USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 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 49 GLN : amide:sc= -0.135 K(o=-1.8,f=-4.9) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -144:sc= -1.71! (180deg=-2.48!) USER MOD Single : A 12 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.1) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 0.794 (180deg=0.183) USER MOD Single : A 21 TYR OH : rot 42:sc= 0.371 USER MOD Single : A 26 TYR OH : rot 180:sc= 0.131 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -52:sc= 0.866 USER MOD Single : A 33 GLN : amide:sc= -0.0312 K(o=-0.031,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 2.05 (180deg=0.369) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 43 THR OG1 : rot -93:sc= 1.25 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.1!) USER MOD Single : A 52 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.8!) USER MOD Single : A 55 CYS SG : rot 167:sc= -4.48! USER MOD Single : A 57 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD Single : A 71 MET CE :methyl 166:sc= -0.0401 (180deg=-0.341) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.159 (180deg=-0.649) USER MOD Single : A 73 THR OG1 : rot 78:sc= 1.11 USER MOD Single : A 75 CYS SG : rot 108:sc= -2.27! USER MOD Single : A 76 GLN : amide:sc= -0.703 K(o=-0.7,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 29.534 2.585 -9.913 1.00 10.57 N ATOM 130 CA ASP A 9 29.232 3.953 -9.514 1.00 10.51 C ATOM 131 C ASP A 9 27.861 4.033 -8.836 1.00 9.48 C ATOM 132 O ASP A 9 27.172 5.047 -8.927 1.00 9.50 O ATOM 133 CB ASP A 9 29.287 4.866 -10.745 1.00 11.48 C ATOM 134 CG ASP A 9 29.326 6.343 -10.401 1.00 12.16 C ATOM 135 OD1 ASP A 9 28.293 7.025 -10.567 1.00 12.46 O ATOM 136 OD2 ASP A 9 30.396 6.834 -9.983 1.00 12.54 O ATOM 0 HA ASP A 9 29.976 4.286 -8.790 1.00 10.51 H new ATOM 0 HB2 ASP A 9 30.169 4.615 -11.335 1.00 11.48 H new ATOM 0 HB3 ASP A 9 28.417 4.670 -11.372 1.00 11.48 H new ATOM 141 N ILE A 10 27.448 2.936 -8.199 1.00 8.74 N ATOM 142 CA ILE A 10 26.142 2.858 -7.521 1.00 7.86 C ATOM 143 C ILE A 10 26.027 3.782 -6.297 1.00 7.43 C ATOM 144 O ILE A 10 25.458 3.401 -5.273 1.00 6.73 O ATOM 145 CB ILE A 10 25.770 1.411 -7.072 1.00 7.25 C ATOM 146 CG1 ILE A 10 26.700 0.866 -5.963 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.739 0.466 -8.260 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.148 0.660 -6.359 1.00 7.84 C ATOM 0 H ILE A 10 28.000 2.081 -8.135 1.00 8.74 H new ATOM 0 HA ILE A 10 25.440 3.193 -8.285 1.00 7.86 H new ATOM 0 HB ILE A 10 24.770 1.469 -6.641 1.00 7.25 H new ATOM 0 HG12 ILE A 10 26.668 1.554 -5.118 1.00 7.42 H new ATOM 0 HG13 ILE A 10 26.299 -0.086 -5.614 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.477 -0.536 -7.921 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.997 0.811 -8.980 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.721 0.444 -8.733 1.00 7.55 H new ATOM 0 HD11 ILE A 10 28.707 0.276 -5.506 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.202 -0.055 -7.180 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.577 1.610 -6.676 1.00 7.84 H new ATOM 160 N ARG A 11 26.547 4.995 -6.400 1.00 8.07 N ATOM 161 CA ARG A 11 26.336 5.984 -5.360 1.00 7.96 C ATOM 162 C ARG A 11 24.929 6.520 -5.499 1.00 7.79 C ATOM 163 O ARG A 11 24.391 6.574 -6.610 1.00 8.29 O ATOM 164 CB ARG A 11 27.329 7.135 -5.460 1.00 9.08 C ATOM 165 CG ARG A 11 28.780 6.704 -5.479 1.00 9.98 C ATOM 166 CD ARG A 11 29.679 7.889 -5.211 1.00 10.66 C ATOM 167 NE ARG A 11 31.079 7.609 -5.525 1.00 11.50 N ATOM 168 CZ ARG A 11 32.059 8.502 -5.415 1.00 12.34 C ATOM 169 NH1 ARG A 11 31.791 9.742 -5.020 1.00 12.46 N ATOM 170 NH2 ARG A 11 33.310 8.155 -5.702 1.00 13.19 N ATOM 0 H ARG A 11 27.113 5.314 -7.186 1.00 8.07 H new ATOM 0 HA ARG A 11 26.484 5.509 -4.390 1.00 7.96 H new ATOM 0 HB2 ARG A 11 27.119 7.703 -6.366 1.00 9.08 H new ATOM 0 HB3 ARG A 11 27.173 7.809 -4.617 1.00 9.08 H new ATOM 0 HG2 ARG A 11 28.948 5.933 -4.727 1.00 9.98 H new ATOM 0 HG3 ARG A 11 29.024 6.264 -6.446 1.00 9.98 H new ATOM 0 HD2 ARG A 11 29.340 8.740 -5.802 1.00 10.66 H new ATOM 0 HD3 ARG A 11 29.595 8.176 -4.163 1.00 10.66 H new ATOM 0 HE ARG A 11 31.319 6.672 -5.848 1.00 11.50 H new ATOM 0 HH11 ARG A 11 30.832 10.011 -4.800 1.00 12.46 H new ATOM 0 HH12 ARG A 11 32.544 10.425 -4.936 1.00 12.46 H new ATOM 0 HH21 ARG A 11 33.518 7.204 -6.007 1.00 13.19 H new ATOM 0 HH22 ARG A 11 34.061 8.840 -5.618 1.00 13.19 H new ATOM 184 N GLN A 12 24.329 6.932 -4.406 1.00 7.29 N ATOM 185 CA GLN A 12 22.921 7.283 -4.463 1.00 7.16 C ATOM 186 C GLN A 12 22.622 8.656 -3.903 1.00 7.82 C ATOM 187 O GLN A 12 23.373 9.205 -3.094 1.00 8.10 O ATOM 188 CB GLN A 12 22.066 6.242 -3.757 1.00 6.33 C ATOM 189 CG GLN A 12 20.867 5.843 -4.591 1.00 6.44 C ATOM 190 CD GLN A 12 21.265 5.037 -5.818 1.00 6.33 C ATOM 191 OE1 GLN A 12 22.221 4.267 -5.792 1.00 6.37 O ATOM 192 NE2 GLN A 12 20.562 5.235 -6.917 1.00 6.60 N ATOM 0 H GLN A 12 24.772 7.032 -3.493 1.00 7.29 H new ATOM 0 HA GLN A 12 22.667 7.305 -5.523 1.00 7.16 H new ATOM 0 HB2 GLN A 12 22.670 5.360 -3.542 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.728 6.638 -2.799 1.00 6.33 H new ATOM 0 HG2 GLN A 12 20.180 5.257 -3.980 1.00 6.44 H new ATOM 0 HG3 GLN A 12 20.330 6.738 -4.905 1.00 6.44 H new ATOM 0 HE21 GLN A 12 19.773 5.881 -6.908 1.00 6.60 H new ATOM 0 HE22 GLN A 12 20.808 4.742 -7.775 1.00 6.60 H new ATOM 201 N GLY A 13 21.496 9.194 -4.354 1.00 8.30 N ATOM 202 CA GLY A 13 21.041 10.486 -3.910 1.00 9.01 C ATOM 203 C GLY A 13 19.811 10.363 -3.038 1.00 8.63 C ATOM 204 O GLY A 13 19.388 9.252 -2.723 1.00 7.84 O ATOM 0 H GLY A 13 20.883 8.743 -5.033 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.836 10.983 -3.354 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.817 11.112 -4.774 1.00 9.01 H new ATOM 208 N PRO A 14 19.184 11.483 -2.671 1.00 9.33 N ATOM 209 CA PRO A 14 18.070 11.494 -1.730 1.00 9.17 C ATOM 210 C PRO A 14 16.720 11.269 -2.404 1.00 8.90 C ATOM 211 O PRO A 14 15.680 11.652 -1.869 1.00 8.50 O ATOM 212 CB PRO A 14 18.153 12.901 -1.149 1.00 10.25 C ATOM 213 CG PRO A 14 18.677 13.744 -2.266 1.00 10.91 C ATOM 214 CD PRO A 14 19.497 12.837 -3.156 1.00 10.46 C ATOM 0 HA PRO A 14 18.139 10.693 -0.994 1.00 9.17 H new ATOM 0 HB2 PRO A 14 17.176 13.250 -0.815 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.816 12.934 -0.284 1.00 10.25 H new ATOM 0 HG2 PRO A 14 17.858 14.196 -2.825 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.287 14.560 -1.880 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.227 12.957 -4.205 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.562 13.054 -3.074 1.00 10.46 H new ATOM 222 N LYS A 15 16.737 10.656 -3.577 1.00 9.36 N ATOM 223 CA LYS A 15 15.505 10.424 -4.315 1.00 9.53 C ATOM 224 C LYS A 15 15.264 8.936 -4.548 1.00 9.20 C ATOM 225 O LYS A 15 14.308 8.558 -5.224 1.00 9.66 O ATOM 226 CB LYS A 15 15.500 11.188 -5.652 1.00 10.67 C ATOM 227 CG LYS A 15 16.402 10.620 -6.749 1.00 11.41 C ATOM 228 CD LYS A 15 17.882 10.819 -6.460 1.00 12.05 C ATOM 229 CE LYS A 15 18.719 10.658 -7.722 1.00 12.96 C ATOM 230 NZ LYS A 15 18.474 9.361 -8.405 1.00 13.55 N ATOM 0 H LYS A 15 17.581 10.313 -4.035 1.00 9.36 H new ATOM 0 HA LYS A 15 14.688 10.805 -3.703 1.00 9.53 H new ATOM 0 HB2 LYS A 15 14.477 11.217 -6.028 1.00 10.67 H new ATOM 0 HB3 LYS A 15 15.798 12.219 -5.460 1.00 10.67 H new ATOM 0 HG2 LYS A 15 16.199 9.555 -6.864 1.00 11.41 H new ATOM 0 HG3 LYS A 15 16.155 11.096 -7.698 1.00 11.41 H new ATOM 0 HD2 LYS A 15 18.042 11.812 -6.039 1.00 12.05 H new ATOM 0 HD3 