USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00629) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.27 K(o=-4.3,f=-6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.409 (180deg=-1.08) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.418) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.076 -7.967 -1.999 1.00 0.00 N ATOM 89 CA ALA A 9 -0.823 -7.014 -2.810 1.00 0.00 C ATOM 90 C ALA A 9 -1.512 -5.971 -1.937 1.00 0.00 C ATOM 91 O ALA A 9 -2.313 -6.308 -1.066 1.00 0.00 O ATOM 92 CB ALA A 9 -1.844 -7.742 -3.672 1.00 0.00 C ATOM 0 HA ALA A 9 -0.118 -6.496 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.395 -7.018 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.331 -8.444 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.539 -8.286 -3.032 1.00 0.00 H new ATOM 98 N ALA A 10 -1.193 -4.703 -2.176 1.00 0.00 N ATOM 99 CA ALA A 10 -1.783 -3.611 -1.411 1.00 0.00 C ATOM 100 C ALA A 10 -2.314 -2.519 -2.334 1.00 0.00 C ATOM 101 O ALA A 10 -1.991 -2.486 -3.522 1.00 0.00 O ATOM 102 CB ALA A 10 -0.762 -3.034 -0.442 1.00 0.00 C ATOM 0 H ALA A 10 -0.530 -4.407 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.623 -4.011 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.216 -2.220 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.432 -3.813 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.095 -2.656 -0.999 1.00 0.00 H new ATOM 108 N ARG A 11 -3.132 -1.629 -1.781 1.00 0.00 N ATOM 109 CA ARG A 11 -3.709 -0.538 -2.556 1.00 0.00 C ATOM 110 C ARG A 11 -3.408 0.809 -1.906 1.00 0.00 C ATOM 111 O ARG A 11 -3.392 0.930 -0.680 1.00 0.00 O ATOM 112 CB ARG A 11 -5.222 -0.724 -2.690 1.00 0.00 C ATOM 113 CG ARG A 11 -5.885 0.304 -3.592 1.00 0.00 C ATOM 114 CD ARG A 11 -7.210 -0.205 -4.137 1.00 0.00 C ATOM 115 NE ARG A 11 -8.236 -0.279 -3.100 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.923 0.774 -2.670 1.00 0.00 C ATOM 117 NH1 ARG A 11 -8.695 1.974 -3.185 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.841 0.627 -1.723 1.00 0.00 N ATOM 0 H ARG A 11 -3.410 -1.642 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.258 -0.553 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.424 -1.721 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.675 -0.672 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.050 1.226 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.219 0.547 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.550 0.453 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.066 -1.192 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.436 -1.188 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.991 2.091 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.224 2.780 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.020 -0.295 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.368 1.436 -1.394 1.00 0.00 H new ATOM 132 N LEU A 12 -3.168 1.819 -2.735 1.00 0.00 N ATOM 133 CA LEU A 12 -2.866 3.159 -2.242 1.00 0.00 C ATOM 134 C LEU A 12 -4.137 3.873 -1.793 1.00 0.00 C ATOM 135 O LEU A 12 -4.945 4.300 -2.618 1.00 0.00 O ATOM 136 CB LEU A 12 -2.162 3.976 -3.326 1.00 0.00 C ATOM 137 CG LEU A 12 -0.636 3.894 -3.345 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.051 4.530 -2.093 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.181 2.447 -3.472 1.00 0.00 C ATOM 0 H LEU A 12 -3.177 1.736 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.203 3.063 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.535 3.651 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.448 5.021 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.273 4.446 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.036 4.462 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.348 5.578 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.422 4.007 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.908 2.408 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.556 1.872 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.569 2.023 -4.398 1.00 0.00 H new ATOM 151 N LYS A 13 -4.306 4.002 -0.482 1.00 0.00 N ATOM 152 CA LYS A 13 -5.476 4.669 0.077 1.00 0.00 C ATOM 153 C LYS A 13 -5.680 6.038 -0.563 1.00 0.00 C ATOM 154 O LYS A 13 -6.799 6.549 -0.616 1.00 0.00 O ATOM 155 CB LYS A 13 -5.326 4.819 1.593 1.00 0.00 C ATOM 156 CG LYS A 13 -5.629 3.546 2.364 1.00 0.00 C ATOM 157 CD LYS A 13 -6.182 3.849 3.746 1.00 0.00 C ATOM 158 CE LYS A 13 -5.067 4.068 4.757 1.00 0.00 C ATOM 159 NZ LYS A 13 -4.662 2.798 5.421 1.00 0.00 N ATOM 0 H LYS A 13 -3.647 3.653 0.214 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.351 4.055 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.308 5.137 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.991 5.610 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.348 2.945 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.720 2.951 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.812 4.737 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.815 3.025 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.204 4.507 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.396 4.783 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.687 2.885 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.301 2.604 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.716 2.016 4.737 1.00 0.00 H new ATOM 173 N PHE A 14 -4.592 6.627 -1.048 1.00 0.00 N ATOM 174 CA PHE A 14 -4.653 7.937 -1.686 1.00 0.00 C ATOM 175 C PHE A 14 -3.432 8.168 -2.572 1.00 0.00 C ATOM 176 O PHE A 14 -2.370 7.588 -2.346 1.00 0.00 O ATOM 177 CB PHE A 14 -4.744 9.039 -0.628 1.00 0.00 C ATOM 178 CG PHE A 14 -5.879 8.850 0.338 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.736 8.024 1.441 1.00 0.00 C ATOM 180 CD2 PHE A 14 -7.088 9.498 0.142 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.778 7.848 2.332 1.00 0.00 C ATOM 182 