USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 488 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 8 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.964 (180deg=-1.09) USER MOD Single : A 24 ASN : amide:sc= -0.15 K(o=-0.15,f=-3.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 147:sc= -0.0156 (180deg=-0.442) USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.781 USER MOD Single : A 38 ASN : amide:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 106:sc= 0.78 USER MOD Single : A 51 MET CE :methyl -161:sc= -0.166 (180deg=-0.648) USER MOD Single : A 62 GLN : amide:sc=-0.00729 K(o=-0.0073,f=-2.9!) USER MOD Single : A 64 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.7) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.3) USER MOD Single : A 71 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-4.6!) USER MOD Single : A 72 MET CE :methyl -157:sc= -0.0869 (180deg=-0.565) USER MOD Single : A 73 THR OG1 : rot -73:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 -0.124 17.779 1.054 1.00 0.00 N ATOM 111 CA SER A 8 -0.936 17.528 -0.119 1.00 0.00 C ATOM 112 C SER A 8 -0.571 16.172 -0.744 1.00 0.00 C ATOM 113 O SER A 8 0.300 15.455 -0.237 1.00 0.00 O ATOM 114 CB SER A 8 -0.726 18.676 -1.118 1.00 0.00 C ATOM 115 OG SER A 8 -1.716 18.704 -2.130 1.00 0.00 O ATOM 0 HA SER A 8 -1.989 17.485 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.732 19.625 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.257 18.577 -1.579 1.00 0.00 H new ATOM 0 HG SER A 8 -1.540 19.452 -2.739 1.00 0.00 H new ATOM 121 N GLU A 9 -1.219 15.863 -1.870 1.00 0.00 N ATOM 122 CA GLU A 9 -1.061 14.593 -2.586 1.00 0.00 C ATOM 123 C GLU A 9 0.325 14.476 -3.233 1.00 0.00 C ATOM 124 O GLU A 9 0.739 13.382 -3.596 1.00 0.00 O ATOM 125 CB GLU A 9 -2.142 14.473 -3.663 1.00 0.00 C ATOM 126 CG GLU A 9 -3.544 14.772 -3.163 1.00 0.00 C ATOM 127 CD GLU A 9 -4.582 14.702 -4.258 1.00 0.00 C ATOM 128 OE1 GLU A 9 -5.111 13.603 -4.516 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.870 15.747 -4.871 1.00 0.00 O ATOM 0 H GLU A 9 -1.879 16.498 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.163 13.785 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.905 15.155 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.121 13.464 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.803 14.063 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.561 15.766 -2.715 1.00 0.00 H new ATOM 136 N GLU A 10 1.028 15.613 -3.354 1.00 0.00 N ATOM 137 CA GLU A 10 2.407 15.667 -3.869 1.00 0.00 C ATOM 138 C GLU A 10 3.401 14.959 -2.936 1.00 0.00 C ATOM 139 O GLU A 10 4.338 14.301 -3.402 1.00 0.00 O ATOM 140 CB GLU A 10 2.837 17.122 -4.058 1.00 0.00 C ATOM 141 CG GLU A 10 2.054 17.865 -5.131 1.00 0.00 C ATOM 142 CD GLU A 10 2.353 17.372 -6.533 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.376 17.779 -7.107 1.00 0.00 O ATOM 144 OE2 GLU A 10 1.556 16.587 -7.072 1.00 0.00 O ATOM 0 H GLU A 10 0.654 16.526 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 10 2.416 15.145 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.725 17.649 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.896 17.147 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.987 17.758 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.284 18.929 -5.069 1.00 0.00 H new ATOM 151 N GLU A 11 3.173 15.090 -1.622 1.00 0.00 N ATOM 152 CA GLU A 11 3.964 14.401 -0.600 1.00 0.00 C ATOM 153 C GLU A 11 3.686 12.893 -0.638 1.00 0.00 C ATOM 154 O GLU A 11 4.586 12.072 -0.452 1.00 0.00 O ATOM 155 CB GLU A 11 3.616 14.976 0.777 1.00 0.00 C ATOM 156 CG GLU A 11 4.400 14.361 1.919 1.00 0.00 C ATOM 157 CD GLU A 11 4.025 14.928 3.264 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.938 14.599 3.771 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.836 15.679 3.839 1.00 0.00 O ATOM 0 H GLU A 11 2.433 15.679 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 11 5.025 14.555 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.794 16.051 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.552 14.831 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.235 13.284 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.465 14.520 1.748 1.00 0.00 H new ATOM 166 N ILE A 12 2.436 12.562 -0.961 1.00 0.00 N ATOM 167 CA ILE A 12 1.951 11.186 -0.988 1.00 0.00 C ATOM 168 C ILE A 12 2.485 10.432 -2.235 1.00 0.00 C ATOM 169 O ILE A 12 2.578 9.206 -2.233 1.00 0.00 O ATOM 170 CB ILE A 12 0.387 11.158 -0.950 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.190 12.142 0.092 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.126 9.761 -0.649 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.141 11.821 1.544 1.00 0.00 C ATOM 0 H ILE A 12 1.726 13.250 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 12 2.327 10.674 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 12 0.051 11.467 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.178 13.143 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.274 12.169 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.216 9.770 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.217 9.073 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.252 9.435 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.310 12.571 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.252 10.837 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.222 11.826 1.680 1.00 0.00 H new ATOM 185 N ARG A 13 2.863 11.187 -3.282 1.00 0.00 N ATOM 186 CA ARG A 13 3.513 10.621 -4.489 1.00 0.00 C ATOM 187 C ARG A 13 4.873 10.003 -4.151 1.00 0.00 C ATOM 188 O ARG A 13 5.219 8.932 -4.647 1.00 0.00 O ATOM 189 CB ARG A 13 3.728 11.702 -5.556 1.00 0.00 C ATOM 190 CG ARG A 13 2.451 12.336 -6.062 1.00 0.00 C ATOM 191 CD ARG A 13 2.717 13.501 -6.995 1.00 0.00 C ATOM 192 NE ARG A 13 3.285 13.086 -8.282 1.00 0.00 N ATOM 193 CZ ARG A 13 3.675 13.934 -9.239 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.572 15.249 -9.070 1.00 0.00 N ATOM 195 NH2 ARG A 13 4.151 13.461 -10.380 1.00 0.00 N ATOM 0 H ARG A 13 2.730 12.198 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 13 2.846 9.849 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.369 12.481 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.262 11.263 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.857 11.585 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.858 12.680 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.785 14.038 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.400 14.199 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 13 3.389 12.087 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.191 15.623 -8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.874 15.883 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.219 12.454 -10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.450 14.104 -11.113 1.00 0.00 H new ATOM 209 N GLU A 14 5.624 10.692 -3.288 1.00 0.00 N ATOM 210 CA GLU A 14 6.950 10.248 -2.861 1.00 0.00 C ATOM 211 C GLU A 14 6.843 9.196 -1.745 1.00 0.00 C ATOM 212 O GLU A 14 7.720 8.346 -1.600 1.00 0.00 O ATOM 213 CB GLU A 14 7.755 11.469 -2.404 1.00 0.00 C ATOM 214 CG GLU A 14 9.220 11.183 -2.119 1.00 0.00 C ATOM 215 CD GLU A 14 9.989 12.421 -1.737 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.001 12.773 -0.543 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.612 13.029 -2.625 1.00 0.00 O ATOM 0 H GLU A 14 5.329 11.573 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 14 7.465 9.773 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.690 12.240 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.295 11.876 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.294 10.451 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.677 10.734 -3.001 1.00 0.00 H new ATOM 224 