LYS A 15 18.208 10.098 -5.710 1.00 12.05 H new ATOM 0 HE2 LYS A 15 18.496 11.475 -8.409 1.00 12.96 H new ATOM 0 HE3 LYS A 15 19.776 10.736 -7.466 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 18.859 9.399 -9.370 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 18.940 8.597 -7.876 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 17.451 9.179 -8.448 1.00 13.55 H new ATOM 244 N GLU A 16 16.118 8.090 -3.989 1.00 8.57 N ATOM 245 CA GLU A 16 15.968 6.655 -4.165 1.00 8.39 C ATOM 246 C GLU A 16 15.237 6.009 -3.004 1.00 7.72 C ATOM 247 O GLU A 16 15.561 6.249 -1.842 1.00 6.94 O ATOM 248 CB GLU A 16 17.322 5.981 -4.328 1.00 8.10 C ATOM 249 CG GLU A 16 17.631 5.597 -5.758 1.00 8.26 C ATOM 250 CD GLU A 16 17.796 6.802 -6.661 1.00 9.36 C ATOM 251 OE1 GLU A 16 18.906 7.372 -6.697 1.00 9.85 O ATOM 252 OE2 GLU A 16 16.827 7.183 -7.348 1.00 9.91 O ATOM 0 H GLU A 16 16.914 8.370 -3.416 1.00 8.57 H new ATOM 0 HA GLU A 16 15.375 6.518 -5.069 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.100 6.651 -3.963 1.00 8.10 H new ATOM 0 HB3 GLU A 16 17.353 5.088 -3.704 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.544 5.002 -5.782 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.829 4.966 -6.142 1.00 8.26 H new ATOM 259 N PRO A 17 14.216 5.203 -3.312 1.00 8.28 N ATOM 260 CA PRO A 17 13.632 4.282 -2.348 1.00 8.07 C ATOM 261 C PRO A 17 14.598 3.135 -2.066 1.00 7.31 C ATOM 262 O PRO A 17 15.339 2.721 -2.961 1.00 7.39 O ATOM 263 CB PRO A 17 12.362 3.763 -3.041 1.00 9.21 C ATOM 264 CG PRO A 17 12.168 4.636 -4.239 1.00 9.95 C ATOM 265 CD PRO A 17 13.528 5.147 -4.610 1.00 9.45 C ATOM 0 HA PRO A 17 13.417 4.754 -1.389 1.00 8.07 H new ATOM 0 HB2 PRO A 17 12.474 2.719 -3.332 1.00 9.21 H new ATOM 0 HB3 PRO A 17 11.502 3.818 -2.374 1.00 9.21 H new ATOM 0 HG2 PRO A 17 11.725 4.075 -5.062 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.491 5.460 -4.014 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.034 4.481 -5.309 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.477 6.127 -5.084 1.00 9.45 H new ATOM 273 N PHE A 18 14.596 2.641 -0.834 1.00 6.75 N ATOM 274 CA PHE A 18 15.551 1.619 -0.394 1.00 6.11 C ATOM 275 C PHE A 18 15.702 0.486 -1.411 1.00 6.56 C ATOM 276 O PHE A 18 16.799 0.246 -1.921 1.00 6.14 O ATOM 277 CB PHE A 18 15.122 1.039 0.955 1.00 6.14 C ATOM 278 CG PHE A 18 16.094 0.035 1.514 1.00 5.98 C ATOM 279 CD1 PHE A 18 15.853 -1.326 1.396 1.00 6.36 C ATOM 280 CD2 PHE A 18 17.248 0.454 2.155 1.00 5.83 C ATOM 281 CE1 PHE A 18 16.744 -2.249 1.912 1.00 6.55 C ATOM 282 CE2 PHE A 18 18.141 -0.465 2.671 1.00 6.04 C ATOM 283 CZ PHE A 18 17.889 -1.817 2.549 1.00 6.38 C ATOM 0 H PHE A 18 13.938 2.933 -0.111 1.00 6.75 H new ATOM 0 HA PHE A 18 16.519 2.110 -0.298 1.00 6.11 H new ATOM 0 HB2 PHE A 18 15.002 1.853 1.670 1.00 6.14 H new ATOM 0 HB3 PHE A 18 14.146 0.566 0.844 1.00 6.14 H new ATOM 0 HD1 PHE A 18 14.959 -1.669 0.895 1.00 6.36 H new ATOM 0 HD2 PHE A 18 17.452 1.510 2.252 1.00 5.83 H new ATOM 0 HE1 PHE A 18 16.544 -3.306 1.817 1.00 6.55 H new ATOM 0 HE2 PHE A 18 19.037 -0.126 3.170 1.00 6.04 H new ATOM 0 HZ PHE A 18 18.587 -2.536 2.952 1.00 6.38 H new ATOM 293 N ARG A 19 14.599 -0.190 -1.714 1.00 7.57 N ATOM 294 CA ARG A 19 14.618 -1.344 -2.618 1.00 8.30 C ATOM 295 C ARG A 19 15.161 -1.001 -4.011 1.00 8.53 C ATOM 296 O ARG A 19 15.596 -1.888 -4.745 1.00 8.98 O ATOM 297 CB ARG A 19 13.222 -1.987 -2.717 1.00 9.53 C ATOM 298 CG ARG A 19 12.063 -1.017 -2.926 1.00 10.28 C ATOM 299 CD ARG A 19 12.006 -0.457 -4.339 1.00 11.35 C ATOM 300 NE ARG A 19 10.918 0.504 -4.488 1.00 12.03 N ATOM 301 CZ ARG A 19 10.654 1.179 -5.604 1.00 13.02 C ATOM 302 NH1 ARG A 19 11.393 1.002 -6.689 1.00 13.43 N ATOM 303 NH2 ARG A 19 9.640 2.031 -5.633 1.00 13.72 N ATOM 0 H ARG A 19 13.675 0.039 -1.347 1.00 7.57 H new ATOM 0 HA ARG A 19 15.308 -2.068 -2.184 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.228 -2.701 -3.541 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.037 -2.554 -1.805 1.00 9.53 H new ATOM 0 HG2 ARG A 19 11.125 -1.527 -2.705 1.00 10.28 H new ATOM 0 HG3 ARG A 19 12.153 -0.193 -2.218 1.00 10.28 H new ATOM 0 HD2 ARG A 19 12.954 0.024 -4.580 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.873 -1.272 -5.050 1.00 11.35 H new ATOM 0 HE ARG A 19 10.318 0.670 -3.680 1.00 12.03 H new ATOM 0 HH11 ARG A 19 12.172 0.344 -6.674 1.00 13.43 H new ATOM 0 HH12 ARG A 19 11.183 1.524 -7.540 1.00 13.43 H new ATOM 0 HH21 ARG A 19 9.065 2.168 -4.802 1.00 13.72 H new ATOM 0 HH22 ARG A 19 9.434 2.550 -6.487 1.00 13.72 H new ATOM 317 N ASP A 20 15.159 0.279 -4.359 1.00 8.44 N ATOM 318 CA ASP A 20 15.632 0.721 -5.665 1.00 9.01 C ATOM 319 C ASP A 20 17.133 0.974 -5.610 1.00 8.27 C ATOM 320 O ASP A 20 17.876 0.609 -6.518 1.00 8.68 O ATOM 321 CB ASP A 20 14.893 1.991 -6.084 1.00 9.59 C ATOM 322 CG ASP A 20 15.183 2.400 -7.513 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.862 1.625 -8.436 1.00 11.24 O ATOM 324 OD2 ASP A 20 15.708 3.512 -7.725 1.00 10.78 O ATOM 0 H ASP A 20 14.834 1.032 -3.753 1.00 8.44 H new ATOM 0 HA ASP A 20 15.433 -0.057 -6.402 1.00 9.01 H new ATOM 0 HB2 ASP A 20 13.820 1.836 -5.967 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.173 2.805 -5.415 1.00 9.59 H new ATOM 329 N TYR A 21 17.567 1.601 -4.524 1.00 7.30 N ATOM 330 CA TYR A 21 18.987 1.801 -4.246 1.00 6.73 C ATOM 331 C TYR A 21 19.690 0.447 -4.193 1.00 6.19 C ATOM 332 O TYR A 21 20.732 0.237 -4.816 1.00 6.24 O ATOM 333 CB TYR A 21 19.130 2.546 -2.906 1.00 6.06 C ATOM 334 CG TYR A 21 20.552 2.850 -2.454 1.00 5.92 C ATOM 335 CD1 TYR A 21 20.781 3.374 -1.189 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.653 2.624 -3.274 1.00 6.13 C ATOM 337 CE1 TYR A 21 22.059 3.665 -0.756 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.934 2.910 -2.846 1.00 6.47 C ATOM 339 CZ TYR A 21 23.132 3.433 -1.587 1.00 6.60 C ATOM 340 OH TYR A 21 24.404 3.722 -1.157 1.00 7.29 O ATOM 0 H TYR A 21 16.947 1.985 -3.811 1.00 7.30 H new ATOM 0 HA TYR A 21 19.449 2.396 -5.034 1.00 6.73 H new ATOM 0 HB2 TYR A 21 18.585 3.487 -2.977 1.00 6.06 H new ATOM 0 HB3 TYR A 21 18.643 1.954 -2.131 1.00 6.06 H new ATOM 0 HD1 TYR A 21 19.944 3.557 -0.532 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.503 2.217 -4.263 1.00 6.13 H new ATOM 0 HE1 TYR A 21 22.217 4.073 0.231 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.777 2.725 -3.495 1.00 6.47 H new ATOM 0 HH TYR A 21 24.507 3.437 -0.225 1.00 7.29 H new ATOM 350 N VAL A 22 19.075 -0.477 -3.479 1.00 5.96 N ATOM 351 CA VAL A 22 19.643 -1.808 -3.288 1.00 5.81 C ATOM 352 C VAL A 22 19.684 -2.586 -4.602 1.00 6.77 C ATOM 353 O VAL A 22 20.569 -3.408 -4.818 1.00 6.77 O ATOM 354 CB VAL A 22 18.857 -2.609 -2.226 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.413 -4.020 -2.073 1.00 6.61 C ATOM 356 CG2 VAL A 22 18.891 -1.885 -0.893 1.00 5.41 C ATOM 0 H VAL A 22 18.177 -0.334 -3.017 1.00 5.96 H new ATOM 0 HA VAL A 22 20.664 -1.672 -2.932 1.00 5.81 H new ATOM 0 HB VAL A 22 17.823 -2.690 -2.562 1.00 5.93 H new ATOM 0 HG11 VAL A 22 18.839 -4.558 -1.319 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.341 -4.545 -3.026 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.457 -3.968 -1.765 1.00 6.61 H new ATOM 0 HG21 VAL A 22 18.334 -2.459 -0.153 1.00 5.41 H new ATOM 0 HG22 VAL A 22 19.925 -1.776 -0.565 1.00 5.41 H new ATOM 0 HG23 VAL A 22 18.439 -0.899 -1.003 1.00 5.41 H new ATOM 366 N ASP A 23 18.740 -2.292 -5.489 1.00 7.71 N ATOM 367 CA ASP A 23 18.641 -2.972 -6.780 1.00 8.82 C ATOM 368 C ASP A 23 19.955 -2.908 -7.560 1.00 8.87 C ATOM 369 O ASP A 23 20.435 -3.922 -8.069 1.00 9.30 O ATOM 370 CB ASP A 23 17.512 -2.361 -7.611 1.00 9.88 C ATOM 371 CG ASP A 23 17.427 -2.942 -9.010 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.679 -2.193 -9.980 1.00 11.57 O ATOM 373 OD2 ASP A 23 17.098 -4.138 -9.148 1.00 11.68 O ATOM 0 H ASP A 23 18.025 -1.581 -5.337 1.00 7.71 H new ATOM 0 HA ASP A 23 18.423 -4.021 -6.582 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.563 -2.521 -7.099 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.660 -1.283 -7.679 1.00 9.88 H new ATOM 378 N ARG A 24 20.551 -1.724 -7.630 1.00 8.57 N ATOM 379 CA ARG A 24 21.788 -1.551 -8.381 1.00 8.91 C ATOM 380 C ARG A 24 22.989 -1.916 -7.517 1.00 8.10 C ATOM 381 O ARG A 24 23.996 -2.414 -8.018 1.00 8.53 O ATOM 382 CB ARG A 24 21.939 -0.119 -8.916 1.00 9.20 C ATOM 383 CG ARG A 24 22.087 0.946 -7.837 1.00 9.35 C ATOM 384 CD ARG A 24 20.794 1.706 -7.610 1.00 9.42 C ATOM 385 NE ARG A 24 20.394 2.466 -8.792 1.00 10.13 N ATOM 386 CZ ARG A 24 19.210 3.052 -8.932 1.00 10.62 C ATOM 387 NH1 ARG A 24 18.291 2.915 -7.990 1.00 10.53 N ATOM 388 NH2 ARG A 24 18.943 3.755 -10.020 1.00 11.36 N ATOM 0 H ARG A 24 20.202 -0.877 -7.181 1.00 8.57 H new ATOM 0 HA ARG A 24 21.744 -2.222 -9.239 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.810 -0.079 -9.570 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.069 0.120 -9.528 1.00 9.20 H new ATOM 0 HG2 ARG A 24 22.401 0.477 -6.905 1.00 9.35 H new ATOM 0 HG3 ARG A 24 22.873 1.645 -8.122 1.00 9.35 H new ATOM 0 HD2 ARG A 24 20.003 1.005 -7.344 1.00 9.42 H new ATOM 0 HD3 ARG A 24 20.915 2.385 -6.766 1.00 9.42 H new ATOM 0 HE ARG A 24 21.064 2.552 -9.556 1.00 10.13 H new ATOM 0 HH11 ARG A 24 18.492 2.360 -7.158 1.00 10.53 H new ATOM 0 HH12 ARG A 24 17.381 3.364 -8.096 1.00 10.53 H new ATOM 0 HH21 ARG A 24 19.647 3.848 -10.753 1.00 11.36 H new ATOM 0 HH22 ARG A 24 18.034 4.204 -10.126 1.00 11.36 H new ATOM 402 N PHE A 25 22.874 -1.681 -6.214 1.00 7.02 N ATOM 403 CA PHE A 25 23.949 -1.980 -5.288 1.00 6.32 C ATOM 404 C PHE A 25 24.171 -3.483 -5.181 1.00 6.59 C ATOM 405 O PHE A 25 25.290 -3.939 -4.963 1.00 6.62 O ATOM 406 CB PHE A 25 23.629 -1.396 -3.915 1.00 5.33 C ATOM 407 CG PHE A 25 24.697 -1.650 -2.895 1.00 4.98 C ATOM 408 CD1 PHE A 25 25.857 -0.896 -2.891 1.00 4.85 C ATOM 409 CD2 PHE A 25 24.543 -2.645 -1.942 1.00 5.26 C ATOM 410 CE1 PHE A 25 26.843 -1.128 -1.957 1.00 4.99 C ATOM 411 CE2 PHE A 25 25.528 -2.882 -1.004 1.00 5.43 C ATOM 412 CZ PHE A 25 26.681 -2.121 -1.011 1.00 5.29 C ATOM 0 H PHE A 25 22.042 -1.283 -5.779 1.00 7.02 H new ATOM 0 HA PHE A 25 24.866 -1.527 -5.665 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.478 -0.321 -4.012 1.00 5.33 H new ATOM 0 HB3 PHE A 25 22.689 -1.819 -3.559 1.00 5.33 H new ATOM 0 HD1 PHE A 25 25.991 -0.118 -3.628 1.00 4.85 H new ATOM 0 HD2 PHE A 25 23.643 -3.241 -1.933 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.744 -0.532 -1.965 1.00 4.99 H new ATOM 0 HE2 PHE A 25 25.397 -3.660 -0.267 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.454 -2.302 -0.279 1.00 5.29 H new ATOM 422 N TYR A 26 23.111 -4.249 -5.369 1.00 7.06 N ATOM 423 CA TYR A 26 23.184 -5.694 -5.215 1.00 7.60 C ATOM 424 C TYR A 26 23.894 -6.295 -6.413 1.00 8.54 C ATOM 425 O TYR A 26 24.488 -7.371 -6.335 1.00 8.87 O ATOM 426 CB TYR A 26 21.788 -6.305 -5.061 1.00 8.10 C ATOM 427 CG TYR A 26 21.816 -7.791 -4.779 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.361 -8.708 -5.719 1.00 9.57 C ATOM 429 CD2 TYR A 26 22.316 -8.277 -3.578 1.00 9.04 C ATOM 430 CE1 TYR A 26 21.403 -10.065 -5.466 1.00 10.37 C ATOM 431 CE2 TYR A 26 22.359 -9.633 -3.318 1.00 9.88 C ATOM 432 CZ TYR A 26 21.902 -10.522 -4.265 1.00 10.50 C ATOM 433 OH TYR A 26 21.951 -11.875 -4.014 1.00 11.44 O ATOM 0 H TYR A 26 22.190 -3.897 -5.628 1.00 7.06 H new ATOM 0 HA TYR A 26 23.746 -5.920 -4.309 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.264 -5.798 -4.251 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.217 -6.125 -5.972 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.969 -8.354 -6.661 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.678 -7.583 -2.834 1.00 9.04 H new ATOM 0 HE1 TYR A 26 21.046 -10.766 -6.206 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.749 -9.994 -2.378 1.00 9.88 H new ATOM 0 HH TYR A 26 22.330 -12.029 -3.124 1.00 11.44 H new ATOM 443 N LYS A 27 23.846 -5.566 -7.516 1.00 9.08 N ATOM 444 CA LYS A 27 24.513 -5.977 -8.738 1.00 10.12 C ATOM 445 C LYS A 27 26.023 -6.047 -8.534 1.00 10.01 C ATOM 446 O LYS A 27 26.708 -6.848 -9.168 1.00 10.69 O ATOM 447 CB LYS A 27 24.165 -5.005 -9.862 1.00 10.87 C ATOM 448 CG LYS A 27 22.713 -5.092 -10.301 1.00 11.19 C ATOM 449 CD LYS A 27 22.420 -4.192 -11.492 1.00 12.15 C ATOM 450 CE LYS A 27 23.143 -4.661 -12.746 1.00 12.87 C ATOM 451 NZ LYS A 27 22.712 -3.902 -13.949 1.00 13.47 N ATOM 0 H LYS A 27 23.347 -4.679 -7.589 1.00 9.08 H new ATOM 0 HA LYS A 27 24.168 -6.974 -9.011 1.00 10.12 H new ATOM 0 HB2 LYS A 27 24.378 -3.988 -9.533 1.00 10.87 H new ATOM 0 HB3 LYS A 27 24.809 -5.204 -10.718 1.00 10.87 H new ATOM 0 HG2 LYS A 27 22.474 -6.124 -10.559 1.00 11.19 H new ATOM 0 HG3 LYS A 27 22.066 -4.814 -9.469 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.346 -4.173 -11.677 1.00 12.15 H new ATOM 0 HD3 LYS A 27 22.722 -3.171 -11.259 1.00 12.15 H new ATOM 0 HE2 LYS A 27 24.218 -4.546 -12.610 1.00 12.87 H new ATOM 0 HE3 LYS A 27 22.953 -5.723 -12.899 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 23.227 -4.251 -14.782 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 21.690 -4.032 -14.094 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 22.917 -2.891 -13.814 1.00 13.47 H new ATOM 465 N THR A 28 26.534 -5.225 -7.624 1.00 9.28 N ATOM 466 CA THR A 28 27.958 -5.216 -7.322 1.00 9.35 C ATOM 467 C THR A 28 28.346 -6.494 -6.588 1.00 8.90 C ATOM 468 O THR A 28 29.425 -7.045 -6.799 1.00 9.29 O ATOM 469 CB THR A 28 28.348 -3.993 -6.465 1.00 9.07 C ATOM 470 OG1 THR A 28 27.878 -4.150 -5.121 1.00 9.27 O ATOM 471 CG2 THR A 28 27.759 -2.723 -7.047 1.00 8.30 C ATOM 0 H THR A 28 25.983 -4.558 -7.084 1.00 9.28 H new ATOM 0 HA THR A 28 28.495 -5.156 -8.268 1.00 9.35 H new ATOM 0 HB THR A 28 29.436 -3.921 -6.464 1.00 9.07 H new ATOM 0 HG1 THR A 28 26.922 -4.366 -5.132 1.00 9.27 H new ATOM 0 HG21 THR A 28 28.045 -1.872 -6.428 1.00 8.30 H new ATOM 0 HG22 THR A 28 28.135 -2.578 -8.060 1.00 8.30 H new ATOM 0 HG23 THR A 28 26.672 -2.804 -7.072 1.00 8.30 H new ATOM 479 N LEU A 29 27.430 -6.982 -5.754 1.00 8.24 N ATOM 480 CA LEU A 29 27.665 -8.185 -4.966 1.00 8.03 C ATOM 481 C LEU A 29 27.777 -9.407 -5.866 1.00 8.87 C ATOM 482 O LEU A 29 28.439 -10.384 -5.523 1.00 9.09 O ATOM 483 CB LEU A 29 26.543 -8.399 -3.943 1.00 7.48 C ATOM 484 CG LEU A 29 26.675 -7.620 -2.630 1.00 7.10 C ATOM 485 CD1 LEU A 29 26.592 -6.121 -2.862 1.00 6.93 C ATOM 486 CD2 LEU A 29 25.602 -8.063 -1.650 1.00 6.99 C ATOM 0 H LEU A 29 26.514 -6.558 -5.608 1.00 8.24 H new ATOM 0 HA LEU A 29 28.606 -8.051 -4.432 1.00 8.03 H new ATOM 0 HB2 LEU A 29 25.596 -8.128 -4.410 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.490 -9.462 -3.708 1.00 7.48 H new ATOM 0 HG LEU A 29 27.656 -7.836 -2.208 1.00 7.10 H new ATOM 0 HD11 LEU A 29 26.689 -5.600 -1.910 1.00 6.93 H new ATOM 0 HD12 LEU A 29 27.396 -5.811 -3.529 1.00 6.93 H new ATOM 0 HD13 LEU A 29 25.631 -5.875 -3.314 1.00 6.93 H new ATOM 0 HD21 LEU A 29 25.705 -7.503 -0.720 1.00 6.99 H new ATOM 0 HD22 LEU A 29 24.618 -7.876 -2.079 1.00 6.99 H new ATOM 0 HD23 LEU A 29 25.713 -9.128 -1.446 1.00 6.99 H new ATOM 498 N ARG A 30 27.134 -9.339 -7.022 1.00 9.50 N ATOM 499 CA