CE2 PHE A 14 -8.133 9.326 1.030 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.979 8.499 2.126 1.00 0.00 C ATOM 0 H PHE A 14 -3.658 6.218 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.545 7.968 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.807 9.077 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.858 10.002 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.800 7.512 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.215 10.144 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.653 7.202 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.070 9.838 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.795 8.362 2.820 1.00 0.00 H new ATOM 193 N ASP A 15 -3.593 9.017 -3.580 1.00 0.00 N ATOM 194 CA ASP A 15 -2.505 9.326 -4.501 1.00 0.00 C ATOM 195 C ASP A 15 -1.259 9.769 -3.741 1.00 0.00 C ATOM 196 O ASP A 15 -1.241 10.835 -3.125 1.00 0.00 O ATOM 197 CB ASP A 15 -2.934 10.417 -5.484 1.00 0.00 C ATOM 198 CG ASP A 15 -4.382 10.276 -5.910 1.00 0.00 C ATOM 199 OD1 ASP A 15 -5.268 10.745 -5.166 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.628 9.697 -6.989 1.00 0.00 O ATOM 0 H ASP A 15 -4.466 9.504 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.265 8.420 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.787 11.394 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.294 10.380 -6.365 1.00 0.00 H new ATOM 205 N PHE A 16 -0.219 8.944 -3.788 1.00 0.00 N ATOM 206 CA PHE A 16 1.031 9.250 -3.102 1.00 0.00 C ATOM 207 C PHE A 16 2.004 9.962 -4.037 1.00 0.00 C ATOM 208 O PHE A 16 2.171 9.571 -5.191 1.00 0.00 O ATOM 209 CB PHE A 16 1.670 7.968 -2.564 1.00 0.00 C ATOM 210 CG PHE A 16 3.034 8.180 -1.972 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.267 9.223 -1.091 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.083 7.335 -2.296 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.521 9.421 -0.546 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.340 7.527 -1.754 1.00 0.00 C ATOM 215 CZ PHE A 16 5.559 8.571 -0.876 1.00 0.00 C ATOM 0 H PHE A 16 -0.217 8.058 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 16 0.805 9.913 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.017 7.537 -1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.743 7.241 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.459 9.889 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.917 6.516 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.690 10.240 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.150 6.862 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.539 8.722 -0.449 1.00 0.00 H new ATOM 225 N GLN A 17 2.644 11.011 -3.528 1.00 0.00 N ATOM 226 CA GLN A 17 3.599 11.779 -4.318 1.00 0.00 C ATOM 227 C GLN A 17 4.982 11.754 -3.675 1.00 0.00 C ATOM 228 O GLN A 17 5.230 12.444 -2.687 1.00 0.00 O ATOM 229 CB GLN A 17 3.121 13.224 -4.470 1.00 0.00 C ATOM 230 CG GLN A 17 1.763 13.348 -5.141 1.00 0.00 C ATOM 231 CD GLN A 17 1.212 14.759 -5.088 1.00 0.00 C ATOM 232 OE1 GLN A 17 1.281 15.502 -6.068 1.00 0.00 O ATOM 233 NE2 GLN A 17 0.661 15.137 -3.940 1.00 0.00 N ATOM 0 H GLN A 17 2.518 11.348 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 17 3.668 11.320 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.074 13.688 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.856 13.782 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.846 13.033 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.060 12.669 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.625 14.488 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.274 16.076 -3.845 1.00 0.00 H new ATOM 242 N ALA A 18 5.878 10.952 -4.241 1.00 0.00 N ATOM 243 CA ALA A 18 7.236 10.838 -3.724 1.00 0.00 C ATOM 244 C ALA A 18 8.031 12.114 -3.982 1.00 0.00 C ATOM 245 O ALA A 18 8.084 12.605 -5.109 1.00 0.00 O ATOM 246 CB ALA A 18 7.939 9.641 -4.347 1.00 0.00 C ATOM 0 H ALA A 18 5.688 10.372 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 18 7.176 10.690 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.952 9.568 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.389 8.731 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.980 9.766 -5.429 1.00 0.00 H new ATOM 252 N GLN A 19 8.645 12.645 -2.931 1.00 0.00 N ATOM 253 CA GLN A 19 9.436 13.865 -3.044 1.00 0.00 C ATOM 254 C GLN A 19 10.862 13.551 -3.483 1.00 0.00 C ATOM 255 O GLN A 19 11.479 14.320 -4.220 1.00 0.00 O ATOM 256 CB GLN A 19 9.453 14.613 -1.710 1.00 0.00 C ATOM 257 CG GLN A 19 9.614 16.118 -1.858 1.00 0.00 C ATOM 258 CD GLN A 19 9.677 16.832 -0.523 1.00 0.00 C ATOM 259 OE1 GLN A 19 10.276 16.336 0.432 1.00 0.00 O ATOM 260 NE2 GLN A 19 9.056 18.004 -0.448 1.00 0.00 N ATOM 0 H GLN A 19 8.610 12.250 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 19 8.974 14.498 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.526 14.406 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.268 14.227 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.523 16.329 -2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.780 16.513 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.572 18.378 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.063 18.530 0.426 1.00 0.00 H new ATOM 269 N SER A 20 11.380 12.416 -3.025 1.00 0.00 N ATOM 270 CA SER A 20 12.736 12.001 -3.367 1.00 0.00 C ATOM 271 C SER A 20 12.724 11.003 -4.520 1.00 0.00 C ATOM 272 O SER A 20 11.719 10.349 -4.799 1.00 0.00 O ATOM 273 CB SER A 20 13.425 11.383 -2.149 1.00 0.00 C ATOM 274 OG SER A 20 14.053 12.378 -1.358 1.00 0.00 O ATOM 0 H SER A 20 10.881 11.767 -2.416 1.00 0.00 H new ATOM 0 HA SER A 20 13.292 12.885 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.693 10.844 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.166 10.654 -2.477 1.00 0.00 H new ATOM 0 HG SER A 20 14.484 11.957 -0.585 1.00 0.00 H new ATOM 280 N PRO A 21 