USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 454 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 10 MET CE :methyl 169:sc= 0 (180deg=-0.0879) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -174:sc= 1.11 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -162:sc= 0.261 USER MOD Single : A 24 ASN :FLIP amide:sc= -2.42! C(o=-3.1!,f=-2.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 134:sc= -0.343 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.276 USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00311 USER MOD Single : A 56 ASN : amide:sc= -0.0777 K(o=-0.078,f=-0.89) USER MOD Single : A 58 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 65 ASN : amide:sc= -0.149 K(o=-0.15,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -5.842 -7.948 3.121 1.00 0.00 N ATOM 67 CA ARG A 8 -6.956 -7.019 2.970 1.00 0.00 C ATOM 68 C ARG A 8 -6.738 -6.100 1.772 1.00 0.00 C ATOM 69 O ARG A 8 -5.616 -5.670 1.502 1.00 0.00 O ATOM 70 CB ARG A 8 -7.130 -6.186 4.241 1.00 0.00 C ATOM 71 CG ARG A 8 -6.077 -5.102 4.407 1.00 0.00 C ATOM 72 CD ARG A 8 -5.894 -4.723 5.869 1.00 0.00 C ATOM 73 NE ARG A 8 -6.979 -3.875 6.354 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.964 -3.267 7.535 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.926 -3.412 8.346 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.989 -2.510 7.906 1.00 0.00 N ATOM 0 HA ARG A 8 -7.862 -7.601 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.117 -5.724 4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.098 -6.848 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.128 -5.449 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.367 -4.221 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.843 -5.628 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.944 -4.203 5.993 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.793 -3.742 5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.136 -3.992 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.917 -2.944 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.789 -2.395 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.977 -2.044 8.813 1.00 0.00 H new ATOM 90 N ARG A 9 -7.818 -5.803 1.057 1.00 0.00 N ATOM 91 CA ARG A 9 -7.745 -4.936 -0.113 1.00 0.00 C ATOM 92 C ARG A 9 -7.892 -3.470 0.286 1.00 0.00 C ATOM 93 O ARG A 9 -8.924 -3.062 0.818 1.00 0.00 O ATOM 94 CB ARG A 9 -8.832 -5.312 -1.122 1.00 0.00 C ATOM 95 CG ARG A 9 -8.510 -6.561 -1.927 1.00 0.00 C ATOM 96 CD ARG A 9 -9.773 -7.308 -2.325 1.00 0.00 C ATOM 97 NE ARG A 9 -10.355 -8.037 -1.201 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.317 -8.943 -1.332 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.803 -9.230 -2.531 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.795 -9.565 -0.261 1.00 0.00 N ATOM 0 H ARG A 9 -8.754 -6.150 1.267 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.767 -5.073 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.772 -5.464 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.984 -4.478 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.952 -6.285 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.867 -7.217 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.504 -6.601 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.543 -8.006 -3.130 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.003 -7.839 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.438 -8.755 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.542 -9.926 -2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.423 -9.347 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.534 -10.261 -0.363 1.00 0.00 H new ATOM 114 N MET A 10 -6.853 -2.684 0.025 1.00 0.00 N ATOM 115 CA MET A 10 -6.867 -1.264 0.357 1.00 0.00 C ATOM 116 C MET A 10 -7.047 -0.415 -0.898 1.00 0.00 C ATOM 117 O MET A 10 -6.590 -0.784 -1.980 1.00 0.00 O ATOM 118 CB MET A 10 -5.572 -0.872 1.071 1.00 0.00 C ATOM 119 CG MET A 10 -5.169 -1.839 2.173 1.00 0.00 C ATOM 120 SD MET A 10 -4.034 -1.101 3.363 1.00 0.00 S ATOM 121 CE MET A 10 -5.160 -0.096 4.328 1.00 0.00 C ATOM 0 H MET A 10 -5.991 -3.006 -0.415 1.00 0.00 H new ATOM 0 HA MET A 10 -7.710 -1.080 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.767 -0.812 0.339 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.689 0.124 1.498 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.063 -2.183 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.702 -2.717 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.649 0.269 5.219 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.496 0.751 3.730 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.021 -0.696 4.623 1.00 0.00 H new ATOM 131 N VAL A 11 -7.715 0.724 -0.745 1.00 0.00 N ATOM 132 CA VAL A 11 -7.954 1.626 -1.865 1.00 0.00 C ATOM 133 C VAL A 11 -7.131 2.902 -1.729 1.00 0.00 C ATOM 134 O VAL A 11 -7.248 3.626 -0.741 1.00 0.00 O ATOM 135 CB VAL A 11 -9.444 1.999 -1.977 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.897 2.763 -0.742 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.697 2.811 -3.239 1.00 0.00 C ATOM 0 H VAL A 11 -8.100 1.044 0.144 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.651 1.096 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.027 1.080 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.952 3.018 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.753 2.143 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.310 3.676 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.755 3.066 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.105 3.726 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.413 2.224 -4.112 1.00 0.00 H new ATOM 147 N ALA A 12 -6.297 3.171 -2.729 1.00 0.00 N ATOM 148 CA ALA A 12 -5.456 4.361 -2.722 1.00 0.00 C ATOM 149 C ALA A 12 -6.299 5.630 -2.659 1.00 0.00 C ATOM 150 O ALA A 12 -7.210 5.823 -3.465 1.00 0.00 O ATOM 151 CB ALA A 12 -4.561 4.381 -3.953 1.00 0.00 C ATOM 0 H ALA A 12 -6.186 2.581 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.830 4.328 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.938 5.275 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.925 3.496 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.178 4.386 -4.851 1.00 0.00 H new ATOM 157 N LEU A 13 -5.992 6.491 -1.695 1.00 0.00 N ATOM 158 CA LEU A 13 -6.723 7.742 -1.525 1.00 0.00 C ATOM 159 C LEU A 13 -6.121 8.846 -2.389 1.00 0.00 C ATOM 160 O LEU A 13 -6.838 9.693 -2.921 1.00 0.00 O ATOM 161 CB LEU A 13 -6.713 8.166 -0.056 1.00 0.00 C ATOM 162 CG LEU A 13 -7.255 7.142 0.942 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.809 7.484 2.355 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.773 7.072 0.863 1.00 0.00 C ATOM 0 H LEU A 13 -5.242 6.346 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.753 7.578 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.688 8.409 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.296 9.082 0.041 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.851 6.163 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.205 6.744 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.720 7.482 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.182 