N ALA A 15 5.739 9.237 -0.989 1.00 0.00 N ATOM 225 CA ALA A 15 5.450 8.223 0.030 1.00 0.00 C ATOM 226 C ALA A 15 5.041 6.900 -0.620 1.00 0.00 C ATOM 227 O ALA A 15 5.212 5.834 -0.038 1.00 0.00 O ATOM 228 CB ALA A 15 4.365 8.714 0.975 1.00 0.00 C ATOM 0 H ALA A 15 5.029 9.965 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 15 6.358 8.050 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.163 7.950 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.698 9.627 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.455 8.918 0.410 1.00 0.00 H new ATOM 234 N PHE A 16 4.537 6.987 -1.853 1.00 0.00 N ATOM 235 CA PHE A 16 4.196 5.818 -2.656 1.00 0.00 C ATOM 236 C PHE A 16 5.467 5.088 -3.114 1.00 0.00 C ATOM 237 O PHE A 16 5.445 3.891 -3.353 1.00 0.00 O ATOM 238 CB PHE A 16 3.360 6.256 -3.872 1.00 0.00 C ATOM 239 CG PHE A 16 2.674 5.129 -4.592 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.457 4.663 -4.151 1.00 0.00 C ATOM 241 CD2 PHE A 16 3.247 4.532 -5.699 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.823 3.625 -4.788 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.616 3.495 -6.340 1.00 0.00 C ATOM 244 CZ PHE A 16 1.403 3.041 -5.881 1.00 0.00 C ATOM 0 H PHE A 16 4.355 7.875 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 16 3.610 5.128 -2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.607 6.971 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.009 6.778 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.993 5.121 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.201 4.885 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.131 3.270 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.073 3.036 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.907 2.223 -6.383 1.00 0.00 H new ATOM 254 N ARG A 17 6.579 5.819 -3.198 1.00 0.00 N ATOM 255 CA ARG A 17 7.847 5.263 -3.679 1.00 0.00 C ATOM 256 C ARG A 17 8.537 4.430 -2.591 1.00 0.00 C ATOM 257 O ARG A 17 9.330 3.541 -2.898 1.00 0.00 O ATOM 258 CB ARG A 17 8.790 6.391 -4.131 1.00 0.00 C ATOM 259 CG ARG A 17 8.160 7.442 -5.050 1.00 0.00 C ATOM 260 CD ARG A 17 7.967 6.963 -6.484 1.00 0.00 C ATOM 261 NE ARG A 17 6.980 5.880 -6.620 1.00 0.00 N ATOM 262 CZ ARG A 17 6.774 5.179 -7.741 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.467 5.448 -8.841 1.00 0.00 N ATOM 264 NH2 ARG A 17 5.875 4.208 -7.761 1.00 0.00 N ATOM 0 H ARG A 17 6.628 6.804 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 17 7.622 4.614 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.180 6.893 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.642 5.946 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.194 7.737 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.789 8.332 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.655 7.806 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.925 6.620 -6.875 1.00 0.00 H new ATOM 0 HE ARG A 17 6.414 5.648 -5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.163 6.194 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.304 4.909 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.338 3.993 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.719 3.675 -8.616 1.00 0.00 H new ATOM 278 N VAL A 18 8.222 4.732 -1.327 1.00 0.00 N ATOM 279 CA VAL A 18 8.764 3.983 -0.181 1.00 0.00 C ATOM 280 C VAL A 18 7.998 2.681 -0.009 1.00 0.00 C ATOM 281 O VAL A 18 8.571 1.646 0.310 1.00 0.00 O ATOM 282 CB VAL A 18 8.658 4.747 1.173 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.867 4.475 2.054 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.453 6.230 0.982 1.00 0.00 C ATOM 0 H VAL A 18 7.593 5.492 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 18 9.818 3.823 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 18 7.772 4.365 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.764 5.022 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.933 3.407 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.772 4.801 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.385 6.716 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.294 6.645 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.531 6.401 0.426 1.00 0.00 H new ATOM 294 N PHE A 19 6.689 2.751 -0.233 1.00 0.00 N ATOM 295 CA PHE A 19 5.820 1.617 0.003 1.00 0.00 C ATOM 296 C PHE A 19 5.789 0.641 -1.188 1.00 0.00 C ATOM 297 O PHE A 19 5.607 -0.564 -0.999 1.00 0.00 O ATOM 298 CB PHE A 19 4.409 2.081 0.371 1.00 0.00 C ATOM 299 CG PHE A 19 4.265 2.493 1.814 1.00 0.00 C ATOM 300 CD1 PHE A 19 3.915 1.559 2.773 1.00 0.00 C ATOM 301 CD2 PHE A 19 4.470 3.802 2.209 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.777 1.922 4.097 1.00 0.00 C ATOM 303 CE2 PHE A 19 4.332 4.175 3.532 1.00 0.00 C ATOM 304 CZ PHE A 19 3.984 3.233 4.477 1.00 0.00 C ATOM 0 H PHE A 19 6.213 3.584 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 19 6.235 1.067 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.134 2.921 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.705 1.276 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.748 0.533 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.742 4.544 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.507 1.181 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.496 5.201 3.825 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.874 3.520 5.512 1.00 0.00 H new ATOM 314 N ASP A 20 5.969 1.163 -2.409 1.00 0.00 N ATOM 315 CA ASP A 20 6.073 0.323 -3.605 1.00 0.00 C ATOM 316 C ASP A 20 7.524 -0.107 -3.796 1.00 0.00 C ATOM 317 O ASP A 20 8.387 0.711 -4.118 1.00 0.00 O ATOM 318 CB ASP A 20 5.563 1.021 -4.884 1.00 0.00 C ATOM 319 CG ASP A 20 5.249 0.031 -6.011 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.997 -0.917 -6.204 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.238 0.160 -6.695 1.00 0.00 O ATOM 0 H ASP A 20 6.045 2.164 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 20 5.432 -0.544 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.666 1.593 -4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.313 1.732 -5.229 1.00 0.00 H new ATOM 326 N LYS A 21 7.769 -1.389 -3.576 1.00 0.00 N ATOM 327 CA LYS A 21 9.102 -1.972 -3.685 1.00 0.00 C ATOM 328 C LYS A 21 9.560 -2.221 -5.125 1.00 0.00 C ATOM 329 O LYS A 21 10.756 -2.197 -5.402 1.00 0.00 O ATOM 330 CB LYS A 21 9.171 -3.269 -2.883 1.00 0.00 C ATOM 331 CG LYS A 21 9.448 -3.034 -1.413 1.00 0.00 C ATOM 332 CD LYS A 21 10.841 -2.466 -1.225 1.00 0.00 C ATOM 333 CE LYS A 21 11.062 -1.952 0.180 1.00 0.00 C ATOM 334 NZ LYS A 21 10.176 -0.803 0.496 1.00 0.00 N ATOM 0 H LYS A 21 7.046 -2.060 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 21 9.789 -1.232 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.229 -3.807 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.951 -3.907 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.709 -2.346 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.352 -3.971 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.579 -3.236 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.000 -1.655 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.881 -2.756 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.103 -1.650 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.208 -0.610 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.498 0.037 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.200 -1.030 0.217 1.00 0.00 H new ATOM 348 N ASP A 22 8.618 -2.459 -6.034 1.00 0.00 N ATOM 349 CA ASP A 22 8.971 -2.798 -7.415 1.00 0.00 C ATOM 350 C ASP A 22 8.812 -1.615 -8.394 1.00 0.00 C ATOM 351 O ASP A 22 9.309 -1.675 -9.520 1.00 0.00 O ATOM 352 CB ASP A 22 8.140 -4.005 -7.892 1.00 0.00 C ATOM 353 CG ASP A 22 6.640 -3.847 -7.674 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.061 -2.901 -8.187 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.027 -4.658 -6.968 1.00 0.00 O ATOM 0 H ASP A 22 7.616 -2.425 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 22 10.030 -3.055 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.328 -4.166 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.481 -4.898 -7.369 1.00 0.00 H new ATOM 360 N GLY A 23 8.158 -0.546 -7.932 1.00 0.00 N ATOM 361 CA GLY A 23 7.943 0.661 -8.727 1.00 0.00 C ATOM 362 C GLY A 23 6.993 0.489 -9.920 1.00 0.00 C ATOM 363 O GLY A 23 7.275 1.013 -10.996 1.00 0.00 O ATOM 0 H GLY A 23 7.762 -0.495 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.548 1.441 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.907 1.012 -9.096 1.00 0.00 H new ATOM 367 N ASN A 24 5.866 -0.225 -9.744 1.00 0.00 N ATOM 368 CA ASN A 24 4.931 -0.451 -10.867 1.00 0.00 C ATOM 369 C ASN A 24 3.671 0.424 -10.786 1.00 0.00 C ATOM 370 O ASN A 24 2.925 0.531 -11.761 1.00 0.00 O ATOM 371 CB ASN A 24 4.539 -1.942 -11.007 1.00 0.00 C ATOM 372 CG ASN A 24 3.555 -2.475 -9.958 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.535 -2.050 -8.798 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.736 -3.427 -10.361 1.00 0.00 N ATOM 0 H ASN A 24 5.583 -0.647 -8.859 1.00 0.00 H new ATOM 0 HA ASN A 24 5.478 -0.153 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.104 -2.093 -11.995 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.448 -2.543 -10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.064 -3.831 -9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.775 -3.759 -11.325 1.00 0.00 H new ATOM 381 N GLY A 25 3.431 1.040 -9.628 1.00 0.00 N ATOM 382 CA GLY A 25 2.249 1.872 -9.454 1.00 0.00 C ATOM 383 C GLY A 25 1.137 1.145 -8.724 1.00 0.00 C ATOM 384 O GLY A 25 -0.021 1.562 -8.767 1.00 0.00 O ATOM 0 H GLY A 25 4.034 0.978 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.518 2.771 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.889 2.196 -10.430 1.00 0.00 H new ATOM 388 N TYR A 26 1.510 0.063 -8.045 1.00 0.00 N ATOM 389 CA TYR A 26 0.588 -0.777 -7.289 1.00 0.00 C ATOM 390 C TYR A 26 1.264 -1.287 -6.036 1.00 0.00 C ATOM 391 O TYR A 26 2.372 -1.813 -6.102 1.00 0.00 O ATOM 392 CB TYR A 26 0.164 -2.009 -8.093 1.00 0.00 C ATOM 393 CG TYR A 26 -0.719 -1.727 -9.273 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.046 -1.418 -9.080 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.229 -1.766 -10.566 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.869 -1.152 -10.141 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.048 -1.498 -11.643 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.375 -1.190 -11.422 1.00 0.00 C ATOM 399 OH TYR A 26 -3.209 -0.916 -12.484 1.00 0.00 O ATOM 0 H TYR A 26 2.477 -0.259 -8.005 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.282 -0.163 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.060 -2.521 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.356 -2.697 -7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.444 -1.385 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.810 -2.010 -10.735 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.908 -0.912 -9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.655 -1.529 -12.648 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.705 -0.984 -13.322 1.00 0.00 H new ATOM 409 N ILE A 27 0.607 -1.148 -4.910 1.00 0.00 N ATOM 410 CA ILE A 27 1.078 -1.749 -3.680 1.00 0.00 C ATOM 411 C ILE A 27 0.247 -2.990 -3.405 1.00 0.00 C ATOM 412 O ILE A 27 -0.919 -2.905 -3.020 1.00 0.00 O ATOM 413 CB ILE A 27 1.017 -0.769 -2.478 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.812 0.498 -2.800 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.563 -1.428 -1.209 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.598 1.618 -1.815 1.00 0.00 C ATOM 0 H ILE A 27 -0.261 -0.621 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 27 2.128 -2.013 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.025 -0.503 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.873 0.252 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.537 0.845 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.510 -0.722 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.968 -2.310 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.600 -1.722 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.194 2.481 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.543 1.893 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.901 1.291 -0.820 1.00 0.00 H new ATOM 428 N SER A 28 0.847 -4.143 -3.662 1.00 0.00 N ATOM 429 CA SER A 28 0.222 -5.423 -3.387 1.00 0.00 C ATOM 430 C SER A 28 0.366 -5.771 -1.898 1.00 0.00 C ATOM 431 O SER A 28 1.049 -5.062 -1.154 1.00 0.00 O ATOM 432 CB SER A 28 0.877 -6.497 -4.262 1.00 0.00 C ATOM 433 OG SER A 28 0.864 -6.114 -5.630 1.00 0.00 O ATOM 0 H SER A 28 1.780 -4.215 -4.067 1.00 0.00 H new ATOM 0 HA SER A 28 -0.842 -5.373 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.904 -6.661 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.349 -7.443 -4.140 1.00 0.00 H new ATOM 0 HG SER A 28 1.288 -6.813 -6.170 1.00 0.00 H new ATOM 439 N ALA A 29 -0.274 -6.865 -1.474 1.00 0.00 N ATOM 440 CA ALA A 29 -0.227 -7.302 -0.077 1.00 0.00 C ATOM 441 C ALA A 29 1.168 -7.781 0.316 1.00 0.00 C ATOM 442 O ALA A 29 1.617 -7.501 1.414 1.00 0.00 O ATOM 443 CB ALA A 29 -1.252 -8.392 0.174 1.00 0.00 C ATOM 0 H ALA A 29 -0.832 -7.465 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.469 -6.441 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.203 -8.705 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.250 -8.011 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.041 -9.245 -0.471 1.00 0.00 H new ATOM 449 N ALA A 30 1.863 -8.451 -0.607 1.00 0.00 N ATOM 450 CA ALA A 30 3.238 -8.908 -0.367 1.00 0.00 C ATOM 451 C ALA A 30 4.215 -7.731 -0.226 1.00 0.00 C ATOM 452 O ALA A 30 5.199 -7.831 0.504 1.00 0.00 O ATOM 453 CB ALA A 30 3.687 -9.834 -1.480 1.00 0.00 C ATOM 0 H ALA A 30 1.497 -8.690 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 30 3.243 -9.454 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.708 -10.165 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.027 -10.700 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.650 -9.304 -2.432 1.00 0.00 H new ATOM 459 N GLU A 31 3.910 -6.611 -0.900 1.00 0.00 N ATOM 460 CA GLU A 31 4.732 -5.399 -0.833 1.00 0.00 C ATOM 461 C GLU A 31 4.532 -4.660 0.475 1.00 0.00 C ATOM 462 O GLU A 31 5.505 -4.326 1.143 1.00 0.00 O ATOM 463 CB GLU A 31 4.402 -4.445 -1.974 1.00 0.00 C ATOM 464 CG GLU A 31 4.714 -4.996 -3.336 1.00 0.00 C ATOM 465 CD GLU A 31 4.457 -3.980 -4.411 1.00 0.00 C ATOM 466 OE1 GLU A 31 5.198 -2.997 -4.498 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.517 -4.149 -5.189 1.00 0.00 O ATOM 0 H GLU A 31 3.091 -6.523 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 31 5.769 -5.726 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.343 -4.192 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.957 -3.518 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.757 -5.310 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.107 -5.883 -3.519 1.00 0.00 H new ATOM 474 N LEU A 32 3.259 -4.425 0.835 1.00 0.00 N ATOM 475 CA LEU A 32 2.901 -3.688 2.047 1.00 0.00 C ATOM 476 C LEU A 32 3.352 -4.447 3.291 1.00 0.00 C ATOM 477 O LEU A 32 3.832 -3.840 4.235 1.00 0.00 O ATOM 478 CB LEU A 32 1.390 -3.445 2.109 1.00 0.00 C ATOM 479 CG LEU A 32 0.936 -2.502 3.230 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.346 -1.071 2.928 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.559 -2.596 3.452 1.00 0.00 C ATOM 0 H LEU A 32 2.455 -4.742 0.292 1.00 0.00 H new ATOM 0 HA LEU A 32 3.411 -2.725 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.063 -3.035 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.887 -4.404 2.234 1.00 0.00 H new ATOM 0 HG LEU A 32 1.431 -2.813 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.014 -0.419 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.431 -1.014 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.888 -0.751 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.851 -1.916 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.081 -2.323 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.822 -3.617 3.729 1.00 0.00 H new ATOM 493 N ARG A 33 3.245 -5.779 3.238 1.00 0.00 N ATOM 494 CA ARG A 33 3.685 -6.666 4.318 1.00 0.00 C ATOM 495 C ARG A 33 5.181 -6.549 4.543 1.00 0.00 C ATOM 496 O ARG A 33 5.637 -6.449 5.684 1.00 0.00 O ATOM 497 CB ARG A 33 3.337 -8.112 3.970 1.00 0.00 C ATOM 498 CG ARG A 33 3.884 -9.133 4.941 1.00 0.00 C ATOM 499 CD ARG A 33 3.540 -10.530 4.509 1.00 0.00 C ATOM 500 NE ARG A 33 4.081 -10.876 3.191 1.00 0.00 N ATOM 501 CZ ARG A 33 5.169 -11.626 2.991 1.00 0.00 C ATOM 502 NH1 ARG A 33 5.906 -12.038 4.022 1.00 0.00 N ATOM 503 NH2 ARG A 33 5.525 -11.949 1.754 1.00 0.00 N ATOM 0 H ARG A 33 2.848 -6.274 2.439 1.00 0.00 H new ATOM 0 HA ARG A 33 3.172 -6.370 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.252 -8.213 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.717 -8.335 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.967 -9.028 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.479 -8.947 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.920 -11.236 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.456 -10.641 4.490 1.00 0.00 H new ATOM 0 HE ARG A 33 3.593 -10.519 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.641 -11.781 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.735 -12.610 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.969 -11.625 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.354 -12.521 1.595 1.00 0.00 H new ATOM 517 N HIS A 34 5.915 -6.535 3.431 1.00 0.00 N ATOM 518 CA HIS A 34 7.362 -6.486 3.447 1.00 0.00 C ATOM 519 C HIS A 34 7.838 -5.163 4.090 1.00 0.00 C ATOM 520 O HIS A 34 8.764 -5.157 4.900 1.00 0.00 O ATOM 521 CB HIS A 34 7.890 -6.611 2.003 1.00 0.00 C ATOM 522 CG HIS A 34 9.342 -6.978 1.855 1.00 0.00 C ATOM 523 ND1 HIS A 34 9.750 -8.146 1.261 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.474 -6.302 2.160 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.064 -8.185 1.216 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.530 -7.075 1.751 1.00 0.00 N ATOM 0 H HIS A 34 5.513 -6.558 2.494 1.00 0.00 H new ATOM 0 HA HIS A 34 7.752 -7.313 4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.293 -7.360 1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.723 -5.662 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.534 -5.335 2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.659 -8.990 0.810 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.516 -6.830 1.846 1.00 0.00 H new ATOM 535 N VAL A 35 7.154 -4.061 3.732 1.00 0.00 N ATOM 536 CA VAL A 35 7.451 -2.725 4.259 1.00 0.00 C ATOM 537 C VAL A 35 7.147 -2.644 5.762 1.00 0.00 C ATOM 538 O VAL A 35 7.989 -2.181 6.522 1.00 0.00 O ATOM 539 CB VAL A 35 6.674 -1.611 3.486 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.954 -0.224 4.049 1.00 0.00 C ATOM 541 CG2 VAL A 35 7.027 -1.630 2.009 1.00 0.00 C ATOM 0 H VAL A 35 6.380 -4.076 3.068 1.00 0.00 H new ATOM 0 HA VAL A 35 8.517 -2.552 4.111 1.00 0.00 H new ATOM 0 HB VAL A 35 5.613 -1.826 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.393 0.519 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.649 -0.188 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.020 -0.009 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.474 -0.846 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.097 -1.459 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.764 -2.599 1.585 1.00 0.00 H new ATOM 551 N MET A 36 5.974 -3.153 6.177 1.00 0.00 N ATOM 552 CA MET A 36 5.540 -3.115 7.589 1.00 0.00 C ATOM 553 C MET A 36 6.494 -3.876 8.514 1.00 0.00 C ATOM 554 O MET A 36 6.800 -3.410 9.606 1.00 0.00 O ATOM 555 CB MET A 36 4.127 -3.688 7.747 1.00 0.00 C ATOM 556 CG MET A 36 3.032 -2.851 7.108 1.00 0.00 C ATOM 557 SD MET A 36 2.981 -1.154 7.697 1.00 0.00 S ATOM 558 CE MET A 36 1.658 -0.514 6.679 1.00 0.00 C ATOM 0 H MET A 36 5.303 -3.599 5.551 1.00 0.00 H new ATOM 0 HA MET A 36 5.546 -2.065 7.880 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.103 -4.687 7.312 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.910 -3.797 8.810 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.174 -2.847 6.027 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.068 -3.322 7.301 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.103 0.241 7.236 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.077 -0.066 5.778 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.986 -1.327 6.402 1.00 0.00 H new ATOM 568 N THR A 37 6.991 -5.022 8.044 1.00 0.00 N ATOM 569 CA THR A 37 7.925 -5.858 8.807 1.00 0.00 C ATOM 570 C THR A 37 9.315 -5.188 8.930 1.00 0.00 C ATOM 571 O THR A 37 9.993 -5.340 9.944 1.00 0.00 O ATOM 572 CB THR A 37 8.033 -7.262 8.155 1.00 0.00 C ATOM 573 OG1 THR A 37 6.717 -7.809 7.988 1.00 0.00 O ATOM 574 CG2 THR A 37 8.860 -8.234 8.989 1.00 0.00 C ATOM 0 H THR A 37 6.759 -5.398 7.125 1.00 0.00 H new ATOM 0 HA THR A 37 7.536 -5.973 9.819 1.00 0.00 H new ATOM 0 HB THR A 37 8.534 -7.133 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.283 -7.388 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.902 -9.200 8.486 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.870 -7.842 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.399 -8.355 9.969 1.00 0.00 H new ATOM 582 N ASN A 38 9.697 -4.399 7.921 1.00 0.00 N ATOM 583 CA ASN A 38 10.968 -3.650 7.942 1.00 0.00 C ATOM 584 C ASN A 38 10.881 -2.400 8.828 1.00 0.00 C ATOM 585 O ASN A 38 11.885 -1.961 9.393 1.00 0.00 O ATOM 586 CB ASN A 38 11.372 -3.228 6.530 1.00 0.00 C ATOM 587 CG ASN A 38 12.086 -4.317 5.731 1.00 0.00 C ATOM 588 OD1 ASN A 38 12.935 -4.017 4.895 1.00 0.00 O ATOM 589 ND2 ASN A 38 11.740 -5.578 5.951 1.00 0.00 N ATOM 0 H ASN A 38 9.146 -4.259 7.074 1.00 0.00 H new ATOM 0 HA ASN A 38 11.720 -4.321 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.479 -2.920 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.022 -2.356 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.182 -6.328 5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.032 -5.798 6.652 1.00 0.00 H new ATOM 596 N LEU A 39 9.666 -1.848 8.947 1.00 0.00 N ATOM 597 CA LEU A 39 9.391 -0.688 9.805 1.00 0.00 C ATOM 598 C LEU A 39 9.388 -1.076 11.284 1.00 0.00 C ATOM 599 O LEU A 39 9.500 -0.216 12.158 1.00 0.00 O ATOM 600 CB LEU A 39 8.036 -0.064 9.436 1.00 0.00 C ATOM 601 CG LEU A 39 7.963 0.582 8.048 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.525 0.907 7.680 1.00 0.00 C ATOM 603 CD2 LEU A 39 8.810 1.842 7.997 1.00 0.00 C ATOM 0 H LEU A 39 8.845 -2.194 8.450 1.00 0.00 H new ATOM 0 HA LEU A 39 10.186 0.040 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.271 -0.837 9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.788 0.691 10.182 1.00 0.00 H new ATOM 0 HG LEU A 39 8.355 -0.133 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.497 1.365 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.935 -0.010 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.110 1.600 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.744 2.285 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.446 2.555 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.848 1.591 8.214 1.00 0.00 H new ATOM 615 N GLY A 40 9.261 -2.378 11.549 1.00 0.00 N ATOM 616 CA GLY A 40 9.237 -2.874 12.909 1.00 0.00 C ATOM 617 C GLY A 40 7.840 -3.132 13.405 1.00 0.00 C ATOM 618 O GLY A 40 7.654 -3.614 