOM 715 CB HIS A 50 -0.480 14.279 -1.583 1.00 0.00 C ATOM 716 CG HIS A 50 -1.058 14.946 -2.793 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.890 14.459 -4.073 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.806 16.067 -2.914 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.509 15.253 -4.928 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.073 16.236 -4.250 1.00 0.00 N ATOM 0 H HIS A 50 1.238 12.861 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 50 1.483 14.975 -2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.420 13.206 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.157 14.423 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.132 16.709 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.547 15.121 -5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.619 16.997 -4.654 1.00 0.00 H new ATOM 729 N VAL A 51 0.513 16.024 0.854 1.00 0.00 N ATOM 730 CA VAL A 51 0.367 17.209 1.690 1.00 0.00 C ATOM 731 C VAL A 51 1.689 17.957 1.820 1.00 0.00 C ATOM 732 O VAL A 51 1.760 19.162 1.573 1.00 0.00 O ATOM 733 CB VAL A 51 -0.143 16.844 3.097 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.160 18.072 3.995 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.526 16.215 3.015 1.00 0.00 C ATOM 0 H VAL A 51 0.394 15.141 1.350 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.365 17.852 1.201 1.00 0.00 H new ATOM 0 HB VAL A 51 0.539 16.114 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.523 17.794 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.849 18.475 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.818 18.827 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.871 15.963 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.220 16.921 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.479 15.310 2.410 1.00 0.00 H new ATOM 745 N VAL A 52 2.736 17.236 2.207 1.00 0.00 N ATOM 746 CA VAL A 52 4.057 17.830 2.368 1.00 0.00 C ATOM 747 C VAL A 52 4.581 18.372 1.042 1.00 0.00 C ATOM 748 O VAL A 52 5.559 19.118 1.007 1.00 0.00 O ATOM 749 CB VAL A 52 5.067 16.811 2.928 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.481 17.368 2.863 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.701 16.429 4.355 1.00 0.00 C ATOM 0 H VAL A 52 2.695 16.238 2.415 1.00 0.00 H new ATOM 0 HA VAL A 52 3.950 18.651 3.077 1.00 0.00 H new ATOM 0 HB VAL A 52 5.028 15.912 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.180 16.634 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.738 17.587 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.539 18.283 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.425 15.708 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.710 17.319 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.705 15.985 4.369 1.00 0.00 H new ATOM 761 N LYS A 53 3.923 17.991 -0.047 1.00 0.00 N ATOM 762 CA LYS A 53 4.320 18.438 -1.377 1.00 0.00 C ATOM 763 C LYS A 53 3.604 19.732 -1.751 1.00 0.00 C ATOM 764 O LYS A 53 4.234 20.698 -2.185 1.00 0.00 O ATOM 765 CB LYS A 53 4.014 17.356 -2.415 1.00 0.00 C ATOM 766 CG LYS A 53 4.782 17.525 -3.714 1.00 0.00 C ATOM 767 CD LYS A 53 4.612 16.319 -4.623 1.00 0.00 C ATOM 768 CE LYS A 53 5.654 16.305 -5.731 1.00 0.00 C ATOM 769 NZ LYS A 53 6.932 15.686 -5.282 1.00 0.00 N ATOM 0 H LYS A 53 3.112 17.373 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 53 5.394 18.626 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.247 16.380 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.946 17.363 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.436 18.421 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.840 17.671 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.692 15.405 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.614 16.330 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.265 15.755 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.842 17.325 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.616 15.695 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.316 16.226 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.757 14.704 -4.987 1.00 0.00 H new ATOM 783 N TYR A 54 2.287 19.746 -1.580 1.00 0.00 N ATOM 784 CA TYR A 54 1.487 20.921 -1.901 1.00 0.00 C ATOM 785 C TYR A 54 0.998 21.611 -0.631 1.00 0.00 C ATOM 786 O TYR A 54 1.258 22.794 -0.415 1.00 0.00 O ATOM 787 CB TYR A 54 0.293 20.528 -2.773 1.00 0.00 C ATOM 788 CG