USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=5 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+ -123:sc= -0.0948 (180deg=-1.41) USER MOD Single : A 17 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.0067 X(o=0.0067,f=-0.016) 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= 0 K(o=0,f=-0.59) 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= -0.143 K(o=-0.14,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.7!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.351 -8.514 -1.597 1.00 0.00 N ATOM 89 CA ALA A 9 -1.352 -7.244 -2.312 1.00 0.00 C ATOM 90 C ALA A 9 -1.856 -6.113 -1.422 1.00 0.00 C ATOM 91 O ALA A 9 -2.547 -6.351 -0.432 1.00 0.00 O ATOM 92 CB ALA A 9 -2.203 -7.347 -3.569 1.00 0.00 C ATOM 0 HA ALA A 9 -0.325 -7.016 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.195 -6.391 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.798 -8.122 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.227 -7.602 -3.295 1.00 0.00 H new ATOM 98 N ALA A 10 -1.505 -4.882 -1.780 1.00 0.00 N ATOM 99 CA ALA A 10 -1.923 -3.715 -1.014 1.00 0.00 C ATOM 100 C ALA A 10 -2.363 -2.583 -1.935 1.00 0.00 C ATOM 101 O ALA A 10 -1.788 -2.380 -3.004 1.00 0.00 O ATOM 102 CB ALA A 10 -0.795 -3.250 -0.104 1.00 0.00 C ATOM 0 H ALA A 10 -0.932 -4.668 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.777 -4.001 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.121 -2.378 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.530 -4.052 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.074 -2.987 -0.707 1.00 0.00 H new ATOM 108 N ARG A 11 -3.387 -1.848 -1.514 1.00 0.00 N ATOM 109 CA ARG A 11 -3.906 -0.737 -2.302 1.00 0.00 C ATOM 110 C ARG A 11 -3.506 0.601 -1.686 1.00 0.00 C ATOM 111 O ARG A 11 -3.434 0.737 -0.464 1.00 0.00 O ATOM 112 CB ARG A 11 -5.429 -0.826 -2.408 1.00 0.00 C ATOM 113 CG ARG A 11 -6.012 0.013 -3.534 1.00 0.00 C ATOM 114 CD ARG A 11 -7.434 -0.411 -3.867 1.00 0.00 C ATOM 115 NE ARG A 11 -7.465 -1.553 -4.777 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.516 -1.866 -5.527 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.615 -1.126 -5.477 1.00 0.00 N ATOM 118 NH2 ARG A 11 -8.468 -2.921 -6.331 1.00 0.00 N ATOM 0 H ARG A 11 -3.874 -2.002 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.475 -0.801 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.714 -1.867 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.870 -0.507 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.003 1.065 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.386 -0.082 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.961 -0.666 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.966 0.427 -4.318 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.635 -2.142 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.655 -0.314 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.420 -1.369 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.624 -3.492 -6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.275 -3.161 -6.907 1.00 0.00 H new ATOM 132 N LEU A 12 -3.247 1.585 -2.540 1.00 0.00 N ATOM 133 CA LEU A 12 -2.853 2.913 -2.080 1.00 0.00 C ATOM 134 C LEU A 12 -4.064 3.698 -1.583 1.00 0.00 C ATOM 135 O LEU A 12 -4.911 4.117 -2.372 1.00 0.00 O ATOM 136 CB LEU A 12 -2.161 3.680 -3.207 1.00 0.00 C ATOM 137 CG LEU A 12 -0.649 3.481 -3.325 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.062 4.063 -2.113 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.317 2.004 -3.482 1.00 0.00 C ATOM 0 H LEU A 12 -3.303 1.489 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.156 2.792 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.620 3.390 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.358 4.743 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.300 4.008 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.137 3.912 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.150 5.130 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.291 3.564 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.763 1.881 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.680 1.455 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.796 1.617 -4.381 1.00 0.00 H new ATOM 151 N LYS A 13 -4.137 3.895 -0.272 1.00 0.00 N ATOM 152 CA LYS A 13 -5.240 4.633 0.331 1.00 0.00 C ATOM 153 C LYS A 13 -5.534 5.909 -0.451 1.00 0.00 C ATOM 154 O LYS A 13 -6.673 6.374 -0.496 1.00 0.00 O ATOM 155 CB LYS A 13 -4.916 4.977 1.787 1.00 0.00 C ATOM 156 CG LYS A 13 -5.060 3.801 2.737 1.00 0.00 C ATOM 157 CD LYS A 13 -4.666 4.179 4.155 1.00 0.00 C ATOM 158 CE LYS A 13 -5.856 4.706 4.942 1.00 0.00 C ATOM 159 NZ LYS A 13 -6.066 6.164 4.720 1.00 0.00 N ATOM 0 H LYS A 13 -3.444 3.553 0.394 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.126 3.999 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.896 5.356 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.573 5.782 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.091 3.448 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.437 2.976 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.249 3.309 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.883 4.937 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.754 4.161 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.700 4.519 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.040 6.661 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.314 6.533 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.990 6.317 4.268 1.00 0.00 H new ATOM 173 N PHE A 14 -4.499 6.470 -1.068 1.00 0.00 N ATOM 174 CA PHE A 14 -4.646 7.693 -1.849 1.00 0.00 C ATOM 175 C PHE A 14 -3.474 7.868 -2.810 1.00 0.00 C ATOM 176 O PHE A 14 -2.539 7.068 -2.818 1.00 0.00 O ATOM 177 CB PHE A 14 -4.748 8.906 -0.923 1.00 0.00 C ATOM 178 CG PHE A 14 -5.961 8.885 -0.038 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.937 