USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -4.64! C(o=-6.8!,f=-17!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0984 (180deg=-0.637) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0143) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0912 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.3!) USER MOD Single : A 42 ASN : amide:sc= -1.46 K(o=-1.5,f=-7.5!) USER MOD Single : A 44 THR OG1 : rot -74:sc= 0.139 USER MOD Single : A 49 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.2) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 74:sc= 0.345 USER MOD Single : A 72 MET CE :methyl 176:sc= -0.0167 (180deg=-0.0356) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -15.053 -6.594 3.101 1.00 0.00 N ATOM 122 CA ILE A 9 -14.622 -5.278 3.554 1.00 0.00 C ATOM 123 C ILE A 9 -13.839 -5.389 4.857 1.00 0.00 C ATOM 124 O ILE A 9 -12.798 -4.756 5.009 1.00 0.00 O ATOM 125 CB ILE A 9 -15.828 -4.341 3.744 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.439 -4.042 2.370 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.373 -3.029 4.409 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.688 -3.175 2.527 1.00 0.00 C ATOM 0 HA ILE A 9 -13.972 -4.856 2.787 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.570 -4.819 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.709 -3.531 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.695 -4.974 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.232 -2.371 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.932 -3.248 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.633 -2.538 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.114 -2.969 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.422 -3.701 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.420 -2.236 3.011 1.00 0.00 H new ATOM 140 N VAL A 10 -14.346 -6.187 5.797 1.00 0.00 N ATOM 141 CA VAL A 10 -13.667 -6.345 7.080 1.00 0.00 C ATOM 142 C VAL A 10 -12.286 -6.935 6.866 1.00 0.00 C ATOM 143 O VAL A 10 -11.297 -6.432 7.398 1.00 0.00 O ATOM 144 CB VAL A 10 -14.486 -7.241 8.018 1.00 0.00 C ATOM 145 CG1 VAL A 10 -14.448 -8.685 7.539 1.00 0.00 C ATOM 146 CG2 VAL A 10 -13.922 -7.158 9.437 1.00 0.00 C ATOM 0 H VAL A 10 -15.208 -6.724 5.697 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.567 -5.364 7.543 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.520 -6.895 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.034 -9.308 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.867 -8.746 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.416 -9.036 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.507 -7.796 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.884 -7.491 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.972 -6.128 9.789 1.00 0.00 H new ATOM 156 N ASP A 11 -12.214 -7.997 6.071 1.00 0.00 N ATOM 157 CA ASP A 11 -10.924 -8.616 5.797 1.00 0.00 C ATOM 158 C ASP A 11 -10.009 -7.618 5.086 1.00 0.00 C ATOM 159 O ASP A 11 -8.832 -7.475 5.426 1.00 0.00 O ATOM 160 CB ASP A 11 -11.112 -9.862 4.926 1.00 0.00 C ATOM 161 CG ASP A 11 -9.756 -10.457 4.556 1.00 0.00 C ATOM 162 OD1 ASP A 11 -9.167 -9.988 3.597 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.330 -11.375 5.236 1.00 0.00 O ATOM 0 H ASP A 11 -13.013 -8.438 5.615 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.466 -8.911 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.708 -10.602 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.662 -9.603 4.022 1.00 0.00 H new ATOM 168 N PHE A 12 -10.565 -6.944 4.085 1.00 0.00 N ATOM 169 CA PHE A 12 -9.801 -5.974 3.306 1.00 0.00 C ATOM 170 C PHE A 12 -9.339 -4.850 4.217 1.00 0.00 C ATOM 171 O PHE A 12 -8.195 -4.403 4.143 1.00 0.00 O ATOM 172 CB PHE A 12 -10.645 -5.414 2.142 1.00 0.00 C ATOM 173 CG PHE A 12 -10.566 -6.340 0.938 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.601 -7.733 1.100 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.454 -5.794 -0.347 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.521 -8.571 -0.020 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.375 -6.635 -1.463 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.407 -8.020 -1.302 1.00 0.00 C ATOM 0 H PHE A 12 -11.537 -7.050 3.794 