ARG A 30 27.163 -10.439 -7.976 1.00 10.45 C ATOM 500 C ARG A 30 28.462 -10.413 -8.774 1.00 10.98 C ATOM 501 O ARG A 30 28.946 -11.449 -9.238 1.00 11.61 O ATOM 502 CB ARG A 30 25.969 -10.353 -8.933 1.00 11.14 C ATOM 503 CG ARG A 30 24.625 -10.163 -8.241 1.00 11.16 C ATOM 504 CD ARG A 30 24.365 -11.232 -7.189 1.00 11.94 C ATOM 505 NE ARG A 30 24.407 -12.584 -7.743 1.00 12.66 N ATOM 506 CZ ARG A 30 24.034 -13.674 -7.073 1.00 13.44 C ATOM 507 NH1 ARG A 30 23.555 -13.572 -5.839 1.00 13.60 N ATOM 508 NH2 ARG A 30 24.134 -14.866 -7.641 1.00 14.19 N ATOM 0 H ARG A 30 26.585 -8.534 -7.323 1.00 9.50 H new ATOM 0 HA ARG A 30 27.103 -11.374 -7.420 1.00 10.45 H new ATOM 0 HB2 ARG A 30 26.130 -9.525 -9.623 1.00 11.14 H new ATOM 0 HB3 ARG A 30 25.931 -11.263 -9.531 1.00 11.14 H new ATOM 0 HG2 ARG A 30 24.595 -9.179 -7.772 1.00 11.16 H new ATOM 0 HG3 ARG A 30 23.829 -10.186 -8.985 1.00 11.16 H new ATOM 0 HD2 ARG A 30 25.107 -11.145 -6.396 1.00 11.94 H new ATOM 0 HD3 ARG A 30 23.390 -11.060 -6.734 1.00 11.94 H new ATOM 0 HE ARG A 30 24.742 -12.700 -8.699 1.00 12.66 H new ATOM 0 HH11 ARG A 30 23.471 -12.656 -5.399 1.00 13.60 H new ATOM 0 HH12 ARG A 30 23.271 -14.410 -5.331 1.00 13.60 H new ATOM 0 HH21 ARG A 30 24.496 -14.950 -8.591 1.00 14.19 H new ATOM 0 HH22 ARG A 30 23.849 -15.701 -7.129 1.00 14.19 H new ATOM 522 N ALA A 31 29.022 -9.220 -8.924 1.00 10.87 N ATOM 523 CA ALA A 31 30.234 -9.031 -9.710 1.00 11.56 C ATOM 524 C ALA A 31 31.493 -9.290 -8.886 1.00 11.34 C ATOM 525 O ALA A 31 32.545 -9.617 -9.438 1.00 11.93 O ATOM 526 CB ALA A 31 30.266 -7.626 -10.292 1.00 11.84 C ATOM 0 H ALA A 31 28.654 -8.364 -8.509 1.00 10.87 H new ATOM 0 HA ALA A 31 30.218 -9.758 -10.522 1.00 11.56 H new ATOM 0 HB1 ALA A 31 31.176 -7.495 -10.878 1.00 11.84 H new ATOM 0 HB2 ALA A 31 29.397 -7.478 -10.934 1.00 11.84 H new ATOM 0 HB3 ALA A 31 30.248 -6.896 -9.482 1.00 11.84 H new ATOM 532 N GLU A 32 31.382 -9.132 -7.573 1.00 10.61 N ATOM 533 CA GLU A 32 32.513 -9.338 -6.672 1.00 10.60 C ATOM 534 C GLU A 32 32.633 -10.810 -6.280 1.00 10.54 C ATOM 535 O GLU A 32 31.991 -11.676 -6.879 1.00 10.89 O ATOM 536 CB GLU A 32 32.341 -8.491 -5.408 1.00 10.22 C ATOM 537 CG GLU A 32 31.138 -8.911 -4.579 1.00 9.56 C ATOM 538 CD GLU A 32 31.011 -8.152 -3.274 1.00 9.48 C ATOM 539 OE1 GLU A 32 30.844 -6.914 -3.304 1.00 9.47 O ATOM 540 OE2 GLU A 32 31.052 -8.802 -2.206 1.00 9.62 O ATOM 0 H GLU A 32 30.517 -8.861 -7.105 1.00 10.61 H new ATOM 0 HA GLU A 32 33.421 -9.036 -7.194 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.242 -8.568 -4.799 1.00 10.22 H new ATOM 0 HB3 GLU A 32 32.235 -7.443 -5.689 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.232 -8.763 -5.166 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.208 -9.977 -4.365 1.00 9.56 H new ATOM 547 N GLN A 33 33.452 -11.082 -5.268 1.00 10.31 N ATOM 548 CA GLN A 33 33.585 -12.426 -4.724 1.00 10.45 C ATOM 549 C GLN A 33 32.251 -12.902 -4.152 1.00 10.39 C ATOM 550 O GLN A 33 31.431 -12.105 -3.699 1.00 10.09 O ATOM 551 CB GLN A 33 34.657 -12.454 -3.633 1.00 10.44 C ATOM 552 CG GLN A 33 36.052 -12.099 -4.126 1.00 10.76 C ATOM 553 CD GLN A 33 36.628 -13.136 -5.070 1.00 11.12 C ATOM 554 OE1 GLN A 33 36.317 -14.322 -4.979 1.00 11.23 O ATOM 555 NE2 GLN A 33 37.482 -12.696 -5.978 1.00 11.52 N ATOM 0 H GLN A 33 34.036 -10.384 -4.807 1.00 10.31 H new ATOM 0 HA GLN A 33 33.883 -13.096 -5.530 1.00 10.45 H new ATOM 0 HB2 GLN A 33 34.374 -11.759 -2.843 1.00 10.44 H new ATOM 0 HB3 GLN A 33 34.682 -13.449 -3.188 1.00 10.44 H new ATOM 0 HG2 GLN A 33 36.018 -11.134 -4.632 1.00 10.76 H new ATOM 0 HG3 GLN A 33 36.717 -11.987 -3.269 1.00 10.76 H new ATOM 0 HE21 GLN A 33 37.714 -11.704 -6.021 1.00 11.52 H new ATOM 0 HE22 GLN A 33 37.909 -13.349 -6.636 1.00 11.52 H new ATOM 564 N ALA A 34 32.048 -14.206 -4.186 1.00 10.90 N ATOM 565 CA ALA A 34 30.799 -14.821 -3.752 1.00 11.19 C ATOM 566 C ALA A 34 30.714 -14.928 -2.236 1.00 11.09 C ATOM 567 O ALA A 34 29.623 -15.079 -1.689 1.00 11.27 O ATOM 568 CB ALA A 34 30.643 -16.196 -4.381 1.00 11.97 C ATOM 0 H ALA A 34 32.745 -14.874 -4.516 1.00 10.90 H new ATOM 0 HA ALA A 34 29.985 -14.176 -4.084 1.00 11.19 H new ATOM 0 HB1 ALA A 34 29.707 -16.644 -4.049 1.00 11.97 H new ATOM 0 HB2 ALA A 34 30.634 -16.101 -5.467 1.00 11.97 H new ATOM 0 HB3 ALA A 34 31.476 -16.831 -4.079 1.00 11.97 H new ATOM 574 N SER A 35 31.867 -14.868 -1.577 1.00 11.05 N ATOM 575 CA SER A 35 31.955 -14.993 -0.124 1.00 11.21 C ATOM 576 C SER A 35 30.976 -14.053 0.589 1.00 10.64 C ATOM 577 O SER A 35 31.179 -12.839 0.632 1.00 10.19 O ATOM 578 CB SER A 35 33.387 -14.705 0.322 1.00 11.48 C ATOM 579 OG SER A 35 34.307 -15.516 -0.393 1.00 12.02 O ATOM 0 H SER A 35 32.768 -14.731 -2.035 1.00 11.05 H new ATOM 0 HA SER A 35 31.681 -16.012 0.149 1.00 11.21 H new ATOM 0 HB2 SER A 35 33.619 -13.653 0.159 1.00 11.48 H new ATOM 0 HB3 SER A 35 33.485 -14.891 1.391 1.00 11.48 H new ATOM 0 HG SER A 35 35.219 -15.316 -0.095 1.00 12.02 H new ATOM 585 N GLN A 36 29.920 -14.633 1.151 1.00 10.85 N ATOM 586 CA GLN A 36 28.866 -13.861 1.795 1.00 10.51 C ATOM 587 C GLN A 36 29.322 -13.310 3.140 1.00 10.66 C ATOM 588 O GLN A 36 28.842 -12.267 3.583 1.00 10.26 O ATOM 589 CB GLN A 36 27.608 -14.715 1.978 1.00 11.11 C ATOM 590 CG GLN A 36 26.961 -15.140 0.668 1.00 11.25 C ATOM 591 CD GLN A 36 25.682 -15.928 0.875 1.00 11.80 C ATOM 592 OE1 GLN A 36 25.700 -17.155 0.967 1.00 12.14 O ATOM 593 NE2 GLN A 36 24.562 -15.229 0.949 1.00 12.09 N ATOM 0 H GLN A 36 29.772 -15.642 1.173 1.00 10.85 H new ATOM 0 HA GLN A 36 28.632 -13.018 1.145 1.00 10.51 H new ATOM 0 HB2 GLN A 36 27.864 -15.605 2.552 1.00 11.11 H new ATOM 0 HB3 GLN A 36 26.882 -14.155 2.567 1.00 11.11 H new ATOM 0 HG2 GLN A 36 26.745 -14.254 0.070 1.00 11.25 H new ATOM 0 HG3 GLN A 36 27.667 -15.744 0.098 1.00 11.25 H new ATOM 0 HE21 GLN A 36 24.589 -14.213 0.868 1.00 12.09 H new ATOM 0 HE22 GLN A 36 23.671 -15.706 1.087 1.00 12.09 H new ATOM 602 N GLU A 37 30.258 -14.007 3.779 1.00 11.37 N ATOM 603 CA GLU A 37 30.778 -13.585 5.078 1.00 11.85 C ATOM 604 C GLU A 37 31.404 -12.196 4.996 1.00 11.40 C ATOM 605 O GLU A 37 31.346 -11.422 5.951 1.00 11.56 O ATOM 606 CB GLU A 37 31.807 -14.590 5.607 1.00 12.76 C ATOM 607 CG GLU A 37 32.972 -14.842 4.660 1.00 12.82 C ATOM 608 CD GLU A 37 34.093 -15.626 5.308 1.00 13.79 C ATOM 609 OE1 GLU A 37 33.854 -16.767 5.756 1.00 14.44 O ATOM 610 OE2 GLU A 37 35.226 -15.105 5.369 1.00 13.98 O ATOM 0 H GLU A 37 30.672 -14.867 3.419 1.00 11.37 H new ATOM 0 HA GLU A 37 29.937 -13.545 5.770 1.00 11.85 H new ATOM 0 HB2 GLU A 37 32.197 -14.228 6.558 1.00 12.76 H new ATOM 0 HB3 GLU A 37 31.305 -15.536 5.808 1.00 12.76 H new ATOM 0 HG2 GLU A 37 32.613 -15.385 3.785 1.00 12.82 H new ATOM 0 HG3 GLU A 37 33.360 -13.887 4.306 1.00 12.82 H new ATOM 617 N VAL A 38 31.989 -11.881 3.850 1.00 11.01 N ATOM 618 CA VAL A 38 32.631 -10.593 3.654 1.00 10.78 C ATOM 619 C VAL A 38 31.592 -9.526 3.331 1.00 9.91 C ATOM 620 O VAL A 38 31.693 -8.388 3.788 1.00 9.82 O ATOM 621 CB VAL A 38 33.675 -10.649 2.519 1.00 10.99 C ATOM 622 CG1 VAL A 38 34.373 -9.309 2.362 1.00 11.05 C ATOM 623 CG2 VAL A 38 34.688 -11.755 2.776 1.00 11.61 C ATOM 0 H VAL A 38 32.032 -12.502 3.042 1.00 11.01 H new ATOM 0 HA VAL A 38 33.142 -10.338 4.582 1.00 10.78 H new ATOM 0 HB VAL A 38 33.154 -10.872 1.588 1.00 10.99 H new ATOM 0 HG11 VAL A 38 35.105 -9.372 1.556 1.00 11.05 H new ATOM 0 HG12 VAL A 38 33.637 -8.541 2.125 1.00 11.05 H new ATOM 0 HG13 VAL A 38 34.879 -9.051 3.292 1.00 11.05 H new ATOM 0 HG21 VAL A 38 35.415 -11.778 1.964 1.00 11.61 H new ATOM 0 HG22 VAL A 38 