14.522 1.00 0.00 O ATOM 0 H GLY A 40 9.174 -3.100 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.815 -3.796 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.724 -2.152 13.564 1.00 0.00 H new ATOM 622 N GLU A 41 6.859 -2.818 12.560 1.00 0.00 N ATOM 623 CA GLU A 41 5.455 -3.066 12.871 1.00 0.00 C ATOM 624 C GLU A 41 5.165 -4.560 12.783 1.00 0.00 C ATOM 625 O GLU A 41 4.402 -5.086 13.594 1.00 0.00 O ATOM 626 CB GLU A 41 4.550 -2.276 11.924 1.00 0.00 C ATOM 627 CG GLU A 41 4.645 -0.774 12.120 1.00 0.00 C ATOM 628 CD GLU A 41 3.783 -0.006 11.146 1.00 0.00 C ATOM 629 OE1 GLU A 41 2.545 -0.113 11.233 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.340 0.713 10.296 1.00 0.00 O ATOM 0 H GLU A 41 7.014 -2.388 11.648 1.00 0.00 H new ATOM 0 HA GLU A 41 5.249 -2.731 13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.812 -2.519 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.517 -2.591 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.347 -0.525 13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.683 -0.461 12.006 1.00 0.00 H new ATOM 637 N LYS A 42 5.835 -5.211 11.806 1.00 0.00 N ATOM 638 CA LYS A 42 5.809 -6.662 11.589 1.00 0.00 C ATOM 639 C LYS A 42 4.367 -7.162 11.454 1.00 0.00 C ATOM 640 O LYS A 42 3.818 -7.810 12.345 1.00 0.00 O ATOM 641 CB LYS A 42 6.586 -7.387 12.705 1.00 0.00 C ATOM 642 CG LYS A 42 6.883 -8.854 12.433 1.00 0.00 C ATOM 643 CD LYS A 42 7.528 -9.506 13.641 1.00 0.00 C ATOM 644 CE LYS A 42 7.328 -11.016 13.671 1.00 0.00 C ATOM 645 NZ LYS A 42 7.997 -11.713 12.544 1.00 0.00 N ATOM 0 H LYS A 42 6.423 -4.721 11.132 1.00 0.00 H new ATOM 0 HA LYS A 42 6.311 -6.892 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.529 -6.865 12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.016 -7.313 13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.960 -9.376 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.544 -8.942 11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.595 -9.285 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.112 -9.070 14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.711 -11.409 14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.261 -11.236 13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.826 -12.736 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.615 -11.362 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.020 -11.530 12.581 1.00 0.00 H new ATOM 659 N LEU A 43 3.741 -6.771 10.359 1.00 0.00 N ATOM 660 CA LEU A 43 2.349 -7.082 10.132 1.00 0.00 C ATOM 661 C LEU A 43 2.261 -8.378 9.331 1.00 0.00 C ATOM 662 O LEU A 43 2.958 -8.534 8.320 1.00 0.00 O ATOM 663 CB LEU A 43 1.680 -5.918 9.398 1.00 0.00 C ATOM 664 CG LEU A 43 0.183 -5.734 9.646 1.00 0.00 C ATOM 665 CD1 LEU A 43 -0.078 -5.379 11.103 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.370 -4.653 8.737 1.00 0.00 C ATOM 0 H LEU A 43 4.181 -6.235 9.611 1.00 0.00 H new ATOM 0 HA LEU A 43 1.826 -7.224 11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.190 -4.997 9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.836 -6.053 8.328 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.322 -6.674 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.149 -5.252 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.290 -6.180 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.438 -4.451 11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.437 -4.532 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.143 -3.712 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.214 -4.937 7.696 1.00 0.00 H new ATOM 678 N THR A 44 1.441 -9.310 9.808 1.00 0.00 N ATOM 679 CA THR A 44 1.358 -10.643 9.237 1.00 0.00 C ATOM 680 C THR A 44 0.469 -10.628 7.992 1.00 0.00 C ATOM 681 O THR A 44 -0.284 -9.686 7.795 1.00 0.00 O ATOM 682 CB THR A 44 0.794 -11.617 10.289 1.00 0.00 C ATOM 683 OG1 THR A 44 1.213 -11.213 11.597 1.00 0.00 O ATOM 684 CG2 THR A 44 1.260 -13.037 10.061 1.00 0.00 C ATOM 0 H THR A 44 0.817 -9.159 10.601 1.00 0.00 H new ATOM 0 HA THR A 44 2.354 -10.974 8.944 1.00 0.00 H new ATOM 0 HB THR A 44 -0.292 -11.589 10.199 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.457 -10.808 12.072 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.837 -13.686 10.827 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.932 -13.374 9.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.348 -13.076 10.113 1.00 0.00 H new ATOM 692 N ASP A 45 0.580 -11.681 7.180 1.00 0.00 N ATOM 693 CA ASP A 45 -0.093 -11.822 5.880 1.00 0.00 C ATOM 694 C ASP A 45 -1.610 -11.554 5.916 1.00 0.00 C ATOM 695 O ASP A 45 -2.136 -10.885 5.028 1.00 0.00 O ATOM 696 CB ASP A 45 0.175 -13.233 5.357 1.00 0.00 C ATOM 697 CG ASP A 45 -0.383 -13.474 3.970 1.00 0.00 C ATOM 698 OD1 ASP A 45 0.237 -13.015 2.992 1.00 0.00 O ATOM 699 OD2 ASP A 45 -1.435 -14.141 3.856 1.00 0.00 O ATOM 0 H ASP A 45 1.159 -12.488 7.414 1.00 0.00 H new ATOM 0 HA ASP A 45 0.318 -11.058 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.250 -13.410 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.259 -13.957 6.047 1.00 0.00 H new ATOM 704 N GLU A 46 -2.290 -12.048 6.955 1.00 0.00 N ATOM 705 CA GLU A 46 -3.743 -11.876 7.088 1.00 0.00 C ATOM 706 C GLU A 46 -4.121 -10.469 7.565 1.00 0.00 C ATOM 707 O GLU A 46 -5.191 -9.972 7.229 1.00 0.00 O ATOM 708 CB GLU A 46 -4.319 -12.920 8.045 1.00 0.00 C ATOM 709 CG GLU A 46 -4.230 -14.345 7.523 1.00 0.00 C ATOM 710 CD GLU A 46 -4.875 -15.347 8.457 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.107 -15.510 8.400 1.00 0.00 O ATOM 712 OE2 GLU A 46 -4.153 -15.983 9.245 1.00 0.00 O ATOM 0 H GLU A 46 -1.859 -12.571 7.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.172 -12.014 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.791 -12.858 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.364 -12.680 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.711 -14.401 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.183 -14.610 7.378 1.00 0.00 H new ATOM 719 N GLU A 47 -3.239 -9.835 8.334 1.00 0.00 N ATOM 720 CA GLU A 47 -3.462 -8.478 8.829 1.00 0.00 C ATOM 721 C GLU A 47 -3.153 -7.434 7.750 1.00 0.00 C ATOM 722 O GLU A 47 -3.764 -6.366 7.718 1.00 0.00 O ATOM 723 CB GLU A 47 -2.619 -8.218 10.085 1.00 0.00 C ATOM 724 CG GLU A 47 -3.053 -9.027 11.298 1.00 0.00 C ATOM 725 CD GLU A 47 -2.196 -10.248 11.541 1.00 0.00 C ATOM 726 OE1 GLU A 47 -2.393 -11.282 10.862 1.00 0.00 O ATOM 727 OE2 GLU A 47 -1.315 -10.173 12.417 1.00 0.00 O ATOM 0 H GLU A 47 -2.353 -10.245 8.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.516 -8.387 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.576 -8.445 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.669 -7.157 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.023 -8.389 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.089 -9.339 11.166 1.00 0.00 H new ATOM 734 N VAL A 48 -2.208 -7.763 6.860 1.00 0.00 N ATOM 735 CA VAL A 48 -1.897 -6.929 5.701 1.00 0.00 C ATOM 736 C VAL A 48 -2.990 -7.083 4.642 1.00 0.00 C ATOM 737 O VAL A 48 -3.294 -6.137 3.938 1.00 0.00 O ATOM 738 CB VAL A 48 -0.508 -7.270 5.093 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.196 -6.407 3.887 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.584 -7.095 6.118 1.00 0.00 C ATOM 0 H VAL A 48 -1.643 -8.610 6.925 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.858 -5.893 6.039 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.550 -8.312 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.783 -6.676 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.954 -6.566 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.193 -5.358 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.547 -7.339 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.597 -6.061 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.399 -7.758 6.963 1.00 0.00 H new ATOM 750 N ASP A 49 -3.597 -8.272 4.577 1.00 0.00 N ATOM 751 CA ASP A 49 -4.757 -8.539 3.715 1.00 0.00 C ATOM 752 C ASP A 49 -5.918 -7.581 4.035 1.00 0.00 C ATOM 753 O ASP A 49 -6.568 -7.050 3.129 1.00 0.00 O ATOM 754 CB ASP A 49 -5.194 -9.996 3.903 1.00 0.00 C ATOM 755 CG ASP A 49 -6.406 -10.373 3.081 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.263 -10.556 1.860 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.497 -10.507 3.662 1.00 0.00 O ATOM 0 H ASP A 49 -3.298 -9.081 5.122 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.473 -8.373 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.366 -10.653 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.412 -10.169 4.957 1.00 0.00 H new ATOM 762 N GLU A 50 -6.117 -7.324 5.336 1.00 0.00 N ATOM 763 CA GLU A 50 -7.126 -6.376 5.812 1.00 0.00 C ATOM 764 C GLU A 50 -6.707 -4.931 5.536 1.00 0.00 C ATOM 765 O GLU A 50 -7.531 -4.110 5.161 1.00 0.00 O ATOM 766 CB GLU A 50 -7.354 -6.540 7.310 1.00 0.00 C ATOM 767 CG GLU A 50 -7.676 -7.960 7.734 1.00 0.00 C ATOM 768 CD GLU A 50 -8.081 -8.066 9.189 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.539 -7.316 10.025 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.944 -8.906 9.504 1.00 0.00 O ATOM 0 H GLU A 50 -5.583 -7.768 6.083 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.048 -6.591 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.463 -6.207 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.171 -5.886 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.482 -8.346 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.806 -8.592 7.558 1.00 0.00 H new ATOM 777 N MET A 51 -5.411 -4.639 5.696 1.00 0.00 N ATOM 778 CA MET A 51 -4.866 -3.288 5.464 1.00 0.00 C ATOM 779 C MET A 51 -4.886 -2.908 3.990 1.00 0.00 C ATOM 780 O MET A 51 -4.924 -1.731 3.663 1.00 0.00 O ATOM 781 CB MET A 51 -3.437 -3.174 5.993 1.00 0.00 C ATOM 782 CG MET A 51 -3.359 -2.963 7.487 1.00 0.00 C ATOM 783 SD MET A 51 -4.046 -1.380 8.019 1.00 0.00 S ATOM 784 CE MET A 51 -2.957 -0.223 7.187 1.00 0.00 C ATOM 0 H MET A 51 -4.712 -5.323 5.987 1.00 0.00 H new ATOM 0 HA MET A 51 -5.511 -2.597 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.889 -4.080 5.734 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.938 -2.345 5.491 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.892 -3.770 7.990 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.317 -3.024 7.802 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.028 0.753 7.667 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.930 -0.583 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.250 -0.136 6.141 1.00 0.00 H new ATOM 794 N ILE A 52 -4.838 -3.912 3.126 1.00 0.00 N ATOM 795 CA ILE A 52 -4.998 -3.721 1.693 1.00 0.00 C ATOM 796 C ILE A 52 -6.431 -3.328 1.357 1.00 0.00 C ATOM 797 O ILE A 52 -6.622 -2.315 0.727 1.00 0.00 O ATOM 798 CB ILE A 52 -4.555 -4.980 0.883 1.00 0.00 C ATOM 799 CG1 ILE A 52 -3.028 -5.141 0.931 1.00 0.00 C ATOM 800 CG2 ILE A 52 -5.033 -4.947 -0.569 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.239 -3.973 0.349 1.00 0.00 C ATOM 0 H ILE A 52 -4.687 -4.883 3.400 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.340 -2.904 1.397 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.028 -5.840 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.725 -5.284 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.756 -6.048 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.696 -5.847 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.122 -4.902 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.622 -4.069 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.172 -4.180 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.506 -3.840 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.475 -3.063 0.902 1.00 0.00 H new ATOM 813 N ARG A 53 -7.428 -4.094 1.825 1.00 0.00 N ATOM 814 CA ARG A 53 -8.827 -3.854 1.428 1.00 0.00 C ATOM 815 C ARG A 53 -9.459 -2.644 2.125 1.00 0.00 C ATOM 816 O ARG A 53 -10.377 -2.031 1.585 1.00 0.00 O ATOM 817 CB ARG A 53 -9.699 -5.099 1.627 1.00 0.00 C ATOM 818 CG ARG A 53 -9.576 -5.781 2.984 1.00 0.00 C ATOM 819 CD ARG A 53 -10.574 -6.921 3.141 1.00 0.00 C ATOM 820 NE ARG A 53 -10.743 -7.695 1.903 1.00 0.00 N ATOM 821 CZ ARG A 53 -10.644 -9.021 1.801 1.00 0.00 C ATOM 822 NH1 ARG A 53 -10.346 -9.767 2.858 1.00 0.00 N ATOM 823 NH2 ARG A 53 -10.836 -9.601 0.625 1.00 0.00 N ATOM 0 H ARG A 53 -7.297 -4.874 2.469 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.787 -3.623 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.741 -4.818 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.448 -5.824 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.564 -6.166 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.736 -5.048 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.240 -7.585 3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.539 -6.516 3.447 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.953 -7.175 1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.189 -9.327 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.274 -10.780 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.058 -9.034 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.762 -10.615 0.538 1.00 0.00 H new ATOM 837 N GLU A 54 -8.951 -2.283 3.302 1.00 0.00 N ATOM 838 CA GLU A 54 -9.386 -1.068 4.000 1.00 0.00 C ATOM 839 C GLU A 54 -8.705 0.182 3.414 1.00 0.00 C ATOM 840 O GLU A 54 -9.050 1.316 3.756 1.00 0.00 O ATOM 841 CB GLU A 54 -9.134 -1.187 5.512 1.00 0.00 C ATOM 842 CG GLU A 54 -10.306 -1.783 6.306 1.00 0.00 C ATOM 843 CD GLU A 54 -10.647 -3.230 5.975 1.00 0.00 C ATOM 844 OE1 GLU A 54 -11.455 -3.461 5.053 1.00 0.00 O ATOM 845 OE2 GLU A 54 -10.141 -4.145 6.661 1.00 0.00 O ATOM 0 H GLU A 54 -8.235 -2.815 3.796 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.460 -0.957 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.251 -1.805 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.908 -0.197 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.075 -1.715 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.190 -1.170 6.132 1.00 0.00 H new ATOM 852 N ALA A 55 -7.732 -0.047 2.534 1.00 0.00 N ATOM 853 CA ALA A 55 -7.054 1.012 1.797 1.00 0.00 C ATOM 854 C ALA A 55 -7.488 1.036 0.327 1.00 0.00 C ATOM 855 O ALA A 55 -7.248 2.013 -0.388 1.00 0.00 O ATOM 856 CB ALA A 55 -5.558 0.795 1.872 1.00 0.00 C ATOM 0 H ALA A 55 -7.391 -0.982 2.312 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.322 1.967 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.048 1.585 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.239 0.814 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.308 -0.171 1.434 1.00 0.00 H new ATOM 862 N ASP A 56 -8.128 -0.047 -0.106 1.00 0.00 N ATOM 863 CA ASP A 56 -8.445 -0.258 -1.505 1.00 0.00 C ATOM 864 C ASP A 56 -9.892 0.119 -1.773 1.00 0.00 C ATOM 865 O ASP A 56 -10.823 -0.407 -1.150 1.00 0.00 O ATOM 866 CB ASP A 56 -8.186 -1.718 -1.899 1.00 0.00 C ATOM 867 CG ASP A 56 -7.883 -1.877 -3.369 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.773 -1.563 -3.789 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.757 -2.291 -4.122 1.00 0.00 O ATOM 0 H ASP A 56 -8.439 -0.800 0.508 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.800 0.378 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.351 -2.105 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.059 -2.320 -1.644 1.00 0.00 H new ATOM 874 N ILE A 57 -10.057 1.054 -2.684 1.00 0.00 N ATOM 875 CA ILE A 57 -11.348 1.629 -3.020 1.00 0.00 C ATOM 876 C ILE A 57 -12.141 0.703 -3.955 1.00 0.00 C ATOM 877 O ILE A 57 -13.335 0.490 -3.755 1.00 0.00 O ATOM 878 CB ILE A 57 -11.162 3.026 -3.683 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.253 