TYR A 54 0.684 19.838 -4.060 1.00 0.00 C ATOM 789 CD1 TYR A 54 0.848 18.459 -4.109 1.00 0.00 C ATOM 790 CD2 TYR A 54 0.890 20.564 -5.226 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.206 17.823 -5.283 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.247 19.937 -6.404 1.00 0.00 C ATOM 793 CZ TYR A 54 1.404 18.567 -6.427 1.00 0.00 C ATOM 794 OH TYR A 54 1.760 17.939 -7.599 1.00 0.00 O ATOM 0 H TYR A 54 1.751 18.956 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 54 2.117 21.619 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.362 19.870 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.283 21.423 -3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.693 17.874 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.769 21.637 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.330 16.750 -5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.402 20.516 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 54 1.859 18.606 -8.310 1.00 0.00 H new ATOM 804 N GLU A 55 0.289 20.861 0.207 1.00 0.00 N ATOM 805 CA GLU A 55 -0.237 21.399 1.456 1.00 0.00 C ATOM 806 C GLU A 55 0.819 21.350 2.556 1.00 0.00 C ATOM 807 O GLU A 55 0.504 21.119 3.723 1.00 0.00 O ATOM 808 CB GLU A 55 -1.480 20.620 1.890 1.00 0.00 C ATOM 809 CG GLU A 55 -2.706 20.907 1.041 1.00 0.00 C ATOM 810 CD GLU A 55 -3.483 22.116 1.528 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.846 23.078 2.004 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.728 22.097 1.433 1.00 0.00 O ATOM 0 H GLU A 55 0.066 19.879 0.043 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.512 22.440 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.262 19.553 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.704 20.860 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.398 21.070 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.359 20.034 1.045 1.00 0.00 H new ATOM 819 N ALA A 56 2.074 21.567 2.175 1.00 0.00 N ATOM 820 CA ALA A 56 3.176 21.549 3.128 1.00 0.00 C ATOM 821 C ALA A 56 2.978 22.600 4.216 1.00 0.00 C ATOM 822 O ALA A 56 2.452 23.682 3.957 1.00 0.00 O ATOM 823 CB ALA A 56 4.499 21.772 2.410 1.00 0.00 C ATOM 0 H ALA A 56 2.352 21.757 1.212 1.00 0.00 H new ATOM 0 HA ALA A 56 3.195 20.569 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.313 21.756 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.652 20.982 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.481 22.738 1.906 1.00 0.00 H new ATOM 829 N GLN A 57 3.403 22.273 5.432 1.00 0.00 N ATOM 830 CA GLN A 57 3.271 23.189 6.559 1.00 0.00 C ATOM 831 C GLN A 57 4.593 23.892 6.847 1.00 0.00 C ATOM 832 O GLN A 57 4.745 25.084 6.581 1.00 0.00 O ATOM 833 CB GLN A 57 2.799 22.435 7.804 1.00 0.00 C ATOM 834 CG GLN A 57 1.334 22.034 7.753 1.00 0.00 C ATOM 835 CD GLN A 57 0.918 21.191 8.942 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.385 21.704 9.926 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.160 19.888 8.857 1.00 0.00 N ATOM 0 H GLN A 57 3.841 21.381 5.662 1.00 0.00 H new ATOM 0 HA GLN A 57 2.529 23.943 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.408 21.540 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.966 23.059 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.717 22.932 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.145 21.478 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.604 19.505 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.902 19.270 9.626 1.00 0.00 H new ATOM 846 N GLY A 58 5.549 23.146 7.392 1.00 0.00 N ATOM 847 CA GLY A 58 6.846 23.715 7.708 1.00 0.00 C ATOM 848 C GLY A 58 7.863 22.660 8.095 1.00 0.00 C ATOM 849 O GLY A 58 7.500 21.544 8.467 1.00 0.00 O ATOM 0 H GLY A 58 5.448 22.157 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.215 24.272 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.737 24.428 8.526 1.00 0.00 H new ATOM 853 N ASP A 59 9.141 23.012 8.006 1.00 0.00 N ATOM 854 CA ASP A 59 10.215 22.087 8.349 1.00 0.00 C ATOM 855 C ASP A 59 9.834 21.237 9.557 1.00 0.00 C ATOM 856 O ASP A 59 9.901 20.009 9.512 1.00 0.00 O ATOM 857 CB ASP A 59 11.506 22.855 8.637 1.00 0.00 C ATOM 858 CG ASP A 59 11.979 23.661 7.442 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.133 24.308 6.791 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.195 23.643 7.158 1.00 0.00 O ATOM 0 H ASP A 59 9.459 23.931 7.699 1.00 0.00 H new ATOM 0 HA ASP A 59 10.377 