USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 12 GLN : amide:sc= -0.711 K(o=-0.095,f=-2.1) USER MOD Set 1.2: A 55 CYS SG : rot -41:sc= 0.616 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc=-0.00699 (180deg=-0.145) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.92) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.298 (180deg=-1.18!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00889 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 1.2 K(o=1.2,f=-0.82) USER MOD Single : A 52 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= 1.03 (180deg=0.599) USER MOD Single : A 57 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= -0.295 (180deg=-1.81!) USER MOD Single : A 71 MET CE :methyl 162:sc= -0.139 (180deg=-0.557) USER MOD Single : A 72 MET CE :methyl -104:sc= -0.0837 (180deg=-1.6) USER MOD Single : A 73 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 75 CYS SG : rot 79:sc= -3.07! USER MOD Single : A 76 GLN : amide:sc= -1.84! K(o=-1.8!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 26.027 3.274 -11.030 1.00 10.57 N ATOM 130 CA ASP A 9 25.161 4.334 -10.516 1.00 10.51 C ATOM 131 C ASP A 9 24.560 3.930 -9.177 1.00 9.48 C ATOM 132 O ASP A 9 23.476 4.386 -8.807 1.00 9.50 O ATOM 133 CB ASP A 9 24.030 4.658 -11.501 1.00 11.48 C ATOM 134 CG ASP A 9 24.517 5.327 -12.772 1.00 12.16 C ATOM 135 OD1 ASP A 9 24.072 4.927 -13.869 1.00 12.46 O ATOM 136 OD2 ASP A 9 25.373 6.234 -12.681 1.00 12.54 O ATOM 0 HA ASP A 9 25.777 5.224 -10.386 1.00 10.51 H new ATOM 0 HB2 ASP A 9 23.508 3.737 -11.760 1.00 11.48 H new ATOM 0 HB3 ASP A 9 23.305 5.308 -11.011 1.00 11.48 H new ATOM 141 N ILE A 10 25.263 3.058 -8.468 1.00 8.74 N ATOM 142 CA ILE A 10 24.793 2.517 -7.193 1.00 7.86 C ATOM 143 C ILE A 10 24.820 3.557 -6.070 1.00 7.43 C ATOM 144 O ILE A 10 25.543 3.416 -5.085 1.00 6.73 O ATOM 145 CB ILE A 10 25.629 1.290 -6.776 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.128 1.600 -6.895 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.244 0.085 -7.621 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.025 0.408 -6.647 1.00 7.84 C ATOM 0 H ILE A 10 26.175 2.704 -8.757 1.00 8.74 H new ATOM 0 HA ILE A 10 23.756 2.219 -7.349 1.00 7.86 H new ATOM 0 HB ILE A 10 25.420 1.053 -5.733 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.329 1.992 -7.892 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.383 2.387 -6.186 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.840 -0.776 -7.319 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.187 -0.137 -7.478 1.00 7.55 H new ATOM 0 HG23 ILE A 10 25.430 0.304 -8.673 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.067 0.709 -6.750 1.00 7.84 H new ATOM 0 HD12 ILE A 10 27.855 0.028 -5.640 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.800 -0.374 -7.373 1.00 7.84 H new ATOM 160 N ARG A 11 24.027 4.601 -6.230 1.00 8.07 N ATOM 161 CA ARG A 11 23.860 5.602 -5.195 1.00 7.96 C ATOM 162 C ARG A 11 22.377 5.893 -5.012 1.00 7.79 C ATOM 163 O ARG A 11 21.549 5.412 -5.786 1.00 8.29 O ATOM 164 CB ARG A 11 24.636 6.875 -5.539 1.00 9.08 C ATOM 165 CG ARG A 11 24.179 7.570 -6.806 1.00 9.98 C ATOM 166 CD ARG A 11 24.936 8.869 -7.009 1.00 10.66 C ATOM 167 NE ARG A 11 26.361 8.648 -7.269 1.00 11.50 N ATOM 168 CZ ARG A 11 27.351 9.256 -6.608 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.082 10.132 -5.648 1.00 12.46 N ATOM 170 NH2 ARG A 11 28.613 8.989 -6.919 1.00 13.19 N ATOM 0 H ARG A 11 23.484 4.777 -7.076 1.00 8.07 H new ATOM 0 HA ARG A 11 24.263 5.221 -4.257 1.00 7.96 H new ATOM 0 HB2 ARG A 11 24.550 7.573 -4.706 1.00 9.08 H new ATOM 0 HB3 ARG A 11 25.692 6.625 -5.638 1.00 9.08 H new ATOM 0 HG2 ARG A 11 24.336 6.915 -7.663 1.00 9.98 H new ATOM 0 HG3 ARG A 11 23.109 7.772 -6.750 1.00 9.98 H new ATOM 0 HD2 ARG A 11 24.497 9.416 -7.844 1.00 10.66 H new ATOM 0 HD3 ARG A 11 24.823 9.495 -6.124 1.00 10.66 H new ATOM 0 HE ARG A 11 26.614 7.986 -8.003 1.00 11.50 H new ATOM 0 HH11 ARG A 11 26.114 10.346 -5.409 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.844 10.591 -5.149 1.00 12.46 H new ATOM 0 HH21 ARG A 11 28.825 8.322 -7.661 1.00 13.19 H new ATOM 0 HH22 ARG A 11 29.371 9.451 -6.417 1.00 13.19 H new ATOM 184 N GLN A 12 22.037 6.677 -4.003 1.00 7.29 N ATOM 185 CA GLN A 12 20.638 6.879 -3.654 1.00 7.16 C ATOM 186 C GLN A 12 20.260 8.349 -3.689 1.00 7.82 C ATOM 187 O GLN A 12 21.055 9.220 -3.335 1.00 8.10 O ATOM 188 CB GLN A 12 20.339 6.322 -2.259 1.00 6.33 C ATOM 189 CG GLN A 12 18.854 6.320 -1.923 1.00 6.44 C ATOM 190 CD GLN A 12 18.574 6.203 -0.438 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.360 5.638 0.317 1.00 6.37 O ATOM 192 NE2 GLN A 12 17.439 6.736 -0.016 1.00 6.60 N ATOM 0 H GLN A 12 22.702 7.180 -3.415 1.00 7.29 H new ATOM 0 HA GLN A 12 20.046 6.345 -4.397 1.00 7.16 H new ATOM 0 HB2 GLN A 12 20.722 5.304 -2.191 1.00 6.33 H new ATOM 0 HB3 GLN A 12 20.873 6.914 -1.516 1.00 6.33 H new ATOM 0 HG2 GLN A 12 18.402 7.238 -2.299 1.00 6.44 H new ATOM 0 HG3 GLN A 12 18.372 5.492 -2.443 1.00 6.44 H new ATOM 0 HE21 GLN A 12 16.815 7.197 -0.678 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.188 6.686 0.971 1.00 6.60 H new ATOM 201 N GLY A 13 19.044 8.613 -4.135 1.00 8.30 N ATOM 202 CA GLY A 13 18.476 9.938 -4.035 1.00 9.01 C ATOM 203 C GLY A 13 17.469 10.010 -2.903 1.00 8.63 C ATOM 204 O GLY A 13 17.090 8.975 -2.356 1.00 7.84 O ATOM 0 H GLY A 13 18.433 7.922 -4.570 1.00 8.30 H new ATOM 0 HA2 GLY A 13 19.269 10.667 -3.869 1.00 9.01 H new ATOM 0 HA3 GLY A 13 17.992 10.203 -4.975 1.00 9.01 H new ATOM 208 N PRO A 14 17.009 11.211 -2.530 1.00 9.33 N ATOM 209 CA PRO A 14 16.069 11.382 -1.416 1.00 9.17 C ATOM 210 C PRO A 14 14.742 10.664 -1.655 1.00 8.90 C ATOM 211 O PRO A 14 14.137 10.131 -0.726 1.00 8.50 O ATOM 212 CB PRO A 14 15.857 12.898 -1.345 1.00 10.25 C ATOM 213 CG PRO A 14 16.278 13.415 -2.679 1.00 10.91 C ATOM 214 CD PRO A 14 17.366 12.496 -3.152 1.00 10.46 C ATOM 0 HA PRO A 14 16.459 10.954 -0.492 1.00 9.17 H new ATOM 0 HB2 PRO A 14 14.814 13.141 -1.140 1.00 10.25 H new ATOM 0 HB3 PRO A 14 16.451 13.342 -0.546 1.00 10.25 H new ATOM 0 HG2 PRO A 14 15.441 13.421 -3.377 1.00 10.91 H new ATOM 0 HG3 PRO A 14 16.638 14.441 -2.604 1.00 10.91 H new ATOM 0 HD2 PRO A 14 17.390 12.425 -4.239 1.00 10.46 H new ATOM 0 HD3 PRO A 14 18.350 12.839 -2.833 1.00 10.46 H new ATOM 222 N LYS A 15 14.307 10.631 -2.907 1.00 9.36 N ATOM 223 CA LYS A 15 13.034 10.012 -3.260 1.00 9.53 C ATOM 224 C LYS A 15 13.225 8.565 -3.694 1.00 9.20 C ATOM 225 O LYS A 15 12.267 7.897 -4.086 1.00 9.66 O ATOM 226 CB LYS A 15 12.356 10.795 -4.386 1.00 10.67 C ATOM 227 CG LYS A 15 13.174 10.850 -5.666 1.00 11.41 C ATOM 228 CD LYS A 15 12.458 11.625 -6.761 1.00 12.05 C ATOM 229 CE LYS A 15 11.184 10.923 -7.216 1.00 12.96 C ATOM 230 NZ LYS A 15 11.464 9.613 -7.865 1.00 13.55 N ATOM 0 H LYS A 15 14.817 11.026 -3.697 1.00 9.36 H new ATOM 0 HA LYS A 15 12.402 10.028 -2.372 1.00 9.53 H new ATOM 0 HB2 LYS A 15 11.389 10.341 -4.602 1.00 10.67 H new ATOM 0 HB3 LYS A 15 12.162 11.812 -4.045 1.00 10.67 H new ATOM 0 HG2 LYS A 15 14.138 11.316 -5.462 1.00 11.41 H new ATOM 0 HG3 LYS A 15 13.377 9.836 -6.011 1.00 11.41 H new ATOM 0 HD2 LYS A 15 12.212 12.623 -6.398 1.00 12.05 H new ATOM 0 HD3 LYS A 15 13.127 11.751 -7.613 1.00 12.05 H new ATOM 0 HE2 LYS A 15 10.530 10.769 -6.358 1.00 12.96 H new ATOM 0 HE3 LYS A 15 10.647 11.565 -7.914 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 10.603 9.268 -8.336 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 12.221 9.729 -8.569 