3.923 -2.818 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.509 3.710 -3.912 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.814 5.199 -3.505 1.00 0.00 C ATOM 0 H ILE A 57 -9.285 1.445 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.914 1.746 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.686 2.873 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.781 4.180 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.369 3.355 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.349 4.683 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.124 3.093 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.017 3.843 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.178 5.774 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.256 4.952 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.691 5.790 -3.770 1.00 0.00 H new ATOM 893 N ASP A 58 -11.462 0.132 -4.951 1.00 0.00 N ATOM 894 CA ASP A 58 -12.151 -0.613 -6.011 1.00 0.00 C ATOM 895 C ASP A 58 -12.269 -2.128 -5.719 1.00 0.00 C ATOM 896 O ASP A 58 -13.042 -2.820 -6.382 1.00 0.00 O ATOM 897 CB ASP A 58 -11.415 -0.382 -7.365 1.00 0.00 C ATOM 898 CG ASP A 58 -9.929 -0.725 -7.338 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.572 -1.773 -6.841 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.093 0.063 -7.799 1.00 0.00 O ATOM 0 H ASP A 58 -10.447 0.169 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.171 -0.232 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.900 -0.981 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.530 0.663 -7.654 1.00 0.00 H new ATOM 905 N GLY A 59 -11.547 -2.612 -4.703 1.00 0.00 N ATOM 906 CA GLY A 59 -11.553 -4.030 -4.327 1.00 0.00 C ATOM 907 C GLY A 59 -10.899 -4.972 -5.348 1.00 0.00 C ATOM 908 O GLY A 59 -11.557 -5.895 -5.834 1.00 0.00 O ATOM 0 H GLY A 59 -10.943 -2.033 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.039 -4.140 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.585 -4.346 -4.172 1.00 0.00 H new ATOM 912 N ASP A 60 -9.615 -4.757 -5.670 1.00 0.00 N ATOM 913 CA ASP A 60 -8.877 -5.640 -6.607 1.00 0.00 C ATOM 914 C ASP A 60 -7.728 -6.394 -5.926 1.00 0.00 C ATOM 915 O ASP A 60 -7.215 -7.369 -6.473 1.00 0.00 O ATOM 916 CB ASP A 60 -8.324 -4.852 -7.825 1.00 0.00 C ATOM 917 CG ASP A 60 -7.447 -3.650 -7.465 1.00 0.00 C ATOM 918 OD1 ASP A 60 -7.089 -3.485 -6.311 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.179 -2.807 -8.324 1.00 0.00 O ATOM 0 H ASP A 60 -9.061 -3.984 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.606 -6.372 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.745 -5.533 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.164 -4.505 -8.427 1.00 0.00 H new ATOM 924 N GLY A 61 -7.329 -5.931 -4.741 1.00 0.00 N ATOM 925 CA GLY A 61 -6.203 -6.529 -4.040 1.00 0.00 C ATOM 926 C GLY A 61 -4.883 -5.766 -4.204 1.00 0.00 C ATOM 927 O GLY A 61 -3.890 -6.110 -3.554 1.00 0.00 O ATOM 0 H GLY A 61 -7.768 -5.150 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.443 -6.593 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.067 -7.549 -4.398 1.00 0.00 H new ATOM 931 N GLN A 62 -4.845 -4.753 -5.081 1.00 0.00 N ATOM 932 CA GLN A 62 -3.655 -3.909 -5.234 1.00 0.00 C ATOM 933 C GLN A 62 -4.035 -2.429 -5.180 1.00 0.00 C ATOM 934 O GLN A 62 -4.915 -1.946 -5.906 1.00 0.00 O ATOM 935 CB GLN A 62 -2.903 -4.147 -6.542 1.00 0.00 C ATOM 936 CG GLN A 62 -2.709 -5.606 -6.940 1.00 0.00 C ATOM 937 CD GLN A 62 -1.780 -5.782 -8.132 1.00 0.00 C ATOM 938 OE1 GLN A 62 -0.828 -5.033 -8.312 1.00 0.00 O ATOM 939 NE2 GLN A 62 -2.063 -6.760 -8.968 1.00 0.00 N ATOM 0 H GLN A 62 -5.622 -4.500 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.000 -4.182 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.438 -3.639 -7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.922 -3.677 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.308 -6.158 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.679 -6.044 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.863 -7.367 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.482 -6.910 -9.793 1.00 0.00 H new ATOM 948 N VAL A 63 -3.288 -1.717 -4.382 1.00 0.00 N ATOM 949 CA VAL A 63 -3.567 -0.339 -4.033 1.00 0.00 C ATOM 950 C VAL A 63 -2.823 0.572 -5.000 1.00 0.00 C ATOM 951 O VAL A 63 -1.596 0.648 -4.976 1.00 0.00 O ATOM 952 CB VAL A 63 -3.143 -0.059 -2.553 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.412 1.379 -2.142 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.864 -1.004 -1.596 1.00 0.00 C ATOM 0 H VAL A 63 -2.444 -2.083 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.636 -0.144 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.068 -0.232 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.102 1.526 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.850 2.053 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.477 1.591 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.554 -0.792 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.941 -0.861 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.613 -2.035 -1.845 1.00 0.00 H new ATOM 964 N ASN A 64 -3.575 1.240 -5.873 1.00 0.00 N ATOM 965 CA ASN A 64 -2.998 2.132 -6.889 1.00 0.00 C ATOM 966 C ASN A 64 -2.525 3.431 -6.234 1.00 0.00 C ATOM 967 O ASN A 64 -2.598 3.587 -5.013 1.00 0.00 O ATOM 968 CB ASN A 64 -4.007 2.523 -7.995 1.00 0.00 C ATOM 969 CG ASN A 64 -5.020 1.469 -8.417 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.809 0.269 -8.309 1.00 0.00 O ATOM 971 ND2 ASN A 64 -6.149 1.933 -8.925 1.00 0.00 N ATOM 0 H ASN A 64 -4.593 1.182 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.175 1.578 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.555 3.402 -7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.442 2.821 -8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.871 1.285 -9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.298 2.939 -9.003 1.00 0.00 H new ATOM 978 N TYR A 65 -2.081 4.382 -7.056 1.00 0.00 N ATOM 979 CA TYR A 65 -1.682 5.697 -6.563 1.00 0.00 C ATOM 980 C TYR A 65 -2.887 6.448 -5.965 1.00 0.00 C ATOM 981 O TYR A 65 -2.782 7.016 -4.881 1.00 0.00 O ATOM 982 CB TYR A 65 -1.002 6.502 -7.691 1.00 0.00 C ATOM 983 CG TYR A 65 -0.916 7.993 -7.429 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.064 8.513 -6.461 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.728 8.877 -8.131 1.00 0.00 C ATOM 986 CE1 TYR A 65 -0.033 9.866 -6.200 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.690 10.227 -7.881 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.849 10.718 -6.917 1.00 0.00 C ATOM 989 OH TYR A 65 -0.843 12.065 -6.656 1.00 0.00 O ATOM 0 H TYR A 65 -1.989 4.265 -8.065 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.956 5.569 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.005 6.113 -7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.550 6.339 -8.619 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.582 7.848 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.400 8.496 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.626 10.257 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.321 10.900 -8.443 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.476 12.517 -7.253 1.00 0.00 H new ATOM 999 N GLU A 66 -4.027 6.406 -6.672 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.272 7.050 -6.223 1.00 0.00 C ATOM 1001 C GLU A 66 -5.782 6.469 -4.892 1.00 0.00 C ATOM 1002 O GLU A 66 -6.253 7.205 -4.029 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.354 6.930 -7.310 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.609 5.506 -7.802 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.763 5.411 -8.772 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -7.536 5.555 -9.987 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.900 