21.425 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.346 23.524 9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.286 22.152 8.929 1.00 0.00 H new ATOM 865 N LYS A 60 9.435 21.899 10.638 1.00 0.00 N ATOM 866 CA LYS A 60 9.044 21.206 11.859 1.00 0.00 C ATOM 867 C LYS A 60 7.971 20.161 11.572 1.00 0.00 C ATOM 868 O LYS A 60 8.174 18.969 11.802 1.00 0.00 O ATOM 869 CB LYS A 60 8.530 22.207 12.896 1.00 0.00 C ATOM 870 CG LYS A 60 9.637 22.931 13.643 1.00 0.00 C ATOM 871 CD LYS A 60 10.369 22.000 14.595 1.00 0.00 C ATOM 872 CE LYS A 60 9.700 21.961 15.961 1.00 0.00 C ATOM 873 NZ LYS A 60 8.504 21.073 15.968 1.00 0.00 N ATOM 0 H LYS A 60 9.374 22.916 10.693 1.00 0.00 H new ATOM 0 HA LYS A 60 9.923 20.699 12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.899 22.942 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.901 21.682 13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.344 23.352 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.214 23.766 14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.397 20.995 14.173 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.403 22.329 14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.415 21.613 16.706 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.405 22.970 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.409 20.627 16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.653 21.635 15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.614 20.336 15.242 1.00 0.00 H new ATOM 887 N ALA A 61 6.829 20.615 11.065 1.00 0.00 N ATOM 888 CA ALA A 61 5.726 19.719 10.742 1.00 0.00 C ATOM 889 C ALA A 61 6.188 18.584 9.835 1.00 0.00 C ATOM 890 O ALA A 61 6.111 17.411 10.202 1.00 0.00 O ATOM 891 CB ALA A 61 4.592 20.493 10.086 1.00 0.00 C ATOM 0 H ALA A 61 6.644 21.599 10.869 1.00 0.00 H new ATOM 0 HA ALA A 61 5.362 19.281 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.775 19.811 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.235 21.264 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.952 20.959 9.169 1.00 0.00 H new ATOM 897 N LYS A 62 6.669 18.939 8.648 1.00 0.00 N ATOM 898 CA LYS A 62 7.145 17.951 7.688 1.00 0.00 C ATOM 899 C LYS A 62 7.904 16.831 8.391 1.00 0.00 C ATOM 900 O LYS A 62 7.455 15.685 8.416 1.00 0.00 O ATOM 901 CB LYS A 62 8.046 18.616 6.645 1.00 0.00 C ATOM 902 CG LYS A 62 7.345 19.691 5.832 1.00 0.00 C ATOM 903 CD LYS A 62 8.342 20.604 5.138 1.00 0.00 C ATOM 904 CE LYS A 62 7.691 21.377 4.001 1.00 0.00 C ATOM 905 NZ LYS A 62 8.607 22.405 3.434 1.00 0.00 N ATOM 0 H LYS A 62 6.739 19.905 8.328 1.00 0.00 H new ATOM 0 HA LYS A 62 6.278 17.520 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.907 19.056 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.429 17.852 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.700 19.223 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.703 20.282 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.762 21.303 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.170 20.012 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.392 20.684 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.783 21.859 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.127 22.910 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.873 23.082 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.462 21.942 3.066 1.00 0.00 H new ATOM 919 N GLN A 63 9.056 17.170 8.961 1.00 0.00 N ATOM 920 CA GLN A 63 9.876 16.192 9.665 1.00 0.00 C ATOM 921 C GLN A 63 9.006 15.206 10.438 1.00 0.00 C ATOM 922 O GLN A 63 9.318 14.018 10.518 1.00 0.00 O ATOM 923 CB GLN A 63 10.840 16.897 10.621 1.00 0.00 C ATOM 924 CG GLN A 63 12.095 17.422 9.943 1.00 0.00 C ATOM 925 CD GLN A 63 13.159 17.851 10.934 1.00 0.00 C ATOM 926 OE1 GLN A 63 13.577 17.071 11.790 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.602 19.098 10.823 1.00 0.00 N ATOM 0 H GLN A 63 9.442 18.114 8.949 1.00 0.00 H new ATOM 0 HA GLN A 63 10.451 15.637 8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.321 17.728 11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.127 16.203 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.502 16.649 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.833 18.268 9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.227 19.710 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.317 19.444 11.463 1.00 0.00 H new ATOM 936 N SER A 