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 11.764 8.926 -7.144 1.00 13.55 H new ATOM 244 N GLU A 16 14.454 8.083 -3.615 1.00 8.57 N ATOM 245 CA GLU A 16 14.776 6.753 -4.099 1.00 8.39 C ATOM 246 C GLU A 16 14.424 5.703 -3.062 1.00 7.72 C ATOM 247 O GLU A 16 14.797 5.821 -1.892 1.00 6.94 O ATOM 248 CB GLU A 16 16.260 6.654 -4.431 1.00 8.10 C ATOM 249 CG GLU A 16 16.576 5.586 -5.459 1.00 8.26 C ATOM 250 CD GLU A 16 16.118 5.988 -6.842 1.00 9.36 C ATOM 251 OE1 GLU A 16 16.785 6.824 -7.483 1.00 9.85 O ATOM 252 OE2 GLU A 16 15.094 5.449 -7.308 1.00 9.91 O ATOM 0 H GLU A 16 15.244 8.593 -3.220 1.00 8.57 H new ATOM 0 HA GLU A 16 14.190 6.573 -5.000 1.00 8.39 H new ATOM 0 HB2 GLU A 16 16.607 7.619 -4.801 1.00 8.10 H new ATOM 0 HB3 GLU A 16 16.816 6.444 -3.517 1.00 8.10 H new ATOM 0 HG2 GLU A 16 17.650 5.399 -5.471 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.093 4.652 -5.173 1.00 8.26 H new ATOM 259 N PRO A 17 13.670 4.678 -3.473 1.00 8.28 N ATOM 260 CA PRO A 17 13.434 3.500 -2.646 1.00 8.07 C ATOM 261 C PRO A 17 14.753 2.826 -2.291 1.00 7.31 C ATOM 262 O PRO A 17 15.441 2.285 -3.162 1.00 7.39 O ATOM 263 CB PRO A 17 12.582 2.591 -3.535 1.00 9.21 C ATOM 264 CG PRO A 17 11.970 3.500 -4.543 1.00 9.95 C ATOM 265 CD PRO A 17 12.975 4.590 -4.770 1.00 9.45 C ATOM 0 HA PRO A 17 12.947 3.737 -1.700 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.191 1.824 -4.014 1.00 9.21 H new ATOM 0 HB3 PRO A 17 11.818 2.075 -2.954 1.00 9.21 H new ATOM 0 HG2 PRO A 17 11.753 2.968 -5.469 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.026 3.907 -4.181 1.00 9.95 H new ATOM 0 HD2 PRO A 17 13.662 4.343 -5.580 1.00 9.45 H new ATOM 0 HD3 PRO A 17 12.495 5.532 -5.035 1.00 9.45 H new ATOM 273 N PHE A 18 15.100 2.886 -1.008 1.00 6.75 N ATOM 274 CA PHE A 18 16.368 2.364 -0.500 1.00 6.11 C ATOM 275 C PHE A 18 16.588 0.921 -0.941 1.00 6.56 C ATOM 276 O PHE A 18 17.705 0.519 -1.244 1.00 6.14 O ATOM 277 CB PHE A 18 16.380 2.456 1.032 1.00 6.14 C ATOM 278 CG PHE A 18 17.680 2.047 1.675 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.892 0.739 2.086 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.686 2.978 1.879 1.00 5.83 C ATOM 281 CE1 PHE A 18 19.082 0.368 2.684 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.878 2.612 2.477 1.00 6.04 C ATOM 283 CZ PHE A 18 20.076 1.307 2.881 1.00 6.38 C ATOM 0 H PHE A 18 14.508 3.300 -0.288 1.00 6.75 H new ATOM 0 HA PHE A 18 17.180 2.965 -0.910 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.153 3.482 1.323 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.581 1.828 1.427 1.00 6.14 H new ATOM 0 HD1 PHE A 18 17.118 0.001 1.937 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.537 4.001 1.567 1.00 5.83 H new ATOM 0 HE1 PHE A 18 19.234 -0.654 2.997 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.654 3.347 2.628 1.00 6.04 H new ATOM 0 HZ PHE A 18 21.006 1.021 3.350 1.00 6.38 H new ATOM 293 N ARG A 19 15.511 0.159 -1.009 1.00 7.57 N ATOM 294 CA ARG A 19 15.601 -1.256 -1.331 1.00 8.30 C ATOM 295 C ARG A 19 15.971 -1.484 -2.796 1.00 8.53 C ATOM 296 O ARG A 19 16.436 -2.560 -3.159 1.00 8.98 O ATOM 297 CB ARG A 19 14.272 -1.943 -1.021 1.00 9.53 C ATOM 298 CG ARG A 19 14.299 -3.449 -1.214 1.00 10.28 C ATOM 299 CD ARG A 19 12.949 -4.065 -0.914 1.00 11.35 C ATOM 300 NE ARG A 19 12.957 -5.515 -1.090 1.00 12.03 N ATOM 301 CZ ARG A 19 11.989 -6.320 -0.664 1.00 13.02 C ATOM 302 NH1 ARG A 19 10.921 -5.817 -0.054 1.00 13.43 N ATOM 303 NH2 ARG A 19 12.082 -7.628 -0.862 1.00 13.72 N ATOM 0 H ARG A 19 14.562 0.496 -0.846 1.00 7.57 H new ATOM 0 HA ARG A 19 16.393 -1.686 -0.717 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.992 -1.723 0.009 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.497 -1.518 -1.659 1.00 9.53 H new ATOM 0 HG2 ARG A 19 14.588 -3.682 -2.239 1.00 10.28 H new ATOM 0 HG3 ARG A 19 15.055 -3.888 -0.563 1.00 10.28 H new ATOM 0 HD2 ARG A 19 12.661 -3.826 0.110 1.00 11.35 H new ATOM 0 HD3 ARG A 19 12.196 -3.625 -1.568 1.00 11.35 H new ATOM 0 HE ARG A 19 13.754 -5.935 -1.569 1.00 12.03 H new ATOM 0 HH11 ARG A 19 10.842 -4.810 0.089 1.00 13.43 H new ATOM 0 HH12 ARG A 19 10.180 -6.438 0.272 1.00 13.43 H new ATOM 0 HH21 ARG A 19 12.896 -8.015 -1.341 1.00 13.72 H new ATOM 0 HH22 ARG A 19 11.340 -8.247 -0.536 1.00 13.72 H new ATOM 317 N ASP A 20 15.784 -0.477 -3.640 1.00 8.44 N ATOM 318 CA ASP A 20 15.969 -0.674 -5.073 1.00 9.01 C ATOM 319 C ASP A 20 17.421 -0.467 -5.490 1.00 8.27 C ATOM 320 O ASP A 20 18.057 -1.380 -6.014 1.00 8.68 O ATOM 321 CB ASP A 20 15.061 0.258 -5.876 1.00 9.59 C ATOM 322 CG ASP A 20 14.899 -0.190 -7.317 1.00 10.55 C ATOM 323 OD1 ASP A 20 13.790 -0.616 -7.703 1.00 11.24 O ATOM 324 OD2 ASP A 20 15.891 -0.120 -8.075 1.00 10.78 O ATOM 0 H ASP A 20 15.510 0.466 -3.366 1.00 8.44 H new ATOM 0 HA ASP A 20 15.697 -1.707 -5.289 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.081 0.304 -5.401 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.473 1.267 -5.856 1.00 9.59 H new ATOM 329 N TYR A 21 17.957 0.720 -5.250 1.00 7.30 N ATOM 330 CA TYR A 21 19.305 1.029 -5.710 1.00 6.73 C ATOM 331 C TYR A 21 20.366 0.359 -4.849 1.00 6.19 C ATOM 332 O TYR A 21 21.475 0.091 -5.309 1.00 6.24 O ATOM 333 CB TYR A 21 19.536 2.536 -5.779 1.00 6.06 C ATOM 334 CG TYR A 21 19.263 3.108 -7.153 1.00 5.92 C ATOM 335 CD1 TYR A 21 17.966 3.307 -7.603 1.00 6.01 C ATOM 336 CD2 TYR A 21 20.310 3.444 -8.001 1.00 6.13 C ATOM 337 CE1 TYR A 21 17.718 3.826 -8.860 1.00 6.36 C ATOM 338 CE2 TYR A 21 20.071 3.963 -9.259 1.00 6.47 C ATOM 339 CZ TYR A 21 18.774 4.152 -9.683 1.00 6.60 C ATOM 340 OH TYR A 21 18.533 4.676 -10.934 1.00 7.29 O ATOM 0 H TYR A 21 17.490 1.475 -4.748 1.00 7.30 H new ATOM 0 HA TYR A 21 19.397 0.625 -6.718 1.00 6.73 H new ATOM 0 HB2 TYR A 21 18.894 3.031 -5.050 1.00 6.06 H new ATOM 0 HB3 TYR A 21 20.566 2.754 -5.497 1.00 6.06 H new ATOM 0 HD1 TYR A 21 17.136 3.052 -6.961 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.328 3.297 -7.672 1.00 6.13 H new ATOM 0 HE1 TYR A 21 16.702 3.975 -9.195 1.00 6.36 H new ATOM 0 HE2 TYR A 21 20.897 4.219 -9.906 1.00 6.47 H new ATOM 0 HH TYR A 21 19.385 4.852 -11.385 1.00 7.29 H new ATOM 350 N VAL A 22 20.014 0.062 -3.616 1.00 5.96 N ATOM 351 CA VAL A 22 20.929 -0.623 -2.712 1.00 5.81 C ATOM 352 C VAL A 22 20.939 -2.119 -3.019 1.00 6.77 C ATOM 353 O VAL A 22 21.927 -2.812 -2.776 1.00 6.77 O ATOM 354 CB VAL A 22 20.573 -0.370 -1.229 1.00 5.93 C ATOM 355 CG1 VAL A 22 21.485 -1.157 -0.296 1.00 6.61 C ATOM 356 CG2 VAL A 22 20.657 1.120 -0.919 1.00 5.41 C ATOM 0 H VAL A 22 19.103 0.281 -3.212 1.00 5.96 H new ATOM 0 HA VAL A 22 21.928 -0.217 -2.874 1.00 5.81 H new ATOM 0 HB VAL A 22 19.552 -0.714 -1.063 1.00 5.93 H new ATOM 0 HG11 VAL A 22 21.208 -0.956 0.739 1.00 6.61 H new ATOM 0 HG12 VAL A 22 21.381 -2.223 -0.499 1.00 6.61 H new ATOM 0 HG13 VAL A 22 22.520 -0.856 -0.459 1.00 6.61 H new ATOM 0 HG21 VAL A 22 20.405 1.289 0.128 1.00 5.41 H new ATOM 0 HG22 VAL A 22 21.670 1.475 -1.110 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.957 1.664 -1.553 1.00 5.41 H new ATOM 366 N ASP A 23 19.843 -2.607 -3.592 1.00 7.71 N ATOM 367 CA ASP A 23 19.795 -3.973 -4.099 1.00 8.82 C ATOM 368 C ASP A 23 20.831 -4.128 -5.200 1.00 8.87 C ATOM 369 O ASP A 23 21.495 -5.154 -5.310 1.00 9.30 O ATOM 370 CB ASP A 23 18.401 -4.297 -4.641 1.00 9.88 C ATOM 371 CG ASP A 23 18.288 -5.704 -5.191 1.00 11.09 C ATOM 372 OD1 ASP A 23 18.461 -5.890 -6.414 1.00 11.57 O ATOM 373 OD2 ASP A 23 18.007 -6.633 -4.406 1.00 11.68 O ATOM 0 H ASP A 23 18.979 -2.079 -3.716 1.00 7.71 H new ATOM 