5.166 -8.324 1.00 0.00 O ATOM 0 H GLU A 66 -4.112 5.926 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.049 8.103 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.287 7.338 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.066 7.548 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.707 5.127 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.809 4.862 -6.945 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.610 5.159 -4.721 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.087 4.437 -3.547 1.00 0.00 C ATOM 1016 C GLU A 67 -5.162 4.635 -2.353 1.00 0.00 C ATOM 1017 O GLU A 67 -5.592 4.567 -1.202 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.205 2.964 -3.903 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.256 2.712 -4.956 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.400 1.265 -5.290 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.461 0.664 -5.809 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.464 0.707 -5.034 1.00 0.00 O ATOM 0 H GLU A 67 -5.132 4.566 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.062 4.829 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.241 2.600 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.448 2.394 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.214 3.097 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.000 3.266 -5.859 1.00 0.00 H new ATOM 1029 N PHE A 68 -3.890 4.895 -2.644 1.00 0.00 N ATOM 1030 CA PHE A 68 -2.904 5.193 -1.623 1.00 0.00 C ATOM 1031 C PHE A 68 -3.162 6.573 -1.036 1.00 0.00 C ATOM 1032 O PHE A 68 -3.163 6.710 0.174 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.489 5.103 -2.204 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.379 5.257 -1.196 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.139 4.276 -0.258 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.422 6.378 -1.195 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.879 4.406 0.659 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.442 6.515 -0.280 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.669 5.530 0.651 1.00 0.00 C ATOM 0 H PHE A 68 -3.520 4.904 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.989 4.457 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.377 4.140 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.376 5.872 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.759 3.392 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.248 7.159 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.057 3.625 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.064 7.398 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.465 5.639 1.373 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.446 7.558 -1.897 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.669 8.939 -1.460 1.00 0.00 C ATOM 1051 C VAL A 69 -4.916 9.052 -0.587 1.00 0.00 C ATOM 1052 O VAL A 69 -4.858 9.671 0.470 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.766 9.933 -2.654 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.062 11.349 -2.180 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.486 9.937 -3.467 1.00 0.00 C ATOM 0 H VAL A 69 -3.527 7.422 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.796 9.215 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.590 9.593 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.123 12.015 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.011 11.362 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.265 11.685 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.583 10.640 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.652 10.236 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.302 8.937 -3.860 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.001 8.392 -0.992 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.270 8.455 -0.263 1.00 0.00 C ATOM 1067 C GLN A 70 -7.188 7.784 1.106 1.00 0.00 C ATOM 1068 O GLN A 70 -7.903 8.172 2.018 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.387 7.815 -1.083 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.685 8.544 -2.386 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.196 9.963 -2.209 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.903 10.276 -1.253 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.810 10.842 -3.122 1.00 0.00 N ATOM 0 H GLN A 70 -6.027 7.804 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.490 9.510 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.115 6.784 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.295 7.781 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.777 8.570 -2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.424 7.972 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.223 10.544 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.100 11.817 -3.046 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.295 6.807 1.245 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.105 6.099 2.499 1.00 0.00 C ATOM 1084 C HIS A 71 -5.067 6.801 3.402 1.00 0.00 C ATOM 1085 O HIS A 71 -5.003 6.552 4.603 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.802 4.612 2.187 1.00 0.00 C ATOM 1087 CG HIS A 71 -4.385 4.081 2.318 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -3.685 3.614 1.236 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -3.610 3.828 3.401 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -2.549 3.092 1.646 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -2.474 3.209 2.956 1.00 0.00 N ATOM 0 H HIS A 71 -5.687 6.488 0.491 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.018 6.121 3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.435 4.009 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.125 4.423 1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.846 4.071 4.427 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.800 2.641 1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.700 2.892 3.540 1.00 0.00 H new ATOM 1100 N MET A 72 -4.229 7.636 2.810 1.00 0.00 N ATOM 1101 CA MET A 72 -3.194 8.352 3.549 1.00 0.00 C ATOM 1102 C MET A 72 -3.685 9.718 4.025 1.00 0.00 C ATOM 1103 O MET A 72 -3.111 10.307 4.940 1.00 0.00 O ATOM 1104 CB MET A 72 -1.948 8.486 2.673 1.00 0.00 C ATOM 1105 CG MET A 72 -1.181 7.177 2.553 1.00 0.00 C ATOM 1106 SD MET A 72 0.006 6.910 3.883 1.00 0.00 S ATOM 1107 CE MET A 72 1.211 8.187 3.522 1.00 0.00 C ATOM 0 H MET A 72 -4.244 7.838 1.810 1.00 0.00 H new ATOM 0 HA MET A 72 -2.943 7.780 4.442 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.240 8.825 1.679 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.293 9.251 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.891 6.350 2.540 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.654 7.161 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.170 7.917 3.963 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.323 8.287 2.442 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.873 9.135 3.940 1.00 0.00 H new ATOM 1117 N THR A 73 -4.748 10.211 3.398 1.00 0.00 N ATOM 1118 CA THR A 73 -5.370 11.468 3.795 1.00 0.00 C ATOM 1119 C THR A 73 -6.599 11.210 4.679 1.00 0.00 C ATOM 1120 O THR A 73 -6.911 11.997 5.572 1.00 0.00 O ATOM 1121 CB THR A 73 -5.759 12.323 2.562 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.590 11.566 1.670 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.510 12.797 1.817 1.00 0.00 C ATOM 0 H THR A 73 -5.200 9.754 2.606 1.00 0.00 H new ATOM 0 HA THR A 73 -4.637 12.030 4.373 1.00 0.00 H new ATOM 0 HB THR A 73 -6.312 13.193 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.046 10.897 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.806 13.395 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.895 13.401 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.938 11.933 1.480 1.00 0.00 H new