8.221 1.177 1.00 0.00 C ATOM 180 CD2 PHE A 14 -7.126 9.530 -0.423 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.052 8.200 1.994 1.00 0.00 C ATOM 182 CE2 PHE A 14 -8.244 9.512 0.390 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.208 8.846 1.599 1.00 0.00 C ATOM 0 H PHE A 14 -3.550 6.097 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.563 7.614 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.855 8.954 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.764 9.813 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.037 7.714 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.161 10.052 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.020 7.679 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.146 10.019 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.081 8.830 2.234 1.00 0.00 H new ATOM 193 N ASP A 15 -3.532 8.921 -3.618 1.00 0.00 N ATOM 194 CA ASP A 15 -2.475 9.204 -4.583 1.00 0.00 C ATOM 195 C ASP A 15 -1.220 9.713 -3.881 1.00 0.00 C ATOM 196 O ASP A 15 -1.215 10.805 -3.311 1.00 0.00 O ATOM 197 CB ASP A 15 -2.954 10.232 -5.609 1.00 0.00 C ATOM 198 CG ASP A 15 -4.418 10.060 -5.961 1.00 0.00 C ATOM 199 OD1 ASP A 15 -5.274 10.358 -5.101 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.709 9.629 -7.096 1.00 0.00 O ATOM 0 H ASP A 15 -4.299 9.593 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.229 8.276 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.794 11.236 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.353 10.145 -6.514 1.00 0.00 H new ATOM 205 N PHE A 16 -0.158 8.916 -3.925 1.00 0.00 N ATOM 206 CA PHE A 16 1.102 9.285 -3.292 1.00 0.00 C ATOM 207 C PHE A 16 2.067 9.885 -4.310 1.00 0.00 C ATOM 208 O PHE A 16 2.150 9.423 -5.448 1.00 0.00 O ATOM 209 CB PHE A 16 1.740 8.064 -2.626 1.00 0.00 C ATOM 210 CG PHE A 16 3.083 8.346 -2.016 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.201 9.206 -0.936 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.227 7.752 -2.523 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.436 9.468 -0.373 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.465 8.010 -1.965 1.00 0.00 C ATOM 215 CZ PHE A 16 5.569 8.869 -0.888 1.00 0.00 C ATOM 0 H PHE A 16 -0.145 8.010 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 16 0.891 10.036 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.070 7.691 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.845 7.270 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.318 9.677 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.151 7.079 -3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.515 10.140 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.349 7.541 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.535 9.072 -0.449 1.00 0.00 H new ATOM 225 N GLN A 17 2.793 10.917 -3.891 1.00 0.00 N ATOM 226 CA GLN A 17 3.752 11.581 -4.767 1.00 0.00 C ATOM 227 C GLN A 17 5.137 11.615 -4.131 1.00 0.00 C ATOM 228 O GLN A 17 5.367 12.331 -3.157 1.00 0.00 O ATOM 229 CB GLN A 17 3.286 13.004 -5.081 1.00 0.00 C ATOM 230 CG GLN A 17 4.007 13.633 -6.262 1.00 0.00 C ATOM 231 CD GLN A 17 3.819 15.136 -6.327 1.00 0.00 C ATOM 232 OE1 GLN A 17 3.322 15.668 -7.320 1.00 0.00 O ATOM 233 NE2 GLN A 17 4.215 15.829 -5.266 1.00 0.00 N ATOM 0 H GLN A 17 2.736 11.311 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 17 3.813 11.013 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.215 12.990 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.435 13.629 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.071 13.406 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.642 13.185 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.622 15.347 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.112 16.844 -5.252 1.00 0.00 H new ATOM 242 N ALA A 18 6.058 10.835 -4.689 1.00 0.00 N ATOM 243 CA ALA A 18 7.422 10.777 -4.177 1.00 0.00 C ATOM 244 C ALA A 18 8.067 12.159 -4.177 1.00 0.00 C ATOM 245 O ALA A 18 8.180 12.801 -5.221 1.00 0.00 O ATOM 246 CB ALA A 18 8.253 9.804 -4.999 1.00 0.00 C ATOM 0 H ALA A 18 5.884 10.235 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 18 7.383 10.423 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.269 9.771 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.810 8.810 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.277 10.133 -6.038 1.00 0.00 H new ATOM 252 N GLN A 19 8.488 12.611 -3.000 1.00 0.00 N ATOM 253 CA GLN A 19 9.121 13.917 -2.866 1.00 0.00 C ATOM 254 C GLN A 19 10.534 13.899 -3.439 1.00 0.00 C ATOM 255 O GLN A 19 10.972 14.863 -4.068 1.00 0.00 O ATOM 256 CB GLN A 19 9.159 14.340 -1.396 1.00 0.00 C ATOM 257 CG GLN A 19 9.839 15.680 -1.166 1.00 0.00 C ATOM 258 CD GLN A 19 9.109 16.828 -1.835 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.031 17.233 -1.397 1.00 0.00 O ATOM 260 NE2 GLN A 19 9.692 17.359 -2.903 1.00 0.00 N ATOM 0 H GLN A 19 8.402 12.092 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 19 8.530 14.639 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.139 14.389 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.679 13.575 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.904 15.871 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.860 15.634 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.585 16.992 -3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.247 18.134 -3.395 1.00 0.00 H new ATOM 269 N SER A 20 11.244 12.797 -3.217 1.00 0.00 N ATOM 270 CA SER A 20 12.609 12.656 -3.708 1.00 0.00 C ATOM 271 C SER A 20 12.666 11.684 -4.882 1.00 0.00 C ATOM 272 O SER A 20 11.760 10.880 -5.100 1.00 0.00 O ATOM 273 CB SER A 20 13.529 12.171 -2.585 1.00 0.00 C ATOM 274 OG SER A 20 14.087 13.264 -1.876 1.00 0.00 O ATOM 0 H SER A 20 10.896 11.989 -2.700 1.00 0.00 H new ATOM 0 HA SER A 20 12.949 13.633 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.968 11.537 