0 HA ASP A 23 20.013 -4.666 -3.286 1.00 8.82 H new ATOM 0 HB2 ASP A 23 17.669 -4.165 -3.845 1.00 9.88 H new ATOM 0 HB3 ASP A 23 18.149 -3.585 -5.427 1.00 9.88 H new ATOM 378 N ARG A 24 20.989 -3.066 -5.980 1.00 8.57 N ATOM 379 CA ARG A 24 21.948 -3.038 -7.075 1.00 8.91 C ATOM 380 C ARG A 24 23.361 -3.006 -6.517 1.00 8.10 C ATOM 381 O ARG A 24 24.282 -3.597 -7.081 1.00 8.53 O ATOM 382 CB ARG A 24 21.715 -1.804 -7.942 1.00 9.20 C ATOM 383 CG ARG A 24 20.272 -1.633 -8.378 1.00 9.35 C ATOM 384 CD ARG A 24 20.030 -0.238 -8.914 1.00 9.42 C ATOM 385 NE ARG A 24 18.615 0.005 -9.190 1.00 10.13 N ATOM 386 CZ ARG A 24 18.155 0.624 -10.276 1.00 10.62 C ATOM 387 NH1 ARG A 24 18.991 1.021 -11.229 1.00 10.53 N ATOM 388 NH2 ARG A 24 16.856 0.841 -10.408 1.00 11.36 N ATOM 0 H ARG A 24 20.457 -2.202 -5.871 1.00 8.57 H new ATOM 0 HA ARG A 24 21.817 -3.933 -7.684 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.026 -0.918 -7.389 1.00 9.20 H new ATOM 0 HB3 ARG A 24 22.348 -1.867 -8.827 1.00 9.20 H new ATOM 0 HG2 ARG A 24 20.030 -2.368 -9.145 1.00 9.35 H new ATOM 0 HG3 ARG A 24 19.608 -1.823 -7.534 1.00 9.35 H new ATOM 0 HD2 ARG A 24 20.390 0.495 -8.192 1.00 9.42 H new ATOM 0 HD3 ARG A 24 20.607 -0.095 -9.828 1.00 9.42 H new ATOM 0 HE ARG A 24 17.934 -0.322 -8.505 1.00 10.13 H new ATOM 0 HH11 ARG A 24 19.992 0.852 -11.132 1.00 10.53 H new ATOM 0 HH12 ARG A 24 18.632 1.494 -12.058 1.00 10.53 H new ATOM 0 HH21 ARG A 24 16.211 0.535 -9.680 1.00 11.36 H new ATOM 0 HH22 ARG A 24 16.500 1.315 -11.238 1.00 11.36 H new ATOM 402 N PHE A 25 23.511 -2.309 -5.395 1.00 7.02 N ATOM 403 CA PHE A 25 24.779 -2.226 -4.694 1.00 6.32 C ATOM 404 C PHE A 25 25.216 -3.614 -4.238 1.00 6.59 C ATOM 405 O PHE A 25 26.400 -3.938 -4.232 1.00 6.62 O ATOM 406 CB PHE A 25 24.632 -1.289 -3.494 1.00 5.33 C ATOM 407 CG PHE A 25 25.919 -0.993 -2.784 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.784 -0.019 -3.258 1.00 4.85 C ATOM 409 CD2 PHE A 25 26.265 -1.694 -1.644 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.970 0.248 -2.600 1.00 4.99 C ATOM 411 CE2 PHE A 25 27.446 -1.432 -0.984 1.00 5.43 C ATOM 412 CZ PHE A 25 28.303 -0.436 -1.478 1.00 5.29 C ATOM 0 H PHE A 25 22.755 -1.788 -4.950 1.00 7.02 H new ATOM 0 HA PHE A 25 25.542 -1.830 -5.364 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.192 -0.351 -3.832 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.932 -1.732 -2.785 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.529 0.536 -4.149 1.00 4.85 H new ATOM 0 HD2 PHE A 25 25.601 -2.457 -1.266 1.00 5.26 H new ATOM 0 HE1 PHE A 25 28.636 1.007 -2.983 1.00 4.99 H new ATOM 0 HE2 PHE A 25 27.709 -1.987 -0.096 1.00 5.43 H new ATOM 0 HZ PHE A 25 29.227 -0.215 -0.965 1.00 5.29 H new ATOM 422 N TYR A 26 24.241 -4.438 -3.884 1.00 7.06 N ATOM 423 CA TYR A 26 24.514 -5.797 -3.452 1.00 7.60 C ATOM 424 C TYR A 26 24.709 -6.700 -4.668 1.00 8.54 C ATOM 425 O TYR A 26 25.545 -7.605 -4.662 1.00 8.87 O ATOM 426 CB TYR A 26 23.368 -6.306 -2.572 1.00 8.10 C ATOM 427 CG TYR A 26 23.563 -7.722 -2.077 1.00 8.84 C ATOM 428 CD1 TYR A 26 23.012 -8.798 -2.757 1.00 9.57 C ATOM 429 CD2 TYR A 26 24.308 -7.983 -0.933 1.00 9.04 C ATOM 430 CE1 TYR A 26 23.196 -10.093 -2.315 1.00 10.37 C ATOM 431 CE2 TYR A 26 24.495 -9.276 -0.484 1.00 9.88 C ATOM 432 CZ TYR A 26 23.937 -10.326 -1.180 1.00 10.50 C ATOM 433 OH TYR A 26 24.124 -11.619 -0.742 1.00 11.44 O ATOM 0 H TYR A 26 23.252 -4.187 -3.888 1.00 7.06 H new ATOM 0 HA TYR A 26 25.431 -5.811 -2.863 1.00 7.60 H new ATOM 0 HB2 TYR A 26 23.259 -5.643 -1.714 1.00 8.10 H new ATOM 0 HB3 TYR A 26 22.437 -6.253 -3.137 1.00 8.10 H new ATOM 0 HD1 TYR A 26 22.429 -8.620 -3.648 1.00 9.57 H new ATOM 0 HD2 TYR A 26 24.748 -7.162 -0.386 1.00 9.04 H new ATOM 0 HE1 TYR A 26 22.760 -10.919 -2.858 1.00 10.37 H new ATOM 0 HE2 TYR A 26 25.075 -9.463 0.408 1.00 9.88 H new ATOM 0 HH TYR A 26 24.671 -11.613 0.071 1.00 11.44 H new ATOM 443 N LYS A 27 23.936 -6.435 -5.714 1.00 9.08 N ATOM 444 CA LYS A 27 24.027 -7.185 -6.960 1.00 10.12 C ATOM 445 C LYS A 27 25.413 -7.066 -7.585 1.00 10.01 C ATOM 446 O LYS A 27 25.978 -8.057 -8.046 1.00 10.69 O ATOM 447 CB LYS A 27 22.973 -6.693 -7.954 1.00 10.87 C ATOM 448 CG LYS A 27 21.550 -7.126 -7.633 1.00 11.19 C ATOM 449 CD LYS A 27 21.404 -8.640 -7.636 1.00 12.15 C ATOM 450 CE LYS A 27 19.941 -9.062 -7.643 1.00 12.87 C ATOM 451 NZ LYS A 27 19.186 -8.506 -6.491 1.00 13.47 N ATOM 0 H LYS A 27 23.231 -5.697 -5.723 1.00 9.08 H new ATOM 0 HA LYS A 27 23.846 -8.234 -6.725 1.00 10.12 H new ATOM 0 HB2 LYS A 27 23.008 -5.604 -7.992 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.233 -7.055 -8.949 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.263 -6.735 -6.657 1.00 11.19 H new ATOM 0 HG3 LYS A 27 20.866 -6.694 -8.363 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.907 -9.053 -8.511 1.00 12.15 H new ATOM 0 HD3 LYS A 27 21.899 -9.056 -6.758 1.00 12.15 H new ATOM 0 HE2 LYS A 27 19.475 -8.733 -8.572 1.00 12.87 H new ATOM 0 HE3 LYS A 27 19.879 -10.150 -7.623 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 18.462 -9.188 -6.189 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 19.840 -8.323 -5.703 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 18.727 -7.616 -6.773 1.00 13.47 H new ATOM 465 N THR A 28 25.963 -5.860 -7.595 1.00 9.28 N ATOM 466 CA THR A 28 27.274 -5.635 -8.180 1.00 9.35 C ATOM 467 C THR A 28 28.360 -6.317 -7.344 1.00 8.90 C ATOM 468 O THR A 28 29.397 -6.731 -7.868 1.00 9.29 O ATOM 469 CB THR A 28 27.579 -4.126 -8.343 1.00 9.07 C ATOM 470 OG1 THR A 28 28.751 -3.938 -9.144 1.00 9.27 O ATOM 471 CG2 THR A 28 27.771 -3.444 -6.998 1.00 8.30 C ATOM 0 H THR A 28 25.523 -5.026 -7.206 1.00 9.28 H new ATOM 0 HA THR A 28 27.269 -6.077 -9.176 1.00 9.35 H new ATOM 0 HB THR A 28 26.720 -3.672 -8.838 1.00 9.07 H new ATOM 0 HG1 THR A 28 28.931 -2.980 -9.240 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.983 -2.386 -7.153 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.863 -3.548 -6.404 1.00 8.30 H new ATOM 0 HG23 THR A 28 28.605 -3.908 -6.471 1.00 8.30 H new ATOM 479 N LEU A 29 28.098 -6.473 -6.047 1.00 8.24 N ATOM 480 CA LEU A 29 29.028 -7.154 -5.159 1.00 8.03 C ATOM 481 C LEU A 29 28.980 -8.654 -5.405 1.00 8.87 C ATOM 482 O LEU A 29 29.941 -9.370 -5.131 1.00 9.09 O ATOM 483 CB LEU A 29 28.706 -6.852 -3.694 1.00 7.48 C ATOM 484 CG LEU A 29 28.912 -5.398 -3.265 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.538 -5.219 -1.802 1.00 6.93 C ATOM 486 CD2 LEU A 29 30.351 -4.966 -3.504 1.00 6.99 C ATOM 0 H LEU A 29 27.250 -6.136 -5.592 1.00 8.24 H new ATOM 0 HA LEU A 29 30.033 -6.788 -5.370 1.00 8.03 H new ATOM 0 HB2 LEU A 29 27.668 -7.126 -3.503 1.00 7.48 H new ATOM 0 HB3 LEU A 29 29.325 -7.491 -3.064 1.00 7.48 H new ATOM 0 HG LEU A 29 28.261 -4.766 -3.869 1.00 7.10 H new ATOM 0 HD11 LEU A 29 28.690 -4.179 -1.512 1.00 6.93 H new ATOM 0 HD12 LEU A 29 27.491 -5.486 -1.659 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.164 -5.863 -1.185 1.00 6.93 H new ATOM 0 HD21 LEU A 29 30.476 -3.929 -3.192 1.00 6.99 H new ATOM 0 HD22 LEU A 29 31.022 -5.602 -2.927 1.00 6.99 H new ATOM 0 HD23 LEU A 29 30.587 -5.057 -4.564 1.00 6.99 H new ATOM 498 N ARG A 30 27.851 -9.119 -5.922 1.00 9.50 N ATOM 499 CA ARG A 30 27.702 -10.517 -6.293 1.00 10.45 C ATOM 500 C ARG A 30 28.520 -10.830 -7.535 1.00 10.98 C ATOM 501 O ARG A 30 29.048 -11.930 -7.682 1.00 11.61 O ATOM 502 CB ARG A 30 26.237 -10.861 -6.556 1.00 11.14 C ATOM 503 CG ARG A 30 25.392 -10.984 -5.303 1.00 11.16 C ATOM 504 CD ARG A 30 23.986 -11.444 -5.646 1.00 