8.472 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.141 6.338 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.195 8.050 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.072 6.778 -0.143 1.00 0.00 H new ATOM 176 N TYR A 14 -4.799 8.829 -2.525 1.00 0.00 N ATOM 177 CA TYR A 14 -4.100 9.828 -3.324 1.00 0.00 C ATOM 178 C TYR A 14 -2.928 9.204 -4.073 1.00 0.00 C ATOM 179 O TYR A 14 -2.267 8.296 -3.569 1.00 0.00 O ATOM 180 CB TYR A 14 -3.602 10.967 -2.432 1.00 0.00 C ATOM 181 CG TYR A 14 -4.696 11.625 -1.621 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.449 12.666 -2.150 1.00 0.00 C ATOM 183 CD2 TYR A 14 -4.975 11.206 -0.326 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.449 13.270 -1.413 1.00 0.00 C ATOM 185 CE2 TYR A 14 -5.974 11.804 0.417 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.708 12.835 -0.130 1.00 0.00 C ATOM 187 OH TYR A 14 -7.703 13.434 0.608 1.00 0.00 O ATOM 0 H TYR A 14 -4.191 8.134 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.802 10.228 -4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.842 10.580 -1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.120 11.721 -3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.249 13.009 -3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.401 10.400 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.025 14.078 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.179 11.466 1.422 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.757 13.009 1.490 1.00 0.00 H new ATOM 197 N ASP A 15 -2.676 9.698 -5.280 1.00 0.00 N ATOM 198 CA ASP A 15 -1.582 9.190 -6.101 1.00 0.00 C ATOM 199 C ASP A 15 -0.258 9.264 -5.347 1.00 0.00 C ATOM 200 O ASP A 15 0.218 10.350 -5.013 1.00 0.00 O ATOM 201 CB ASP A 15 -1.485 9.982 -7.406 1.00 0.00 C ATOM 202 CG ASP A 15 -2.845 10.396 -7.934 1.00 0.00 C ATOM 203 OD1 ASP A 15 -3.495 11.251 -7.297 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.259 9.865 -8.986 1.00 0.00 O ATOM 0 H ASP A 15 -3.214 10.449 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.789 8.146 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.875 10.871 -7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.975 9.379 -8.157 1.00 0.00 H new ATOM 209 N TYR A 16 0.332 8.104 -5.082 1.00 0.00 N ATOM 210 CA TYR A 16 1.600 8.037 -4.365 1.00 0.00 C ATOM 211 C TYR A 16 2.777 8.077 -5.334 1.00 0.00 C ATOM 212 O TYR A 16 2.622 7.819 -6.528 1.00 0.00 O ATOM 213 CB TYR A 16 1.664 6.764 -3.520 1.00 0.00 C ATOM 214 CG TYR A 16 2.951 6.621 -2.738 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.275 7.516 -1.726 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.842 5.591 -3.012 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.450 7.390 -1.010 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.019 5.456 -2.300 1.00 0.00 C ATOM 219 CZ TYR A 16 5.318 6.358 -1.300 1.00 0.00 C ATOM 220 OH TYR A 16 6.489 6.228 -0.590 1.00 0.00 O ATOM 0 H TYR A 16 -0.048 7.197 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 16 1.664 8.905 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.824 6.756 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.547 5.899 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.597 8.324 -1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.611 4.884 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.687 8.096 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.701 4.649 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 16 7.031 5.511 -0.981 1.00 0.00 H new ATOM 230 N ASP A 17 3.954 8.403 -4.812 1.00 0.00 N ATOM 231 CA ASP A 17 5.160 8.477 -5.629 1.00 0.00 C ATOM 232 C ASP A 17 6.409 8.489 -4.754 1.00 0.00 C ATOM 233 O ASP A 17 6.745 9.493 -4.124 1.00 0.00 O ATOM 234 CB ASP A 17 5.128 9.725 -6.512 1.00 0.00 C ATOM 235 CG ASP A 17 4.474 9.467 -7.856 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.166 8.965 -8.766 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.270 9.766 -7.996 1.00 0.00 O ATOM 0 H ASP A 17 4.099 8.620 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 17 5.193 7.593 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.588 10.519 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.146 10.082 -6.669 1.00 0.00 H new ATOM 242 N PRO A 18 7.114 7.349 -4.712 1.00 0.00 N ATOM 243 CA PRO A 18 8.337 7.204 -3.917 1.00 0.00 C ATOM 244 C PRO A 18 9.497 8.015 -4.484 1.00 0.00 C ATOM 245 O PRO A 18 10.615 7.960 -3.971 1.00 0.00 O ATOM 246 CB PRO A 18 8.640 5.706 -4.003 1.00 0.00 C ATOM 247 CG PRO A 18 8.000 5.262 -5.273 1.00 0.00 C ATOM 248 CD PRO A 18 6.772 6.114 -5.437 1.00 0.00 C ATOM 0 HA PRO A 18 8.206 7.569 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.714 5.519 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.233 5.170 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.678 5.388 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.739 4.205 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.557 6.311 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.890 5.632 -5.016 1.00 0.00 H new ATOM 256 N ARG A 19 9.224 8.767 -5.545 1.00 0.00 N ATOM 257 CA ARG A 19 10.246 9.589 -6.182 1.00 0.00 C ATOM 258 C ARG A 19 10.222 11.011 -5.630 1.00 0.00 C ATOM 259 O ARG A 19 11.171 11.773 -5.811 1.00 0.00 O ATOM 260 CB ARG A 19 10.038 9.615 -7.697 1.00 0.00 C ATOM 261 CG ARG A 19 10.320 8.284 -8.374 1.00 0.00 C ATOM 262 CD ARG A 19 10.404 8.434 -9.885 1.00 0.00 C ATOM 263 NE ARG A 19 11.450 9.371 -10.284 1.00 0.00 N ATOM 264 CZ ARG A 19 11.536 9.903 -11.499 1.00 0.00 C ATOM 265 NH1 ARG A 19 10.642 9.591 -12.427 1.00 0.00 N ATOM 266 NH2 ARG A 19 12.517 10.749 -11.786 1.00 0.00 N ATOM 0 H ARG A 19 8.304 8.824 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 19 11.219 9.149 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.010 9.910 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.685 10.378 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.256 7.873 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.534 7.572 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.598 7.461 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.444 8.778 -10.269 1.00 0.00 H new ATOM 0 HE ARG A 19 12.153 9.632 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.886 8.942 -12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.710 10.000 -13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.206 10.992 -11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.582 11.157 -12.719 1.00 0.00 H new ATOM 280 N GLU A 20 9.130 11.361 -4.957 1.00 0.00 N ATOM 281 CA GLU A 20 8.983 12.692 -4.380 1.00 0.00 C ATOM 282 C GLU A 20 8.740 12.609 -2.876 1.00 0.00 C ATOM 283 O GLU A 20 9.491 13.177 -2.083 1.00 0.00 O ATOM 284 CB GLU A 20 7.830 13.439 -5.053 1.00 0.00 C ATOM 285 CG GLU A 20 8.133 13.870 -6.478 1.00 0.00 C ATOM 286 CD GLU A 20 6.938 14.504 -7.163 1.00 0.00 C ATOM 287 OE1 GLU A 20 6.088 13.756 -7.688 1.00 0.00 O ATOM 288 OE2 GLU A 20 6.854 15.750 -7.174 1.00 0.00 O ATOM 0 H GLU A 20 8.335 10.742 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 20 9.910 13.239 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.947 12.800 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.584 14.320 