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.328 11.559 -3.004 1.00 0.00 H new ATOM 0 HG SER A 20 14.669 12.928 -1.163 1.00 0.00 H new ATOM 280 N PRO A 21 13.758 11.759 -5.659 1.00 0.00 N ATOM 281 CA PRO A 21 13.961 10.894 -6.824 1.00 0.00 C ATOM 282 C PRO A 21 14.220 9.443 -6.432 1.00 0.00 C ATOM 283 O PRO A 21 14.436 8.586 -7.289 1.00 0.00 O ATOM 284 CB PRO A 21 15.196 11.493 -7.500 1.00 0.00 C ATOM 285 CG PRO A 21 15.930 12.185 -6.404 1.00 0.00 C ATOM 286 CD PRO A 21 14.877 12.694 -5.458 1.00 0.00 C ATOM 0 HA PRO A 21 13.080 10.862 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.810 10.719 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.916 12.190 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.612 11.501 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.533 13.005 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.227 12.686 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.590 13.720 -5.690 1.00 0.00 H new ATOM 294 N LYS A 22 14.196 9.174 -5.131 1.00 0.00 N ATOM 295 CA LYS A 22 14.427 7.827 -4.623 1.00 0.00 C ATOM 296 C LYS A 22 13.112 7.161 -4.230 1.00 0.00 C ATOM 297 O LYS A 22 12.990 5.937 -4.270 1.00 0.00 O ATOM 298 CB LYS A 22 15.370 7.868 -3.419 1.00 0.00 C ATOM 299 CG LYS A 22 15.295 6.628 -2.545 1.00 0.00 C ATOM 300 CD LYS A 22 15.850 5.407 -3.260 1.00 0.00 C ATOM 301 CE LYS A 22 16.391 4.383 -2.274 1.00 0.00 C ATOM 302 NZ LYS A 22 17.263 3.378 -2.943 1.00 0.00 N ATOM 0 H LYS A 22 14.019 9.872 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 22 14.888 7.240 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.393 7.991 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.135 8.744 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.853 6.797 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.259 6.444 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.067 4.952 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.644 5.712 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.956 4.893 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.560 3.875 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.612 2.697 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.717 2.874 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.070 3.860 -3.388 1.00 0.00 H new ATOM 316 N GLU A 23 12.131 7.975 -3.852 1.00 0.00 N ATOM 317 CA GLU A 23 10.826 7.463 -3.453 1.00 0.00 C ATOM 318 C GLU A 23 10.040 6.971 -4.665 1.00 0.00 C ATOM 319 O GLU A 23 10.497 7.085 -5.803 1.00 0.00 O ATOM 320 CB GLU A 23 10.030 8.547 -2.722 1.00 0.00 C ATOM 321 CG GLU A 23 10.370 8.661 -1.246 1.00 0.00 C ATOM 322 CD GLU A 23 9.797 9.912 -0.610 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.568 10.116 -0.704 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.576 10.689 -0.019 1.00 0.00 O ATOM 0 H GLU A 23 12.216 8.991 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 23 10.986 6.621 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.213 9.507 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.966 8.336 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.990 7.785 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.453 8.660 -1.126 1.00 0.00 H new ATOM 331 N LEU A 24 8.858 6.421 -4.413 1.00 0.00 N ATOM 332 CA LEU A 24 8.008 5.910 -5.482 1.00 0.00 C ATOM 333 C LEU A 24 6.774 6.788 -5.664 1.00 0.00 C ATOM 334 O LEU A 24 6.238 7.334 -4.699 1.00 0.00 O ATOM 335 CB LEU A 24 7.584 4.471 -5.180 1.00 0.00 C ATOM 336 CG LEU A 24 8.572 3.380 -5.593 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.081 2.015 -5.137 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.787 3.396 -7.099 1.00 0.00 C ATOM 0 H LEU A 24 8.466 6.317 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 24 8.583 5.926 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.404 4.384 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.634 4.281 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 24 9.528 3.580 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.797 1.251 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.981 2.008 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.113 1.806 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.493 2.613 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.837 3.222 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.185 4.365 -7.399 1.00 0.00 H new ATOM 350 N THR A 25 6.325 6.918 -6.909 1.00 0.00 N ATOM 351 CA THR A 25 5.154 7.728 -7.218 1.00 0.00 C ATOM 352 C THR A 25 3.985 6.858 -7.665 1.00 0.00 C ATOM 353 O THR A 25 3.992 6.311 -8.769 1.00 0.00 O ATOM 354 CB THR A 25 5.460 8.762 -8.319 1.00 0.00 C ATOM 355 OG1 THR A 25 6.622 9.521 -7.968 1.00 0.00 O ATOM 356 CG2 THR A 25 4.279 9.698 -8.525 1.00 0.00 C ATOM 0 H THR A 25 6.755 6.472 -7.719 1.00 0.00 H new ATOM 0 HA THR A 25 4.883 8.253 -6.302 1.00 0.00 H new ATOM 0 HB THR A 25 5.645 8.226 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.811 10.175 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.518 10.419 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.404 9.120 -8.820 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.068 10.227 -7.596 1.00 0.00 H new ATOM 364 N LEU A 26 2.983 6.732 -6.803 1.00 0.00 N ATOM 365 CA LEU A 26 1.805 5.928 -7.110 1.00 0.00 C ATOM 366 C LEU A 26 0.532 6.758 -6.987 1.00 0.00 C ATOM 367 O LEU A 26 0.543 7.848 -6.417 1.00 0.00 O ATOM 368 CB LEU A 26 1.732 4.719 -6.176 1.00 0.00 C ATOM 369 CG LEU A 26 3.019 3.906 -6.027 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.055 3.205 -4.678 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.145 2.896 -7.159 1.00 0.00 C ATOM 0 H LEU A 26 2.962 7.176 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 26 1.891 5.580 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.429 5.066 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.946 4.055 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 