64 7.913 15.707 11.004 1.00 0.00 N ATOM 937 CA SER A 64 6.999 14.871 11.774 1.00 0.00 C ATOM 938 C SER A 64 6.305 13.854 10.874 1.00 0.00 C ATOM 939 O SER A 64 6.422 12.645 11.079 1.00 0.00 O ATOM 940 CB SER A 64 5.957 15.737 12.483 1.00 0.00 C ATOM 941 OG SER A 64 5.462 15.093 13.644 1.00 0.00 O ATOM 0 H SER A 64 7.639 16.688 10.944 1.00 0.00 H new ATOM 0 HA SER A 64 7.581 14.331 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.401 16.695 12.756 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.133 15.950 11.802 1.00 0.00 H new ATOM 0 HG SER A 64 4.799 15.668 14.080 1.00 0.00 H new ATOM 947 N ILE A 65 5.581 14.352 9.877 1.00 0.00 N ATOM 948 CA ILE A 65 4.869 13.488 8.944 1.00 0.00 C ATOM 949 C ILE A 65 5.815 12.490 8.286 1.00 0.00 C ATOM 950 O ILE A 65 5.514 11.299 8.197 1.00 0.00 O ATOM 951 CB ILE A 65 4.160 14.306 7.848 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.126 15.245 8.470 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.501 13.378 6.838 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.736 16.396 7.570 1.00 0.00 C ATOM 0 H ILE A 65 5.472 15.350 9.695 1.00 0.00 H new ATOM 0 HA ILE A 65 4.121 12.947 9.524 1.00 0.00 H new ATOM 0 HB ILE A 65 4.904 14.909 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.233 14.673 8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.524 15.643 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.004 13.970 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.259 12.746 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.767 12.751 7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.000 17.020 8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.619 16.992 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.308 16.007 6.646 1.00 0.00 H new ATOM 966 N ARG A 66 6.961 12.983 7.828 1.00 0.00 N ATOM 967 CA ARG A 66 7.953 12.134 7.179 1.00 0.00 C ATOM 968 C ARG A 66 8.320 10.949 8.068 1.00 0.00 C ATOM 969 O ARG A 66 8.238 9.796 7.647 1.00 0.00 O ATOM 970 CB ARG A 66 9.208 12.943 6.845 1.00 0.00 C ATOM 971 CG ARG A 66 9.077 13.777 5.581 1.00 0.00 C ATOM 972 CD ARG A 66 9.983 14.997 5.622 1.00 0.00 C ATOM 973 NE ARG A 66 11.303 14.718 5.062 1.00 0.00 N ATOM 974 CZ ARG A 66 12.315 15.577 5.102 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.160 16.763 5.673 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.486 15.250 4.571 1.00 0.00 N ATOM 0 H ARG A 66 7.226 13.966 7.894 1.00 0.00 H new ATOM 0 HA ARG A 66 7.519 11.752 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.439 13.602 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.051 12.261 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.327 13.166 4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.042 14.095 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.519 15.812 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.091 15.334 6.653 1.00 0.00 H new ATOM 0 HE ARG A 66 11.456 13.814 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.262 17.018 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.939 17.421 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.610 14.338 4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.263 15.911 4.602 1.00 0.00 H new ATOM 990 N ALA A 67 8.726 11.243 9.299 1.00 0.00 N ATOM 991 CA ALA A 67 9.105 10.203 10.247 1.00 0.00 C ATOM 992 C ALA A 67 8.087 9.068 10.252 1.00 0.00 C ATOM 993 O ALA A 67 8.452 7.892 10.214 1.00 0.00 O ATOM 994 CB ALA A 67 9.251 10.790 11.644 1.00 0.00 C ATOM 0 H ALA A 67 8.801 12.193 9.663 1.00 0.00 H new ATOM 0 HA ALA A 67 10.066 9.793 9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.534 10.002 12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.021 11.562 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.302 11.227 11.956 1.00 0.00 H new ATOM 1000 N LYS A 68 6.808 9.426 10.299 1.00 0.00 N ATOM 1001 CA LYS A 68 5.736 8.438 10.308 1.00 0.00 C ATOM 1002 C LYS A 68 5.715 7.646 9.005 1.00 0.00 C ATOM 1003 O LYS A 68 5.534 6.428 9.011 1.00 0.00 O ATOM 1004 CB LYS A 68 4.385 9.124 10.523 1.00 0.00 C ATOM 1005 CG LYS A 68 3.991 9.248 11.984 1.00 0.00 C ATOM 1006 CD LYS A 68 4.911 10.199 12.731 1.00 0.00 C ATOM 1007 CE LYS A 68 6.102 9.467 13.330 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.791 10.284 14.368 1.00 0.00 N ATOM 0 H LYS A 68 6.489 10.394 10.331 1.00 0.00 H new ATOM 0 HA LYS A 68 5.920 7.746 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.417 