13.869 10.881 -5.208 1.00 0.00 N ATOM 281 CA PRO A 21 14.018 9.965 -6.342 1.00 0.00 C ATOM 282 C PRO A 21 14.008 8.502 -5.911 1.00 0.00 C ATOM 283 O PRO A 21 13.557 7.628 -6.652 1.00 0.00 O ATOM 284 CB PRO A 21 15.382 10.341 -6.926 1.00 0.00 C ATOM 285 CG PRO A 21 16.133 10.933 -5.783 1.00 0.00 C ATOM 286 CD PRO A 21 15.107 11.629 -4.931 1.00 0.00 C ATOM 0 HA PRO A 21 13.195 10.058 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.895 9.467 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.280 11.054 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.653 10.161 -5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.890 11.635 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.371 11.592 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.009 12.681 -5.199 1.00 0.00 H new ATOM 294 N LYS A 22 14.507 8.242 -4.707 1.00 0.00 N ATOM 295 CA LYS A 22 14.554 6.885 -4.175 1.00 0.00 C ATOM 296 C LYS A 22 13.148 6.358 -3.904 1.00 0.00 C ATOM 297 O LYS A 22 12.885 5.165 -4.052 1.00 0.00 O ATOM 298 CB LYS A 22 15.380 6.849 -2.887 1.00 0.00 C ATOM 299 CG LYS A 22 16.857 6.582 -3.120 1.00 0.00 C ATOM 300 CD LYS A 22 17.490 5.875 -1.933 1.00 0.00 C ATOM 301 CE LYS A 22 17.194 4.383 -1.950 1.00 0.00 C ATOM 302 NZ LYS A 22 18.216 3.606 -1.195 1.00 0.00 N ATOM 0 H LYS A 22 14.885 8.953 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 22 15.026 6.245 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.269 7.801 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.979 6.078 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.981 5.973 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.374 7.524 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.568 6.033 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.116 6.311 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.209 4.203 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.159 4.031 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.979 2.594 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.152 3.757 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.232 3.924 -0.205 1.00 0.00 H new ATOM 316 N GLU A 23 12.250 7.255 -3.509 1.00 0.00 N ATOM 317 CA GLU A 23 10.872 6.878 -3.220 1.00 0.00 C ATOM 318 C GLU A 23 10.131 6.500 -4.499 1.00 0.00 C ATOM 319 O GLU A 23 10.656 6.652 -5.602 1.00 0.00 O ATOM 320 CB GLU A 23 10.144 8.024 -2.515 1.00 0.00 C ATOM 321 CG GLU A 23 10.335 8.032 -1.008 1.00 0.00 C ATOM 322 CD GLU A 23 9.850 9.317 -0.365 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.337 10.398 -0.756 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.982 9.241 0.531 1.00 0.00 O ATOM 0 H GLU A 23 12.452 8.247 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 23 10.890 6.009 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.496 8.972 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.079 7.958 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.800 7.188 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.391 7.892 -0.779 1.00 0.00 H new ATOM 331 N LEU A 24 8.907 6.006 -4.343 1.00 0.00 N ATOM 332 CA LEU A 24 8.092 5.605 -5.484 1.00 0.00 C ATOM 333 C LEU A 24 6.829 6.455 -5.577 1.00 0.00 C ATOM 334 O LEU A 24 6.266 6.863 -4.561 1.00 0.00 O ATOM 335 CB LEU A 24 7.719 4.126 -5.375 1.00 0.00 C ATOM 336 CG LEU A 24 8.692 3.138 -6.019 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.380 1.717 -5.578 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.640 3.251 -7.536 1.00 0.00 C ATOM 0 H LEU A 24 8.458 5.874 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 24 8.678 5.759 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.622 3.873 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.737 3.985 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 24 9.701 3.385 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.083 1.028 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.469 1.645 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.364 1.458 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.339 2.541 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.630 3.031 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.913 4.263 -7.835 1.00 0.00 H new ATOM 350 N THR A 25 6.387 6.718 -6.803 1.00 0.00 N ATOM 351 CA THR A 25 5.190 7.518 -7.029 1.00 0.00 C ATOM 352 C THR A 25 4.029 6.649 -7.501 1.00 0.00 C ATOM 353 O THR A 25 4.147 5.919 -8.486 1.00 0.00 O ATOM 354 CB THR A 25 5.443 8.626 -8.069 1.00 0.00 C ATOM 355 OG1 THR A 25 6.510 9.474 -7.631 1.00 0.00 O ATOM 356 CG2 THR A 25 4.188 9.455 -8.292 1.00 0.00 C ATOM 0 H THR A 25 6.841 6.388 -7.655 1.00 0.00 H new ATOM 0 HA THR A 25 4.932 7.978 -6.075 1.00 0.00 H new ATOM 0 HB THR A 25 5.719 8.153 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.666 10.175 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.391 10.231 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.386 8.811 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.886 9.918 -7.353 1.00 0.00 H new ATOM 364 N LEU A 26 2.908 6.733 -6.793 1.00 0.00 N ATOM 365 CA LEU A 26 1.724 5.955 -7.140 1.00 0.00 C ATOM 366 C LEU A 26 0.460 6.797 -7.005 1.00 0.00 C ATOM 367 O LEU A 26 0.488 7.888 -6.436 1.00 0.00 O ATOM 368 CB LEU A 26 1.624 4.717 -6.246 1.00 0.00 C ATOM 369 CG LEU A 26 2.880 3.851 -6.155 1.00 0.00 C ATOM 370 CD1 LEU A 26 2.809 2.933 -4.945 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.064 3.041 -7.431 1.00 0.00 C ATOM 0 H LEU A 26 2.794 7.332 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 26 1.818 5.639 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.357 5.041 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.805 4.096 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 26 3.742 4.507 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.712 2.324 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.726 3.532 