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.961 14.579 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.460 13.004 -7.054 1.00 0.00 H new ATOM 295 N SER A 21 7.685 11.898 -2.491 1.00 0.00 N ATOM 296 CA SER A 21 7.340 11.744 -1.082 1.00 0.00 C ATOM 297 C SER A 21 8.455 11.030 -0.324 1.00 0.00 C ATOM 298 O SER A 21 8.943 11.522 0.692 1.00 0.00 O ATOM 299 CB SER A 21 6.030 10.966 -0.939 1.00 0.00 C ATOM 300 OG SER A 21 4.913 11.791 -1.217 1.00 0.00 O ATOM 0 H SER A 21 7.054 11.420 -3.134 1.00 0.00 H new ATOM 0 HA SER A 21 7.213 12.738 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.034 10.113 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.949 10.568 0.072 1.00 0.00 H new ATOM 0 HG SER A 21 4.089 11.269 -1.120 1.00 0.00 H new ATOM 306 N SER A 22 8.852 9.865 -0.828 1.00 0.00 N ATOM 307 CA SER A 22 9.907 9.080 -0.197 1.00 0.00 C ATOM 308 C SER A 22 11.271 9.725 -0.420 1.00 0.00 C ATOM 309 O SER A 22 11.552 10.296 -1.475 1.00 0.00 O ATOM 310 CB SER A 22 9.908 7.653 -0.748 1.00 0.00 C ATOM 311 OG SER A 22 10.382 6.733 0.219 1.00 0.00 O ATOM 0 H SER A 22 8.459 9.445 -1.670 1.00 0.00 H new ATOM 0 HA SER A 22 9.711 9.048 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.899 7.377 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.535 7.604 -1.639 1.00 0.00 H new ATOM 0 HG SER A 22 10.641 5.898 -0.223 1.00 0.00 H new ATOM 317 N PRO A 23 12.142 9.632 0.596 1.00 0.00 N ATOM 318 CA PRO A 23 13.492 10.200 0.536 1.00 0.00 C ATOM 319 C PRO A 23 14.395 9.446 -0.435 1.00 0.00 C ATOM 320 O PRO A 23 15.599 9.692 -0.496 1.00 0.00 O ATOM 321 CB PRO A 23 14.005 10.048 1.970 1.00 0.00 C ATOM 322 CG PRO A 23 13.230 8.906 2.530 1.00 0.00 C ATOM 323 CD PRO A 23 11.875 8.966 1.882 1.00 0.00 C ATOM 0 HA PRO A 23 13.486 11.229 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.076 9.846 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.842 10.958 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.723 7.958 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.148 8.985 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.453 7.971 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.165 9.530 2.487 1.00 0.00 H new ATOM 331 N ASN A 24 13.805 8.528 -1.193 1.00 0.00 N ATOM 332 CA ASN A 24 14.557 7.738 -2.162 1.00 0.00 C ATOM 333 C ASN A 24 15.389 6.668 -1.462 1.00 0.00 C ATOM 334 O ASN A 24 16.549 6.444 -1.808 1.00 0.00 O ATOM 335 CB ASN A 24 15.466 8.644 -2.994 1.00 0.00 C ATOM 336 CG ASN A 24 14.895 10.039 -3.162 1.00 0.00 C ATOM 337 OD1 ASN A 24 15.635 11.040 -2.700 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 13.802 10.214 -3.701 1.00 0.00 N flip ATOM 0 H ASN A 24 12.809 8.312 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 24 13.844 7.244 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.444 8.710 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.620 8.197 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.267 9.415 -4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.431 11.158 -3.807 1.00 0.00 H new ATOM 345 N VAL A 25 14.789 6.009 -0.476 1.00 0.00 N ATOM 346 CA VAL A 25 15.473 4.962 0.272 1.00 0.00 C ATOM 347 C VAL A 25 15.077 3.578 -0.232 1.00 0.00 C ATOM 348 O VAL A 25 14.079 3.008 0.208 1.00 0.00 O ATOM 349 CB VAL A 25 15.165 5.054 1.779 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.832 6.279 2.385 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.663 5.084 2.014 1.00 0.00 C ATOM 0 H VAL A 25 13.829 6.182 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 25 16.542 5.111 0.118 1.00 0.00 H new ATOM 0 HB VAL A 25 15.569 4.169 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.604 6.328 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.911 6.211 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.460 7.177 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.463 5.149 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.233 5.950 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.214 4.174 1.616 1.00 0.00 H new ATOM 361 N ASP A 26 15.867 3.044 -1.157 1.00 0.00 N ATOM 362 CA ASP A 26 15.600 1.726 -1.721 1.00 0.00 C ATOM 363 C ASP A 26 14.198 1.664 -2.319 1.00 0.00 C ATOM 364 O ASP A 26 13.543 0.622 -2.288 1.00 0.00 O ATOM 365 CB ASP A 26 15.758 0.647 -0.648 1.00 0.00 C ATOM 366 CG ASP A 26 17.187 0.523 -0.158 1.00 0.00 C ATOM 367 OD1 ASP A 26 18.111 0.800 -0.950 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.381 0.147 1.017 1.00 0.00 O ATOM 0 H ASP A 26 16.697 3.503 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 26 16.323 1.546 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.107 0.879 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.430 -0.312 -1.050 1.00 0.00 H new ATOM 373 N VAL A 27 13.742 2.788 -2.863 1.00 0.00 N ATOM 374 CA VAL A 27 12.418 2.862 -3.469 1.00 0.00 C ATOM 375 C VAL A 27 12.218 1.750 -4.492 1.00 0.00 C ATOM 376 O VAL A 27 11.088 1.409 -4.839 1.00 0.00 O ATOM 377 CB VAL A 27 12.189 4.223 -4.154 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.339 5.357 -3.152 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.151 4.400 -5.320 1.00 0.00 C ATOM 0 H VAL A 27 14.270 3.660 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 27 11.694 2.743 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 27 11.172 4.248 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.174 6.310 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.607 5.236 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.344 5.339 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.976 5.366 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.177 4.355 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.990 3.605 -6.048 1.00 0.00 H new ATOM 389 N GLU A 28 13.324 1.189 -4.971 1.00 0.00 N ATOM 390 CA GLU A 28 13.270 0.115 -5.956 1.00 0.00 C ATOM 391 C GLU A 28 12.300 -0.978 -5.516 1.00 0.00 C ATOM 392 O GLU A 28 11.801 -1.747 -6.337 1.00 0.00 O ATOM 393 CB GLU A 28 14.663 -0.481 -6.170 1.00 0.00 C ATOM 394 CG GLU A 28 15.454 0.203 -7.272 1.00 0.00 C ATOM 395 CD GLU A 28 14.871 -0.045 -8.650 1.00 0.00 C ATOM 396 OE1 GLU A 28 14.886 -1.209 -9.101 1.00 0.00 O ATOM 397 OE2 GLU A 28 14.398 0.926 -9.277 1.00 0.00 O ATOM 0 H GLU A 28 14.267 1.460 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 28 12.914 0.536 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.224 -0.416 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.563 -1.540 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.482 1.276 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.484 -0.152 -7.248 1.00 0.00 H new ATOM 404 N ALA A 29 12.038 -1.040 -4.214 1.00 0.00 N ATOM 405 CA ALA A 29 11.127 -2.036 -3.665 1.00 0.00 C ATOM 406 C ALA A 29 9.732 -1.454 -3.466 1.00 0.00 C ATOM 407 O ALA A 29 8.730 -2.144 -3.654 1.00 0.00 O ATOM 408 CB ALA A 29 11.668 -2.578 -2.350 1.00 0.00 C ATOM 0 H ALA A 29 12.444 -0.412 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 29 11.051 -2.856 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.977 -3.321 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.640 -3.040 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.774 -1.761 -1.636 1.00 0.00 H new ATOM 414 N GLU A 30 9.675 -0.182 -3.085 1.00 0.00 N ATOM 415 CA GLU A 30 8.401 0.491 -2.859 1.00 0.00 C ATOM 416 C GLU A 30 7.472 0.313 -4.056 1.00 0.00 C ATOM 417 O GLU A 30 7.916 -0.014 -5.158 1.00 0.00 O ATOM 418 CB GLU A 30 8.626 1.981 -2.592 1.00 0.00 C ATOM 419 CG GLU A 30 9.085 2.282 -1.175 1.00 0.00 C ATOM 420 CD GLU A 30 9.193 3.769 -0.901 1.00 0.00 C ATOM 421 OE1 GLU A 30 8.141 4.421 -0.737 1.00 0.00 O ATOM 422 OE2 GLU A 30 10.331 4.281 -0.850 1.00 0.00 O ATOM 0 H GLU A 30 10.495 0.403 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 30 7.931 0.039 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.369 2.359 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.699 2.521 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.386 1.836 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.054 1.813 -1.004 1.00 0.00 H new ATOM 429 N LEU A 31 6.181 0.530 -3.833 1.00 0.00 N ATOM 430 CA LEU A 31 5.187 0.393 -4.893 1.00 0.00 C ATOM 431 C LEU A 31 4.639 1.755 -5.304 1.00 0.00 C ATOM 432 O LEU A 31 4.263 2.568 -4.457 1.00 0.00 O ATOM 433 CB LEU A 31 4.043 -0.513 -4.432 1.00 0.00 C ATOM 434 CG LEU A 31 4.293 -2.017 -4.541 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.145 -2.795 -3.916 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.485 -2.422 -5.995 1.00 0.00 C ATOM 0 H LEU A 31 5.797 0.802 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 31 5.673 -0.058 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.816 -0.277 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.155 -0.269 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 31 5.206 -2.255 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.340 -3.864 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.054 -2.527 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.217 -2.552 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.662 -3.496 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.590 -2.170 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.341 -1.890 -6.411 1.00 0.00 H new ATOM 448 N THR A 32 4.593 2.000 -6.610 1.00 0.00 N ATOM 449 CA THR A 32 4.089 3.263 -7.134 1.00 0.00 C ATOM 450 C THR A 32 2.675 3.107 -7.680 1.00 0.00 C ATOM 451 O THR A 32 2.482 2.689 -8.822 1.00 0.00 O ATOM 452 CB THR A 32 5.000 3.812 -8.248 1.00 0.00 C ATOM 453 OG1 THR A 32 6.371 3.730 -7.845 1.00 0.00 O ATOM 454 CG2 THR A 32 4.647 5.255 -8.574 1.00 0.00 C ATOM 0 H THR A 32 4.899 1.339 -7.324 1.00 0.00 H new ATOM 0 HA THR A 32 4.078 3.968 -6.303 1.00 0.00 H new ATOM 0 HB THR A 32 4.848 3.207 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.943 4.079 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.304 5.621 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.611 5.309 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.773 5.870 -7.683 1.00 0.00 H new ATOM 462 N PHE A 33 1.687 3.445 -6.858 1.00 0.00 N ATOM 463 CA PHE A 33 0.289 3.342 -7.259 1.00 0.00 C ATOM 464 C PHE A 33 -0.328 4.725 -7.443 1.00 0.00 C ATOM 465 O PHE A 33 0.309 5.742 -7.165 1.00 0.00 O ATOM 466 CB PHE A 33 -0.506 2.551 -6.217 1.00 0.00 C ATOM 467 CG PHE A 33 -0.233 2.979 -4.804 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.906 2.547 -4.143 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.115 3.813 -4.136 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.161 2.940 -2.842 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.865 4.209 -2.835 1.00 0.00 C ATOM 472 CZ PHE A 33 0.273 3.771 -2.187 1.00 0.00 C ATOM 0 H PHE A 33 1.829 3.793 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 33 0.249 2.816 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.571 2.662 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.271 1.492 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.603 1.896 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.008 4.158 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.053 2.598 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.560 4.861 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.468 4.078 -1.170 1.00 0.00 H new ATOM 482 N CYS A 34 -1.570 4.755 -7.913 1.00 0.00 N ATOM 483 CA CYS A 34 -2.273 6.013 -8.136 1.00 0.00 C ATOM 484 C CYS A 34 -3.572 6.059 -7.338 1.00 0.00 C ATOM 485 O CYS A 34 -3.906 5.117 -6.619 1.00 0.00 O ATOM 486 CB CYS A 34 -2.568 6.200 -9.625 1.00 0.00 C ATOM 487 SG CYS A 34 -1.170 6.833 -10.581 1.00 0.00 S ATOM 0 H CYS A 34 -2.111 3.922 -8.147 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.630 6.825 -7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.879 5.244 -10.046 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.409 6.885 -9.735 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.517 6.955 -11.828 1.00 0.00 H new ATOM 493 N THR A 35 -4.302 7.163 -7.468 1.00 0.00 N ATOM 494 CA THR A 35 -5.563 7.333 -6.757 1.00 0.00 C ATOM 495 C THR A 35 -6.572 6.266 -7.164 1.00 0.00 C ATOM 496 O THR A 35 -6.867 6.095 -8.346 1.00 0.00 O ATOM 497 CB THR A 35 -6.171 8.724 -7.017 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.277 9.744 -6.556 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.515 8.866 -6.319 1.00 0.00 C ATOM 0 H THR A 35 -4.041 7.952 -8.059 1.00 0.00 H new ATOM 0 HA THR A 35 -5.342 7.234 -5.694 1.00 0.00 H new ATOM 0 HB THR A 35 -6.324 8.835 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.194 10.440 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.925 9.856 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.202 8.107 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.383 8.736 -5.245 1.00 0.00 H new ATOM 507 N GLY A 36 -7.099 5.548 -6.176 1.00 0.00 N ATOM 508 CA GLY A 36 -8.070 4.506 -6.452 1.00 0.00 C ATOM 509 C GLY A 36 -7.440 3.130 -6.524 1.00 0.00 C ATOM 510 O GLY A 36 -7.952 2.173 -5.943 1.00 0.00 O ATOM 0 H GLY A 36 -6.870 5.670 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.835 4.512 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.572 4.722 -7.395 1.00 0.00 H new ATOM 514 N ASP A 37 -6.325 3.029 -7.240 1.00 0.00 N ATOM 515 CA ASP A 37 -5.624 1.758 -7.387 1.00 0.00 C ATOM 516 C ASP A 37 -5.702 0.943 -6.101 1.00 0.00 C ATOM 517 O ASP A 37 -5.272 1.396 -5.040 1.00 0.00 O ATOM 518 CB ASP A 37 -4.162 2.000 -7.765 1.00 0.00 C ATOM 519 CG ASP A 37 -4.010 2.559 -9.166 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.906 3.310 -9.606 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.996 2.245 -9.823 1.00 0.00 O ATOM 0 H ASP A 37 -5.888 3.811 -7.727 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.109 1.193 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.715 2.692 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.610 1.063 -7.689 1.00 0.00 H new ATOM 526 N ILE A 38 -6.253 -0.262 -6.202 1.00 0.00 N ATOM 527 CA ILE A 38 -6.387 -1.140 -5.047 1.00 0.00 C ATOM 528 C ILE A 38 -5.108 -1.934 -4.809 1.00 0.00 C ATOM 529 O ILE A 38 -4.408 -2.301 -5.754 1.00 0.00 O ATOM 530 CB ILE A 38 -7.563 -2.121 -5.218 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.863 -1.354 -5.467 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.693 -3.011 -3.992 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.223 -0.397 -4.352 1.00 0.00 C ATOM 0 H ILE A 38 -6.614 -0.652 