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.932 -6.472 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.683 -5.304 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.287 -4.421 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.690 -8.160 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.429 -4.722 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.547 -9.643 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.289 -6.210 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.344 -8.666 -2.165 1.00 0.00 H new ATOM 188 N LYS A 13 -10.236 -4.403 5.079 1.00 0.00 N ATOM 189 CA LYS A 13 -9.914 -3.337 6.007 1.00 0.00 C ATOM 190 C LYS A 13 -8.757 -3.759 6.916 1.00 0.00 C ATOM 191 O LYS A 13 -7.916 -2.938 7.278 1.00 0.00 O ATOM 192 CB LYS A 13 -11.167 -3.005 6.845 1.00 0.00 C ATOM 193 CG LYS A 13 -11.955 -1.842 6.213 1.00 0.00 C ATOM 194 CD LYS A 13 -11.348 -0.497 6.633 1.00 0.00 C ATOM 195 CE LYS A 13 -12.145 0.643 5.995 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.552 0.597 6.484 1.00 0.00 N ATOM 0 H LYS A 13 -11.188 -4.761 5.154 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.604 -2.450 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.805 -3.886 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.872 -2.741 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.941 -1.932 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.999 -1.890 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.363 -0.402 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.304 -0.444 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.692 1.602 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.123 0.554 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.989 1.534 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.088 -0.104 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.562 0.329 7.489 1.00 0.00 H new ATOM 210 N GLU A 14 -8.715 -5.038 7.276 1.00 0.00 N ATOM 211 CA GLU A 14 -7.648 -5.534 8.133 1.00 0.00 C ATOM 212 C GLU A 14 -6.329 -5.476 7.393 1.00 0.00 C ATOM 213 O GLU A 14 -5.286 -5.163 7.966 1.00 0.00 O ATOM 214 CB GLU A 14 -7.929 -6.972 8.531 1.00 0.00 C ATOM 215 CG GLU A 14 -6.983 -7.380 9.663 1.00 0.00 C ATOM 216 CD GLU A 14 -7.315 -8.788 10.149 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.104 -9.450 9.493 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.774 -9.185 11.167 1.00 0.00 O ATOM 0 H GLU A 14 -9.398 -5.740 6.992 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.597 -4.912 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.965 -7.076 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.794 -7.631 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.951 -7.342 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.067 -6.674 10.489 1.00 0.00 H new ATOM 225 N ALA A 15 -6.395 -5.765 6.104 1.00 0.00 N ATOM 226 CA ALA A 15 -5.200 -5.726 5.271 1.00 0.00 C ATOM 227 C ALA A 15 -4.711 -4.289 5.116 1.00 0.00 C ATOM 228 O ALA A 15 -3.507 -4.030 5.157 1.00 0.00 O ATOM 229 CB ALA A 15 -5.472 -6.327 3.887 1.00 0.00 C ATOM 0 H ALA A 15 -7.251 -6.026 5.614 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.430 -6.321 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.563 -6.285 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.787 -7.365 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.260 -5.759 3.392 1.00 0.00 H new ATOM 235 N PHE A 16 -5.644 -3.351 4.946 1.00 0.00 N ATOM 236 CA PHE A 16 -5.281 -1.945 4.794 1.00 0.00 C ATOM 237 C PHE A 16 -4.704 -1.388 6.089 1.00 0.00 C ATOM 238 O PHE A 16 -3.671 -0.719 6.084 1.00 0.00 O ATOM 239 CB PHE A 16 -6.519 -1.137 4.403 1.00 0.00 C ATOM 240 CG PHE A 16 -6.114 0.273 4.050 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.482 0.528 2.830 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.374 1.327 4.936 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.111 1.833 2.492 1.00 0.00 C ATOM 244 CE2 PHE A 16 -6.002 2.633 4.597 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.372 2.887 3.373 1.00 0.00 C ATOM 0 H PHE A 16 -6.646 -3.538 4.911 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.523 -1.868 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.018 -1.606 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.233 -1.125 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.280 -0.284 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.861 1.132 5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.622 2.027 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.201 3.445 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.088 3.895 3.110 1.00 0.00 H new ATOM 255 N GLY A 17 -5.390 -1.660 7.197 1.00 0.00 N ATOM 256 CA GLY A 17 -4.944 -1.172 8.493 1.00 0.00 C ATOM 257 C GLY A 17 -3.560 -1.709 8.820 1.00 0.00 C ATOM 258 O GLY A 17 -2.700 -0.977 9.309 1.00 0.00 O ATOM 0 H GLY A 17 -6.248 -2.211 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.926 -0.082 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.650 -1.477 9.265 1.00 0.00 H new ATOM 262 N LEU A 18 -3.346 -2.988 8.543 1.00 0.00 N ATOM 263 CA LEU A 18 -2.061 -3.612 8.805 1.00 0.00 C ATOM 264 C LEU A 18 -0.977 -2.953 7.963 1.00 0.00 C ATOM 265 O LEU A 18 0.153 -2.770 8.412 1.00 0.00 O ATOM 266 CB LEU A 18 -2.144 -5.108 8.464 1.00 0.00 C ATOM 267 CG LEU A 18 -1.030 -5.898 9.180 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.459 -6.251 10.611 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.747 -7.201 8.423 1.00 0.00 C ATOM 0 H LEU A 18 -4.045 -3.611 8.138 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.811 -3.489 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.118 -5.498 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.057 -5.245 7.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.135 -5.277 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.662 -6.808 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.658 -5.335 11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.362 -6.860 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.041 -7.755 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.653 -7.806 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.428 -6.969 7.407 1.00 0.00 H new ATOM 281 N PHE A 19 -1.331 -2.620 6.729 1.00 0.00 N ATOM 282 CA PHE A 19 -0.385 -2.001 5.816 1.00 0.00 C ATOM 283 C PHE A 19 -0.094 -0.577 6.245 1.00 0.00 C ATOM 284 O PHE A 19 1.031 -0.091 6.127 1.00 0.00 O ATOM 285 CB PHE A 19 -0.943 -2.030 4.390 1.00 0.00 C ATOM 286 CG PHE A 19 -0.976 -3.456 3.836 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.828 -4.599 4.667 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.159 -3.630 2.461 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.868 -5.878 4.109 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.194 -4.919 1.912 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.050 -6.040 2.736 1.00 0.00 C ATOM 0 H PHE A 19 -2.262 -2.768 6.340 1.00 0.00 H new ATOM 0 HA PHE A 19 0.549 -2.562 5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.949 -1.611 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.330 -1.401 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.685 -4.478 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.274 -2.768 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.758 -6.745 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.333 -5.047 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.080 -7.031 2.309 1.00 0.00 H new ATOM 301 N ASP A 20 -1.124 0.083 6.747 1.00 0.00 N ATOM 302 CA ASP A 20 -1.003 1.455 7.211 1.00 0.00 C ATOM 303 C ASP A 20 -0.685 1.480 8.704 1.00 0.00 C ATOM 304 O ASP A 20 -1.352 2.150 9.488 1.00 0.00 O ATOM 305 CB ASP A 20 -2.312 2.185 6.927 1.00 0.00 C ATOM 306 CG ASP A 20 -2.295 3.574 7.556 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.238 3.990 7.998 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.343 4.196 7.593 1.00 0.00 O ATOM 0 H ASP A 20 -2.059 -0.312 6.844 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.188 1.954 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.463 2.268 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.149 1.610 7.323 1.00 0.00 H new ATOM 313 N LYS A 21 0.315 0.696 9.092 1.00 0.00 N ATOM 314 CA LYS A 21 0.705 0.584 10.497 1.00 0.00 C ATOM 315 C LYS A 21 0.576 1.918 11.231 1.00 0.00 C ATOM 316 O LYS A 21 0.325 1.942 12.437 1.00 0.00 O ATOM 317 CB LYS A 21 2.159 0.099 10.597 1.00 0.00 C ATOM 318 CG LYS A 21 2.434 -0.465 12.007 1.00 0.00 C ATOM 319 CD LYS A 21 2.048 -1.959 