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.938 2.284 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.963 2.431 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.199 2.395 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.162 3.717 -8.280 1.00 0.00 H new ATOM 383 N GLN A 27 -0.647 6.283 -7.531 1.00 0.00 N ATOM 384 CA GLN A 27 -1.921 6.988 -7.468 1.00 0.00 C ATOM 385 C GLN A 27 -2.952 6.181 -6.685 1.00 0.00 C ATOM 386 O GLN A 27 -2.747 5.000 -6.403 1.00 0.00 O ATOM 387 CB GLN A 27 -2.442 7.271 -8.878 1.00 0.00 C ATOM 388 CG GLN A 27 -2.645 6.018 -9.715 1.00 0.00 C ATOM 389 CD GLN A 27 -4.002 5.380 -9.490 1.00 0.00 C ATOM 390 OE1 GLN A 27 -4.172 4.555 -8.591 1.00 0.00 O ATOM 391 NE2 GLN A 27 -4.978 5.759 -10.306 1.00 0.00 N ATOM 0 H GLN A 27 -0.687 5.381 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.758 7.934 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.388 7.807 -8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.741 7.930 -9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.536 6.269 -10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.864 5.296 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.793 6.445 -11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.912 5.364 -10.201 1.00 0.00 H new ATOM 400 N LYS A 28 -4.060 6.825 -6.336 1.00 0.00 N ATOM 401 CA LYS A 28 -5.124 6.168 -5.587 1.00 0.00 C ATOM 402 C LYS A 28 -5.664 4.963 -6.351 1.00 0.00 C ATOM 403 O LYS A 28 -6.228 5.105 -7.435 1.00 0.00 O ATOM 404 CB LYS A 28 -6.259 7.154 -5.302 1.00 0.00 C ATOM 405 CG LYS A 28 -7.485 6.508 -4.681 1.00 0.00 C ATOM 406 CD LYS A 28 -8.654 7.476 -4.617 1.00 0.00 C ATOM 407 CE LYS A 28 -9.970 6.747 -4.391 1.00 0.00 C ATOM 408 NZ LYS A 28 -11.133 7.533 -4.890 1.00 0.00 N ATOM 0 H LYS A 28 -4.245 7.803 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.707 5.820 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.892 7.934 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.548 7.641 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.769 5.631 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.244 6.160 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.491 8.192 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.707 8.046 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.941 5.781 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.096 6.547 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.011 7.002 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.176 8.444 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.026 7.702 -5.911 1.00 0.00 H new ATOM 422 N GLY A 29 -5.488 3.777 -5.776 1.00 0.00 N ATOM 423 CA GLY A 29 -5.964 2.565 -6.417 1.00 0.00 C ATOM 424 C GLY A 29 -4.896 1.897 -7.260 1.00 0.00 C ATOM 425 O GLY A 29 -5.153 1.496 -8.396 1.00 0.00 O ATOM 0 H GLY A 29 -5.025 3.634 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.311 1.867 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.822 2.803 -7.045 1.00 0.00 H new ATOM 429 N ASP A 30 -3.695 1.778 -6.706 1.00 0.00 N ATOM 430 CA ASP A 30 -2.584 1.154 -7.415 1.00 0.00 C ATOM 431 C ASP A 30 -2.057 -0.053 -6.645 1.00 0.00 C ATOM 432 O ASP A 30 -1.992 -0.037 -5.416 1.00 0.00 O ATOM 433 CB ASP A 30 -1.458 2.166 -7.633 1.00 0.00 C ATOM 434 CG ASP A 30 -0.661 1.883 -8.891 1.00 0.00 C ATOM 435 OD1 ASP A 30 -1.047 2.390 -9.965 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.350 1.154 -8.802 1.00 0.00 O ATOM 0 H ASP A 30 -3.466 2.106 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.949 0.813 -8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.881 3.169 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.790 2.153 -6.772 1.00 0.00 H new ATOM 441 N ILE A 31 -1.684 -1.098 -7.377 1.00 0.00 N ATOM 442 CA ILE A 31 -1.163 -2.313 -6.763 1.00 0.00 C ATOM 443 C ILE A 31 0.356 -2.381 -6.881 1.00 0.00 C ATOM 444 O ILE A 31 0.925 -2.040 -7.919 1.00 0.00 O ATOM 445 CB ILE A 31 -1.774 -3.573 -7.403 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.297 -3.556 -7.262 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.192 -4.826 -6.766 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.771 -3.542 -5.826 1.00 0.00 C ATOM 0 H ILE A 31 -1.733 -1.127 -8.395 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.441 -2.279 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.526 -3.580 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.691 -2.679 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.710 -4.431 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.634 -5.708 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.112 -4.841 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.413 -4.828 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.861 -3.530 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.407 -4.433 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.388 -2.653 -5.325 1.00 0.00 H new ATOM 460 N VAL A 32 1.008 -2.826 -5.812 1.00 0.00 N ATOM 461 CA VAL A 32 2.461 -2.943 -5.796 1.00 0.00 C ATOM 462 C VAL A 32 2.905 -4.175 -5.017 1.00 0.00 C ATOM 463 O VAL A 32 2.275 -4.561 -4.033 1.00 0.00 O ATOM 464 CB VAL A 32 3.118 -1.694 -5.178 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.806 -0.459 -6.009 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.659 -1.509 -3.739 1.00 0.00 C ATOM 0 H VAL A 32 0.553 -3.112 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 32 2.782 -3.038 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 32 4.199 -1.836 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.279 0.413 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.188 -0.595 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.727 -0.308 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.132 -0.622 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.576 -1.388 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.939 -2.384 -3.152 1.00 0.00 H new ATOM 476 N TYR A 33 3.995 -4.790 -5.464 1.00 0.00 N ATOM 477 CA TYR A 33 4.523 -5.981 -4.810 1.00 0.00 C ATOM 478 C TYR A 33 5.664 -5.622 -3.862 1.00 0.00 C ATOM 479 O TYR A 33 6.530 -4.812 -4.194 1.00 0.00 O ATOM 480 CB TYR A 33 5.011 -6.988 -5.853 1.00 0.00 C ATOM 481 CG TYR A 33 3.921 -7.469 -6.785 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.150 -8.581 -6.467 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.664 -6.814 -7.983 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.154 -9.025 -7.316 1.00 0.00 C ATOM 485 CE2 TYR A 33 2.670 -7.250 -8.836 1.00 0.00 C ATOM 486 CZ TYR A 33 1.918 -8.356 -8.498 1.00 0.00 C ATOM 487 OH TYR A 33 0.927 -8.795 -9.347 1.00 0.00 O ATOM 0 H TYR A 33 4.530 -4.483 -6.277 1.00 0.00 H new ATOM 0 HA TYR A 33 3.718 -6.431 -4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.806 -6.532 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.446 -7.847 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.332 -9.107 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.252 -5.949 -8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.564 -9.891 -7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.482 -6.728 -9.763 1.00 0.00 H new ATOM 0 HH TYR A 33 0.890 -8.213 -10.135 1.00 0.00 H new ATOM 497 N ILE A 34 5.656 -6.231 -2.681 1.00 0.00 N ATOM 498 CA ILE A 34 6.690 -5.977 -1.685 1.00 0.00 C ATOM 499 C ILE A 34 7.775 -7.047 -1.735 1.00 0.00 C ATOM 500 O ILE A 34 7.536 -8.206 -1.391 1.00 0.00 O ATOM 501 CB ILE A 34 6.101 -5.925 -0.263 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.138 -4.743 -0.130 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.215 -5.826 0.768 1.00 0.00 C ATOM 504 CD1 ILE A 34 5.797 -3.399 -0.349 1.00 0.00 C ATOM 0 H ILE A 34 4.946 -6.903 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 34 7.127 -5.008 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 34 5.545 -6.845 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.327 -4.863 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.689 -4.761 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.783 -5.790 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.866 -6.696 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.795 -4.921 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.055 -2.608 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.589 -3.258 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.222 -3.361 -1.352 1.00 0.00 H new ATOM 516 N HIS A 35 8.970 -6.652 -2.163 1.00 0.00 N ATOM 517 CA HIS A 35 10.094 -7.577 -2.255 1.00 0.00 C ATOM 518 C HIS A 35 10.799 -7.711 -0.908 1.00 0.00 C ATOM 519 O HIS A 35 10.951 -8.813 -0.382 1.00 0.00 O ATOM 520 CB HIS A 35 11.086 -7.103 -3.318 1.00 0.00 C ATOM 521 CG HIS A 35 12.041 -8.167 -3.762 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.786 -9.014 -4.820 1.00 0.00 N ATOM 523 CD2 HIS A 35 13.258 -8.519 -3.285 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.804 -9.841 -4.974 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.711 -9.562 -4.056 1.00 0.00 N ATOM 0 H HIS A 35 9.185 -5.698 -2.452 1.00 0.00 H new ATOM 0 HA HIS A 35 9.706 -8.555 -2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.532 -6.739 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.652 -6.259 -2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.776 -8.065 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.881 -10.614 -5.724 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.603 -10.043 -3.938 1.00 0.00 H new ATOM 533 N LYS A 36 11.229 -6.581 -0.356 1.00 0.00 N ATOM 534 CA LYS A 36 11.917 -6.571 0.929 1.00 0.00 C ATOM 535 C LYS A 36 11.454 -5.398 1.786 1.00 0.00 C ATOM 536 O LYS A 36 10.878 -4.436 1.278 1.00 0.00 O ATOM 537 CB LYS A 36 13.431 -6.496 0.719 1.00 0.00 C ATOM 538 CG LYS A 36 13.913 -5.137 0.241 1.00 0.00 C ATOM 539 CD LYS A 36 14.255 -4.225 1.407 1.00 0.00 C ATOM 540 CE LYS A 36 15.712 -4.368 1.818 1.00 0.00 C ATOM 541 NZ LYS A 36 15.942 -5.596 2.629 1.00 0.00 N ATOM 0 H LYS A 36 11.113 -5.660 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 36 11.673 -7.497 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.932 -6.741 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.726 -7.253 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.791 -5.264 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.142 -4.671 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.054 -3.190 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.612 -4.460 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.339 -4.398 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.015 -3.492 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.810 -5.483 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.134 -5.748 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.043 -6.416 1.997 1.00 0.00 H new ATOM 555 N GLU A 37 11.709 -5.483 3.088 1.00 0.00 N ATOM 556 CA GLU A 37 11.318 -4.427 4.014 1.00 0.00 C ATOM 557 C GLU A 37 12.451 -3.423 4.204 1.00 0.00 C ATOM 558 O GLU A 37 13.542 -3.778 4.651 1.00 0.00 O ATOM 559 CB GLU A 37 10.919 -5.025 5.365 1.00 0.00 C ATOM 560 CG GLU A 37 9.482 -5.516 5.412 1.00 0.00 C ATOM 561 CD GLU A 37 9.120 -6.133 6.749 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.559 -7.271 7.017 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.398 -5.476 7.529 1.00 0.00 O ATOM 0 H GLU A 37 12.185 -6.272 3.525 1.00 0.00 H new ATOM 0 HA GLU A 37 10.461 -3.905 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.586 -5.856 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.063 -4.274 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.810 -4.682 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.327 -6.252 4.623 1.00 0.00 H new ATOM 570 N VAL A 38 12.184 -2.167 3.861 1.00 0.00 N ATOM 571 CA VAL A 38 13.180 -1.110 3.994 1.00 0.00 C ATOM 572 C