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.581 -0.501 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.366 -2.754 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.773 -0.796 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.677 -2.067 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.528 -3.698 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.773 -3.580 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.871 -2.394 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.155 0.112 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.345 -0.952 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.428 0.339 -4.234 1.00 0.00 H new ATOM 545 N ILE A 39 -4.809 -2.198 -3.541 1.00 0.00 N ATOM 546 CA ILE A 39 -3.615 -2.952 -3.180 1.00 0.00 C ATOM 547 C ILE A 39 -3.889 -3.886 -2.006 1.00 0.00 C ATOM 548 O ILE A 39 -4.385 -3.461 -0.962 1.00 0.00 O ATOM 549 CB ILE A 39 -2.447 -2.016 -2.815 1.00 0.00 C ATOM 550 CG1 ILE A 39 -2.095 -1.118 -4.002 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.235 -2.826 -2.379 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.515 0.220 -3.597 1.00 0.00 C ATOM 0 H ILE A 39 -5.377 -1.901 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.338 -3.542 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.755 -1.383 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.380 -1.637 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.992 -0.951 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.418 -2.150 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.494 -3.427 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.924 -3.481 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.289 0.804 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.237 0.759 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.600 0.062 -3.026 1.00 0.00 H new ATOM 564 N THR A 40 -3.560 -5.162 -2.182 1.00 0.00 N ATOM 565 CA THR A 40 -3.770 -6.157 -1.138 1.00 0.00 C ATOM 566 C THR A 40 -2.567 -6.236 -0.205 1.00 0.00 C ATOM 567 O THR A 40 -1.534 -6.807 -0.556 1.00 0.00 O ATOM 568 CB THR A 40 -4.035 -7.551 -1.736 1.00 0.00 C ATOM 569 OG1 THR A 40 -5.107 -7.482 -2.683 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.381 -8.551 -0.643 1.00 0.00 C ATOM 0 H THR A 40 -3.147 -5.531 -3.039 1.00 0.00 H new ATOM 0 HA THR A 40 -4.646 -5.841 -0.571 1.00 0.00 H new ATOM 0 HB THR A 40 -3.128 -7.885 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.268 -8.372 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.564 -9.529 -1.089 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.551 -8.623 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.276 -8.219 -0.116 1.00 0.00 H new ATOM 578 N VAL A 41 -2.708 -5.662 0.985 1.00 0.00 N ATOM 579 CA VAL A 41 -1.633 -5.670 1.970 1.00 0.00 C ATOM 580 C VAL A 41 -1.699 -6.916 2.845 1.00 0.00 C ATOM 581 O VAL A 41 -2.777 -7.453 3.099 1.00 0.00 O ATOM 582 CB VAL A 41 -1.686 -4.420 2.869 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.649 -3.154 2.027 1.00 0.00 C ATOM 584 CG2 VAL A 41 -2.927 -4.450 3.748 1.00 0.00 C ATOM 0 H VAL A 41 -3.556 -5.185 1.291 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.695 -5.669 1.415 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.809 -4.422 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.687 -2.282 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.728 -3.131 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.505 -3.140 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.949 -3.560 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.817 -4.473 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.905 -5.339 4.378 1.00 0.00 H new ATOM 594 N PHE A 42 -0.538 -7.371 3.306 1.00 0.00 N ATOM 595 CA PHE A 42 -0.464 -8.555 4.153 1.00 0.00 C ATOM 596 C PHE A 42 0.308 -8.258 5.436 1.00 0.00 C ATOM 597 O PHE A 42 1.422 -7.739 5.397 1.00 0.00 O ATOM 598 CB PHE A 42 0.203 -9.707 3.399 1.00 0.00 C ATOM 599 CG PHE A 42 -0.448 -10.018 2.082 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.553 -10.851 2.020 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.045 -9.477 0.906 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.154 -11.139 0.809 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.551 -9.762 -0.308 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.653 -10.593 -0.356 1.00 0.00 C ATOM 0 H PHE A 42 0.364 -6.938 3.107 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.481 -8.845 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.251 -9.460 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.184 -10.599 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.949 -11.280 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.905 -8.825 0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.015 -11.790 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.155 -9.335 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.122 -10.815 -1.303 1.00 0.00 H new ATOM 614 N GLY A 43 -0.296 -8.591 6.573 1.00 0.00 N ATOM 615 CA GLY A 43 0.348 -8.352 7.852 1.00 0.00 C ATOM 616 C GLY A 43 0.219 -6.912 8.305 1.00 0.00 C ATOM 617 O GLY A 43 -0.068 -6.025 7.502 1.00 0.00 O ATOM 0 H GLY A 43 -1.219 -9.022 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.091 -9.007 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.404 -8.613 7.778 1.00 0.00 H new ATOM 621 N GLU A 44 0.431 -6.678 9.597 1.00 0.00 N ATOM 622 CA GLU A 44 0.335 -5.334 10.155 1.00 0.00 C ATOM 623 C GLU A 44 1.533 -4.485 9.739 1.00 0.00 C ATOM 624 O GLU A 44 2.495 -4.992 9.162 1.00 0.00 O ATOM 625 CB GLU A 44 0.246 -5.397 11.681 1.00 0.00 C ATOM 626 CG GLU A 44 1.482 -5.986 12.339 1.00 0.00 C ATOM 627 CD GLU A 44 1.498 -7.502 12.302 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.406 -8.107 12.291 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.603 -8.083 12.282 1.00 0.00 O ATOM 0 H GLU A 44 0.670 -7.401 10.276 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.570 -4.870 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.083 -4.392 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.623 -5.992 11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.372 -5.605 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.532 -5.651 13.375 1.00 0.00 H new ATOM 636 N ILE A 45 1.465 -3.192 10.036 1.00 0.00 N ATOM 637 CA ILE A 45 2.543 -2.273 9.694 1.00 0.00 C ATOM 638 C ILE A 45 3.839 -2.658 10.400 1.00 0.00 C ATOM 639 O ILE A 45 3.821 -3.140 11.533 1.00 0.00 O ATOM 640 CB ILE A 45 2.184 -0.821 10.062 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.888 -0.401 9.366 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.321 0.118 9.688 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.427 0.991 9.736 1.00 0.00 C ATOM 0 H ILE A 45 0.675 -2.757 10.513 1.00 0.00 H new ATOM 0 HA ILE A 45 2.685 -2.342 8.615 1.00 0.00 H new ATOM 0 HB ILE A 45 2.031 -0.763 11.140 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.032 -0.452 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.103 -1.114 9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.051 1.140 9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.224 -0.171 10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.504 0.059 