12.074 1.00 0.00 C ATOM 320 CE LYS A 21 3.224 -2.829 11.612 1.00 0.00 C ATOM 321 NZ LYS A 21 4.200 -2.970 12.731 1.00 0.00 N ATOM 0 H LYS A 21 0.872 0.127 8.454 1.00 0.00 H new ATOM 0 HA LYS A 21 0.031 -0.133 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.347 -0.669 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.841 0.923 10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.489 -0.344 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.866 0.098 12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.767 -2.225 13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.178 -2.146 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.866 -3.810 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.708 -2.377 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.148 -3.151 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.216 -2.093 13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.917 -3.764 13.340 1.00 0.00 H new ATOM 335 N ASP A 22 0.754 3.026 10.517 1.00 0.00 N ATOM 336 CA ASP A 22 0.659 4.340 11.142 1.00 0.00 C ATOM 337 C ASP A 22 -0.784 4.672 11.524 1.00 0.00 C ATOM 338 O ASP A 22 -1.027 5.420 12.471 1.00 0.00 O ATOM 339 CB ASP A 22 1.178 5.397 10.169 1.00 0.00 C ATOM 340 CG ASP A 22 2.462 4.907 9.511 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.400 4.608 10.231 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.487 4.833 8.292 1.00 0.00 O ATOM 0 H ASP A 22 0.962 3.041 9.519 1.00 0.00 H new ATOM 0 HA ASP A 22 1.260 4.331 12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.425 5.605 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.364 6.332 10.698 1.00 0.00 H new ATOM 347 N GLY A 23 -1.738 4.107 10.787 1.00 0.00 N ATOM 348 CA GLY A 23 -3.152 4.343 11.064 1.00 0.00 C ATOM 349 C GLY A 23 -3.627 5.685 10.503 1.00 0.00 C ATOM 350 O GLY A 23 -4.727 6.137 10.818 1.00 0.00 O ATOM 0 H GLY A 23 -1.559 3.486 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.746 3.538 10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.320 4.320 12.141 1.00 0.00 H new ATOM 354 N ASP A 24 -2.794 6.329 9.687 1.00 0.00 N ATOM 355 CA ASP A 24 -3.160 7.625 9.122 1.00 0.00 C ATOM 356 C ASP A 24 -4.293 7.477 8.113 1.00 0.00 C ATOM 357 O ASP A 24 -4.880 8.468 7.675 1.00 0.00 O ATOM 358 CB ASP A 24 -1.947 8.268 8.443 1.00 0.00 C ATOM 359 CG ASP A 24 -1.589 7.507 7.171 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.011 6.369 7.043 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.887 8.069 6.346 1.00 0.00 O ATOM 0 H ASP A 24 -1.877 5.982 9.406 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.499 8.265 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.165 9.309 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.097 8.269 9.126 1.00 0.00 H new ATOM 366 N GLY A 25 -4.602 6.238 7.749 1.00 0.00 N ATOM 367 CA GLY A 25 -5.672 5.969 6.794 1.00 0.00 C ATOM 368 C GLY A 25 -5.144 5.977 5.363 1.00 0.00 C ATOM 369 O GLY A 25 -5.877 5.668 4.423 1.00 0.00 O ATOM 0 H GLY A 25 -4.129 5.405 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.125 5.002 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.456 6.719 6.900 1.00 0.00 H new ATOM 373 N CYS A 26 -3.873 6.345 5.197 1.00 0.00 N ATOM 374 CA CYS A 26 -3.260 6.402 3.864 1.00 0.00 C ATOM 375 C CYS A 26 -1.913 5.686 3.846 1.00 0.00 C ATOM 376 O CYS A 26 -1.083 5.882 4.738 1.00 0.00 O ATOM 377 CB CYS A 26 -3.053 7.862 3.455 1.00 0.00 C ATOM 378 SG CYS A 26 -4.646 8.720 3.446 1.00 0.00 S ATOM 0 H CYS A 26 -3.250 6.607 5.961 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.930 5.905 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.369 8.351 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.596 7.912 2.467 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.469 9.961 3.101 1.00 0.00 H new ATOM 384 N ILE A 27 -1.691 4.865 2.815 1.00 0.00 N ATOM 385 CA ILE A 27 -0.424 4.138 2.681 1.00 0.00 C ATOM 386 C ILE A 27 0.471 4.849 1.671 1.00 0.00 C ATOM 387 O ILE A 27 0.163 4.881 0.479 1.00 0.00 O ATOM 388 CB ILE A 27 -0.672 2.712 2.176 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.580 1.947 3.143 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.663 1.976 2.058 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.088 0.679 2.452 1.00 