VAL A 38 13.349 -0.694 5.451 1.00 0.00 C ATOM 573 O VAL A 38 14.393 -0.931 6.058 1.00 0.00 O ATOM 574 CB VAL A 38 12.801 0.127 3.159 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.960 1.111 3.105 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.376 -0.286 1.758 1.00 0.00 C ATOM 0 H VAL A 38 11.286 -1.856 3.489 1.00 0.00 H new ATOM 0 HA VAL A 38 14.122 -1.515 3.623 1.00 0.00 H new ATOM 0 HB VAL A 38 11.957 0.623 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.673 1.979 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.213 1.431 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.825 0.629 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.112 0.601 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.198 -0.806 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.513 -0.949 1.820 1.00 0.00 H new ATOM 586 N ASP A 39 12.314 -0.072 6.006 1.00 0.00 N ATOM 587 CA ASP A 39 12.346 0.376 7.393 1.00 0.00 C ATOM 588 C ASP A 39 11.172 -0.200 8.178 1.00 0.00 C ATOM 589 O ASP A 39 10.313 -0.882 7.619 1.00 0.00 O ATOM 590 CB ASP A 39 12.319 1.904 7.459 1.00 0.00 C ATOM 591 CG ASP A 39 12.714 2.432 8.823 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.747 1.980 9.358 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.989 3.298 9.358 1.00 0.00 O ATOM 0 H ASP A 39 11.443 0.133 5.516 1.00 0.00 H new ATOM 0 HA ASP A 39 13.272 0.017 7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.995 2.309 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.318 2.258 7.212 1.00 0.00 H new ATOM 598 N LYS A 40 11.142 0.077 9.477 1.00 0.00 N ATOM 599 CA LYS A 40 10.074 -0.413 10.340 1.00 0.00 C ATOM 600 C LYS A 40 8.711 0.051 9.836 1.00 0.00 C ATOM 601 O LYS A 40 7.704 -0.628 10.031 1.00 0.00 O ATOM 602 CB LYS A 40 10.290 0.069 11.777 1.00 0.00 C ATOM 603 CG LYS A 40 10.185 1.576 11.935 1.00 0.00 C ATOM 604 CD LYS A 40 10.069 1.977 13.396 1.00 0.00 C ATOM 605 CE LYS A 40 11.437 2.153 14.036 1.00 0.00 C ATOM 606 NZ LYS A 40 11.956 0.875 14.597 1.00 0.00 N ATOM 0 H LYS A 40 11.846 0.639 9.956 1.00 0.00 H new ATOM 0 HA LYS A 40 10.097 -1.503 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.555 -0.408 12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.274 -0.256 12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.062 2.051 11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.316 1.941 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.507 2.907 13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.507 1.217 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.138 2.535 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.374 2.898 14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.607 1.079 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.162 0.302 14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.462 0.350 13.855 1.00 0.00 H new ATOM 620 N ASN A 41 8.689 1.210 9.186 1.00 0.00 N ATOM 621 CA ASN A 41 7.449 1.763 8.653 1.00 0.00 C ATOM 622 C ASN A 41 7.472 1.778 7.128 1.00 0.00 C ATOM 623 O ASN A 41 6.450 1.551 6.480 1.00 0.00 O ATOM 624 CB ASN A 41 7.229 3.181 9.185 1.00 0.00 C ATOM 625 CG ASN A 41 5.759 3.530 9.310 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.152 4.055 8.377 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.178 3.238 10.469 1.00 0.00 N ATOM 0 H ASN A 41 9.515 1.784 9.016 1.00 0.00 H new ATOM 0 HA ASN A 41 6.626 1.127 8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.707 3.279 10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.714 3.895 8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.190 3.449 10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.720 2.803 11.216 1.00 0.00 H new ATOM 634 N TRP A 42 8.643 2.047 6.562 1.00 0.00 N ATOM 635 CA TRP A 42 8.799 2.091 5.112 1.00 0.00 C ATOM 636 C TRP A 42 9.055 0.697 4.550 1.00 0.00 C ATOM 637 O TRP A 42 9.726 -0.123 5.178 1.00 0.00 O ATOM 638 CB TRP A 42 9.946 3.027 4.730 1.00 0.00 C ATOM 639 CG TRP A 42 9.733 4.441 5.179 1.00 0.00 C ATOM 640 CD1 TRP A 42 9.876 4.929 6.447 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.337 5.549 4.363 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.592 6.273 6.467 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.260 6.678 5.202 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.042 5.697 3.005 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.899 7.935 4.725 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.683 6.946 2.534 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.615 8.052 3.392 1.00 0.00 C ATOM 0 H TRP A 42 9.498 2.238 7.084 1.00 0.00 H new ATOM 0 HA TRP A 42 7.872 2.471 4.683 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.872 2.651 5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.072 3.012 3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.169 4.345 7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.623 6.873 7.292 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.094 4.851 2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.845 8.788 5.