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.497 1.221 9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.251 1.042 10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.194 1.714 9.459 1.00 0.00 H new ATOM 655 N ASP A 46 4.961 -2.442 9.723 1.00 0.00 N ATOM 656 CA ASP A 46 6.268 -2.764 10.286 1.00 0.00 C ATOM 657 C ASP A 46 6.930 -1.519 10.869 1.00 0.00 C ATOM 658 O ASP A 46 6.405 -0.412 10.750 1.00 0.00 O ATOM 659 CB ASP A 46 7.169 -3.383 9.216 1.00 0.00 C ATOM 660 CG ASP A 46 6.632 -4.702 8.699 1.00 0.00 C ATOM 661 OD1 ASP A 46 6.981 -5.752 9.278 1.00 0.00 O ATOM 662 OD2 ASP A 46 5.862 -4.685 7.715 1.00 0.00 O ATOM 0 H ASP A 46 4.992 -2.045 8.784 1.00 0.00 H new ATOM 0 HA ASP A 46 6.123 -3.486 11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.273 -2.686 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.166 -3.537 9.629 1.00 0.00 H new ATOM 667 N GLU A 47 8.084 -1.710 11.500 1.00 0.00 N ATOM 668 CA GLU A 47 8.816 -0.602 12.103 1.00 0.00 C ATOM 669 C GLU A 47 8.934 0.567 11.129 1.00 0.00 C ATOM 670 O GLU A 47 8.900 1.730 11.532 1.00 0.00 O ATOM 671 CB GLU A 47 10.210 -1.060 12.539 1.00 0.00 C ATOM 672 CG GLU A 47 10.248 -1.641 13.942 1.00 0.00 C ATOM 673 CD GLU A 47 11.596 -2.244 14.287 1.00 0.00 C ATOM 674 OE1 GLU A 47 12.470 -1.502 14.782 1.00 0.00 O ATOM 675 OE2 GLU A 47 11.777 -3.459 14.062 1.00 0.00 O ATOM 0 H GLU A 47 8.532 -2.620 11.607 1.00 0.00 H new ATOM 0 HA GLU A 47 8.261 -0.267 12.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.574 -1.808 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.894 -0.213 12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.009 -0.858 14.662 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.477 -2.406 14.036 1.00 0.00 H new ATOM 682 N ASP A 48 9.074 0.249 9.847 1.00 0.00 N ATOM 683 CA ASP A 48 9.197 1.271 8.815 1.00 0.00 C ATOM 684 C ASP A 48 7.951 2.151 8.770 1.00 0.00 C ATOM 685 O ASP A 48 8.035 3.350 8.509 1.00 0.00 O ATOM 686 CB ASP A 48 9.427 0.622 7.449 1.00 0.00 C ATOM 687 CG ASP A 48 8.317 -0.339 7.070 1.00 0.00 C ATOM 688 OD1 ASP A 48 7.408 -0.553 7.900 1.00 0.00 O ATOM 689 OD2 ASP A 48 8.356 -0.876 5.944 1.00 0.00 O ATOM 0 H ASP A 48 9.105 -0.709 9.498 1.00 0.00 H new ATOM 0 HA ASP A 48 10.054 1.898 9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.506 1.400 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.378 0.089 7.459 1.00 0.00 H new ATOM 694 N GLY A 49 6.795 1.545 9.027 1.00 0.00 N ATOM 695 CA GLY A 49 5.549 2.288 9.010 1.00 0.00 C ATOM 696 C GLY A 49 4.824 2.175 7.684 1.00 0.00 C ATOM 697 O GLY A 49 4.042 3.053 7.318 1.00 0.00 O ATOM 0 H GLY A 49 6.700 0.553 9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.901 1.923 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.753 3.338 9.221 1.00 0.00 H new ATOM 701 N PHE A 50 5.085 1.091 6.960 1.00 0.00 N ATOM 702 CA PHE A 50 4.453 0.867 5.665 1.00 0.00 C ATOM 703 C PHE A 50 3.753 -0.488 5.628 1.00 0.00 C ATOM 704 O PHE A 50 3.730 -1.215 6.622 1.00 0.00 O ATOM 705 CB PHE A 50 5.494 0.946 4.546 1.00 0.00 C ATOM 706 CG PHE A 50 6.143 2.295 4.425 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.254 2.615 5.188 1.00 0.00 C ATOM 708 CD2 PHE A 50 5.640 3.244 3.549 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.854 3.855 5.079 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.236 4.486 3.436 1.00 0.00 C ATOM 711 CZ PHE A 50 7.344 4.792 4.202 1.00 0.00 C ATOM 0 H PHE A 50 5.729 0.355 7.248 1.00 0.00 H new ATOM 0 HA PHE A 50 3.706 1.646 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.264 0.196 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.017 0.695 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.656 1.886 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.773 3.011 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.721 4.091 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.836 5.217 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.811 5.762 4.115 1.00 0.00 H new ATOM 721 N TYR A 51 3.182 -0.821 4.476 1.00 0.00 N ATOM 722 CA TYR A 51 2.478 -2.087 4.310 1.00 0.00 C ATOM 723 C TYR A 51 3.032 -2.867 3.122 1.00 0.00 C ATOM 724 O TYR A 51 3.449 -2.283 2.121 1.00 0.00 O ATOM 725 CB TYR A 51 0.980 -1.841 4.118 1.00 0.00 C ATOM 726 CG TYR A 51 0.195 -1.848 5.410 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.406 -2.831 6.369 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.759 -0.872 5.672 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.309 -2.842 7.551 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.478 -0.874 6.851 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.250 -1.861 7.787 1.00 0.00 C ATOM 732 OH TYR A 51 -1.965 -1.868 8.963 1.00 0.00 O ATOM 0 H TYR A 51 3.193 -0.232 3.643 1.00 0.00 H new ATOM 0 HA TYR A 51 2.630 -2.678 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.839 -0.881 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.577 -2.605 3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.142 -3.600 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.941 -0.098 4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.132 -3.614 8.286 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.215 -0.107 7.039 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.585 -1.109 8.973 1.00 0.00 H new ATOM 742 N TYR A 52 3.034 -4.190 3.240 1.00 0.00 N ATOM 743 CA TYR A 52 3.539 -5.052 2.178 1.00 0.00 C ATOM 744 C TYR A 52 2.391 -5.707 1.417 1.00 0.00 C ATOM 745 O TYR A 52 1.825 -6.706 1.861 1.00 0.00 O ATOM 746 CB TYR A 52 4.460 -6.127 2.759 1.00 0.00 C ATOM 747 CG TYR A 52 5.379 -6.754 1.735 1.00 0.00 C ATOM 748 CD1 TYR A 52 4.950 -7.808 0.940 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.678 -6.290 1.563 1.00 0.00 C ATOM 750 CE1 TYR A 52 5.787 -8.384 0.004 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.522 -6.859 0.629 1.00 0.00 C ATOM 752 CZ TYR A 52 7.072 -7.906 -0.148 1.00 0.00 C ATOM 753 OH TYR A 52 7.908 -8.476 -1.080 1.00 0.00 O ATOM 0 H TYR A 52 2.691 -4.689 4.061 1.00 0.00 H new ATOM 0 HA TYR A 52 4.107 -4.434 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.062 -5.687 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.851 -6.908 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.944 -8.184 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.034 -5.471 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.437 -9.204 -0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.528 -6.486 0.508 1.00 0.00 H new ATOM 0 HH TYR A 52 8.777 -8.022 -1.061 1.00 0.00 H new ATOM 763 N GLY A 53 2.052 -5.137 0.264 1.00 0.00 N ATOM 764 CA GLY A 53 0.973 -5.679 -0.542 1.00 0.00 C ATOM 765 C GLY A 53 1.414 -6.005 -1.955 1.00 0.00 C ATOM 766 O GLY A 53 2.554 -5.738 -2.334 1.00 0.00 O ATOM 0 H GLY A 53 2.505 -4.310 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.587 -6.581 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.153 -4.961 -0.577 1.00 0.00 H new ATOM 770 N GLU A 54 0.509 -6.586 -2.737 1.00 0.00 N ATOM 771 CA GLU A 54 0.812 -6.952 -4.115 1.00 0.00 C ATOM 772 C GLU A 54 0.004 -6.104 -5.093 1.00 0.00 C ATOM 773 O GLU A 54 -1.209 -5.949 -4.943 1.00 0.00 O ATOM 774 CB GLU A 54 0.522 -8.436 -4.349 1.00 0.00 C ATOM 775 CG GLU A 