26 3.866 4.590 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.978 2.632 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.012 3.947 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.201 2.533 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.066 2.326 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.293 2.217 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.166 3.421 -8.114 1.00 0.00 H new ATOM 383 N GLN A 27 -0.565 6.232 -7.523 1.00 0.00 N ATOM 384 CA GLN A 27 -1.847 6.924 -7.472 1.00 0.00 C ATOM 385 C GLN A 27 -2.823 6.196 -6.553 1.00 0.00 C ATOM 386 O GLN A 27 -2.542 5.095 -6.079 1.00 0.00 O ATOM 387 CB GLN A 27 -2.443 7.044 -8.876 1.00 0.00 C ATOM 388 CG GLN A 27 -1.766 8.099 -9.736 1.00 0.00 C ATOM 389 CD GLN A 27 -2.574 8.454 -10.968 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.471 7.713 -11.371 1.00 0.00 O ATOM 391 NE2 GLN A 27 -2.261 9.594 -11.574 1.00 0.00 N ATOM 0 H GLN A 27 -0.591 5.329 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.676 7.923 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.371 6.078 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.504 7.281 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.604 8.998 -9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.784 7.738 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.510 10.178 -11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.772 9.885 -12.408 1.00 0.00 H new ATOM 400 N LYS A 28 -3.971 6.818 -6.306 1.00 0.00 N ATOM 401 CA LYS A 28 -4.990 6.229 -5.445 1.00 0.00 C ATOM 402 C LYS A 28 -5.580 4.974 -6.080 1.00 0.00 C ATOM 403 O LYS A 28 -6.058 5.006 -7.213 1.00 0.00 O ATOM 404 CB LYS A 28 -6.101 7.244 -5.168 1.00 0.00 C ATOM 405 CG LYS A 28 -7.237 6.688 -4.327 1.00 0.00 C ATOM 406 CD LYS A 28 -8.261 5.962 -5.183 1.00 0.00 C ATOM 407 CE LYS A 28 -9.584 5.798 -4.451 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.506 4.876 -5.171 1.00 0.00 N ATOM 0 H LYS A 28 -4.219 7.730 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.518 5.950 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.673 8.108 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.503 7.599 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.836 6.004 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.723 7.501 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.422 6.516 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.874 4.982 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.399 5.415 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.060 6.772 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.396 4.791 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.703 5.253 -6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.063 3.939 -5.257 1.00 0.00 H new ATOM 422 N GLY A 29 -5.545 3.869 -5.340 1.00 0.00 N ATOM 423 CA GLY A 29 -6.081 2.620 -5.847 1.00 0.00 C ATOM 424 C GLY A 29 -5.106 1.897 -6.756 1.00 0.00 C ATOM 425 O GLY A 29 -5.490 1.384 -7.807 1.00 0.00 O ATOM 0 H GLY A 29 -5.155 3.817 -4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.340 1.973 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.003 2.819 -6.393 1.00 0.00 H new ATOM 429 N ASP A 30 -3.841 1.858 -6.352 1.00 0.00 N ATOM 430 CA ASP A 30 -2.807 1.193 -7.137 1.00 0.00 C ATOM 431 C ASP A 30 -2.243 -0.009 -6.386 1.00 0.00 C ATOM 432 O ASP A 30 -2.166 -0.005 -5.157 1.00 0.00 O ATOM 433 CB ASP A 30 -1.683 2.174 -7.474 1.00 0.00 C ATOM 434 CG ASP A 30 -2.053 3.112 -8.606 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.746 4.117 -8.341 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.651 2.842 -9.757 1.00 0.00 O ATOM 0 H ASP A 30 -3.507 2.279 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.260 0.839 -8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.437 2.759 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.787 1.616 -7.747 1.00 0.00 H new ATOM 441 N ILE A 31 -1.850 -1.035 -7.133 1.00 0.00 N ATOM 442 CA ILE A 31 -1.292 -2.243 -6.537 1.00 0.00 C ATOM 443 C ILE A 31 0.214 -2.322 -6.762 1.00 0.00 C ATOM 444 O ILE A 31 0.694 -2.161 -7.885 1.00 0.00 O ATOM 445 CB ILE A 31 -1.953 -3.510 -7.111 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.472 -3.442 -6.939 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.393 -4.752 -6.435 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.921 -3.522 -5.496 1.00 0.00 C ATOM 0 H ILE A 31 -1.907 -1.054 -8.151 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.494 -2.190 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.729 -3.568 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.837 -2.512 -7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.930 -4.257 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.870 -5.639 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.318 -4.805 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.590 -4.703 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.009 -3.468 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.586 -4.464 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.492 -2.692 -4.935 1.00 0.00 H new ATOM 460 N VAL A 32 0.955 -2.573 -5.688 1.00 0.00 N ATOM 461 CA VAL A 32 2.407 -2.677 -5.768 1.00 0.00 C ATOM 462 C VAL A 32 2.898 -3.991 -5.169 1.00 0.00 C ATOM 463 O VAL A 32 2.234 -4.583 -4.318 1.00 0.00 O ATOM 464 CB VAL A 32 3.095 -1.506 -5.042 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.748 -0.185 -5.712 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.703 -1.487 -3.572 1.00 0.00 C ATOM 0 H VAL A 32 0.574 -2.708 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 32 2.669 -2.643 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 32 4.174 -1.645 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.243 0.631 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.083 -0.204 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.669 -0.034 