10.119 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.614 8.564 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.963 9.603 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.022 8.265 12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.264 10.975 12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.354 10.699 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.767 8.528 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.808 9.214 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.597 9.750 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.133 11.169 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.125 10.504 15.135 1.00 0.00 H new ATOM 1022 N CYS A 69 5.902 8.344 7.891 1.00 0.00 N ATOM 1023 CA CYS A 69 5.905 7.706 6.579 1.00 0.00 C ATOM 1024 C CYS A 69 6.914 6.563 6.533 1.00 0.00 C ATOM 1025 O CYS A 69 6.608 5.468 6.058 1.00 0.00 O ATOM 1026 CB CYS A 69 6.227 8.730 5.490 1.00 0.00 C ATOM 1027 SG CYS A 69 4.948 9.987 5.258 1.00 0.00 S ATOM 0 H CYS A 69 6.054 9.352 7.870 1.00 0.00 H new ATOM 0 HA CYS A 69 4.911 7.297 6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.167 9.224 5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.381 8.205 4.547 1.00 0.00 H new ATOM 0 HG CYS A 69 4.829 10.691 6.344 1.00 0.00 H new ATOM 1033 N THR A 70 8.119 6.824 7.029 1.00 0.00 N ATOM 1034 CA THR A 70 9.175 5.819 7.043 1.00 0.00 C ATOM 1035 C THR A 70 8.803 4.644 7.939 1.00 0.00 C ATOM 1036 O THR A 70 9.040 3.488 7.591 1.00 0.00 O ATOM 1037 CB THR A 70 10.511 6.415 7.523 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.888 7.513 6.686 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.609 5.361 7.511 1.00 0.00 C ATOM 0 H THR A 70 8.388 7.724 7.427 1.00 0.00 H new ATOM 0 HA THR A 70 9.291 5.467 6.018 1.00 0.00 H new ATOM 0 HB THR A 70 10.379 6.768 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.738 7.887 7.000 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.543 5.805 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.333 4.540 8.173 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.738 4.982 6.497 1.00 0.00 H new ATOM 1047 N GLU A 71 8.220 4.948 9.095 1.00 0.00 N ATOM 1048 CA GLU A 71 7.816 3.915 10.041 1.00 0.00 C ATOM 1049 C GLU A 71 6.720 3.033 9.449 1.00 0.00 C ATOM 1050 O GLU A 71 6.901 1.826 9.284 1.00 0.00 O ATOM 1051 CB GLU A 71 7.326 4.549 11.344 1.00 0.00 C ATOM 1052 CG GLU A 71 6.805 3.540 12.354 1.00 0.00 C ATOM 1053 CD GLU A 71 7.794 2.422 12.626 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.701 2.624 13.460 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.661 1.348 12.005 1.00 0.00 O ATOM 0 H GLU A 71 8.017 5.901 9.398 1.00 0.00 H new ATOM 0 HA GLU A 71 8.685 3.292 10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.144 5.112 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.535 5.263 11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.576 4.052 13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.872 3.113 11.987 1.00 0.00 H new ATOM 1062 N TYR A 72 5.585 3.644 9.131 1.00 0.00 N ATOM 1063 CA TYR A 72 4.458 2.915 8.560 1.00 0.00 C ATOM 1064 C TYR A 72 4.882 2.149 7.310 1.00 0.00 C ATOM 1065 O TYR A 72 4.373 1.063 7.031 1.00 0.00 O ATOM 1066 CB TYR A 72 3.320 3.879 8.219 1.00 0.00 C ATOM 1067 CG TYR A 72 2.832 4.682 9.404 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.737 4.107 10.666 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.464 6.014 9.261 1.00 0.00 C ATOM 1070 CE1 TYR A 72 2.291 4.837 11.751 1.00 0.00 C ATOM 1071 CE2 TYR A 72 2.018 6.751 10.341 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.933 6.158 11.584 1.00 0.00 C ATOM 1073 OH TYR A 72 1.488 6.889 12.661 1.00 0.00 O ATOM 0 H TYR A 72 5.420 4.642 9.259 1.00 0.00 H new ATOM 0 HA TYR A 72 4.108 2.198 9.303 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.656 4.564 7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.486 3.312 7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.016 3.073 10.801 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.528 6.481 8.289 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.223 4.375 12.725 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.737 7.786 10.213 1.00 0.00 H new ATOM 0 HH TYR A 72 1.278 7.802 12.373 1.00 0.00 H new ATOM 1083 N LEU A 73 5.818 2.722 6.562 1.00 0.00 N ATOM 1084 CA LEU A 73 6.312 2.095 5.342 1.00 0.00 C