54 1.280 -9.027 -5.525 1.00 0.00 C ATOM 776 CD GLU A 54 0.517 -8.907 -6.830 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.090 -7.783 -7.168 1.00 0.00 O ATOM 778 OE2 GLU A 54 0.347 -9.938 -7.514 1.00 0.00 O ATOM 0 H GLU A 54 -0.440 -6.813 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 54 1.872 -6.766 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.776 -8.993 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.547 -8.567 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.242 -8.523 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.490 -10.078 -5.326 1.00 0.00 H new ATOM 785 N LEU A 55 0.684 -5.558 -6.095 1.00 0.00 N ATOM 786 CA LEU A 55 0.030 -4.725 -7.099 1.00 0.00 C ATOM 787 C LEU A 55 0.600 -4.997 -8.487 1.00 0.00 C ATOM 788 O LEU A 55 1.814 -5.082 -8.665 1.00 0.00 O ATOM 789 CB LEU A 55 0.196 -3.245 -6.749 1.00 0.00 C ATOM 790 CG LEU A 55 -0.274 -2.248 -7.808 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.790 -2.265 -7.923 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.222 -0.847 -7.479 1.00 0.00 C ATOM 0 H LEU A 55 1.687 -5.677 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.031 -4.974 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.349 -3.047 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.250 -3.057 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 55 0.146 -2.544 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.105 -1.549 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.122 -3.264 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.231 -1.995 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.122 -0.150 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.168 -0.542 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.312 -0.844 -7.450 1.00 0.00 H new ATOM 804 N ASN A 56 -0.286 -5.131 -9.469 1.00 0.00 N ATOM 805 CA ASN A 56 0.129 -5.392 -10.842 1.00 0.00 C ATOM 806 C ASN A 56 1.193 -6.485 -10.891 1.00 0.00 C ATOM 807 O ASN A 56 2.070 -6.473 -11.754 1.00 0.00 O ATOM 808 CB ASN A 56 0.665 -4.113 -11.487 1.00 0.00 C ATOM 809 CG ASN A 56 -0.350 -2.986 -11.468 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.549 -3.218 -11.310 1.00 0.00 O ATOM 811 ND2 ASN A 56 0.127 -1.758 -11.630 1.00 0.00 N ATOM 0 H ASN A 56 -1.295 -5.063 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.743 -5.734 -11.400 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.566 -3.795 -10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.952 -4.322 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.508 -0.960 -11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.128 -1.613 -11.758 1.00 0.00 H new ATOM 818 N GLY A 57 1.109 -7.428 -9.958 1.00 0.00 N ATOM 819 CA GLY A 57 2.070 -8.514 -9.912 1.00 0.00 C ATOM 820 C GLY A 57 3.400 -8.087 -9.325 1.00 0.00 C ATOM 821 O GLY A 57 4.451 -8.587 -9.725 1.00 0.00 O ATOM 0 H GLY A 57 0.392 -7.459 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.661 -9.332 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.228 -8.898 -10.920 1.00 0.00 H new ATOM 825 N GLN A 58 3.355 -7.159 -8.375 1.00 0.00 N ATOM 826 CA GLN A 58 4.567 -6.663 -7.734 1.00 0.00 C ATOM 827 C GLN A 58 4.384 -6.568 -6.223 1.00 0.00 C ATOM 828 O GLN A 58 3.361 -6.081 -5.740 1.00 0.00 O ATOM 829 CB GLN A 58 4.946 -5.294 -8.301 1.00 0.00 C ATOM 830 CG GLN A 58 5.713 -5.369 -9.611 1.00 0.00 C ATOM 831 CD GLN A 58 7.211 -5.474 -9.405 1.00 0.00 C ATOM 832 OE1 GLN A 58 7.940 -4.493 -9.551 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.679 -6.669 -9.064 1.00 0.00 N ATOM 0 H GLN A 58 2.493 -6.735 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 58 5.372 -7.369 -7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.039 -4.710 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.549 -4.760 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.367 -6.231 -10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.493 -4.484 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.038 -7.455 -8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.679 -6.801 -8.912 1.00 0.00 H new ATOM 842 N LYS A 59 5.382 -7.035 -5.480 1.00 0.00 N ATOM 843 CA LYS A 59 5.333 -7.003 -4.023 1.00 0.00 C ATOM 844 C LYS A 59 6.336 -5.997 -3.467 1.00 0.00 C ATOM 845 O LYS A 59 7.546 -6.185 -3.582 1.00 0.00 O ATOM 846 CB LYS A 59 5.618 -8.393 -3.451 1.00 0.00 C ATOM 847 CG LYS A 59 4.538 -9.413 -3.766 1.00 0.00 C ATOM 848 CD LYS A 59 4.962 -10.817 -3.366 1.00 0.00 C ATOM 849 CE LYS A 59 3.773 -11.762 -3.302 1.00 0.00 C ATOM 850 NZ LYS A 59 4.186 -13.150 -2.955 1.00 0.00 N ATOM 0 H LYS A 59 6.236 -7.441 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 59 4.331 -6.693 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.570 -8.751 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.729 -8.316 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.620 -9.146 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.314 -9.390 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.691 -11.196 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.456 -10.786 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.060 -11.399 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.260 -11.765 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.347 -13.764 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.847 -13.506 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.653 -13.151 -2.026 1.00 0.00 H new ATOM 864 N GLY A 60 5.824 -4.929 -2.863 1.00 0.00 N ATOM 865 CA GLY A 60 6.689 -3.910 -2.297 1.00 0.00 C ATOM 866 C GLY A 60 6.120 -3.305 -1.030 1.00 0.00 C ATOM 867 O GLY A 60 5.438 -3.983 -0.261 1.00 0.00 O ATOM 0 H GLY A 60 4.825 -4.751 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.665 -4.345 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.847 -3.122 -3.033 1.00 0.00 H new ATOM 871 N LEU A 61 6.402 -2.026 -0.809 1.00 0.00 N ATOM 872 CA LEU A 61 5.914 -1.329 0.376 1.00 0.00 C ATOM 873 C LEU A 61 4.900 -0.255 -0.003 1.00 0.00 C ATOM 874 O LEU A 61 5.007 0.372 -1.057 1.00 0.00 O ATOM 875 CB LEU A 61 7.082 -0.697 1.137 1.00 0.00 C ATOM 876 CG LEU A 61 8.062 -1.672 1.792 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.249 -0.923 2.377 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.362 -2.490 2.867 1.00 0.00 C ATOM 0 H LEU A 61 6.966 -1.450 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 61 5.421 -2.058 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.638 -0.062 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.676 -0.046 1.911 1.00 0.00 H new ATOM 0 HG LEU A 61 8.431 -2.355 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.935 -1.633 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.765 -0.383 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.898 -0.216 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.074 -3.178 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.964 -1.822 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.546 -3.057 2.419 1.00 0.00 H new ATOM 890 N VAL A 62 3.915 -0.046 0.866 1.00 0.00 N ATOM 891 CA VAL A 62 2.882 0.955 0.624 1.00 0.00 C ATOM 892 C VAL A 62 2.524 1.696 1.907 1.00 0.00 C ATOM 893 O VAL A 62 2.252 1.093 2.946 1.00 0.00 O ATOM 894 CB VAL A 62 