35.202 -11.566 3.719 1.00 11.61 H new ATOM 0 HG23 VAL A 38 34.173 -12.714 2.829 1.00 11.61 H new ATOM 633 N LYS A 39 30.573 -9.919 2.577 1.00 9.40 N ATOM 634 CA LYS A 39 29.554 -8.987 2.105 1.00 8.62 C ATOM 635 C LYS A 39 28.874 -8.275 3.264 1.00 8.49 C ATOM 636 O LYS A 39 28.724 -7.058 3.246 1.00 8.00 O ATOM 637 CB LYS A 39 28.507 -9.720 1.270 1.00 8.48 C ATOM 638 CG LYS A 39 29.084 -10.412 0.052 1.00 8.87 C ATOM 639 CD LYS A 39 28.010 -11.134 -0.741 1.00 8.96 C ATOM 640 CE LYS A 39 28.607 -11.868 -1.927 1.00 9.53 C ATOM 641 NZ LYS A 39 29.211 -10.933 -2.909 1.00 9.78 N ATOM 0 H LYS A 39 30.429 -10.883 2.277 1.00 9.40 H new ATOM 0 HA LYS A 39 30.053 -8.240 1.487 1.00 8.62 H new ATOM 0 HB2 LYS A 39 28.007 -10.459 1.896 1.00 8.48 H new ATOM 0 HB3 LYS A 39 27.747 -9.008 0.948 1.00 8.48 H new ATOM 0 HG2 LYS A 39 29.576 -9.678 -0.586 1.00 8.87 H new ATOM 0 HG3 LYS A 39 29.847 -11.125 0.365 1.00 8.87 H new ATOM 0 HD2 LYS A 39 27.491 -11.842 -0.095 1.00 8.96 H new ATOM 0 HD3 LYS A 39 27.267 -10.417 -1.090 1.00 8.96 H new ATOM 0 HE2 LYS A 39 29.366 -12.567 -1.577 1.00 9.53 H new ATOM 0 HE3 LYS A 39 27.832 -12.458 -2.416 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 28.693 -10.992 -3.809 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 29.157 -9.961 -2.542 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 30.207 -11.189 -3.065 1.00 9.78 H new ATOM 655 N ASN A 40 28.486 -9.035 4.274 1.00 9.12 N ATOM 656 CA ASN A 40 27.749 -8.491 5.410 1.00 9.38 C ATOM 657 C ASN A 40 28.580 -7.470 6.180 1.00 9.55 C ATOM 658 O ASN A 40 28.051 -6.472 6.664 1.00 9.39 O ATOM 659 CB ASN A 40 27.295 -9.611 6.348 1.00 10.35 C ATOM 660 CG ASN A 40 26.163 -10.438 5.769 1.00 10.85 C ATOM 661 OD1 ASN A 40 26.389 -11.445 5.099 1.00 10.92 O ATOM 662 ND2 ASN A 40 24.934 -10.012 6.018 1.00 11.43 N ATOM 0 H ASN A 40 28.669 -10.037 4.333 1.00 9.12 H new ATOM 0 HA ASN A 40 26.870 -7.983 5.014 1.00 9.38 H new ATOM 0 HB2 ASN A 40 28.141 -10.263 6.565 1.00 10.35 H new ATOM 0 HB3 ASN A 40 26.975 -9.178 7.296 1.00 10.35 H new ATOM 0 HD21 ASN A 40 24.132 -10.524 5.650 1.00 11.43 H new ATOM 0 HD22 ASN A 40 24.789 -9.172 6.578 1.00 11.43 H new ATOM 669 N ALA A 41 29.878 -7.715 6.279 1.00 10.04 N ATOM 670 CA ALA A 41 30.769 -6.818 7.004 1.00 10.52 C ATOM 671 C ALA A 41 31.118 -5.599 6.160 1.00 9.85 C ATOM 672 O ALA A 41 31.384 -4.517 6.685 1.00 10.08 O ATOM 673 CB ALA A 41 32.032 -7.553 7.425 1.00 11.43 C ATOM 0 H ALA A 41 30.339 -8.527 5.867 1.00 10.04 H new ATOM 0 HA ALA A 41 30.251 -6.473 7.899 1.00 10.52 H new ATOM 0 HB1 ALA A 41 32.687 -6.870 7.965 1.00 11.43 H new ATOM 0 HB2 ALA A 41 31.768 -8.390 8.071 1.00 11.43 H new ATOM 0 HB3 ALA A 41 32.547 -7.927 6.540 1.00 11.43 H new ATOM 679 N ALA A 42 31.114 -5.782 4.850 1.00 9.19 N ATOM 680 CA ALA A 42 31.444 -4.709 3.928 1.00 8.71 C ATOM 681 C ALA A 42 30.242 -3.809 3.674 1.00 7.86 C ATOM 682 O ALA A 42 30.268 -2.618 3.984 1.00 7.82 O ATOM 683 CB ALA A 42 31.953 -5.292 2.619 1.00 8.58 C ATOM 0 H ALA A 42 30.885 -6.668 4.400 1.00 9.19 H new ATOM 0 HA ALA A 42 32.227 -4.099 4.379 1.00 8.71 H new ATOM 0 HB1 ALA A 42 32.199 -4.483 1.931 1.00 8.58 H new ATOM 0 HB2 ALA A 42 32.844 -5.890 2.809 1.00 8.58 H new ATOM 0 HB3 ALA A 42 31.181 -5.922 2.177 1.00 8.58 H new ATOM 689 N THR A 43 29.181 -4.398 3.142 1.00 7.35 N ATOM 690 CA THR A 43 28.006 -3.655 2.712 1.00 6.63 C ATOM 691 C THR A 43 27.385 -2.841 3.842 1.00 6.87 C ATOM 692 O THR A 43 26.832 -1.775 3.593 1.00 6.42 O ATOM 693 CB THR A 43 26.935 -4.591 2.118 1.00 6.60 C ATOM 694 OG1 THR A 43 26.557 -5.581 3.083 1.00 6.93 O ATOM 695 CG2 THR A 43 27.448 -5.275 0.861 1.00 6.92 C ATOM 0 H THR A 43 29.111 -5.405 2.996 1.00 7.35 H new ATOM 0 HA THR A 43 28.354 -2.965 1.943 1.00 6.63 H new ATOM 0 HB THR A 43 26.066 -3.988 1.856 1.00 6.60 H new ATOM 0 HG1 THR A 43 27.102 -6.386 2.956 1.00 6.93 H new ATOM 0 HG21 THR A 43 26.674 -5.930 0.461 1.00 6.92 H new ATOM 0 HG22 THR A 43 27.706 -4.522 0.117 1.00 6.92 H new ATOM 0 HG23 THR A 43 28.332 -5.864 1.103 1.00 6.92 H new ATOM 703 N GLU A 44 27.492 -3.323 5.080 1.00 7.76 N ATOM 704 CA GLU A 44 26.869 -2.639 6.210 1.00 8.32 C ATOM 705 C GLU A 44 27.333 -1.183 6.292 1.00 8.48 C ATOM 706 O GLU A 44 26.516 -0.271 6.407 1.00 8.35 O ATOM 707 CB GLU A 44 27.141 -3.376 7.533 1.00 9.53 C ATOM 708 CG GLU A 44 28.608 -3.465 7.926 1.00 10.03 C ATOM 709 CD GLU A 44 28.803 -3.968 9.341 1.00 11.07 C ATOM 710 OE1 GLU A 44 29.067 -3.135 10.236 1.00 11.69 O ATOM 711 OE2 GLU A 44 28.685 -5.192 9.572 1.00 11.42 O ATOM 0 H GLU A 44 27.998 -4.174 5.323 1.00 7.76 H new ATOM 0 HA GLU A 44 25.792 -2.644 6.044 1.00 8.32 H new ATOM 0 HB2 GLU A 44 26.596 -2.873 8.331 1.00 9.53 H new ATOM 0 HB3 GLU A 44 26.738 -4.386 7.459 1.00 9.53 H new ATOM 0 HG2 GLU A 44 29.126 -4.129 7.234 1.00 10.03 H new ATOM 0 HG3 GLU A 44 29.067 -2.481 7.828 1.00 10.03 H new ATOM 718 N THR A 45 28.639 -0.963 6.225 1.00 8.95 N ATOM 719 CA THR A 45 29.176 0.385 6.252 1.00 9.49 C ATOM 720 C THR A 45 29.230 0.977 4.843 1.00 8.79 C ATOM 721 O THR A 45 28.980 2.160 4.644 1.00 9.04 O ATOM 722 CB THR A 45 30.574 0.433 6.918 1.00 10.61 C ATOM 723 OG1 THR A 45 31.053 1.785 6.979 1.00 11.34 O ATOM 724 CG2 THR A 45 31.582 -0.433 6.172 1.00 11.01 C ATOM 0 H THR A 45 29.341 -1.699 6.152 1.00 8.95 H new ATOM 0 HA THR A 45 28.502 0.991 6.857 1.00 9.49 H new ATOM 0 HB THR A 45 30.467 0.038 7.928 1.00 10.61 H new ATOM 0 HG1 THR A 45 31.936 1.800 7.403 1.00 11.34 H new ATOM 0 HG21 THR A 45 32.550 -0.374 6.669 1.00 11.01 H new ATOM 0 HG22 THR A 45 31.239 -1.468 6.167 1.00 11.01 H new ATOM 0 HG23 THR A 45 31.678 -0.078 5.146 1.00 11.01 H new ATOM 732 N LEU A 46 29.518 0.133 3.863 1.00 8.07 N ATOM 733 CA LEU A 46 29.755 0.581 2.497 1.00 7.71 C ATOM 734 C LEU A 46 28.464 1.098 1.843 1.00 6.77 C ATOM 735 O LEU A 46 28.491 2.081 1.106 1.00 6.93 O ATOM 736 CB LEU A 46 30.391 -0.576 1.707 1.00 7.55 C ATOM 737 CG LEU A 46 30.934 -0.265 0.305 1.00 7.70 C ATOM 738 CD1 LEU A 46 29.857 -0.473 -0.738 1.00 7.76 C ATOM 739 CD2 LEU A 46 31.490 1.151 0.232 1.00 8.22 C ATOM 0 H LEU A 46 29.594 -0.876 3.990 1.00 8.07 H new ATOM 0 HA LEU A 46 30.444 1.426 2.499 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.210 -0.979 2.303 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.647 -1.367 1.611 1.00 7.55 H new ATOM 0 HG LEU A 46 31.753 -0.955 0.099 1.00 7.70 H new ATOM 0 HD11 LEU A 46 30.259 -0.248 -1.726 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.519 -1.509 -0.711 1.00 7.76 H new ATOM 0 HD13 LEU A 46 29.016 0.188 -0.529 1.00 7.76 H new ATOM 0 HD21 LEU A 46 31.867 1.342 -0.773 1.00 8.22 H new ATOM 0 HD22 LEU A 46 30.700 1.865 0.465 1.00 8.22 H new ATOM 0 HD23 LEU A 46 32.302 1.261 0.951 1.00 8.22 H new ATOM 751 N LEU A 47 27.335 0.461 2.141 1.00 5.99 N ATOM 752 CA LEU A 47 26.047 0.882 1.586 1.00 5.15 C ATOM 753 C LEU A 47 25.660 2.257 2.133 1.00 5.48 C ATOM 754 O LEU A 47 25.287 3.153 1.377 1.00 5.21 O ATOM 755 CB LEU A 47 24.964 -0.169 1.911 1.00 4.73 C ATOM 756 CG LEU A 47 23.577 0.004 1.251 1.00 4.22 C ATOM 757 CD1 LEU A 47 22.760 1.090 1.938 1.00 4.20 C ATOM 758 CD2 LEU A 47 23.710 0.300 -0.238 1.00 4.34 C ATOM 0 H LEU A 47 27.283 -0.347 2.762 1.00 5.99 H new ATOM 0 HA LEU A 47 26.133 0.961 0.502 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.351 -1.148 1.628 1.00 4.73 H new ATOM 0 HB3 LEU A 47 24.822 -0.182 2.992 1.00 4.73 H new ATOM 0 HG LEU A 47 23.045 -0.940 1.368 1.00 4.22 H new ATOM 0 HD11 LEU A 47 21.792 1.183 1.446 1.00 4.20 H new ATOM 0 HD12 LEU A 47 22.612 0.826 2.985 1.00 4.20 H new ATOM 0 HD13 LEU A 47 23.291 2.040 1.875 1.00 