11.94 C ATOM 505 NE ARG A 30 24.002 -12.664 -6.452 1.00 12.66 N ATOM 506 CZ ARG A 30 22.917 -13.231 -6.977 1.00 13.44 C ATOM 507 NH1 ARG A 30 21.714 -12.719 -6.739 1.00 13.60 N ATOM 508 NH2 ARG A 30 23.040 -14.318 -7.728 1.00 14.19 N ATOM 0 H ARG A 30 27.024 -8.547 -6.094 1.00 9.50 H new ATOM 0 HA ARG A 30 28.063 -11.119 -5.459 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.805 -10.093 -7.198 1.00 11.14 H new ATOM 0 HB3 ARG A 30 26.189 -11.801 -7.106 1.00 11.14 H new ATOM 0 HG2 ARG A 30 25.854 -11.692 -4.615 1.00 11.16 H new ATOM 0 HG3 ARG A 30 25.351 -10.023 -4.791 1.00 11.16 H new ATOM 0 HD2 ARG A 30 23.426 -11.621 -4.728 1.00 11.94 H new ATOM 0 HD3 ARG A 30 23.466 -10.655 -6.189 1.00 11.94 H new ATOM 0 HE ARG A 30 24.903 -13.110 -6.623 1.00 12.66 H new ATOM 0 HH11 ARG A 30 21.620 -11.890 -6.153 1.00 13.60 H new ATOM 0 HH12 ARG A 30 20.885 -13.155 -7.142 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.963 -14.716 -7.901 1.00 14.19 H new ATOM 0 HH22 ARG A 30 22.212 -14.755 -8.132 1.00 14.19 H new ATOM 522 N ALA A 31 28.613 -9.860 -8.434 1.00 10.87 N ATOM 523 CA ALA A 31 29.369 -10.040 -9.662 1.00 11.56 C ATOM 524 C ALA A 31 30.857 -10.159 -9.360 1.00 11.34 C ATOM 525 O ALA A 31 31.489 -11.158 -9.703 1.00 11.93 O ATOM 526 CB ALA A 31 29.104 -8.889 -10.620 1.00 11.84 C ATOM 0 H ALA A 31 28.175 -8.944 -8.335 1.00 10.87 H new ATOM 0 HA ALA A 31 29.043 -10.965 -10.138 1.00 11.56 H new ATOM 0 HB1 ALA A 31 29.677 -9.038 -11.535 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.041 -8.852 -10.859 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.403 -7.951 -10.153 1.00 11.84 H new ATOM 532 N GLU A 32 31.404 -9.140 -8.707 1.00 10.61 N ATOM 533 CA GLU A 32 32.803 -9.148 -8.287 1.00 10.60 C ATOM 534 C GLU A 32 32.943 -9.751 -6.885 1.00 10.54 C ATOM 535 O GLU A 32 33.674 -9.232 -6.036 1.00 10.89 O ATOM 536 CB GLU A 32 33.367 -7.728 -8.318 1.00 10.22 C ATOM 537 CG GLU A 32 32.612 -6.766 -7.424 1.00 9.56 C ATOM 538 CD GLU A 32 33.095 -5.340 -7.566 1.00 9.48 C ATOM 539 OE1 GLU A 32 32.634 -4.640 -8.489 1.00 9.47 O ATOM 540 OE2 GLU A 32 33.935 -4.908 -6.747 1.00 9.62 O ATOM 0 H GLU A 32 30.897 -8.292 -8.455 1.00 10.61 H new ATOM 0 HA GLU A 32 33.372 -9.767 -8.981 1.00 10.60 H new ATOM 0 HB2 GLU A 32 34.413 -7.753 -8.013 1.00 10.22 H new ATOM 0 HB3 GLU A 32 33.343 -7.357 -9.343 1.00 10.22 H new ATOM 0 HG2 GLU A 32 31.549 -6.811 -7.663 1.00 9.56 H new ATOM 0 HG3 GLU A 32 32.719 -7.080 -6.386 1.00 9.56 H new ATOM 547 N GLN A 33 32.241 -10.851 -6.653 1.00 10.31 N ATOM 548 CA GLN A 33 32.205 -11.489 -5.338 1.00 10.45 C ATOM 549 C GLN A 33 33.584 -11.994 -4.906 1.00 10.39 C ATOM 550 O GLN A 33 33.797 -12.315 -3.737 1.00 10.09 O ATOM 551 CB GLN A 33 31.198 -12.641 -5.335 1.00 10.44 C ATOM 552 CG GLN A 33 31.542 -13.766 -6.296 1.00 10.76 C ATOM 553 CD GLN A 33 30.485 -14.853 -6.325 1.00 11.12 C ATOM 554 OE1 GLN A 33 29.296 -14.594 -6.128 1.00 11.23 O ATOM 555 NE2 GLN A 33 30.913 -16.082 -6.561 1.00 11.52 N ATOM 0 H GLN A 33 31.683 -11.326 -7.363 1.00 10.31 H new ATOM 0 HA GLN A 33 31.892 -10.733 -4.618 1.00 10.45 H new ATOM 0 HB2 GLN A 33 31.130 -13.047 -4.326 1.00 10.44 H new ATOM 0 HB3 GLN A 33 30.213 -12.249 -5.588 1.00 10.44 H new ATOM 0 HG2 GLN A 33 31.665 -13.357 -7.299 1.00 10.76 H new ATOM 0 HG3 GLN A 33 32.499 -14.203 -6.010 1.00 10.76 H new ATOM 0 HE21 GLN A 33 31.906 -16.255 -6.719 1.00 11.52 H new ATOM 0 HE22 GLN A 33 30.250 -16.857 -6.585 1.00 11.52 H new ATOM 564 N ALA A 34 34.517 -12.048 -5.845 1.00 10.90 N ATOM 565 CA ALA A 34 35.865 -12.510 -5.551 1.00 11.19 C ATOM 566 C ALA A 34 36.643 -11.445 -4.786 1.00 11.09 C ATOM 567 O ALA A 34 37.489 -11.755 -3.950 1.00 11.27 O ATOM 568 CB ALA A 34 36.592 -12.873 -6.837 1.00 11.97 C ATOM 0 H ALA A 34 34.365 -11.778 -6.817 1.00 10.90 H new ATOM 0 HA ALA A 34 35.794 -13.400 -4.926 1.00 11.19 H new ATOM 0 HB1 ALA A 34 37.599 -13.217 -6.601 1.00 11.97 H new ATOM 0 HB2 ALA A 34 36.049 -13.666 -7.351 1.00 11.97 H new ATOM 0 HB3 ALA A 34 36.650 -11.996 -7.482 1.00 11.97 H new ATOM 574 N SER A 35 36.329 -10.186 -5.057 1.00 11.05 N ATOM 575 CA SER A 35 37.034 -9.069 -4.450 1.00 11.21 C ATOM 576 C SER A 35 36.486 -8.755 -3.054 1.00 10.64 C ATOM 577 O SER A 35 36.114 -7.616 -2.765 1.00 10.19 O ATOM 578 CB SER A 35 36.912 -7.843 -5.357 1.00 11.48 C ATOM 579 OG SER A 35 37.294 -8.156 -6.685 1.00 12.02 O ATOM 0 H SER A 35 35.585 -9.913 -5.698 1.00 11.05 H new ATOM 0 HA SER A 35 38.084 -9.340 -4.337 1.00 11.21 H new ATOM 0 HB2 SER A 35 35.885 -7.479 -5.346 1.00 11.48 H new ATOM 0 HB3 SER A 35 37.540 -7.038 -4.974 1.00 11.48 H new ATOM 0 HG SER A 35 37.206 -7.358 -7.247 1.00 12.02 H new ATOM 585 N GLN A 36 36.449 -9.763 -2.183 1.00 10.85 N ATOM 586 CA GLN A 36 35.941 -9.585 -0.823 1.00 10.51 C ATOM 587 C GLN A 36 36.872 -8.684 -0.021 1.00 10.66 C ATOM 588 O GLN A 36 36.436 -7.923 0.845 1.00 10.26 O ATOM 589 CB GLN A 36 35.782 -10.928 -0.115 1.00 11.11 C ATOM 590 CG GLN A 36 37.055 -11.755 -0.044 1.00 11.25 C ATOM 591 CD GLN A 36 36.899 -12.999 0.807 1.00 11.80 C ATOM 592 OE1 GLN A 36 35.811 -13.569 0.908 1.00 12.14 O ATOM 593 NE2 GLN A 36 37.987 -13.431 1.426 1.00 12.09 N ATOM 0 H GLN A 36 36.764 -10.710 -2.394 1.00 10.85 H new ATOM 0 HA GLN A 36 34.960 -9.114 -0.892 1.00 10.51 H new ATOM 0 HB2 GLN A 36 35.422 -10.750 0.898 1.00 11.11 H new ATOM 0 HB3 GLN A 36 35.015 -11.507 -0.629 1.00 11.11 H new ATOM 0 HG2 GLN A 36 37.352 -12.045 -1.052 1.00 11.25 H new ATOM 0 HG3 GLN A 36 37.860 -11.141 0.361 1.00 11.25 H new ATOM 0 HE21 GLN A 36 38.869 -12.930 1.316 1.00 12.09 H new ATOM 0 HE22 GLN A 36 37.943 -14.264 2.012 1.00 12.09 H new ATOM 602 N GLU A 37 38.156 -8.794 -0.323 1.00 11.37 N ATOM 603 CA GLU A 37 39.179 -7.946 0.276 1.00 11.85 C ATOM 604 C GLU A 37 38.867 -6.467 0.059 1.00 11.40 C ATOM 605 O GLU A 37 39.151 -5.630 0.913 1.00 11.56 O ATOM 606 CB GLU A 37 40.547 -8.285 -0.318 1.00 12.76 C ATOM 607 CG GLU A 37 40.584 -8.203 -1.836 1.00 12.82 C ATOM 608 CD GLU A 37 41.882 -8.707 -2.419 1.00 13.79 C ATOM 609 OE1 GLU A 37 42.140 -9.923 -2.340 1.00 14.44 O ATOM 610 OE2 GLU A 37 42.658 -7.886 -2.958 1.00 13.98 O ATOM 0 H GLU A 37 38.520 -9.474 -0.991 1.00 11.37 H new ATOM 0 HA GLU A 37 39.192 -8.134 1.350 1.00 11.85 H new ATOM 0 HB2 GLU A 37 41.292 -7.604 0.093 1.00 12.76 H new ATOM 0 HB3 GLU A 37 40.830 -9.291 -0.009 1.00 12.76 H new ATOM 0 HG2 GLU A 37 39.757 -8.783 -2.247 1.00 12.82 H new ATOM 0 HG3 GLU A 37 40.431 -7.168 -2.143 1.00 12.82 H new ATOM 617 N VAL A 38 38.261 -6.158 -1.078 1.00 11.01 N ATOM 618 CA VAL A 38 37.912 -4.787 -1.408 1.00 10.78 C ATOM 619 C VAL A 38 36.607 -4.401 -0.725 1.00 9.91 C ATOM 620 O VAL A 38 36.462 -3.289 -0.223 1.00 9.82 O ATOM 621 CB VAL A 38 37.775 -4.591 -2.936 1.00 10.99 C ATOM 622 CG1 VAL A 38 37.470 -3.139 -3.274 1.00 11.05 C ATOM 623 CG2 VAL A 38 39.036 -5.053 -3.653 1.00 11.61 C ATOM 0 H VAL A 38 38.001 -6.842 -1.789 1.00 11.01 H new ATOM 0 HA VAL A 38 38.717 -4.144 -1.052 1.00 10.78 H new ATOM 0 HB VAL A 38 36.940 -5.202 -3.280 1.00 10.99 H new ATOM 0 HG11 VAL A 38 37.379 -3.028 -4.355 1.00 11.05 H new ATOM 0 HG12 VAL A 38 36.535 -2.843 -2.799 1.00 11.05 H new ATOM 0 HG13 VAL A 38 38.278 -2.504 -2.911 1.00 11.05 H new ATOM 0 HG21 VAL A 38 38.918 -4.906 -4.727 1.00 11.61 H new ATOM 0 HG22 VAL A 38 39.889 -4.474 -3.299 1.00 11.61 H new ATOM 0 HG23 VAL A 38 39.205 -6.110 -3.447 1.00 11.61 H new ATOM 633 N LYS A 39 35.680 -5.358 -0.677 1.00 9.40 N ATOM 634 CA LYS A 39 34.351 -5.137 -0.111 1.00 8.62 C ATOM 635 C LYS A 39 34.429 -4.586 1.301 1.00 8.49 C