1.608 0.317 0.040 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.795 0.006 -1.437 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.238 -0.939 0.815 1.00 0.00 C ATOM 0 H VAL A 62 3.811 -0.556 1.743 1.00 0.00 H new ATOM 0 HA VAL A 62 3.289 1.662 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 62 0.789 1.030 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.884 -0.444 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.009 0.927 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.626 -0.688 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.335 -1.377 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.054 -1.658 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.059 -0.683 1.859 1.00 0.00 H new ATOM 906 N PRO A 63 2.523 3.035 1.837 1.00 0.00 N ATOM 907 CA PRO A 63 2.199 3.888 2.984 1.00 0.00 C ATOM 908 C PRO A 63 0.725 3.810 3.366 1.00 0.00 C ATOM 909 O PRO A 63 -0.140 4.313 2.650 1.00 0.00 O ATOM 910 CB PRO A 63 2.549 5.294 2.491 1.00 0.00 C ATOM 911 CG PRO A 63 2.427 5.217 1.008 1.00 0.00 C ATOM 912 CD PRO A 63 2.838 3.820 0.631 1.00 0.00 C ATOM 0 HA PRO A 63 2.742 3.588 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.870 6.039 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.557 5.579 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.405 5.423 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.066 5.956 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.288 3.460 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.898 3.766 0.382 1.00 0.00 H new ATOM 920 N SER A 64 0.445 3.175 4.500 1.00 0.00 N ATOM 921 CA SER A 64 -0.925 3.028 4.976 1.00 0.00 C ATOM 922 C SER A 64 -1.644 4.373 4.987 1.00 0.00 C ATOM 923 O SER A 64 -2.849 4.447 4.751 1.00 0.00 O ATOM 924 CB SER A 64 -0.937 2.419 6.380 1.00 0.00 C ATOM 925 OG SER A 64 -2.263 2.201 6.830 1.00 0.00 O ATOM 0 H SER A 64 1.149 2.754 5.106 1.00 0.00 H new ATOM 0 HA SER A 64 -1.451 2.360 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.392 1.475 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.419 3.083 7.072 1.00 0.00 H new ATOM 0 HG SER A 64 -2.243 1.810 7.728 1.00 0.00 H new ATOM 931 N ASN A 65 -0.894 5.435 5.262 1.00 0.00 N ATOM 932 CA ASN A 65 -1.459 6.779 5.304 1.00 0.00 C ATOM 933 C ASN A 65 -2.139 7.126 3.983 1.00 0.00 C ATOM 934 O ASN A 65 -3.084 7.914 3.947 1.00 0.00 O ATOM 935 CB ASN A 65 -0.366 7.805 5.613 1.00 0.00 C ATOM 936 CG ASN A 65 0.325 7.534 6.935 1.00 0.00 C ATOM 937 OD1 ASN A 65 0.761 6.414 7.202 1.00 0.00 O ATOM 938 ND2 ASN A 65 0.427 8.561 7.771 1.00 0.00 N ATOM 0 H ASN A 65 0.106 5.391 5.459 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.208 6.806 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.373 7.797 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.804 8.803 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.881 8.439 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.051 9.472 7.508 1.00 0.00 H new ATOM 945 N PHE A 66 -1.651 6.530 2.900 1.00 0.00 N ATOM 946 CA PHE A 66 -2.211 6.776 1.575 1.00 0.00 C ATOM 947 C PHE A 66 -3.329 5.784 1.265 1.00 0.00 C ATOM 948 O PHE A 66 -4.277 6.105 0.548 1.00 0.00 O ATOM 949 CB PHE A 66 -1.117 6.678 0.510 1.00 0.00 C ATOM 950 CG PHE A 66 -0.145 7.823 0.542 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.613 8.074 1.674 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.009 8.648 -0.561 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.508 9.127 1.706 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.903 9.702 -0.534 1.00 0.00 C ATOM 955 CZ PHE A 66 1.653 9.942 0.601 1.00 0.00 C ATOM 0 H PHE A 66 -0.870 5.874 2.913 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.629 7.783 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.571 5.744 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.582 6.634 -0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.503 7.440 2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.575 8.466 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.093 9.312 2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.015 10.338 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.351 10.765 0.624 1.00 0.00 H new ATOM 965 N LEU A 67 -3.210 4.579 1.810 1.00 0.00 N ATOM 966 CA LEU A 67 -4.209 3.539 1.592 1.00 0.00 C ATOM 967 C LEU A 67 -5.326 3.631 2.627 1.00 0.00 C ATOM 968 O LEU A 67 -5.161 4.250 3.678 1.00 0.00 O ATOM 969 CB LEU A 67 -3.557 2.156 1.651 1.00 0.00 C ATOM 970 CG LEU A 67 -2.216 2.016 0.930 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.594 0.658 1.220 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.393 2.215 -0.568 1.00 0.00 C ATOM 0 H LEU A 67 -2.432 4.298 2.406 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.642 3.688 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.414 1.888 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.252 1.430 1.228 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.542 2.788 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.640 0.576 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.431 0.554 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.264 -0.130 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.429 2.112 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.083 1.465 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.794 3.210 -0.758 1.00 0.00 H new ATOM 984 N GLU A 68 -6.461 3.009 2.323 1.00 0.00 N ATOM 985 CA GLU A 68 -7.604 3.021 3.228 1.00 0.00 C ATOM 986 C GLU A 68 -8.417 1.736 3.095 1.00 0.00 C ATOM 987 O GLU A 68 -8.795 1.341 1.993 1.00 0.00 O ATOM 988 CB GLU A 68 -8.495 4.233 2.945 1.00 0.00 C ATOM 989 CG GLU A 68 -9.750 4.279 3.800 1.00 0.00 C ATOM 990 CD GLU A 68 -10.745 5.317 3.320 1.00 0.00 C ATOM 991 OE1 GLU A 68 -11.214 5.200 2.168 1.00 0.00 O ATOM 992 OE2 GLU A 68 -11.056 6.245 4.094 1.00 0.00 O ATOM 0 H GLU A 68 -6.613 2.491 1.458 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.226 3.088 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.919 5.143 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.782 4.225 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.224 3.298 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.474 4.495 4.832 1.00 0.00 H new ATOM 999 N GLU A 69 -8.680 1.090 4.226 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.446 -0.151 4.235 1.00 0.00 C ATOM 1001 C GLU A 69 -10.730 -0.003 3.425 1.00 0.00 C ATOM 1002 O GLU A 69 -11.582 0.829 3.736 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.781 -0.559 5.672 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.568 -1.855 5.769 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.221 -2.041 7.125 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -10.511 -1.928 8.146 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -12.442 -2.300 7.164 1.00 0.00 O ATOM 0 H GLU A 69 -8.375 1.405 5.147 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.835 -0.929 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.854 -0.663 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.353 0.240 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.336 -1.868 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.902 -2.695 5.572 1.00 0.00 H new