4.20 H new ATOM 0 HD21 LEU A 47 22.719 0.417 -0.676 1.00 4.34 H new ATOM 0 HD22 LEU A 47 24.279 1.220 -0.377 1.00 4.34 H new ATOM 0 HD23 LEU A 47 24.228 -0.524 -0.728 1.00 4.34 H new ATOM 770 N VAL A 48 25.777 2.428 3.447 1.00 6.32 N ATOM 771 CA VAL A 48 25.365 3.671 4.091 1.00 6.92 C ATOM 772 C VAL A 48 26.328 4.816 3.781 1.00 7.62 C ATOM 773 O VAL A 48 25.945 5.981 3.782 1.00 7.93 O ATOM 774 CB VAL A 48 25.229 3.515 5.622 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.163 2.485 5.963 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.555 3.140 6.265 1.00 8.67 C ATOM 0 H VAL A 48 26.152 1.725 4.084 1.00 6.32 H new ATOM 0 HA VAL A 48 24.385 3.913 3.679 1.00 6.92 H new ATOM 0 HB VAL A 48 24.925 4.481 6.026 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.082 2.390 7.046 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.204 2.805 5.555 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.437 1.522 5.533 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.421 3.039 7.342 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.905 2.194 5.852 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.291 3.918 6.062 1.00 8.67 H new ATOM 786 N GLN A 49 27.578 4.484 3.509 1.00 8.03 N ATOM 787 CA GLN A 49 28.580 5.494 3.186 1.00 8.97 C ATOM 788 C GLN A 49 28.416 6.003 1.762 1.00 8.65 C ATOM 789 O GLN A 49 28.889 7.088 1.425 1.00 9.36 O ATOM 790 CB GLN A 49 29.990 4.938 3.381 1.00 9.65 C ATOM 791 CG GLN A 49 30.385 4.795 4.839 1.00 10.72 C ATOM 792 CD GLN A 49 30.400 6.123 5.566 1.00 11.48 C ATOM 793 OE1 GLN A 49 29.387 6.557 6.110 1.00 11.55 O ATOM 794 NE2 GLN A 49 31.548 6.778 5.578 1.00 12.22 N ATOM 0 H GLN A 49 27.926 3.525 3.504 1.00 8.03 H new ATOM 0 HA GLN A 49 28.431 6.332 3.868 1.00 8.97 H new ATOM 0 HB2 GLN A 49 30.059 3.964 2.896 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.703 5.594 2.882 1.00 9.65 H new ATOM 0 HG2 GLN A 49 29.689 4.119 5.336 1.00 10.72 H new ATOM 0 HG3 GLN A 49 31.373 4.338 4.902 1.00 10.72 H new ATOM 0 HE21 GLN A 49 32.366 6.382 5.114 1.00 12.22 H new ATOM 0 HE22 GLN A 49 31.616 7.679 6.051 1.00 12.22 H new ATOM 803 N ASN A 50 27.723 5.232 0.944 1.00 7.73 N ATOM 804 CA ASN A 50 27.594 5.537 -0.476 1.00 7.72 C ATOM 805 C ASN A 50 26.291 6.274 -0.775 1.00 7.17 C ATOM 806 O ASN A 50 25.929 6.464 -1.939 1.00 7.27 O ATOM 807 CB ASN A 50 27.663 4.235 -1.282 1.00 7.34 C ATOM 808 CG ASN A 50 28.383 4.401 -2.605 1.00 7.66 C ATOM 809 OD1 ASN A 50 29.298 5.218 -2.732 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.985 3.626 -3.600 1.00 7.49 N ATOM 0 H ASN A 50 27.237 4.385 1.237 1.00 7.73 H new ATOM 0 HA ASN A 50 28.415 6.194 -0.764 1.00 7.72 H new ATOM 0 HB2 ASN A 50 28.171 3.473 -0.690 1.00 7.34 H new ATOM 0 HB3 ASN A 50 26.651 3.873 -1.467 1.00 7.34 H new ATOM 0 HD21 ASN A 50 28.439 3.692 -4.511 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.224 2.962 -3.456 1.00 7.49 H new ATOM 817 N ALA A 51 25.593 6.721 0.267 1.00 6.83 N ATOM 818 CA ALA A 51 24.310 7.372 0.076 1.00 6.42 C ATOM 819 C ALA A 51 24.442 8.883 0.199 1.00 7.39 C ATOM 820 O ALA A 51 25.529 9.405 0.453 1.00 8.36 O ATOM 821 CB ALA A 51 23.292 6.837 1.073 1.00 5.86 C ATOM 0 H ALA A 51 25.894 6.643 1.239 1.00 6.83 H new ATOM 0 HA ALA A 51 23.959 7.148 -0.931 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.335 7.334 0.918 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.171 5.763 0.929 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.641 7.029 2.088 1.00 5.86 H new ATOM 827 N ASN A 52 23.331 9.577 0.002 1.00 7.23 N ATOM 828 CA ASN A 52 23.283 11.025 0.157 1.00 8.14 C ATOM 829 C ASN A 52 23.378 11.407 1.630 1.00 8.57 C ATOM 830 O ASN A 52 22.833 10.698 2.474 1.00 8.09 O ATOM 831 CB ASN A 52 21.978 11.571 -0.438 1.00 7.94 C ATOM 832 CG ASN A 52 21.787 13.059 -0.199 1.00 8.81 C ATOM 833 OD1 ASN A 52 21.233 13.471 0.820 1.00 9.40 O ATOM 834 ND2 ASN A 52 22.236 13.873 -1.139 1.00 9.07 N ATOM 0 H ASN A 52 22.442 9.156 -0.268 1.00 7.23 H new ATOM 0 HA ASN A 52 24.131 11.460 -0.373 1.00 8.14 H new ATOM 0 HB2 ASN A 52 21.967 11.378 -1.511 1.00 7.94 H new ATOM 0 HB3 ASN A 52 21.136 11.030 -0.008 1.00 7.94 H new ATOM 0 HD21 ASN A 52 22.129 14.882 -1.034 1.00 9.07 H new ATOM 0 HD22 ASN A 52 22.690 13.492 -1.969 1.00 9.07 H new ATOM 841 N PRO A 53 24.094 12.502 1.960 1.00 9.68 N ATOM 842 CA PRO A 53 24.247 12.986 3.336 1.00 10.41 C ATOM 843 C PRO A 53 22.985 12.823 4.184 1.00 10.13 C ATOM 844 O PRO A 53 23.036 12.253 5.275 1.00 10.29 O ATOM 845 CB PRO A 53 24.567 14.463 3.129 1.00 11.56 C ATOM 846 CG PRO A 53 25.337 14.502 1.851 1.00 11.66 C ATOM 847 CD PRO A 53 24.845 13.348 1.010 1.00 10.51 C ATOM 0 HA PRO A 53 25.005 12.426 3.883 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.658 15.061 3.063 1.00 11.56 H new ATOM 0 HB3 PRO A 53 25.152 14.862 3.957 1.00 11.56 H new ATOM 0 HG2 PRO A 53 25.182 15.450 1.335 1.00 11.66 H new ATOM 0 HG3 PRO A 53 26.407 14.413 2.041 1.00 11.66 H new ATOM 0 HD2 PRO A 53 24.209 13.692 0.194 1.00 10.51 H new ATOM 0 HD3 PRO A 53 25.674 12.802 0.559 1.00 10.51 H new ATOM 855 N ASP A 54 21.854 13.287 3.657 1.00 9.86 N ATOM 856 CA ASP A 54 20.582 13.261 4.384 1.00 9.76 C ATOM 857 C ASP A 54 20.127 11.828 4.640 1.00 8.93 C ATOM 858 O ASP A 54 19.717 11.476 5.745 1.00 9.26 O ATOM 859 CB ASP A 54 19.508 13.993 3.578 1.00 9.71 C ATOM 860 CG ASP A 54 18.288 14.344 4.407 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.218 15.486 4.910 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.390 13.491 4.558 1.00 9.67 O ATOM 0 H ASP A 54 21.791 13.689 2.722 1.00 9.86 H new ATOM 0 HA ASP A 54 20.731 13.758 5.343 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.933 14.906 3.160 1.00 9.71 H new ATOM 0 HB3 ASP A 54 19.203 13.370 2.737 1.00 9.71 H new ATOM 867 N CYS A 55 20.225 11.010 3.604 1.00 8.04 N ATOM 868 CA CYS A 55 19.809 9.610 3.667 1.00 7.30 C ATOM 869 C CYS A 55 20.666 8.824 4.655 1.00 7.57 C ATOM 870 O CYS A 55 20.183 7.926 5.338 1.00 7.74 O ATOM 871 CB CYS A 55 19.897 8.975 2.281 1.00 6.46 C ATOM 872 SG CYS A 55 18.973 9.867 1.011 1.00 6.30 S ATOM 0 H CYS A 55 20.594 11.293 2.696 1.00 8.04 H new ATOM 0 HA CYS A 55 18.776 9.579 4.014 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.944 8.919 1.983 1.00 6.46 H new ATOM 0 HB3 CYS A 55 19.526 7.952 2.336 1.00 6.46 H new ATOM 0 HG CYS A 55 19.320 9.432 -0.164 1.00 6.30 H new ATOM 878 N LYS A 56 21.946 9.162 4.718 1.00 7.87 N ATOM 879 CA LYS A 56 22.847 8.560 5.693 1.00 8.36 C ATOM 880 C LYS A 56 22.496 9.068 7.083 1.00 9.50 C ATOM 881 O LYS A 56 22.486 8.318 8.061 1.00 10.04 O ATOM 882 CB LYS A 56 24.291 8.936 5.374 1.00 8.58 C ATOM 883 CG LYS A 56 24.722 8.635 3.958 1.00 8.84 C ATOM 884 CD LYS A 56 25.831 9.580 3.530 1.00 8.68 C ATOM 885 CE LYS A 56 26.996 9.579 4.513 1.00 9.50 C ATOM 886 NZ LYS A 56 27.703 8.273 4.542 1.00 9.81 N ATOM 0 H LYS A 56 22.385 9.850 4.106 1.00 7.87 H new ATOM 0 HA LYS A 56 22.741 7.476 5.654 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.425 10.001 5.562 1.00 8.58 H new ATOM 0 HB3 LYS A 56 24.951 8.406 6.061 1.00 8.58 H new ATOM 0 HG2 LYS A 56 25.067 7.603 3.888 1.00 8.84 H new ATOM 0 HG3 LYS A 56 23.871 8.733 3.284 1.00 8.84 H new ATOM 0 HD2 LYS A 56 26.191 9.292 2.542 1.00 8.68 H new ATOM 0 HD3 LYS A 56 25.432 10.591 3.442 1.00 8.68 H new ATOM 0 HE2 LYS A 56 27.700 10.366 4.241 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.627 9.813 5.512 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 28.016 8.069 5.513 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.059 7.522 4.221 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 