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.198 -0.653 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.623 -1.372 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.007 -2.422 -3.102 1.00 0.00 H new ATOM 476 N TYR A 33 4.064 -4.440 -5.619 1.00 0.00 N ATOM 477 CA TYR A 33 4.643 -5.685 -5.129 1.00 0.00 C ATOM 478 C TYR A 33 5.763 -5.409 -4.129 1.00 0.00 C ATOM 479 O TYR A 33 6.764 -4.774 -4.462 1.00 0.00 O ATOM 480 CB TYR A 33 5.180 -6.517 -6.295 1.00 0.00 C ATOM 481 CG TYR A 33 4.130 -6.861 -7.327 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.927 -7.448 -6.953 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.340 -6.601 -8.675 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.964 -7.765 -7.892 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.383 -6.914 -9.621 1.00 0.00 C ATOM 486 CZ TYR A 33 2.197 -7.496 -9.224 1.00 0.00 C ATOM 487 OH TYR A 33 1.241 -7.810 -10.163 1.00 0.00 O ATOM 0 H TYR A 33 4.627 -3.961 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 33 3.857 -6.246 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.988 -5.969 -6.780 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.610 -7.439 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.742 -7.660 -5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.268 -6.146 -8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.034 -8.221 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.562 -6.704 -10.665 1.00 0.00 H new ATOM 0 HH TYR A 33 1.561 -7.555 -11.054 1.00 0.00 H new ATOM 497 N ILE A 34 5.585 -5.891 -2.904 1.00 0.00 N ATOM 498 CA ILE A 34 6.580 -5.698 -1.856 1.00 0.00 C ATOM 499 C ILE A 34 7.557 -6.868 -1.803 1.00 0.00 C ATOM 500 O ILE A 34 7.191 -7.979 -1.419 1.00 0.00 O ATOM 501 CB ILE A 34 5.918 -5.534 -0.475 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.977 -4.327 -0.477 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.978 -5.383 0.605 1.00 0.00 C ATOM 504 CD1 ILE A 34 4.019 -4.307 0.693 1.00 0.00 C ATOM 0 H ILE A 34 4.762 -6.418 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 34 7.123 -4.785 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 34 5.332 -6.428 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.571 -3.413 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.405 -4.324 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.495 -5.268 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.613 -6.269 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.587 -4.504 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.383 -3.424 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.399 -5.203 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.583 -4.279 1.625 1.00 0.00 H new ATOM 516 N HIS A 35 8.802 -6.610 -2.190 1.00 0.00 N ATOM 517 CA HIS A 35 9.833 -7.641 -2.184 1.00 0.00 C ATOM 518 C HIS A 35 10.481 -7.754 -0.808 1.00 0.00 C ATOM 519 O HIS A 35 10.582 -8.844 -0.244 1.00 0.00 O ATOM 520 CB HIS A 35 10.898 -7.333 -3.238 1.00 0.00 C ATOM 521 CG HIS A 35 12.084 -8.245 -3.175 1.00 0.00 C ATOM 522 ND1 HIS A 35 13.170 -8.012 -2.357 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.351 -9.397 -3.832 1.00 0.00 C ATOM 524 CE1 HIS A 35 14.054 -8.980 -2.516 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.581 -9.834 -3.406 1.00 0.00 N ATOM 0 H HIS A 35 9.121 -5.696 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 35 9.360 -8.594 -2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.448 -7.403 -4.228 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.234 -6.304 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.715 -9.883 -4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.002 -9.060 -2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.053 -10.680 -3.725 1.00 0.00 H new ATOM 533 N LYS A 36 10.920 -6.620 -0.271 1.00 0.00 N ATOM 534 CA LYS A 36 11.558 -6.591 1.040 1.00 0.00 C ATOM 535 C LYS A 36 11.165 -5.333 1.808 1.00 0.00 C ATOM 536 O LYS A 36 10.916 -4.285 1.213 1.00 0.00 O ATOM 537 CB LYS A 36 13.080 -6.656 0.891 1.00 0.00 C ATOM 538 CG LYS A 36 13.691 -5.381 0.335 1.00 0.00 C ATOM 539 CD LYS A 36 15.210 -5.433 0.364 1.00 0.00 C ATOM 540 CE LYS A 36 15.822 -4.249 -0.370 1.00 0.00 C ATOM 541 NZ LYS A 36 17.207 -4.540 -0.833 1.00 0.00 N ATOM 0 H LYS A 36 10.845 -5.709 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 36 11.217 -7.460 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.523 -6.867 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.337 -7.488 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.350 -5.230 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.344 -4.526 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.555 -5.440 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.552 -6.362 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.199 -3.991 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.834 -3.380 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.589 -3.709 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.808 -4.761 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.193 -5.353 -1.481 1.00 0.00 H new ATOM 555 N GLU A 37 11.114 -5.444 3.132 1.00 0.00 N ATOM 556 CA GLU A 37 10.752 -4.315 3.979 1.00 0.00 C ATOM 557 C GLU A 37 11.980 -3.476 4.322 1.00 0.00 C ATOM 558 O GLU A 37 12.922 -3.961 4.948 1.00 0.00 O ATOM 559 CB GLU A 37 10.082 -4.807 5.264 1.00 0.00 C ATOM 560 CG GLU A 37 8.801 -5.586 5.023 1.00 0.00 C ATOM 561 CD GLU A 37 7.932 -5.678 6.262 1.00 0.00 C ATOM 562 OE1 GLU A 37 8.465 -6.024 7.337 1.00 0.00 O ATOM 563 OE2 GLU A 37 6.718 -5.404 6.156 1.00 0.00 O ATOM 0 H GLU A 37 11.319 -6.304 3.640 1.00 0.00 H new ATOM 0 HA GLU A 37 10.049 -3.691 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.783 -5.438 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.862 -3.950 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.236 -5.110 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.050 -6.591 4.683 1.00 0.00 H new ATOM 570 N VAL A 38 11.962 -2.214 3.906 1.00 0.00 N ATOM 571 CA VAL A 38 13.072 -1.306 4.168 1.00 0.00 C ATOM 572 C VAL A 38 13.196 -1.005 5.658 1.00 0.00 C ATOM 573 O VAL A 38 14.171 -1.394 6.301 1.00 0.00 O ATOM 574 CB VAL A 38 12.908 0.019 3.400 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.091 0.938 3.662 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.749 -0.246 1.910 1.00 0.00 C ATOM 0 H VAL A 38 11.190 -1.797 3.386 1.00 0.00 H new ATOM 0 HA VAL A 38 13.977 -1.806 3.824 1.00 0.00 H new ATOM 0 HB VAL A 38 12.006 0.516 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.957 1.869 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.155 1.153 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.010 0.451 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.634 0.701 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.632 -0.765 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.867 -0.864 1.742 1.00 0.00 H new ATOM 586 N ASP A 39 12.202 -0.311 6.200 1.00 0.00 N ATOM 587 CA ASP A 39 12.198 0.041 7.615 1.00 0.00 C ATOM 588 C ASP A 39 10.954 -0.507 8.308 1.00 0.00 C ATOM 589 O ASP A 39 10.093 -1.116 7.672 1.00 0.00 O ATOM 590 CB ASP A 39 12.264 1.560 7.784 1.00 0.00 C ATOM 591 CG ASP A 39 12.839 1.968 9.126 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.058 1.787 9.329 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.071 2.468 9.975 1.00 0.00 O ATOM 0 H ASP A 39 11.388 0.019 5.681 1.00 0.00 H new ATOM 0 HA ASP A 39 13.077 -0.407 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.873 1.985 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.263 1.978 7.678 1.00 0.00 H new ATOM 598 N LYS A 40 10.866 -0.286 9.615 1.00 0.00 N ATOM 599 CA LYS A 40 9.728 -0.757 10.396 1.00 0.00 C ATOM 600 C LYS A 40 8.415 -0.271 9.791 1.00 0.00 C ATOM 601 O LYS A 40 7.391 -0.947 9.881 1.00 0.00 O ATOM 602 CB LYS A 40 9.844 -0.277 11.844 1.00 0.00 C ATOM 603 CG LYS A 40 11.053 -0.834 12.575 1.00 0.00 C ATOM 604 CD LYS A 40 11.556 0.130 13.636 1.00 0.00 C ATOM 605 CE LYS A 40 10.778 -0.016 14.936 1.00 0.00 C ATOM 606 NZ LYS A 40 10.897 1.197 15.792 1.00 0.00 N ATOM 0 H LYS A 40 11.569 0.217 10.156 1.00 0.00 H new ATOM 0 HA LYS A 40 9.733 -1.847 10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.894 0.812 11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.941 -0.560 12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.792 -1.785 13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.850 -1.037 11.860 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.615 -0.052 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.468 1.153 13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.727 -0.201 14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.145 -0.884 15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.354 1.059 16.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.897 1.359 16.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.524 2.021 15.280 1.00 0.00 H new ATOM 620 N ASN A 41 8.453 0.905 9.173 1.00 0.00 N ATOM 621 CA ASN A 41 7.265 1.481 8.553 1.00 0.00 C ATOM 622 C ASN A 41 7.437 1.583 7.040 1.00 0.00 C ATOM 623 O ASN A 41 6.482 1.407 6.284 1.00 0.00 O ATOM 624 CB ASN A 41 6.978 2.865 9.139 1.00 0.00 C ATOM 625 CG ASN A 41 6.068 2.802 10.351 1.00 0.00 C ATOM 626 OD1 ASN A 41 6.463 2.323 11.414 1.00 0.00 O ATOM 627 ND2 ASN A 41 4.841 3.287 10.195 1.00 0.00 N ATOM 0 H ASN A 41 9.293 1.477 9.088 1.00 0.00 H new ATOM 0 HA ASN A 41 6.421 0.823 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.918 3.340 9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.518 3.492 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.184 3.272 10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.556 3.675 9.296 1.00 0.00 H new ATOM 634 N TRP A 42 8.660 1.868 6.608 1.00 0.00 N ATOM 635 CA TRP A 42 8.957 1.992 5.185 1.00 0.00 C ATOM 636 C TRP A 42 9.098 0.620 4.536 1.00 0.00 C ATOM 637 O TRP A 42 9.659 -0.303 5.128 1.00 0.00 O ATOM 638 CB TRP A 42 10.239 2.801 4.980 1.00 0.00 C ATOM 639 CG TRP A 42 10.093 4.248 5.342 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.383 4.825 6.545 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.618 5.300 4.494 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.117 6.173 6.496 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.648 6.489 5.249 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.174 5.353 3.171 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.249 7.714 4.722 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.777 6.570 2.650 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.818 7.738 3.424 1.00 0.00 C ATOM 0 H TRP A 42 9.461 2.017 7.221 1.00 0.00 H new ATOM 0 HA TRP A 42 8.126 2.513 4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.037 2.363 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.546 2.724 3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.765 4.300 7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.248 6.831 7.264 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.141 4.459 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.279 8.615 5.