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.451 7.072 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.333 9.015 2.993 1.00 0.00 H new ATOM 658 N LEU A 43 8.518 0.434 3.364 1.00 0.00 N ATOM 659 CA LEU A 43 8.689 -0.862 2.716 1.00 0.00 C ATOM 660 C LEU A 43 9.304 -0.701 1.330 1.00 0.00 C ATOM 661 O LEU A 43 9.397 0.409 0.807 1.00 0.00 O ATOM 662 CB LEU A 43 7.344 -1.583 2.609 1.00 0.00 C ATOM 663 CG LEU A 43 6.477 -1.575 3.869 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.049 -1.980 3.536 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.063 -2.499 4.926 1.00 0.00 C ATOM 0 H LEU A 43 7.960 1.101 2.831 1.00 0.00 H new ATOM 0 HA LEU A 43 9.366 -1.459 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.775 -1.130 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.531 -2.619 2.327 1.00 0.00 H new ATOM 0 HG LEU A 43 6.462 -0.562 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.446 -1.969 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.631 -1.278 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.045 -2.983 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.433 -2.480 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.109 -3.516 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.067 -2.164 5.186 1.00 0.00 H new ATOM 677 N GLU A 44 9.721 -1.817 0.739 1.00 0.00 N ATOM 678 CA GLU A 44 10.325 -1.798 -0.588 1.00 0.00 C ATOM 679 C GLU A 44 9.404 -2.452 -1.614 1.00 0.00 C ATOM 680 O GLU A 44 8.606 -3.326 -1.280 1.00 0.00 O ATOM 681 CB GLU A 44 11.676 -2.517 -0.567 1.00 0.00 C ATOM 682 CG GLU A 44 12.667 -1.979 -1.585 1.00 0.00 C ATOM 683 CD GLU A 44 14.108 -2.222 -1.180 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.672 -1.372 -0.459 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.672 -3.260 -1.584 1.00 0.00 O ATOM 0 H GLU A 44 9.652 -2.744 1.158 1.00 0.00 H new ATOM 0 HA GLU A 44 10.479 -0.758 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.109 -2.431 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.516 -3.579 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.481 -2.448 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.505 -0.909 -1.714 1.00 0.00 H new ATOM 692 N GLY A 45 9.522 -2.020 -2.866 1.00 0.00 N ATOM 693 CA GLY A 45 8.695 -2.572 -3.923 1.00 0.00 C ATOM 694 C GLY A 45 9.285 -2.345 -5.300 1.00 0.00 C ATOM 695 O GLY A 45 10.217 -1.557 -5.460 1.00 0.00 O ATOM 0 H GLY A 45 10.176 -1.297 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.567 -3.642 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.704 -2.121 -3.877 1.00 0.00 H new ATOM 699 N GLU A 46 8.742 -3.037 -6.297 1.00 0.00 N ATOM 700 CA GLU A 46 9.223 -2.908 -7.667 1.00 0.00 C ATOM 701 C GLU A 46 8.059 -2.890 -8.653 1.00 0.00 C ATOM 702 O GLU A 46 7.170 -3.740 -8.597 1.00 0.00 O ATOM 703 CB GLU A 46 10.176 -4.055 -8.007 1.00 0.00 C ATOM 704 CG GLU A 46 10.554 -4.118 -9.477 1.00 0.00 C ATOM 705 CD GLU A 46 11.176 -5.445 -9.864 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.420 -6.415 -10.083 1.00 0.00 O ATOM 707 OE2 GLU A 46 12.421 -5.515 -9.947 1.00 0.00 O ATOM 0 H GLU A 46 7.969 -3.692 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 46 9.760 -1.963 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.083 -3.951 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.712 -4.999 -7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.665 -3.947 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.254 -3.314 -9.703 1.00 0.00 H new ATOM 798 N GLY A 52 11.710 1.983 -6.192 1.00 0.00 N ATOM 799 CA GLY A 52 12.018 2.869 -5.085 1.00 0.00 C ATOM 800 C GLY A 52 11.461 2.367 -3.768 1.00 0.00 C ATOM 801 O GLY A 52 11.460 1.164 -3.505 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.099 2.978 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.613 3.859 -5.293 1.00 0.00 H new ATOM 805 N ILE A 53 10.987 3.290 -2.938 1.00 0.00 N ATOM 806 CA ILE A 53 10.425 2.934 -1.641 1.00 0.00 C ATOM 807 C ILE A 53 9.181 3.762 -1.335 1.00 0.00 C ATOM 808 O ILE A 53 8.959 4.813 -1.935 1.00 0.00 O ATOM 809 CB ILE A 53 11.451 3.131 -0.510 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.945 4.579 -0.486 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.618 2.171 -0.679 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.715 4.935 0.766 1.00 0.00 C ATOM 0 H ILE A 53 10.981 4.290 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 53 10.153 1.880 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 53 10.965 2.917 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.580 4.752 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.089 5.248 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.334 2.323 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.252 1.145 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.106 2.356 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.034 5.976 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.076 4.795 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.591 4.291 0.850 1.00 0.00 H new ATOM 824 N PHE A 54 8.374 3.281 -0.395 1.00 0.00 N ATOM 825 CA PHE A 54 7.152 3.977 -0.008 1.00 0.00 C ATOM 826 C PHE A 54 6.725 3.581 1.403 1.00 0.00 C ATOM 827 O PHE A 54 7.044 2.499 1.895 1.00 0.00 O ATOM 828 CB PHE A 54 6.028 3.668 -0.999 1.00 0.00 C ATOM 829 CG PHE A 54 5.862 2.202 -1.279 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.770 1.530 -2.083 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.800 1.495 -0.740 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.619 0.181 -2.343 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.644 0.146 -0.997 1.00 0.00 C ATOM 834 CZ PHE A 54 5.556 -0.512 -1.799 1.00 0.00 C ATOM 0 H PHE A 54 8.544 2.413 0.113 1.00 0.00 H new ATOM 0 HA PHE A 54 7.354 5.048 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.091 4.063 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.227 4.188 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.604 2.066 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.085 2.004 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.332 -0.331 -2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.810 -0.393 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.438 -1.567 -2.000 1.00 0.00 H new ATOM 844 N PRO A 55 5.986 4.480 2.071 1.00 0.00 N ATOM 845 CA PRO A 55 5.500 4.248 3.434 1.00 0.00 C ATOM 846 C PRO A 55 4.419 3.174 3.489 1.00 0.00 C ATOM 847 O PRO A 55 3.738 2.914 2.497 1.00 0.00 O ATOM 848 CB PRO A 55 4.924 5.607 3.840 1.00 0.00 C ATOM 849 CG PRO A 55 4.559 6.264 2.554 1.00 0.00 C ATOM 850 CD PRO A 55 5.569 5.791 1.546 1.00 0.00 C ATOM 0 HA PRO A 55 6.290 3.890 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.054 5.491 