ATOM 636 O LYS A 39 33.679 -3.682 1.650 1.00 8.00 O ATOM 637 CB LYS A 39 33.550 -6.437 -0.083 1.00 8.48 C ATOM 638 CG LYS A 39 33.248 -7.015 -1.450 1.00 8.87 C ATOM 639 CD LYS A 39 32.307 -8.201 -1.341 1.00 8.96 C ATOM 640 CE LYS A 39 31.917 -8.739 -2.705 1.00 9.53 C ATOM 641 NZ LYS A 39 30.933 -9.847 -2.597 1.00 9.78 N ATOM 0 H LYS A 39 35.829 -6.304 -1.028 1.00 9.40 H new ATOM 0 HA LYS A 39 33.854 -4.408 -0.751 1.00 8.62 H new ATOM 0 HB2 LYS A 39 34.101 -7.177 0.497 1.00 8.48 H new ATOM 0 HB3 LYS A 39 32.610 -6.259 0.439 1.00 8.48 H new ATOM 0 HG2 LYS A 39 32.801 -6.248 -2.083 1.00 8.87 H new ATOM 0 HG3 LYS A 39 34.176 -7.325 -1.931 1.00 8.87 H new ATOM 0 HD2 LYS A 39 32.784 -8.991 -0.762 1.00 8.96 H new ATOM 0 HD3 LYS A 39 31.410 -7.904 -0.797 1.00 8.96 H new ATOM 0 HE2 LYS A 39 31.494 -7.934 -3.307 1.00 9.53 H new ATOM 0 HE3 LYS A 39 32.807 -9.092 -3.225 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 30.347 -9.876 -3.456 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 31.438 -10.750 -2.492 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 30.325 -9.692 -1.768 1.00 9.78 H new ATOM 655 N ASN A 40 35.341 -5.137 2.095 1.00 9.12 N ATOM 656 CA ASN A 40 35.507 -4.753 3.500 1.00 9.38 C ATOM 657 C ASN A 40 35.449 -3.243 3.692 1.00 9.55 C ATOM 658 O ASN A 40 34.635 -2.737 4.465 1.00 9.39 O ATOM 659 CB ASN A 40 36.835 -5.287 4.028 1.00 10.35 C ATOM 660 CG ASN A 40 37.100 -4.894 5.471 1.00 10.85 C ATOM 661 OD1 ASN A 40 37.731 -3.871 5.744 1.00 10.92 O ATOM 662 ND2 ASN A 40 36.619 -5.700 6.405 1.00 11.43 N ATOM 0 H ASN A 40 35.988 -5.863 1.787 1.00 9.12 H new ATOM 0 HA ASN A 40 34.680 -5.189 4.059 1.00 9.38 H new ATOM 0 HB2 ASN A 40 36.842 -6.374 3.946 1.00 10.35 H new ATOM 0 HB3 ASN A 40 37.645 -4.915 3.401 1.00 10.35 H new ATOM 0 HD21 ASN A 40 36.766 -5.483 7.391 1.00 11.43 H new ATOM 0 HD22 ASN A 40 36.102 -6.538 6.139 1.00 11.43 H new ATOM 669 N ALA A 41 36.309 -2.531 2.985 1.00 10.04 N ATOM 670 CA ALA A 41 36.334 -1.082 3.078 1.00 10.52 C ATOM 671 C ALA A 41 35.278 -0.471 2.170 1.00 9.85 C ATOM 672 O ALA A 41 34.534 0.424 2.577 1.00 10.08 O ATOM 673 CB ALA A 41 37.712 -0.547 2.724 1.00 11.43 C ATOM 0 H ALA A 41 36.995 -2.929 2.344 1.00 10.04 H new ATOM 0 HA ALA A 41 36.110 -0.801 4.107 1.00 10.52 H new ATOM 0 HB1 ALA A 41 37.711 0.540 2.799 1.00 11.43 H new ATOM 0 HB2 ALA A 41 38.450 -0.958 3.413 1.00 11.43 H new ATOM 0 HB3 ALA A 41 37.965 -0.840 1.705 1.00 11.43 H new ATOM 679 N ALA A 42 35.197 -0.987 0.950 1.00 9.19 N ATOM 680 CA ALA A 42 34.340 -0.413 -0.076 1.00 8.71 C ATOM 681 C ALA A 42 32.873 -0.414 0.331 1.00 7.86 C ATOM 682 O ALA A 42 32.239 0.629 0.353 1.00 7.82 O ATOM 683 CB ALA A 42 34.519 -1.148 -1.397 1.00 8.58 C ATOM 0 H ALA A 42 35.720 -1.809 0.647 1.00 9.19 H new ATOM 0 HA ALA A 42 34.644 0.626 -0.200 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.870 -0.704 -2.151 1.00 8.58 H new ATOM 0 HB2 ALA A 42 35.557 -1.069 -1.720 1.00 8.58 H new ATOM 0 HB3 ALA A 42 34.259 -2.198 -1.267 1.00 8.58 H new ATOM 689 N THR A 43 32.355 -1.575 0.705 1.00 7.35 N ATOM 690 CA THR A 43 30.916 -1.737 0.920 1.00 6.63 C ATOM 691 C THR A 43 30.394 -0.766 1.986 1.00 6.87 C ATOM 692 O THR A 43 29.257 -0.301 1.915 1.00 6.42 O ATOM 693 CB THR A 43 30.554 -3.198 1.307 1.00 6.60 C ATOM 694 OG1 THR A 43 29.156 -3.438 1.092 1.00 6.93 O ATOM 695 CG2 THR A 43 30.887 -3.494 2.762 1.00 6.92 C ATOM 0 H THR A 43 32.904 -2.419 0.867 1.00 7.35 H new ATOM 0 HA THR A 43 30.429 -1.504 -0.027 1.00 6.63 H new ATOM 0 HB THR A 43 31.149 -3.856 0.673 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.941 -4.362 1.338 1.00 6.93 H new ATOM 0 HG21 THR A 43 30.619 -4.525 2.994 1.00 6.92 H new ATOM 0 HG22 THR A 43 31.955 -3.350 2.927 1.00 6.92 H new ATOM 0 HG23 THR A 43 30.326 -2.819 3.408 1.00 6.92 H new ATOM 703 N GLU A 44 31.243 -0.439 2.952 1.00 7.76 N ATOM 704 CA GLU A 44 30.845 0.417 4.059 1.00 8.32 C ATOM 705 C GLU A 44 30.956 1.892 3.689 1.00 8.48 C ATOM 706 O GLU A 44 30.053 2.678 3.969 1.00 8.35 O ATOM 707 CB GLU A 44 31.710 0.116 5.279 1.00 9.53 C ATOM 708 CG GLU A 44 31.671 -1.341 5.699 1.00 10.03 C ATOM 709 CD GLU A 44 30.316 -1.770 6.233 1.00 11.07 C ATOM 710 OE1 GLU A 44 30.165 -1.918 7.466 1.00 11.69 O ATOM 711 OE2 GLU A 44 29.386 -1.953 5.418 1.00 11.42 O ATOM 0 H GLU A 44 32.212 -0.755 2.990 1.00 7.76 H new ATOM 0 HA GLU A 44 29.801 0.209 4.292 1.00 8.32 H new ATOM 0 HB2 GLU A 44 32.741 0.397 5.063 1.00 9.53 H new ATOM 0 HB3 GLU A 44 31.379 0.736 6.112 1.00 9.53 H new ATOM 0 HG2 GLU A 44 31.933 -1.966 4.846 1.00 10.03 H new ATOM 0 HG3 GLU A 44 32.428 -1.513 6.464 1.00 10.03 H new ATOM 718 N THR A 45 32.055 2.258 3.049 1.00 8.95 N ATOM 719 CA THR A 45 32.337 3.655 2.756 1.00 9.49 C ATOM 720 C THR A 45 31.634 4.086 1.473 1.00 8.79 C ATOM 721 O THR A 45 31.297 5.252 1.296 1.00 9.04 O ATOM 722 CB THR A 45 33.861 3.929 2.651 1.00 10.61 C ATOM 723 OG1 THR A 45 34.113 5.338 2.658 1.00 11.34 O ATOM 724 CG2 THR A 45 34.455 3.323 1.387 1.00 11.01 C ATOM 0 H THR A 45 32.768 1.606 2.722 1.00 8.95 H new ATOM 0 HA THR A 45 31.952 4.244 3.588 1.00 9.49 H new ATOM 0 HB THR A 45 34.335 3.462 3.514 1.00 10.61 H new ATOM 0 HG1 THR A 45 35.078 5.498 2.593 1.00 11.34 H new ATOM 0 HG21 THR A 45 35.523 3.536 1.349 1.00 11.01 H new ATOM 0 HG22 THR A 45 34.300 2.244 1.393 1.00 11.01 H new ATOM 0 HG23 THR A 45 33.968 3.755 0.513 1.00 11.01 H new ATOM 732 N LEU A 46 31.399 3.131 0.591 1.00 8.07 N ATOM 733 CA LEU A 46 30.719 3.392 -0.661 1.00 7.71 C ATOM 734 C LEU A 46 29.248 3.647 -0.429 1.00 6.77 C ATOM 735 O LEU A 46 28.716 4.650 -0.876 1.00 6.93 O ATOM 736 CB LEU A 46 30.897 2.212 -1.613 1.00 7.55 C ATOM 737 CG LEU A 46 31.814 2.470 -2.804 1.00 7.70 C ATOM 738 CD1 LEU A 46 31.177 3.458 -3.768 1.00 7.76 C ATOM 739 CD2 LEU A 46 33.154 2.989 -2.318 1.00 8.22 C ATOM 0 H LEU A 46 31.673 2.158 0.723 1.00 8.07 H new ATOM 0 HA LEU A 46 31.159 4.283 -1.109 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.291 1.367 -1.048 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.917 1.917 -1.987 1.00 7.55 H new ATOM 0 HG LEU A 46 31.970 1.532 -3.337 1.00 7.70 H new ATOM 0 HD11 LEU A 46 31.847 3.628 -4.610 1.00 7.76 H new ATOM 0 HD12 LEU A 46 30.232 3.054 -4.132 1.00 7.76 H new ATOM 0 HD13 LEU A 46 30.994 4.401 -3.254 1.00 7.76 H new ATOM 0 HD21 LEU A 46 33.805 3.172 -3.173 1.00 8.22 H new ATOM 0 HD22 LEU A 46 33.007 3.919 -1.769 1.00 8.22 H new ATOM 0 HD23 LEU A 46 33.614 2.250 -1.663 1.00 8.22 H new ATOM 751 N LEU A 47 28.598 2.749 0.296 1.00 5.99 N ATOM 752 CA LEU A 47 27.170 2.877 0.543 1.00 5.15 C ATOM 753 C LEU A 47 26.894 4.087 1.432 1.00 5.48 C ATOM 754 O LEU A 47 25.820 4.676 1.374 1.00 5.21 O ATOM 755 CB LEU A 47 26.618 1.600 1.185 1.00 4.73 C ATOM 756 CG LEU A 47 25.089 1.474 1.186 1.00 4.22 C ATOM 757 CD1 LEU A 47 24.554 1.373 -0.238 1.00 4.20 C ATOM 758 CD2 LEU A 47 24.658 0.266 2.005 1.00 4.34 C ATOM 0 H LEU A 47 29.033 1.930 0.721 1.00 5.99 H new ATOM 0 HA LEU A 47 26.664 3.025 -0.411 1.00 5.15 H new ATOM 0 HB2 LEU A 47 27.036 0.740 0.662 1.00 4.73 H new ATOM 0 HB3 LEU A 47 26.971 1.549 2.215 1.00 4.73 H new ATOM 0 HG LEU A 47 24.671 2.371 1.643 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.468 1.284 -0.213 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.833 2.267 -0.796 1.00 4.20 H new ATOM 0 HD13 LEU A 47 24.979 0.495 -0.725 1.00 4.20 H new ATOM 0 HD21 LEU A 47 23.571 0.190 1.996 1.00 4.34 H new ATOM 0 HD22 LEU A 47 25.089 -0.638 1.574 1.00 4.34 H new ATOM 0 HD23 LEU A 47 25.006 0.380 3.032 1.00 4.34 H new ATOM 770 N VAL A 48 27.879 