ATOM 1085 C LEU A 73 7.077 0.814 5.660 1.00 0.00 C ATOM 1086 O LEU A 73 6.885 -0.213 5.008 1.00 0.00 O ATOM 1087 CB LEU A 73 7.214 3.064 4.576 1.00 0.00 C ATOM 1088 CG LEU A 73 6.504 4.061 3.660 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.467 5.144 3.200 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.893 3.345 2.464 1.00 0.00 C ATOM 0 H LEU A 73 6.250 3.620 6.779 1.00 0.00 H new ATOM 0 HA LEU A 73 5.454 1.840 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.808 3.624 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.911 2.481 3.974 1.00 0.00 H new ATOM 0 HG LEU A 73 5.701 4.534 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.943 5.844 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.856 5.677 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.293 4.688 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.392 4.070 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.679 2.844 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.170 2.607 2.812 1.00 0.00 H new ATOM 1102 N ASP A 74 7.942 0.882 6.666 1.00 0.00 N ATOM 1103 CA ASP A 74 8.733 -0.274 7.073 1.00 0.00 C ATOM 1104 C ASP A 74 7.839 -1.375 7.633 1.00 0.00 C ATOM 1105 O ASP A 74 7.975 -2.544 7.270 1.00 0.00 O ATOM 1106 CB ASP A 74 9.773 0.136 8.117 1.00 0.00 C ATOM 1107 CG ASP A 74 10.838 -0.924 8.320 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.576 -2.099 7.990 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.934 -0.578 8.810 1.00 0.00 O ATOM 0 H ASP A 74 8.113 1.725 7.214 1.00 0.00 H new ATOM 0 HA ASP A 74 9.246 -0.661 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.246 1.068 7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.274 0.332 9.066 1.00 0.00 H new ATOM 1114 N ARG A 75 6.925 -0.994 8.519 1.00 0.00 N ATOM 1115 CA ARG A 75 6.009 -1.950 9.131 1.00 0.00 C ATOM 1116 C ARG A 75 5.228 -2.714 8.066 1.00 0.00 C ATOM 1117 O ARG A 75 5.097 -3.935 8.135 1.00 0.00 O ATOM 1118 CB ARG A 75 5.041 -1.231 10.072 1.00 0.00 C ATOM 1119 CG ARG A 75 3.926 -2.121 10.596 1.00 0.00 C ATOM 1120 CD ARG A 75 4.457 -3.164 11.567 1.00 0.00 C ATOM 1121 NE ARG A 75 3.460 -3.538 12.567 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.733 -4.282 13.633 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.964 -4.728 13.837 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.772 -4.579 14.499 1.00 0.00 N ATOM 0 H ARG A 75 6.799 -0.031 8.829 1.00 0.00 H new ATOM 0 HA ARG A 75 6.600 -2.664 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.600 -0.829 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.601 -0.383 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.173 -1.509 11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.432 -2.618 9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.766 -4.051 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.344 -2.775 12.067 1.00 0.00 H new ATOM 0 HE ARG A 75 2.503 -3.210 12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.705 -4.500 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.170 -5.299 14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.824 -4.236 14.346 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.982 -5.150 15.318 1.00 0.00 H new ATOM 1138 N ALA A 76 4.712 -1.984 7.082 1.00 0.00 N ATOM 1139 CA ALA A 76 3.945 -2.593 6.002 1.00 0.00 C ATOM 1140 C ALA A 76 4.786 -3.608 5.236 1.00 0.00 C ATOM 1141 O ALA A 76 4.391 -4.763 5.080 1.00 0.00 O ATOM 1142 CB ALA A 76 3.420 -1.521 5.059 1.00 0.00 C ATOM 0 H ALA A 76 4.811 -0.971 7.011 1.00 0.00 H new ATOM 0 HA ALA A 76 3.099 -3.120 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.849 -1.990 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.776 -0.835 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.258 -0.969 4.633 1.00 0.00 H new ATOM 1148 N GLU A 77 5.947 -3.168 4.759 1.00 0.00 N ATOM 1149 CA GLU A 77 6.842 -4.040 4.007 1.00 0.00 C ATOM 1150 C GLU A 77 6.830 -5.455 4.579 1.00 0.00 C ATOM 1151 O GLU A 77 6.728 -6.435 3.840 1.00 0.00 O ATOM 1152 CB GLU A 77 8.267 -3.482 4.026 1.00 0.00 C ATOM 1153 CG GLU A 77 8.564 -2.531 2.879 1.00 0.00 C ATOM 1154 CD GLU A 77 8.885 -3.257 1.587 1.00 0.00 C ATOM 1155 OE1 GLU A 77 9.686 -4.214 1.629 1.00 0.00 O ATOM 1156 OE2 GLU A 77 8.336 -2.869 0.535 1.00 0.00 O ATOM 0 H GLU A 77 6.289 -2.215 4.880 1.00 0.00 H new ATOM 0 HA GLU A 77 6.489 -4.080 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.432 -2.962 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.973 -4.311 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.705 -1.879 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.404 -1.892 3.150 1.00 0.00 H new ATOM 1163 N LYS A 78 6.936 -5.554 5.899 1.00 0.00 N ATOM 1164 CA LYS A 78 6.937 -6.848 6.572 1.00 0.00 C ATOM 1165 C LYS A 78 5.603 -7.562 6.380 1.00 0.00 C ATOM 1166 O LYS A 78 5.556 -8.688 5.883 1.00 0.00 O ATOM 1167 CB LYS A 78 7.221 -6.669 8.065 1.00 0.00 C ATOM 1168 CG LYS A 78 8.652 -6.257 8.367 1.00 0.00 C ATOM 1169 CD LYS A 78 9.586 -7.455 8.382 1.00 0.00 C ATOM 1170 CE LYS A 78 11.037 -7.029 8.543 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.285 -6.392 9.866 1.00 0.00 N ATOM 0 H LYS A 78 7.022 -4.753 6.525 1.00 0.00 H new ATOM 0 HA LYS A 78 7.723 -7.459 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.543 -5.917 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.004 -7.604 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.991 -5.540 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.690 -5.753 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.309 -8.123 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.472 -8.018 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.685 -7.898 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.301 -6.331 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.300 -6.193 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.750 -5.503 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.978 -7.035 10.624 1.00 0.00 H new ATOM 1185 N LEU A 79 4.521 -6.901 6.774 1.00 0.00 N ATOM 1186 CA LEU A 79 3.185 -7.472 6.644 1.00 0.00 C ATOM 1187 C LEU A 79 3.053 -8.256 5.342 1.00 0.00 C ATOM 1188 O LEU A 79 2.331 -9.252 5.275 1.00 0.00 O ATOM 1189 CB LEU A 79 2.129 -6.367 6.696 1.00 0.00 C ATOM 1190 CG LEU A 79 1.913 -5.708 8.059 1.00 0.00 C ATOM 1191 CD1 LEU A 79 1.021 -4.484 7.925 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.313 -6.702 9.043 1.00 0.00 C ATOM 0 H LEU A 79 4.542 -5.968 7.187 1.00 0.00 H new ATOM 0 HA LEU A 79 3.027 -8.157 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.407 -5.593 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.179 -6.784 6.362 1.00 0.00 H new ATOM 0 HG LEU A 79 2.881 -5.386 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.879 -4.028 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.490 -3.764 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.054 -4.781 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.166 -6.216 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.354 -7.055 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.989 -7.549 9.163 1.00 0.00 H new ATOM 1204 N LYS A 80 3.756 -7.802 4.310 1.00 0.00 N ATOM 1205 CA LYS A 80 3.721 -8.462 3.011 1.00 0.00 C ATOM 1206 C LYS A 80 4.474 -9.788 3.053 1.00 0.00 C ATOM 1207 O LYS A 80 4.005 -10.796 2.526 1.00 0.00 O ATOM 1208 CB LYS A 80 4.326 -7.554 1.938 1.00 0.00 C ATOM 1209 CG LYS A 80 3.672 -6.186 1.860 1.00 0.00 C ATOM 1210 CD LYS A 80 4.211 -5.375 0.693 1.00 0.00 C ATOM 1211 CE LYS A 80 3.832 -3.907 0.812 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.530 -3.244 1.948 1.00 0.00 N ATOM 0 H LYS A 80 4.357 -6.979 4.348 1.00 0.00 H new ATOM 0 HA LYS A 80 2.679 -8.664 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.390 -7.428 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.240 -8.044 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.593 -6.303 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.845 -5.645 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.296 -5.470 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.822 -5.778 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.079 -3.392 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.754 -3.820 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.965 -2.436 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.650 -3.924 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.463 -2.909 1.634 1.00 0.00 H new ATOM 1226 N GLU A 81 5.644 -9.779 3.686 1.00 0.00 N ATOM 1227 CA GLU A 81 6.460 -10.982 3.797 1.00 0.00 C ATOM 1228 C GLU A 81 5.834 -11.977 4.770 1.00 0.00 C ATOM 1229 O GLU A 81 5.998 -13.189 4.627 1.00 0.00 O ATOM 1230 CB GLU A 81 7.875 -10.624 4.257 1.00 0.00 C ATOM 1231 CG GLU A 81 8.035 -10.595 5.767 1.00 0.00 C ATOM 1232 CD GLU A 81 9.479 -10.419 6.198 