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.429 6.622 1.629 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.503 8.674 2.987 1.00 0.00 H new ATOM 658 N LEU A 43 8.587 0.492 3.317 1.00 0.00 N ATOM 659 CA LEU A 43 8.656 -0.769 2.587 1.00 0.00 C ATOM 660 C LEU A 43 9.251 -0.562 1.197 1.00 0.00 C ATOM 661 O LEU A 43 9.323 0.563 0.705 1.00 0.00 O ATOM 662 CB LEU A 43 7.263 -1.391 2.470 1.00 0.00 C ATOM 663 CG LEU A 43 6.493 -1.564 3.780 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.052 -1.964 3.503 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.174 -2.596 4.667 1.00 0.00 C ATOM 0 H LEU A 43 8.120 1.246 2.813 1.00 0.00 H new ATOM 0 HA LEU A 43 9.304 -1.447 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.666 -0.773 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.362 -2.369 1.998 1.00 0.00 H new ATOM 0 HG LEU A 43 6.489 -0.609 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.520 -2.083 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.568 -1.190 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.035 -2.907 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.612 -2.706 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.210 -3.554 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.188 -2.268 4.894 1.00 0.00 H new ATOM 677 N GLU A 44 9.674 -1.656 0.571 1.00 0.00 N ATOM 678 CA GLU A 44 10.261 -1.594 -0.762 1.00 0.00 C ATOM 679 C GLU A 44 9.422 -2.382 -1.764 1.00 0.00 C ATOM 680 O GLU A 44 8.879 -3.438 -1.440 1.00 0.00 O ATOM 681 CB GLU A 44 11.691 -2.136 -0.740 1.00 0.00 C ATOM 682 CG GLU A 44 12.600 -1.499 -1.777 1.00 0.00 C ATOM 683 CD GLU A 44 14.071 -1.709 -1.472 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.432 -1.724 -0.277 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.860 -1.859 -2.428 1.00 0.00 O ATOM 0 H GLU A 44 9.621 -2.595 0.966 1.00 0.00 H new ATOM 0 HA GLU A 44 10.281 -0.550 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.116 -1.976 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.665 -3.213 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.373 -1.916 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.393 -0.430 -1.829 1.00 0.00 H new ATOM 692 N GLY A 45 9.320 -1.860 -2.982 1.00 0.00 N ATOM 693 CA GLY A 45 8.546 -2.527 -4.013 1.00 0.00 C ATOM 694 C GLY A 45 8.848 -1.996 -5.400 1.00 0.00 C ATOM 695 O GLY A 45 9.535 -0.986 -5.548 1.00 0.00 O ATOM 0 H GLY A 45 9.759 -0.987 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.753 -3.597 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.484 -2.403 -3.803 1.00 0.00 H new ATOM 699 N GLU A 46 8.334 -2.679 -6.418 1.00 0.00 N ATOM 700 CA GLU A 46 8.555 -2.270 -7.800 1.00 0.00 C ATOM 701 C GLU A 46 7.229 -2.075 -8.529 1.00 0.00 C ATOM 702 O GLU A 46 6.256 -2.784 -8.271 1.00 0.00 O ATOM 703 CB GLU A 46 9.405 -3.310 -8.534 1.00 0.00 C ATOM 704 CG GLU A 46 9.895 -2.846 -9.895 1.00 0.00 C ATOM 705 CD GLU A 46 10.951 -3.765 -10.479 1.00 0.00 C ATOM 706 OE1 GLU A 46 12.120 -3.672 -10.050 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.608 -4.576 -11.364 1.00 0.00 O ATOM 0 H GLU A 46 7.762 -3.517 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 46 9.087 -1.319 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.265 -3.565 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.820 -4.221 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.050 -2.788 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.304 -1.839 -9.806 1.00 0.00 H new ATOM 798 N GLY A 52 12.259 1.881 -5.969 1.00 0.00 N ATOM 799 CA GLY A 52 12.184 2.986 -5.031 1.00 0.00 C ATOM 800 C GLY A 52 11.684 2.556 -3.666 1.00 0.00 C ATOM 801 O GLY A 52 11.797 1.386 -3.298 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.171 3.438 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.522 3.754 -5.431 1.00 0.00 H new ATOM 805 N ILE A 53 11.132 3.502 -2.915 1.00 0.00 N ATOM 806 CA ILE A 53 10.614 3.213 -1.583 1.00 0.00 C ATOM 807 C ILE A 53 9.302 3.950 -1.332 1.00 0.00 C ATOM 808 O ILE A 53 9.008 4.955 -1.980 1.00 0.00 O ATOM 809 CB ILE A 53 11.626 3.602 -0.489 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.113 5.037 -0.701 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.799 2.633 -0.485 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.822 5.618 0.502 1.00 0.00 C ATOM 0 H ILE A 53 11.032 4.475 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 53 10.439 2.138 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 53 11.131 3.547 0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.788 5.060 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.260 5.669 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.506 2.921 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.436 1.624 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.296 2.660 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.140 6.637 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.143 5.627 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.695 5.009 0.739 1.00 0.00 H new ATOM 824 N PHE A 54 8.518 3.446 -0.385 1.00 0.00 N ATOM 825 CA PHE A 54 7.238 4.056 -0.047 1.00 0.00 C ATOM 826 C PHE A 54 6.812 3.679 1.369 1.00 0.00 C ATOM 827 O PHE A 54 7.196 2.638 1.903 1.00 0.00 O ATOM 828 CB PHE A 54 6.163 3.625 -1.047 1.00 0.00 C ATOM 829 CG PHE A 54 6.023 2.135 -1.171 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.922 1.402 -1.929 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.993 1.466 -0.530 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.796 0.031 -2.046 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.861 0.095 -0.642 1.00 0.00 C ATOM 834 CZ PHE A 54 5.765 -0.623 -1.401 1.00 0.00 C ATOM 0 H PHE A 54 8.747 2.616 0.162 1.00 0.00 H new ATOM 0 HA PHE A 54 7.356 5.138 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.205 4.048 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.400 4.042 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.731 1.908 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.284 2.023 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.503 -0.528 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.053 -0.414 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.665 -1.695 -1.490 1.00 0.00 H new ATOM 844 N PRO A 55 6.000 4.545 1.993 1.00 0.00 N ATOM 845 CA PRO A 55 5.504 4.324 3.355 1.00 0.00 C ATOM 846 C PRO A 55 4.501 3.179 3.428 1.00 0.00 C ATOM 847 O PRO A 55 3.758 2.930 2.479 1.00 0.00 O ATOM 848 CB PRO A 55 4.827 5.652 3.705 1.00 0.00 C ATOM 849 CG PRO A 55 4.442 6.239 2.391 1.00 0.00 C ATOM 850 CD PRO A 55 5.503 5.805 1.417 1.00 0.00 