4.463 2.240 1.00 6.32 N ATOM 771 CA VAL A 48 27.736 5.608 3.131 1.00 6.92 C ATOM 772 C VAL A 48 28.000 6.917 2.379 1.00 7.62 C ATOM 773 O VAL A 48 27.440 7.961 2.712 1.00 7.93 O ATOM 774 CB VAL A 48 28.675 5.487 4.359 1.00 7.91 C ATOM 775 CG1 VAL A 48 30.076 5.990 4.054 1.00 7.84 C ATOM 776 CG2 VAL A 48 28.098 6.212 5.559 1.00 8.67 C ATOM 0 H VAL A 48 28.783 3.993 2.296 1.00 6.32 H new ATOM 0 HA VAL A 48 26.708 5.619 3.495 1.00 6.92 H new ATOM 0 HB VAL A 48 28.752 4.427 4.599 1.00 7.91 H new ATOM 0 HG11 VAL A 48 30.701 5.887 4.941 1.00 7.84 H new ATOM 0 HG12 VAL A 48 30.503 5.405 3.239 1.00 7.84 H new ATOM 0 HG13 VAL A 48 30.030 7.039 3.762 1.00 7.84 H new ATOM 0 HG21 VAL A 48 28.777 6.111 6.406 1.00 8.67 H new ATOM 0 HG22 VAL A 48 27.971 7.268 5.320 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.131 5.779 5.815 1.00 8.67 H new ATOM 786 N GLN A 49 28.865 6.854 1.373 1.00 8.03 N ATOM 787 CA GLN A 49 29.158 8.011 0.537 1.00 8.97 C ATOM 788 C GLN A 49 28.092 8.182 -0.535 1.00 8.65 C ATOM 789 O GLN A 49 27.582 9.280 -0.758 1.00 9.36 O ATOM 790 CB GLN A 49 30.533 7.855 -0.120 1.00 9.65 C ATOM 791 CG GLN A 49 30.846 8.944 -1.133 1.00 10.72 C ATOM 792 CD GLN A 49 32.168 8.731 -1.839 1.00 11.48 C ATOM 793 OE1 GLN A 49 32.226 8.081 -2.882 1.00 11.55 O ATOM 794 NE2 GLN A 49 33.233 9.285 -1.290 1.00 12.22 N ATOM 0 H GLN A 49 29.377 6.010 1.116 1.00 8.03 H new ATOM 0 HA GLN A 49 29.163 8.898 1.171 1.00 8.97 H new ATOM 0 HB2 GLN A 49 31.300 7.859 0.655 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.583 6.885 -0.614 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.047 8.985 -1.873 1.00 10.72 H new ATOM 0 HG3 GLN A 49 30.861 9.910 -0.627 1.00 10.72 H new ATOM 0 HE21 GLN A 49 33.142 9.816 -0.424 1.00 12.22 H new ATOM 0 HE22 GLN A 49 34.147 9.182 -1.732 1.00 12.22 H new ATOM 803 N ASN A 50 27.765 7.082 -1.195 1.00 7.73 N ATOM 804 CA ASN A 50 26.813 7.085 -2.302 1.00 7.72 C ATOM 805 C ASN A 50 25.384 7.339 -1.834 1.00 7.17 C ATOM 806 O ASN A 50 24.510 7.660 -2.642 1.00 7.27 O ATOM 807 CB ASN A 50 26.876 5.754 -3.055 1.00 7.34 C ATOM 808 CG ASN A 50 28.065 5.657 -3.993 1.00 7.66 C ATOM 809 OD1 ASN A 50 29.096 6.300 -3.790 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.936 4.836 -5.020 1.00 7.49 N ATOM 0 H ASN A 50 28.150 6.162 -0.981 1.00 7.73 H new ATOM 0 HA ASN A 50 27.096 7.902 -2.966 1.00 7.72 H new ATOM 0 HB2 ASN A 50 26.922 4.937 -2.334 1.00 7.34 H new ATOM 0 HB3 ASN A 50 25.958 5.623 -3.627 1.00 7.34 H new ATOM 0 HD21 ASN A 50 28.706 4.718 -5.678 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.066 4.321 -5.155 1.00 7.49 H new ATOM 817 N ALA A 51 25.139 7.201 -0.542 1.00 6.83 N ATOM 818 CA ALA A 51 23.812 7.431 -0.009 1.00 6.42 C ATOM 819 C ALA A 51 23.508 8.918 0.004 1.00 7.39 C ATOM 820 O ALA A 51 24.414 9.752 0.091 1.00 8.36 O ATOM 821 CB ALA A 51 23.686 6.849 1.388 1.00 5.86 C ATOM 0 H ALA A 51 25.838 6.933 0.151 1.00 6.83 H new ATOM 0 HA ALA A 51 23.087 6.930 -0.651 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.682 7.033 1.770 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.870 5.775 1.353 1.00 5.86 H new ATOM 0 HB3 ALA A 51 24.416 7.321 2.046 1.00 5.86 H new ATOM 827 N ASN A 52 22.233 9.245 -0.102 1.00 7.23 N ATOM 828 CA ASN A 52 21.795 10.627 -0.052 1.00 8.14 C ATOM 829 C ASN A 52 21.996 11.173 1.357 1.00 8.57 C ATOM 830 O ASN A 52 21.681 10.489 2.329 1.00 8.09 O ATOM 831 CB ASN A 52 20.322 10.722 -0.476 1.00 7.94 C ATOM 832 CG ASN A 52 19.747 12.113 -0.310 1.00 8.81 C ATOM 833 OD1 ASN A 52 19.928 12.981 -1.164 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.018 12.322 0.773 1.00 9.07 N ATOM 0 H ASN A 52 21.480 8.568 -0.224 1.00 7.23 H new ATOM 0 HA ASN A 52 22.387 11.227 -0.743 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.230 10.419 -1.519 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.734 10.019 0.114 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.580 13.231 0.926 1.00 9.07 H new ATOM 0 HD22 ASN A 52 18.893 11.575 1.456 1.00 9.07 H new ATOM 841 N PRO A 53 22.539 12.401 1.483 1.00 9.68 N ATOM 842 CA PRO A 53 22.890 13.013 2.769 1.00 10.41 C ATOM 843 C PRO A 53 21.877 12.725 3.871 1.00 10.13 C ATOM 844 O PRO A 53 22.234 12.254 4.947 1.00 10.29 O ATOM 845 CB PRO A 53 22.929 14.520 2.459 1.00 11.56 C ATOM 846 CG PRO A 53 22.607 14.655 1.000 1.00 11.66 C ATOM 847 CD PRO A 53 22.859 13.310 0.381 1.00 10.51 C ATOM 0 HA PRO A 53 23.830 12.614 3.149 1.00 10.41 H new ATOM 0 HB2 PRO A 53 22.206 15.062 3.069 1.00 11.56 H new ATOM 0 HB3 PRO A 53 23.911 14.938 2.681 1.00 11.56 H new ATOM 0 HG2 PRO A 53 21.570 14.959 0.858 1.00 11.66 H new ATOM 0 HG3 PRO A 53 23.230 15.419 0.534 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.225 13.136 -0.488 1.00 10.51 H new ATOM 0 HD3 PRO A 53 23.892 13.201 0.049 1.00 10.51 H new ATOM 855 N ASP A 54 20.610 12.963 3.567 1.00 9.86 N ATOM 856 CA ASP A 54 19.538 12.853 4.521 1.00 9.76 C ATOM 857 C ASP A 54 19.413 11.444 5.090 1.00 8.93 C ATOM 858 O ASP A 54 19.310 11.258 6.300 1.00 9.26 O ATOM 859 CB ASP A 54 18.247 13.229 3.816 1.00 9.71 C ATOM 860 CG ASP A 54 18.309 14.597 3.165 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.245 15.609 3.895 1.00 10.64 O ATOM 862 OD2 ASP A 54 18.406 14.669 1.927 1.00 9.67 O ATOM 0 H ASP A 54 20.302 13.241 2.635 1.00 9.86 H new ATOM 0 HA ASP A 54 19.746 13.519 5.358 1.00 9.76 H new ATOM 0 HB2 ASP A 54 18.022 12.480 3.056 1.00 9.71 H new ATOM 0 HB3 ASP A 54 17.428 13.211 4.534 1.00 9.71 H new ATOM 867 N CYS A 55 19.449 10.458 4.212 1.00 8.04 N ATOM 868 CA CYS A 55 19.133 9.089 4.592 1.00 7.30 C ATOM 869 C CYS A 55 20.274 8.442 5.372 1.00 7.57 C ATOM 870 O CYS A 55 20.041 7.753 6.361 1.00 7.74 O ATOM 871 CB CYS A 55 18.762 8.253 3.363 1.00 6.46 C ATOM 872 SG CYS A 55 20.086 8.045 2.151 1.00 6.30 S ATOM 0 H CYS A 55 19.694 10.578 3.229 1.00 8.04 H new ATOM 0 HA CYS A 55 18.267 9.124 5.253 1.00 7.30 H new ATOM 0 HB2 CYS A 55 18.438 7.267 3.697 1.00 6.46 H new ATOM 0 HB3 CYS A 55 17.909 8.719 2.870 1.00 6.46 H new ATOM 0 HG CYS A 55 20.723 9.169 2.007 1.00 6.30 H new ATOM 878 N LYS A 56 21.510 8.677 4.955 1.00 7.87 N ATOM 879 CA LYS A 56 22.650 8.112 5.669 1.00 8.36 C ATOM 880 C LYS A 56 22.845 8.839 6.995 1.00 9.50 C ATOM 881 O LYS A 56 23.432 8.305 7.937 1.00 10.04 O ATOM 882 CB LYS A 56 23.917 8.172 4.814 1.00 8.58 C ATOM 883 CG LYS A 56 24.472 9.570 4.611 1.00 8.84 C ATOM 884 CD LYS A 56 24.956 9.767 3.194 1.00 8.68 C ATOM 885 CE LYS A 56 25.942 10.915 3.085 1.00 9.50 C ATOM 886 NZ LYS A 56 27.245 10.597 3.725 1.00 9.81 N ATOM 0 H LYS A 56 21.749 9.244 4.141 1.00 7.87 H new ATOM 0 HA LYS A 56 22.447 7.061 5.877 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.684 7.554 5.280 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.704 7.734 3.839 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.702 10.306 4.840 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.294 9.742 5.306 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.427 8.850 2.841 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.103 9.958 2.543 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.104 11.154 2.034 1.00 9.50 H new ATOM 0 HE3 LYS A 56 25.516 11.803 3.552 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 27.972 11.253 3.376 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.158 10.693 4.757 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.518 9.621 3.490 1.00 9.81 H new ATOM 900 N THR A 57 22.351 10.066 7.053 1.00 9.98 N ATOM 901 CA THR A 57 22.325 10.832 8.288 1.00 11.08 C ATOM 902 C THR A 57 