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.201 -9.637 5.545 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.886 -11.063 7.187 1.00 0.00 O ATOM 0 H GLU A 81 6.047 -8.953 4.129 1.00 0.00 H new ATOM 0 HA GLU A 81 6.512 -11.447 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.577 -11.346 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.143 -9.648 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.436 -9.782 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.645 -11.522 6.188 1.00 0.00 H new ATOM 1241 N TYR A 82 5.118 -11.456 5.760 1.00 0.00 N ATOM 1242 CA TYR A 82 4.469 -12.297 6.759 1.00 0.00 C ATOM 1243 C TYR A 82 3.266 -13.021 6.163 1.00 0.00 C ATOM 1244 O TYR A 82 3.095 -14.226 6.353 1.00 0.00 O ATOM 1245 CB TYR A 82 4.029 -11.454 7.958 1.00 0.00 C ATOM 1246 CG TYR A 82 2.830 -12.018 8.686 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.538 -11.717 8.275 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.990 -12.851 9.786 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.440 -12.229 8.938 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.898 -13.369 10.455 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.625 -13.055 10.028 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.467 -13.568 10.690 1.00 0.00 O ATOM 0 H TYR A 82 4.972 -10.455 5.892 1.00 0.00 H new ATOM 0 HA TYR A 82 5.190 -13.043 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.861 -11.369 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.795 -10.446 7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.389 -11.071 7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.986 -13.098 10.124 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.558 -11.984 8.605 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.041 -14.016 11.308 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.164 -14.131 11.433 1.00 0.00 H new ATOM 1262 N LEU A 83 2.435 -12.278 5.441 1.00 0.00 N ATOM 1263 CA LEU A 83 1.246 -12.848 4.815 1.00 0.00 C ATOM 1264 C LEU A 83 1.622 -13.972 3.856 1.00 0.00 C ATOM 1265 O LEU A 83 1.059 -15.066 3.912 1.00 0.00 O ATOM 1266 CB LEU A 83 0.469 -11.762 4.068 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.310 -10.775 4.938 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.736 -9.565 4.122 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.521 -11.454 5.561 1.00 0.00 C ATOM 0 H LEU A 83 2.562 -11.280 5.274 1.00 0.00 H new ATOM 0 HA LEU A 83 0.614 -13.262 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.171 -11.198 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.231 -12.247 3.388 1.00 0.00 H new ATOM 0 HG LEU A 83 0.343 -10.434 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.289 -8.874 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.147 -9.065 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.372 -9.888 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.064 -10.737 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.176 -11.824 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.192 -12.288 6.181 1.00 0.00 H new ATOM 1281 N LYS A 84 2.578 -13.696 2.975 1.00 0.00 N ATOM 1282 CA LYS A 84 3.033 -14.685 2.005 1.00 0.00 C ATOM 1283 C LYS A 84 3.652 -15.891 2.705 1.00 0.00 C ATOM 1284 O LYS A 84 3.568 -17.015 2.214 1.00 0.00 O ATOM 1285 CB LYS A 84 4.052 -14.059 1.049 1.00 0.00 C ATOM 1286 CG LYS A 84 5.333 -13.612 1.732 1.00 0.00 C ATOM 1287 CD LYS A 84 6.355 -13.109 0.726 1.00 0.00 C ATOM 1288 CE LYS A 84 5.892 -11.825 0.055 1.00 0.00 C ATOM 1289 NZ LYS A 84 5.065 -12.097 -1.153 1.00 0.00 N ATOM 0 H LYS A 84 3.053 -12.795 2.913 1.00 0.00 H new ATOM 0 HA LYS A 84 2.167 -15.023 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.298 -14.781 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.595 -13.201 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.108 -12.822 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.755 -14.444 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.307 -12.935 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.529 -13.874 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.314 -11.232 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.760 -11.229 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.436 -11.552 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.100 -13.112 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.080 -11.817 -0.970 1.00 0.00 H new