28.530 8.312 3.912 1.00 9.81 H new ATOM 900 N THR A 57 22.202 10.359 7.135 1.00 9.98 N ATOM 901 CA THR A 57 21.858 11.053 8.366 1.00 11.08 C ATOM 902 C THR A 57 20.706 10.377 9.112 1.00 11.16 C ATOM 903 O THR A 57 20.837 10.054 10.292 1.00 12.08 O ATOM 904 CB THR A 57 21.502 12.521 8.056 1.00 11.53 C ATOM 905 OG1 THR A 57 22.687 13.236 7.684 1.00 12.00 O ATOM 906 CG2 THR A 57 20.834 13.209 9.234 1.00 12.46 C ATOM 0 H THR A 57 22.196 10.961 6.312 1.00 9.98 H new ATOM 0 HA THR A 57 22.730 11.015 9.019 1.00 11.08 H new ATOM 0 HB THR A 57 20.790 12.521 7.230 1.00 11.53 H new ATOM 0 HG1 THR A 57 23.144 12.758 6.961 1.00 12.00 H new ATOM 0 HG21 THR A 57 20.602 14.240 8.969 1.00 12.46 H new ATOM 0 HG22 THR A 57 19.913 12.684 9.488 1.00 12.46 H new ATOM 0 HG23 THR A 57 21.507 13.197 10.091 1.00 12.46 H new ATOM 914 N ILE A 58 19.593 10.152 8.424 1.00 10.34 N ATOM 915 CA ILE A 58 18.415 9.565 9.059 1.00 10.60 C ATOM 916 C ILE A 58 18.725 8.210 9.687 1.00 10.65 C ATOM 917 O ILE A 58 18.267 7.915 10.787 1.00 11.46 O ATOM 918 CB ILE A 58 17.245 9.392 8.071 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.705 8.632 6.827 1.00 8.86 C ATOM 920 CG2 ILE A 58 16.659 10.744 7.696 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.581 8.229 5.906 1.00 8.44 C ATOM 0 H ILE A 58 19.480 10.365 7.433 1.00 10.34 H new ATOM 0 HA ILE A 58 18.121 10.268 9.838 1.00 10.60 H new ATOM 0 HB ILE A 58 16.463 8.808 8.557 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.410 9.253 6.274 1.00 8.86 H new ATOM 0 HG13 ILE A 58 18.245 7.738 7.139 1.00 8.86 H new ATOM 0 HG21 ILE A 58 15.834 10.602 6.998 1.00 10.22 H new ATOM 0 HG22 ILE A 58 16.293 11.243 8.593 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.429 11.357 7.228 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.988 7.695 5.047 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.887 7.581 6.441 1.00 8.44 H new ATOM 0 HD13 ILE A 58 16.055 9.120 5.563 1.00 8.44 H new ATOM 933 N LEU A 59 19.522 7.405 8.992 1.00 9.90 N ATOM 934 CA LEU A 59 19.843 6.056 9.445 1.00 9.98 C ATOM 935 C LEU A 59 20.524 6.081 10.807 1.00 11.20 C ATOM 936 O LEU A 59 20.151 5.338 11.718 1.00 11.84 O ATOM 937 CB LEU A 59 20.747 5.356 8.429 1.00 9.07 C ATOM 938 CG LEU A 59 20.191 5.283 7.006 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.158 4.552 6.090 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.832 4.604 6.998 1.00 7.92 C ATOM 0 H LEU A 59 19.960 7.665 8.108 1.00 9.90 H new ATOM 0 HA LEU A 59 18.908 5.503 9.537 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.706 5.874 8.402 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.943 4.342 8.778 1.00 9.07 H new ATOM 0 HG LEU A 59 20.069 6.300 6.634 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.744 4.511 5.082 1.00 7.28 H new ATOM 0 HD12 LEU A 59 22.111 5.081 6.070 1.00 7.28 H new ATOM 0 HD13 LEU A 59 21.314 3.539 6.460 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.453 4.561 5.977 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.928 3.592 7.392 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.139 5.171 7.619 1.00 7.92 H new ATOM 952 N LYS A 60 21.511 6.949 10.950 1.00 11.67 N ATOM 953 CA LYS A 60 22.264 7.041 12.192 1.00 12.90 C ATOM 954 C LYS A 60 21.496 7.857 13.227 1.00 13.86 C ATOM 955 O LYS A 60 21.729 7.734 14.429 1.00 14.91 O ATOM 956 CB LYS A 60 23.651 7.635 11.931 1.00 13.23 C ATOM 957 CG LYS A 60 23.627 9.044 11.364 1.00 13.20 C ATOM 958 CD LYS A 60 24.908 9.365 10.612 1.00 13.44 C ATOM 959 CE LYS A 60 26.143 9.223 11.491 1.00 14.35 C ATOM 960 NZ LYS A 60 26.155 10.200 12.611 1.00 14.91 N ATOM 0 H LYS A 60 21.810 7.600 10.224 1.00 11.67 H new ATOM 0 HA LYS A 60 22.398 6.037 12.595 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.213 7.640 12.865 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.188 6.986 11.239 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.774 9.153 10.694 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.490 9.761 12.174 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.998 8.701 9.752 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.855 10.383 10.225 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.185 8.211 11.894 1.00 14.35 H new ATOM 0 HE3 LYS A 60 27.037 9.361 10.883 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.053 10.122 13.130 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 26.057 11.164 12.232 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 25.364 9.999 13.255 1.00 14.91 H new ATOM 974 N ALA A 61 20.558 8.667 12.756 1.00 13.54 N ATOM 975 CA ALA A 61 19.735 9.482 13.638 1.00 14.41 C ATOM 976 C ALA A 61 18.624 8.652 14.270 1.00 14.65 C ATOM 977 O ALA A 61 17.965 9.097 15.207 1.00 15.64 O ATOM 978 CB ALA A 61 19.152 10.667 12.884 1.00 14.06 C ATOM 0 H ALA A 61 20.348 8.777 11.764 1.00 13.54 H new ATOM 0 HA ALA A 61 20.372 9.861 14.438 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.540 11.264 13.561 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.961 11.281 12.490 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.536 10.307 12.060 1.00 14.06 H new ATOM 984 N LEU A 62 18.406 7.451 13.739 1.00 13.84 N ATOM 985 CA LEU A 62 17.444 6.525 14.323 1.00 14.21 C ATOM 986 C LEU A 62 17.944 6.021 15.669 1.00 14.97 C ATOM 987 O LEU A 62 17.163 5.789 16.590 1.00 15.72 O ATOM 988 CB LEU A 62 17.210 5.338 13.388 1.00 13.37 C ATOM 989 CG LEU A 62 16.638 5.689 12.015 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.722 4.487 11.094 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.202 6.173 12.139 1.00 12.25 C ATOM 0 H LEU A 62 18.882 7.099 12.908 1.00 13.84 H new ATOM 0 HA LEU A 62 16.503 7.056 14.467 1.00 14.21 H new ATOM 0 HB2 LEU A 62 18.157 4.817 13.246 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.532 4.639 13.878 1.00 13.37 H new ATOM 0 HG LEU A 62 17.230 6.498 11.587 1.00 12.15 H new ATOM 0 HD11 LEU A 62 16.312 4.747 10.118 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.764 4.187 10.982 1.00 11.39 H new ATOM 0 HD13 LEU A 62 16.151 3.662 11.519 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.814 6.418 11.150 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.591 5.388 12.585 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.170 7.061 12.771 1.00 12.25 H new ATOM 1055 N LEU A 68 18.804 -3.449 9.095 1.00 12.22 N ATOM 1056 CA LEU A 68 18.409 -3.820 7.738 1.00 11.25 C ATOM 1057 C LEU A 68 16.998 -3.320 7.442 1.00 11.10 C ATOM 1058 O LEU A 68 16.801 -2.467 6.581 1.00 10.12 O ATOM 1059 CB LEU A 68 18.503 -5.347 7.554 1.00 11.69 C ATOM 1060 CG LEU A 68 18.515 -5.871 6.104 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.142 -5.763 5.457 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.554 -5.130 5.272 1.00 9.79 C ATOM 0 HA LEU A 68 19.091 -3.349 7.030 1.00 11.25 H new ATOM 0 HB2 LEU A 68 19.410 -5.694 8.049 1.00 11.69 H new ATOM 0 HB3 LEU A 68 17.662 -5.805 8.074 1.00 11.69 H new ATOM 0 HG LEU A 68 18.783 -6.927 6.140 1.00 10.84 H new ATOM 0 HD11 LEU A 68 17.190 -6.142 4.436 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.423 -6.350 6.028 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.828 -4.719 5.442 1.00 10.70 H new ATOM 0 HD21 LEU A 68 19.546 -5.515 4.252 1.00 9.79 H new ATOM 0 HD22 LEU A 68 19.319 -4.066 5.260 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.542 -5.278 5.708 1.00 9.79 H new ATOM 1074 N GLU A 69 16.015 -3.832 8.170 1.00 12.16 N ATOM 1075 CA GLU A 69 14.631 -3.425 7.951 1.00 12.26 C ATOM 1076 C GLU A 69 14.431 -1.991 8.419 1.00 11.96 C ATOM 1077 O GLU A 69 13.538 -1.281 7.951 1.00 11.57 O