21.335 10.230 9.293 1.00 11.16 C ATOM 903 O THR A 57 21.657 10.064 10.468 1.00 12.08 O ATOM 904 CB THR A 57 21.961 12.307 8.007 1.00 11.53 C ATOM 905 OG1 THR A 57 23.042 12.955 7.323 1.00 12.00 O ATOM 906 CG2 THR A 57 21.643 13.064 9.283 1.00 12.46 C ATOM 0 H THR A 57 21.959 10.556 6.249 1.00 9.98 H new ATOM 0 HA THR A 57 23.323 10.791 8.723 1.00 11.08 H new ATOM 0 HB THR A 57 21.068 12.311 7.382 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.955 12.805 6.358 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.392 14.097 9.041 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.797 12.593 9.784 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.511 13.046 9.942 1.00 12.46 H new ATOM 914 N ILE A 58 20.141 9.879 8.831 1.00 10.34 N ATOM 915 CA ILE A 58 19.110 9.363 9.728 1.00 10.60 C ATOM 916 C ILE A 58 19.388 7.921 10.163 1.00 10.65 C ATOM 917 O ILE A 58 18.935 7.495 11.226 1.00 11.46 O ATOM 918 CB ILE A 58 17.682 9.492 9.126 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.563 8.833 7.748 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.284 10.956 9.036 1.00 10.22 C ATOM 921 CD1 ILE A 58 17.186 7.368 7.785 1.00 8.44 C ATOM 0 H ILE A 58 19.863 9.940 7.852 1.00 10.34 H new ATOM 0 HA ILE A 58 19.148 9.990 10.618 1.00 10.60 H new ATOM 0 HB ILE A 58 17.003 8.964 9.796 1.00 9.96 H new ATOM 0 HG12 ILE A 58 16.817 9.373 7.164 1.00 8.86 H new ATOM 0 HG13 ILE A 58 18.514 8.938 7.226 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.283 11.035 8.613 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.293 11.397 10.033 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.990 11.487 8.398 1.00 10.22 H new ATOM 0 HD11 ILE A 58 17.124 6.982 6.767 1.00 8.44 H new ATOM 0 HD12 ILE A 58 17.942 6.812 8.338 1.00 8.44 H new ATOM 0 HD13 ILE A 58 16.220 7.253 8.276 1.00 8.44 H new ATOM 933 N LEU A 59 20.154 7.188 9.357 1.00 9.90 N ATOM 934 CA LEU A 59 20.485 5.790 9.658 1.00 9.98 C ATOM 935 C LEU A 59 21.141 5.650 11.026 1.00 11.20 C ATOM 936 O LEU A 59 20.774 4.780 11.816 1.00 11.84 O ATOM 937 CB LEU A 59 21.427 5.209 8.596 1.00 9.07 C ATOM 938 CG LEU A 59 20.808 4.953 7.221 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.855 4.410 6.260 1.00 7.28 C ATOM 940 CD2 LEU A 59 19.643 3.985 7.334 1.00 7.92 C ATOM 0 H LEU A 59 20.559 7.537 8.488 1.00 9.90 H new ATOM 0 HA LEU A 59 19.545 5.237 9.657 1.00 9.98 H new ATOM 0 HB2 LEU A 59 22.268 5.891 8.473 1.00 9.07 H new ATOM 0 HB3 LEU A 59 21.831 4.269 8.972 1.00 9.07 H new ATOM 0 HG LEU A 59 20.435 5.900 6.830 1.00 7.91 H new ATOM 0 HD11 LEU A 59 21.398 4.233 5.286 1.00 7.28 H new ATOM 0 HD12 LEU A 59 22.663 5.134 6.156 1.00 7.28 H new ATOM 0 HD13 LEU A 59 22.255 3.473 6.649 1.00 7.28 H new ATOM 0 HD21 LEU A 59 19.215 3.814 6.346 1.00 7.92 H new ATOM 0 HD22 LEU A 59 19.995 3.039 7.745 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.882 4.406 7.991 1.00 7.92 H new ATOM 952 N LYS A 60 22.096 6.525 11.309 1.00 11.67 N ATOM 953 CA LYS A 60 22.885 6.427 12.532 1.00 12.90 C ATOM 954 C LYS A 60 22.050 6.761 13.766 1.00 13.86 C ATOM 955 O LYS A 60 22.394 6.380 14.883 1.00 14.91 O ATOM 956 CB LYS A 60 24.114 7.341 12.440 1.00 13.23 C ATOM 957 CG LYS A 60 23.776 8.791 12.145 1.00 13.20 C ATOM 958 CD LYS A 60 24.979 9.578 11.638 1.00 13.44 C ATOM 959 CE LYS A 60 25.879 10.076 12.764 1.00 14.35 C ATOM 960 NZ LYS A 60 26.601 8.977 13.461 1.00 14.91 N ATOM 0 H LYS A 60 22.344 7.312 10.709 1.00 11.67 H new ATOM 0 HA LYS A 60 23.221 5.395 12.638 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.665 7.290 13.379 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.777 6.966 11.660 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.980 8.831 11.402 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.392 9.263 13.049 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.562 8.948 10.965 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.630 10.430 11.055 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.605 10.779 12.357 1.00 14.35 H new ATOM 0 HE3 LYS A 60 25.276 10.624 13.488 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.518 9.327 13.805 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 26.033 8.645 14.267 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 26.757 8.190 12.800 1.00 14.91 H new ATOM 974 N ALA A 61 20.950 7.473 13.565 1.00 13.54 N ATOM 975 CA ALA A 61 20.044 7.795 14.657 1.00 14.41 C ATOM 976 C ALA A 61 19.061 6.651 14.899 1.00 14.65 C ATOM 977 O ALA A 61 18.671 6.380 16.036 1.00 15.64 O ATOM 978 CB ALA A 61 19.297 9.087 14.365 1.00 14.06 C ATOM 0 H ALA A 61 20.664 7.838 12.657 1.00 13.54 H new ATOM 0 HA ALA A 61 20.635 7.934 15.562 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.624 9.313 15.192 1.00 14.06 H new ATOM 0 HB2 ALA A 61 20.012 9.901 14.246 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.719 8.974 13.447 1.00 14.06 H new ATOM 984 N LEU A 62 18.673 5.983 13.820 1.00 13.84 N ATOM 985 CA LEU A 62 17.696 4.903 13.889 1.00 14.21 C ATOM 986 C LEU A 62 18.327 3.587 14.312 1.00 14.97 C ATOM 987 O LEU A 62 17.657 2.749 14.898 1.00 15.72 O ATOM 988 CB LEU A 62 17.041 4.725 12.528 1.00 13.37 C ATOM 989 CG LEU A 62 16.291 5.941 12.019 1.00 12.15 C ATOM 990 CD1 LEU A 62 15.907 5.738 10.572 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.058 6.198 12.873 1.00 12.25 C ATOM 0 H LEU A 62 19.023 6.172 12.881 1.00 13.84 H new ATOM 0 HA LEU A 62 16.955 5.177 14.640 1.00 14.21 H new ATOM 0 HB2 LEU A 62 17.810 4.460 11.802 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.349 3.885 12.581 1.00 13.37 H new ATOM 0 HG LEU A 62 16.940 6.814 12.088 1.00 12.15 H new ATOM 0 HD11 LEU A 62 15.369 6.615 10.212 1.00 11.39 H new ATOM 0 HD12 LEU A 62 16.807 5.594 9.974 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.268 4.859 10.485 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.530 7.074 12.496 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.399 5.331 12.831 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.361 6.374 13.905 1.00 12.25 H new ATOM 1055 N LEU A 68 16.639 -3.216 10.077 1.00 12.22 N ATOM 1056 CA LEU A 68 16.944 -2.997 8.666 1.00 11.25 C ATOM 1057 C LEU A 68 15.719 -2.482 7.909 1.00 11.10 C ATOM 1058 O LEU A 68 15.809 -1.510 7.160 1.00 10.12 O ATOM 1059 CB LEU A 68 17.459 -4.306 8.040 1.00 11.69 C ATOM 1060 CG LEU A 68 18.276 -4.180 6.739 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.397 -3.795 5.555 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.406 -3.173 6.908 1.00 9.79 C ATOM 0 HA LEU A 68 17.720 -2.235 8.592 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.075 -4.817 8.780 1.00 11.69 H new ATOM 0 HB3 LEU A 68 16.601 -4.948 7.841 1.00 11.69 H new ATOM 0 HG LEU A 68 18.706 -5.160 6.529 1.00 10.84 H new ATOM 0 HD11 LEU A 68 18.010 -3.716 4.657 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.632 -4.557 5.407 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.919 -2.836 5.753 1.00 10.70 H new ATOM 0 HD21 LEU A 68 19.970 -3.100 5.978 1.00 9.79 H new ATOM 0 HD22 LEU A 68 18.989 -2.197 7.158 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.068 -3.501 7.709 1.00 9.79 H new ATOM 1074 N GLU A 69 14.569 -3.098 8.139 1.00 12.16 N ATOM 1075 CA GLU A 69 13.379 -2.774 7.368 1.00 12.26 C ATOM 1076 C GLU A 69 12.821 -1.411 7.752 1.00 11.96 C ATOM 1077 O GLU A 69 12.210 -0.725 6.933 1.00 11.57 O ATOM 1078 CB GLU A 69 12.312 -3.857 7.547 1.00 13.61 C ATOM 1079 CG GLU A 69 11.940 -4.121 8.996 1.00 14.60 C ATOM 1080 CD GLU A 69 10.848 -5.159 9.133 1.00 15.86 C ATOM 1081 OE1 GLU A 69 11.133 -6.355 