C ATOM 0 HA PRO A 55 6.304 4.044 4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.955 5.496 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.504 6.310 4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.459 5.887 2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.387 7.326 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.094 5.656 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.296 6.547 1.330 1.00 0.00 H new ATOM 858 N ALA A 56 4.484 2.485 4.561 1.00 0.00 N ATOM 859 CA ALA A 56 3.569 1.367 4.759 1.00 0.00 C ATOM 860 C ALA A 56 2.152 1.859 5.033 1.00 0.00 C ATOM 861 O ALA A 56 1.207 1.473 4.347 1.00 0.00 O ATOM 862 CB ALA A 56 4.053 0.484 5.899 1.00 0.00 C ATOM 0 H ALA A 56 5.093 2.677 5.356 1.00 0.00 H new ATOM 0 HA ALA A 56 3.550 0.779 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.360 -0.346 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.044 0.095 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.103 1.070 6.817 1.00 0.00 H new ATOM 868 N ASN A 57 2.012 2.714 6.041 1.00 0.00 N ATOM 869 CA ASN A 57 0.709 3.258 6.407 1.00 0.00 C ATOM 870 C ASN A 57 -0.097 3.621 5.164 1.00 0.00 C ATOM 871 O ASN A 57 -1.214 3.138 4.973 1.00 0.00 O ATOM 872 CB ASN A 57 0.880 4.491 7.296 1.00 0.00 C ATOM 873 CG ASN A 57 1.884 5.477 6.731 1.00 0.00 C ATOM 874 OD1 ASN A 57 1.527 6.374 5.966 1.00 0.00 O ATOM 875 ND2 ASN A 57 3.147 5.315 7.106 1.00 0.00 N ATOM 0 H ASN A 57 2.785 3.045 6.619 1.00 0.00 H new ATOM 0 HA ASN A 57 0.165 2.492 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.084 4.986 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.202 4.178 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.867 5.948 6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.397 4.558 7.742 1.00 0.00 H new ATOM 882 N TYR A 58 0.476 4.473 4.322 1.00 0.00 N ATOM 883 CA TYR A 58 -0.189 4.902 3.097 1.00 0.00 C ATOM 884 C TYR A 58 -1.028 3.772 2.508 1.00 0.00 C ATOM 885 O TYR A 58 -2.099 4.005 1.947 1.00 0.00 O ATOM 886 CB TYR A 58 0.841 5.376 2.071 1.00 0.00 C ATOM 887 CG TYR A 58 1.157 6.851 2.167 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.987 7.340 3.168 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.625 7.757 1.257 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.278 8.688 3.261 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.911 9.105 1.341 1.00 0.00 C ATOM 892 CZ TYR A 58 1.738 9.566 2.344 1.00 0.00 C ATOM 893 OH TYR A 58 2.025 10.909 2.432 1.00 0.00 O ATOM 0 H TYR A 58 1.400 4.881 4.465 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.852 5.731 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.761 4.807 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.471 5.157 1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.412 6.655 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.023 7.400 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.924 9.052 4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.489 9.795 0.625 1.00 0.00 H new ATOM 0 HH TYR A 58 1.567 11.389 1.711 1.00 0.00 H new ATOM 903 N VAL A 59 -0.533 2.545 2.641 1.00 0.00 N ATOM 904 CA VAL A 59 -1.236 1.377 2.124 1.00 0.00 C ATOM 905 C VAL A 59 -1.590 0.408 3.246 1.00 0.00 C ATOM 906 O VAL A 59 -0.767 0.121 4.114 1.00 0.00 O ATOM 907 CB VAL A 59 -0.393 0.637 1.068 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.212 1.499 -0.172 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.954 0.234 1.649 1.00 0.00 C ATOM 0 H VAL A 59 0.352 2.335 3.102 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.152 1.739 1.658 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.923 -0.270 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.386 0.959 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.188 1.732 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.295 2.425 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.536 -0.288 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.493 1.125 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.799 -0.425 2.503 1.00 0.00 H new ATOM 919 N GLU A 60 -2.821 -0.093 3.221 1.00 0.00 N ATOM 920 CA GLU A 60 -3.284 -1.031 4.237 1.00 0.00 C ATOM 921 C GLU A 60 -3.675 -2.365 3.609 1.00 0.00 C ATOM 922 O GLU A 60 -4.440 -2.410 2.646 1.00 0.00 O ATOM 923 CB GLU A 60 -4.475 -0.445 4.999 1.00 0.00 C ATOM 924 CG GLU A 60 -4.587 -0.942 6.430 1.00 0.00 C ATOM 925 CD GLU A 60 -3.550 -0.322 7.346 1.00 0.00 C ATOM 926 OE1 GLU A 60 -2.426 -0.052 6.874 1.00 0.00 O ATOM 927 OE2 GLU A 60 -3.863 -0.107 8.536 1.00 0.00 O ATOM 0 H GLU A 60 -3.515 0.135 2.509 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.465 -1.204 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.391 0.642 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.393 -0.690 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.583 -0.718 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.477 -2.026 6.444 1.00 0.00 H new ATOM 934 N VAL A 61 -3.143 -3.451 4.162 1.00 0.00 N ATOM 935 CA VAL A 61 -3.436 -4.787 3.657 1.00 0.00 C ATOM 936 C VAL A 61 -4.937 -5.052 3.641 1.00 0.00 C ATOM 937 O VAL A 61 -5.552 -5.267 4.687 1.00 0.00 O ATOM 938 CB VAL A 61 -2.743 -5.871 4.503 1.00 0.00 C ATOM 939 CG1 VAL A 61 -3.089 -7.258 3.983 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.237 -5.658 4.513 1.00 0.00 C ATOM 0 H VAL A 61 -2.507 -3.431 4.959 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.052 -4.831 2.638 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.105 -5.792 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.590 -8.010 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.168 -7.407 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.758 -7.352 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.764 -6.433 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.856 -5.708 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.011 -4.680 4.937 1.00 0.00 H new