ATOM 1078 CB GLU A 69 13.667 -4.365 8.678 1.00 13.61 C ATOM 1079 CG GLU A 69 13.893 -4.431 10.179 1.00 14.60 C ATOM 1080 CD GLU A 69 12.950 -5.390 10.869 1.00 15.86 C ATOM 1081 OE1 GLU A 69 13.284 -6.590 10.974 1.00 16.53 O ATOM 1082 OE2 GLU A 69 11.875 -4.949 11.320 1.00 16.24 O ATOM 0 H GLU A 69 16.146 -4.522 8.910 1.00 12.16 H new ATOM 0 HA GLU A 69 14.417 -3.481 6.884 1.00 12.26 H new ATOM 0 HB2 GLU A 69 12.644 -4.040 8.488 1.00 13.61 H new ATOM 0 HB3 GLU A 69 13.766 -5.367 8.260 1.00 13.61 H new ATOM 0 HG2 GLU A 69 14.921 -4.735 10.374 1.00 14.60 H new ATOM 0 HG3 GLU A 69 13.769 -3.436 10.605 1.00 14.60 H new ATOM 1089 N GLU A 70 15.288 -1.573 9.333 1.00 12.26 N ATOM 1090 CA GLU A 70 15.252 -0.225 9.865 1.00 12.19 C ATOM 1091 C GLU A 70 15.633 0.777 8.784 1.00 10.92 C ATOM 1092 O GLU A 70 14.928 1.757 8.558 1.00 10.57 O ATOM 1093 CB GLU A 70 16.207 -0.119 11.046 1.00 13.06 C ATOM 1094 CG GLU A 70 16.148 -1.321 11.973 1.00 14.21 C ATOM 1095 CD GLU A 70 16.909 -1.100 13.259 1.00 15.02 C ATOM 1096 OE1 GLU A 70 16.315 -0.561 14.213 1.00 15.56 O ATOM 1097 OE2 GLU A 70 18.104 -1.457 13.313 1.00 15.23 O ATOM 0 H GLU A 70 16.026 -2.157 9.726 1.00 12.26 H new ATOM 0 HA GLU A 70 14.241 0.002 10.203 1.00 12.19 H new ATOM 0 HB2 GLU A 70 17.225 -0.006 10.673 1.00 13.06 H new ATOM 0 HB3 GLU A 70 15.974 0.782 11.614 1.00 13.06 H new ATOM 0 HG2 GLU A 70 15.107 -1.546 12.205 1.00 14.21 H new ATOM 0 HG3 GLU A 70 16.555 -2.192 11.459 1.00 14.21 H new ATOM 1104 N MET A 71 16.739 0.507 8.094 1.00 10.30 N ATOM 1105 CA MET A 71 17.190 1.383 7.016 1.00 9.14 C ATOM 1106 C MET A 71 16.235 1.302 5.834 1.00 8.31 C ATOM 1107 O MET A 71 16.090 2.258 5.081 1.00 7.58 O ATOM 1108 CB MET A 71 18.625 1.053 6.569 1.00 8.85 C ATOM 1109 CG MET A 71 18.816 -0.360 6.045 1.00 8.69 C ATOM 1110 SD MET A 71 20.447 -0.630 5.321 1.00 8.41 S ATOM 1111 CE MET A 71 21.515 -0.292 6.716 1.00 8.50 C ATOM 0 H MET A 71 17.335 -0.304 8.260 1.00 10.30 H new ATOM 0 HA MET A 71 17.195 2.402 7.403 1.00 9.14 H new ATOM 0 HB2 MET A 71 18.920 1.758 5.791 1.00 8.85 H new ATOM 0 HB3 MET A 71 19.299 1.208 7.412 1.00 8.85 H new ATOM 0 HG2 MET A 71 18.665 -1.067 6.860 1.00 8.69 H new ATOM 0 HG3 MET A 71 18.053 -0.570 5.296 1.00 8.69 H new ATOM 0 HE1 MET A 71 22.521 -0.653 6.500 1.00 8.50 H new ATOM 0 HE2 MET A 71 21.546 0.782 6.898 1.00 8.50 H new ATOM 0 HE3 MET A 71 21.130 -0.799 7.601 1.00 8.50 H new ATOM 1121 N MET A 72 15.565 0.165 5.692 1.00 8.67 N ATOM 1122 CA MET A 72 14.564 0.004 4.647 1.00 8.32 C ATOM 1123 C MET A 72 13.403 0.948 4.896 1.00 8.63 C ATOM 1124 O MET A 72 13.015 1.719 4.025 1.00 8.10 O ATOM 1125 CB MET A 72 14.060 -1.438 4.601 1.00 9.08 C ATOM 1126 CG MET A 72 13.104 -1.710 3.448 1.00 9.10 C ATOM 1127 SD MET A 72 12.417 -3.375 3.497 1.00 10.28 S ATOM 1128 CE MET A 72 13.911 -4.358 3.403 1.00 11.15 C ATOM 0 H MET A 72 15.696 -0.655 6.284 1.00 8.67 H new ATOM 0 HA MET A 72 15.023 0.241 3.687 1.00 8.32 H new ATOM 0 HB2 MET A 72 14.914 -2.111 4.521 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.559 -1.670 5.541 1.00 9.08 H new ATOM 0 HG2 MET A 72 12.291 -0.984 3.476 1.00 9.10 H new ATOM 0 HG3 MET A 72 13.629 -1.565 2.504 1.00 9.10 H new ATOM 0 HE1 MET A 72 13.653 -5.392 3.173 1.00 11.15 H new ATOM 0 HE2 MET A 72 14.558 -3.963 2.620 1.00 11.15 H new ATOM 0 HE3 MET A 72 14.433 -4.318 4.359 1.00 11.15 H new ATOM 1138 N THR A 73 12.877 0.888 6.107 1.00 9.62 N ATOM 1139 CA THR A 73 11.772 1.738 6.525 1.00 10.09 C ATOM 1140 C THR A 73 12.178 3.214 6.520 1.00 9.53 C ATOM 1141 O THR A 73 11.350 4.104 6.308 1.00 9.49 O ATOM 1142 CB THR A 73 11.294 1.336 7.934 1.00 11.37 C ATOM 1143 OG1 THR A 73 11.025 -0.073 7.963 1.00 12.02 O ATOM 1144 CG2 THR A 73 10.042 2.104 8.337 1.00 11.93 C ATOM 0 H THR A 73 13.204 0.248 6.831 1.00 9.62 H new ATOM 0 HA THR A 73 10.957 1.602 5.814 1.00 10.09 H new ATOM 0 HB THR A 73 12.083 1.581 8.645 1.00 11.37 H new ATOM 0 HG1 THR A 73 11.870 -0.566 8.023 1.00 12.02 H new ATOM 0 HG21 THR A 73 9.732 1.796 9.336 1.00 11.93 H new ATOM 0 HG22 THR A 73 10.255 3.173 8.336 1.00 11.93 H new ATOM 0 HG23 THR A 73 9.242 1.893 7.628 1.00 11.93 H new ATOM 1152 N ALA A 74 13.460 3.457 6.745 1.00 9.27 N ATOM 1153 CA ALA A 74 13.993 4.809 6.780 1.00 9.02 C ATOM 1154 C ALA A 74 14.206 5.368 5.375 1.00 8.01 C ATOM 1155 O ALA A 74 13.838 6.507 5.091 1.00 8.00 O ATOM 1156 CB ALA A 74 15.294 4.827 7.563 1.00 9.32 C ATOM 0 H ALA A 74 14.155 2.728 6.907 1.00 9.27 H new ATOM 0 HA ALA A 74 13.263 5.449 7.277 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.690 5.842 7.587 1.00 9.32 H new ATOM 0 HB2 ALA A 74 15.110 4.485 8.582 1.00 9.32 H new ATOM 0 HB3 ALA A 74 16.017 4.167 7.083 1.00 9.32 H new ATOM 1162 N CYS A 75 14.788 4.567 4.492 1.00 7.31 N ATOM 1163 CA CYS A 75 15.110 5.022 3.142 1.00 6.51 C ATOM 1164 C CYS A 75 13.941 4.824 2.177 1.00 6.63 C ATOM 1165 O CYS A 75 14.097 4.955 0.965 1.00 6.46 O ATOM 1166 CB CYS A 75 16.350 4.298 2.621 1.00 5.86 C ATOM 1167 SG CYS A 75 17.846 4.608 3.589 1.00 6.16 S ATOM 0 H CYS A 75 15.047 3.599 4.684 1.00 7.31 H new ATOM 0 HA CYS A 75 15.313 6.092 3.198 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.154 3.226 2.609 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.528 4.601 1.589 1.00 5.86 H new ATOM 0 HG CYS A 75 18.151 3.543 4.269 1.00 6.16 H new ATOM 1173 N GLN A 76 12.776 4.495 2.708 1.00 7.27 N ATOM 1174 CA GLN A 76 11.579 4.420 1.888 1.00 7.76 C ATOM 1175 C GLN A 76 10.705 5.640 2.156 1.00 8.19 C ATOM 1176 O GLN A 76 10.369 5.939 3.304 1.00 8.73 O ATOM 1177 CB GLN A 76 10.819 3.100 2.126 1.00 8.60 C ATOM 1178 CG GLN A 76 10.207 2.935 3.511 1.00 9.19 C ATOM 1179 CD GLN A 76 8.792 3.473 3.599 1.00 10.10 C ATOM 1180 OE1 GLN A 76 8.047 3.459 2.618 1.00 10.49 O ATOM 1181 NE2 GLN A 76 8.415 3.958 4.771 1.00 10.66 N ATOM 0 H GLN A 76 12.633 4.277 3.694 1.00 7.27 H new ATOM 0 HA GLN A 76 11.864 4.425 0.836 1.00 7.76 H new ATOM 0 HB2 GLN A 76 10.024 3.021 1.385 1.00 8.60 H new ATOM 0 HB3 GLN A 76 11.503 2.270 1.949 1.00 8.60 H new ATOM 0 HG2 GLN A 76 10.206 1.878 3.779 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.832 3.448 4.242 1.00 9.19 H new ATOM 0 HE21 GLN A 76 9.063 3.951 5.558 1.00 10.66 H new ATOM 0 HE22 GLN A 76 7.476 4.339 4.887 1.00 10.66 H new ATOM 1190 N GLY A 77 10.398 6.382 1.104 1.00 8.13 N ATOM 1191 CA GLY A 77 9.602 7.583 1.254 1.00 8.58 C ATOM 1192 C GLY A 77 10.379 8.696 1.927 1.00 8.30 C ATOM 1193 O GLY A 77 9.793 9.666 2.416 1.00 8.85 O ATOM 0 H GLY A 77 10.686 6.175 0.148 1.00 8.13 H new ATOM 0 HA2 GLY A 77 9.263 7.918 0.274 1.00 8.58 H new ATOM 0 HA3 GLY A 77 8.711 7.357 1.840 1.00 8.58 H new ATOM 1197 N VAL A 78 11.701 8.559 1.949 1.00 7.65 N ATOM 1198 CA VAL A 78 12.558 9.535 2.606 1.00 7.69 C ATOM 1199 C VAL A 78 12.586 10.839 1.818 1.00 8.18 C ATOM 1200 O VAL A 78 13.004 10.878 0.659 1.00 8.24 O ATOM 1201 CB VAL A 78 13.999 9.000 2.815 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.610 8.509 1.510 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.882 10.065 3.452 1.00 7.23 C ATOM 0 H VAL A 78 12.201 7.781 1.519 1.00 7.65 H new ATOM 0 HA VAL A 78 12.134 9.724 3.592 1.00 7.69 H new ATOM 0 HB VAL A 78 13.937 8.148 3.492 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.619 8.142 1.696 1.00 7.56 H new ATOM 0 HG12 VAL A 78 14.000 7.703 1.103 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.649 9.331 0.795 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.888 9.669 3.590 1.00 7.23 H new ATOM 0 HG22 VAL A 78 14.922 10.940 2.803 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.469 10.349 4.420 1.00 7.23 H new