8.935 1.00 16.53 O ATOM 1082 OE2 GLU A 69 9.699 -4.781 9.456 1.00 16.24 O ATOM 0 H GLU A 69 14.435 -3.819 8.848 1.00 12.16 H new ATOM 0 HA GLU A 69 13.666 -2.733 6.317 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.416 -3.564 7.000 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.671 -4.784 7.099 1.00 13.61 H new ATOM 0 HG2 GLU A 69 12.824 -4.454 9.540 1.00 14.60 H new ATOM 0 HG3 GLU A 69 11.613 -3.190 9.459 1.00 14.60 H new ATOM 1089 N GLU A 70 13.063 -1.002 8.986 1.00 12.26 N ATOM 1090 CA GLU A 70 12.504 0.234 9.491 1.00 12.19 C ATOM 1091 C GLU A 70 13.332 1.422 9.030 1.00 10.92 C ATOM 1092 O GLU A 70 12.796 2.486 8.725 1.00 10.57 O ATOM 1093 CB GLU A 70 12.435 0.165 11.008 1.00 13.06 C ATOM 1094 CG GLU A 70 11.962 -1.192 11.494 1.00 14.21 C ATOM 1095 CD GLU A 70 11.744 -1.246 12.986 1.00 15.02 C ATOM 1096 OE1 GLU A 70 10.662 -0.824 13.436 1.00 15.56 O ATOM 1097 OE2 GLU A 70 12.658 -1.693 13.710 1.00 15.23 O ATOM 0 H GLU A 70 13.643 -1.510 9.654 1.00 12.26 H new ATOM 0 HA GLU A 70 11.496 0.368 9.098 1.00 12.19 H new ATOM 0 HB2 GLU A 70 13.419 0.377 11.426 1.00 13.06 H new ATOM 0 HB3 GLU A 70 11.760 0.937 11.376 1.00 13.06 H new ATOM 0 HG2 GLU A 70 11.031 -1.448 10.988 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.696 -1.947 11.213 1.00 14.21 H new ATOM 1104 N MET A 71 14.642 1.223 8.948 1.00 10.30 N ATOM 1105 CA MET A 71 15.533 2.256 8.439 1.00 9.14 C ATOM 1106 C MET A 71 15.422 2.323 6.919 1.00 8.31 C ATOM 1107 O MET A 71 15.619 3.375 6.317 1.00 7.58 O ATOM 1108 CB MET A 71 16.985 2.000 8.867 1.00 8.85 C ATOM 1109 CG MET A 71 17.601 0.740 8.273 1.00 8.69 C ATOM 1110 SD MET A 71 19.331 0.509 8.740 1.00 8.41 S ATOM 1111 CE MET A 71 19.194 0.369 10.521 1.00 8.50 C ATOM 0 H MET A 71 15.108 0.360 9.226 1.00 10.30 H new ATOM 0 HA MET A 71 15.232 3.214 8.863 1.00 9.14 H new ATOM 0 HB2 MET A 71 17.593 2.858 8.579 1.00 8.85 H new ATOM 0 HB3 MET A 71 17.024 1.932 9.954 1.00 8.85 H new ATOM 0 HG2 MET A 71 17.025 -0.127 8.597 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.527 0.784 7.186 1.00 8.69 H new ATOM 0 HE1 MET A 71 20.100 -0.086 10.921 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.064 1.360 10.955 1.00 8.50 H new ATOM 0 HE3 MET A 71 18.335 -0.253 10.772 1.00 8.50 H new ATOM 1121 N MET A 72 15.080 1.190 6.310 1.00 8.67 N ATOM 1122 CA MET A 72 14.853 1.128 4.871 1.00 8.32 C ATOM 1123 C MET A 72 13.598 1.907 4.502 1.00 8.63 C ATOM 1124 O MET A 72 13.564 2.626 3.503 1.00 8.10 O ATOM 1125 CB MET A 72 14.732 -0.332 4.417 1.00 9.08 C ATOM 1126 CG MET A 72 14.458 -0.496 2.931 1.00 9.10 C ATOM 1127 SD MET A 72 14.532 -2.217 2.394 1.00 10.28 S ATOM 1128 CE MET A 72 13.193 -2.940 3.338 1.00 11.15 C ATOM 0 H MET A 72 14.954 0.301 6.794 1.00 8.67 H new ATOM 0 HA MET A 72 15.703 1.580 4.361 1.00 8.32 H new ATOM 0 HB2 MET A 72 15.654 -0.857 4.666 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.930 -0.811 4.979 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.473 -0.090 2.701 1.00 9.10 H new ATOM 0 HG3 MET A 72 15.184 0.088 2.365 1.00 9.10 H new ATOM 0 HE1 MET A 72 13.602 -3.513 4.170 1.00 11.15 H new ATOM 0 HE2 MET A 72 12.551 -2.148 3.724 1.00 11.15 H new ATOM 0 HE3 MET A 72 12.610 -3.600 2.696 1.00 11.15 H new ATOM 1138 N THR A 73 12.572 1.766 5.326 1.00 9.62 N ATOM 1139 CA THR A 73 11.329 2.501 5.143 1.00 10.09 C ATOM 1140 C THR A 73 11.540 3.988 5.427 1.00 9.53 C ATOM 1141 O THR A 73 10.875 4.849 4.852 1.00 9.49 O ATOM 1142 CB THR A 73 10.223 1.946 6.065 1.00 11.37 C ATOM 1143 OG1 THR A 73 10.101 0.532 5.866 1.00 12.02 O ATOM 1144 CG2 THR A 73 8.883 2.614 5.785 1.00 11.93 C ATOM 0 H THR A 73 12.576 1.144 6.135 1.00 9.62 H new ATOM 0 HA THR A 73 11.015 2.378 4.106 1.00 10.09 H new ATOM 0 HB THR A 73 10.501 2.157 7.097 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.710 0.062 6.473 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.125 2.201 6.450 1.00 11.93 H new ATOM 0 HG22 THR A 73 8.969 3.687 5.954 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.595 2.432 4.750 1.00 11.93 H new ATOM 1152 N ALA A 74 12.489 4.272 6.304 1.00 9.27 N ATOM 1153 CA ALA A 74 12.807 5.637 6.681 1.00 9.02 C ATOM 1154 C ALA A 74 13.570 6.368 5.575 1.00 8.01 C ATOM 1155 O ALA A 74 13.441 7.582 5.420 1.00 8.00 O ATOM 1156 CB ALA A 74 13.610 5.632 7.970 1.00 9.32 C ATOM 0 H ALA A 74 13.057 3.566 6.772 1.00 9.27 H new ATOM 0 HA ALA A 74 11.872 6.176 6.836 1.00 9.02 H new ATOM 0 HB1 ALA A 74 13.849 6.657 8.254 1.00 9.32 H new ATOM 0 HB2 ALA A 74 13.025 5.164 8.761 1.00 9.32 H new ATOM 0 HB3 ALA A 74 14.533 5.072 7.821 1.00 9.32 H new ATOM 1162 N CYS A 75 14.356 5.624 4.804 1.00 7.31 N ATOM 1163 CA CYS A 75 15.195 6.224 3.770 1.00 6.51 C ATOM 1164 C CYS A 75 14.450 6.405 2.453 1.00 6.63 C ATOM 1165 O CYS A 75 14.818 7.254 1.641 1.00 6.46 O ATOM 1166 CB CYS A 75 16.438 5.373 3.529 1.00 5.86 C ATOM 1167 SG CYS A 75 17.507 5.201 4.973 1.00 6.16 S ATOM 0 H CYS A 75 14.430 4.609 4.874 1.00 7.31 H new ATOM 0 HA CYS A 75 15.483 7.210 4.135 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.128 4.381 3.200 1.00 5.86 H new ATOM 0 HB3 CYS A 75 17.014 5.813 2.715 1.00 5.86 H new ATOM 0 HG CYS A 75 17.008 4.311 5.779 1.00 6.16 H new ATOM 1173 N GLN A 76 13.418 5.605 2.225 1.00 7.27 N ATOM 1174 CA GLN A 76 12.675 5.695 0.979 1.00 7.76 C ATOM 1175 C GLN A 76 11.690 6.859 1.033 1.00 8.19 C ATOM 1176 O GLN A 76 10.756 6.873 1.838 1.00 8.73 O ATOM 1177 CB GLN A 76 11.959 4.372 0.666 1.00 8.60 C ATOM 1178 CG GLN A 76 10.971 3.922 1.731 1.00 9.19 C ATOM 1179 CD GLN A 76 10.460 2.515 1.491 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.450 2.306 0.818 1.00 10.49 O ATOM 1181 NE2 GLN A 76 11.163 1.539 2.036 1.00 10.66 N ATOM 0 H GLN A 76 13.081 4.897 2.877 1.00 7.27 H new ATOM 0 HA GLN A 76 13.380 5.883 0.170 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.430 4.475 -0.282 1.00 8.60 H new ATOM 0 HB3 GLN A 76 12.708 3.592 0.530 1.00 8.60 H new ATOM 0 HG2 GLN A 76 11.449 3.969 2.709 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.128 4.612 1.755 1.00 9.19 H new ATOM 0 HE21 GLN A 76 11.994 1.755 2.587 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.875 0.569 1.906 1.00 10.66 H new ATOM 1190 N GLY A 77 11.922 7.846 0.184 1.00 8.13 N ATOM 1191 CA GLY A 77 11.045 8.993 0.129 1.00 8.58 C ATOM 1192 C GLY A 77 11.259 9.944 1.289 1.00 8.30 C ATOM 1193 O GLY A 77 10.323 10.239 2.034 1.00 8.85 O ATOM 0 H GLY A 77 12.705 7.873 -0.470 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.207 9.526 -0.808 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.009 8.654 0.128 1.00 8.58 H new ATOM 1197 N VAL A 78 12.486 10.418 1.458 1.00 7.65 N ATOM 1198 CA VAL A 78 12.771 11.437 2.461 1.00 7.69 C ATOM 1199 C VAL A 78 12.285 12.793 1.955 1.00 8.18 C ATOM 1200 O VAL A 78 13.068 13.610 1.470 1.00 8.24 O ATOM 1201 CB VAL A 78 14.277 11.517 2.800 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.518 12.476 3.958 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.831 10.138 3.125 1.00 7.23 C ATOM 0 H VAL A 78 13.296 10.116 0.917 1.00 7.65 H new ATOM 0 HA VAL A 78 12.245 11.162 3.375 1.00 7.69 H new ATOM 0 HB VAL A 78 14.801 11.898 1.924 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.584 12.517 4.180 1.00 7.56 H new ATOM 0 HG12 VAL A 78 14.165 13.471 3.686 1.00 7.56 H new ATOM 0 HG13 VAL A 78 13.977 12.127 4.838 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.892 10.218 3.360 1.00 7.23 H new ATOM 0 HG22 VAL A 78 14.299 9.725 3.982 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.699 9.481 2.265 1.00 7.23 H new