4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.655 6.197 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.548 5.993 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.582 7.350 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.133 5.705 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.411 6.479 1.467 1.00 0.00 H new ATOM 858 N ALA A 56 4.267 2.553 4.654 1.00 0.00 N ATOM 859 CA ALA A 56 3.267 1.508 4.838 1.00 0.00 C ATOM 860 C ALA A 56 1.886 2.107 5.081 1.00 0.00 C ATOM 861 O ALA A 56 0.924 1.773 4.392 1.00 0.00 O ATOM 862 CB ALA A 56 3.661 0.599 5.992 1.00 0.00 C ATOM 0 H ALA A 56 4.823 2.755 5.485 1.00 0.00 H new ATOM 0 HA ALA A 56 3.222 0.917 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.906 -0.177 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.624 0.136 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.736 1.185 6.908 1.00 0.00 H new ATOM 868 N ASN A 57 1.796 2.994 6.067 1.00 0.00 N ATOM 869 CA ASN A 57 0.531 3.639 6.402 1.00 0.00 C ATOM 870 C ASN A 57 -0.239 4.014 5.140 1.00 0.00 C ATOM 871 O ASN A 57 -1.397 3.632 4.970 1.00 0.00 O ATOM 872 CB ASN A 57 0.780 4.887 7.252 1.00 0.00 C ATOM 873 CG ASN A 57 1.518 5.969 6.487 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.732 5.893 6.298 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.785 6.984 6.044 1.00 0.00 N ATOM 0 H ASN A 57 2.583 3.282 6.648 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.069 2.932 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.174 5.280 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.357 4.613 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.226 7.742 5.523 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.219 7.005 6.224 1.00 0.00 H new ATOM 882 N TYR A 58 0.412 4.765 4.258 1.00 0.00 N ATOM 883 CA TYR A 58 -0.212 5.194 3.012 1.00 0.00 C ATOM 884 C TYR A 58 -1.080 4.084 2.427 1.00 0.00 C ATOM 885 O TYR A 58 -2.146 4.343 1.868 1.00 0.00 O ATOM 886 CB TYR A 58 0.856 5.608 1.999 1.00 0.00 C ATOM 887 CG TYR A 58 1.225 7.073 2.073 1.00 0.00 C ATOM 888 CD1 TYR A 58 2.049 7.551 3.084 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.750 7.978 1.132 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.388 8.889 3.157 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.085 9.316 1.196 1.00 0.00 C ATOM 892 CZ TYR A 58 1.904 9.767 2.210 1.00 0.00 C ATOM 893 OH TYR A 58 2.239 11.100 2.277 1.00 0.00 O ATOM 0 H TYR A 58 1.371 5.089 4.383 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.849 6.051 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.751 5.008 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.499 5.382 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.431 6.865 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.108 7.629 0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.028 9.245 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.708 10.006 0.456 1.00 0.00 H new ATOM 0 HH TYR A 58 1.817 11.581 1.535 1.00 0.00 H new ATOM 903 N VAL A 59 -0.617 2.846 2.561 1.00 0.00 N ATOM 904 CA VAL A 59 -1.350 1.695 2.048 1.00 0.00 C ATOM 905 C VAL A 59 -1.725 0.736 3.173 1.00 0.00 C ATOM 906 O VAL A 59 -1.310 0.915 4.318 1.00 0.00 O ATOM 907 CB VAL A 59 -0.530 0.932 0.990 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.148 1.856 -0.156 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.707 0.312 1.622 1.00 0.00 C ATOM 0 H VAL A 59 0.263 2.614 3.021 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.258 2.080 1.584 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.146 0.128 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.431 1.300 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.051 2.248 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.451 2.682 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.275 -0.223 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.328 1.097 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.406 -0.383 2.406 1.00 0.00 H new ATOM 919 N GLU A 60 -2.511 -0.282 2.838 1.00 0.00 N ATOM 920 CA GLU A 60 -2.942 -1.269 3.821 1.00 0.00 C ATOM 921 C GLU A 60 -3.275 -2.598 3.148 1.00 0.00 C ATOM 922 O GLU A 60 -3.733 -2.630 2.006 1.00 0.00 O ATOM 923 CB GLU A 60 -4.160 -0.756 4.592 1.00 0.00 C ATOM 924 CG GLU A 60 -4.809 -1.809 5.474 1.00 0.00 C ATOM 925 CD GLU A 60 -6.176 -1.386 5.977 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.158 -1.537 5.221 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.263 -0.904 7.126 1.00 0.00 O ATOM 0 H GLU A 60 -2.862 -0.445 1.894 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.121 -1.431 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.858 0.089 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.898 -0.383 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.904 -2.739 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.160 -2.015 6.325 1.00 0.00 H new ATOM 934 N VAL A 61 -3.041 -3.692 3.865 1.00 0.00 N ATOM 935 CA VAL A 61 -3.316 -5.024 3.338 1.00 0.00 C ATOM 936 C VAL A 61 -4.801 -5.201 3.039 1.00 0.00 C ATOM 937 O VAL A 61 -5.635 -5.176 3.945 1.00 0.00 O ATOM 938 CB VAL A 61 -2.868 -6.120 4.323 1.00 0.00 C ATOM 939 CG1 VAL A 61 -3.266 -7.495 3.809 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.367 -6.044 4.557 1.00 0.00 C ATOM 0 H VAL A 61 -2.662 -3.683 4.812 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.748 -5.122 2.413 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.371 -5.955 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.941 -8.257 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.349 -7.542 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.793 -7.673 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.068 -6.825 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.844 -6.183 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.112 -5.069 4.973 1.00 0.00 H new