0.00 C ATOM 0 H ILE A 27 -2.363 4.688 2.069 1.00 0.00 H new ATOM 0 HA ILE A 27 0.053 4.104 3.660 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.159 2.768 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.032 1.688 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.419 2.573 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.489 0.962 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.309 2.504 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.145 1.937 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.736 0.128 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.650 0.952 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.241 0.053 2.171 1.00 0.00 H new ATOM 403 N THR A 28 1.586 5.404 2.139 1.00 0.00 N ATOM 404 CA THR A 28 2.509 6.091 1.240 1.00 0.00 C ATOM 405 C THR A 28 3.412 5.073 0.561 1.00 0.00 C ATOM 406 O THR A 28 3.475 3.917 0.982 1.00 0.00 O ATOM 407 CB THR A 28 3.364 7.099 2.011 1.00 0.00 C ATOM 408 OG1 THR A 28 4.151 6.415 2.975 1.00 0.00 O ATOM 409 CG2 THR A 28 2.453 8.106 2.711 1.00 0.00 C ATOM 0 H THR A 28 1.869 5.393 3.119 1.00 0.00 H new ATOM 0 HA THR A 28 1.929 6.628 0.489 1.00 0.00 H new ATOM 0 HB THR A 28 4.021 7.625 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.699 7.061 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.060 8.825 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.852 8.631 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.795 7.581 3.404 1.00 0.00 H new ATOM 417 N VAL A 29 4.093 5.488 -0.498 1.00 0.00 N ATOM 418 CA VAL A 29 4.960 4.566 -1.220 1.00 0.00 C ATOM 419 C VAL A 29 6.011 3.968 -0.286 1.00 0.00 C ATOM 420 O VAL A 29 6.263 2.764 -0.310 1.00 0.00 O ATOM 421 CB VAL A 29 5.642 5.288 -2.394 1.00 0.00 C ATOM 422 CG1 VAL A 29 4.613 6.141 -3.155 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.769 6.192 -1.873 1.00 0.00 C ATOM 0 H VAL A 29 4.065 6.437 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 29 4.347 3.754 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 29 6.062 4.541 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.104 6.649 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.821 5.498 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.183 6.881 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.246 6.699 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.355 6.933 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.508 5.587 -1.348 1.00 0.00 H new ATOM 433 N GLU A 30 6.611 4.817 0.536 1.00 0.00 N ATOM 434 CA GLU A 30 7.620 4.363 1.473 1.00 0.00 C ATOM 435 C GLU A 30 7.029 3.302 2.400 1.00 0.00 C ATOM 436 O GLU A 30 7.669 2.290 2.705 1.00 0.00 O ATOM 437 CB GLU A 30 8.127 5.553 2.289 1.00 0.00 C ATOM 438 CG GLU A 30 9.257 5.086 3.196 1.00 0.00 C ATOM 439 CD GLU A 30 9.845 6.264 3.961 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.073 7.061 4.471 1.00 0.00 O ATOM 441 OE2 GLU A 30 11.060 6.351 4.033 1.00 0.00 O ATOM 0 H GLU A 30 6.416 5.818 0.571 1.00 0.00 H new ATOM 0 HA GLU A 30 8.453 3.923 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.479 6.342 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.317 5.975 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.884 4.339 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.034 4.606 2.601 1.00 0.00 H new ATOM 448 N GLU A 31 5.791 3.526 2.817 1.00 0.00 N ATOM 449 CA GLU A 31 5.104 2.584 3.683 1.00 0.00 C ATOM 450 C GLU A 31 4.762 1.311 2.919 1.00 0.00 C ATOM 451 O GLU A 31 4.895 0.206 3.444 1.00 0.00 O ATOM 452 CB GLU A 31 3.828 3.223 4.207 1.00 0.00 C ATOM 453 CG GLU A 31 4.180 4.363 5.159 1.00 0.00 C ATOM 454 CD GLU A 31 2.927 5.170 5.462 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.926 4.921 4.815 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.988 6.034 6.321 1.00 0.00 O ATOM 0 H GLU A 31 5.244 4.351 2.569 1.00 0.00 H new ATOM 0 HA GLU A 31 5.758 2.326 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.231 3.600 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.222 2.479 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.602 3.964 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.940 5.004 4.712 1.00 0.00 H new ATOM 463 N LEU A 32 4.324 1.471 1.674 1.00 0.00 N ATOM 464 CA LEU A 32 3.977 0.314 0.862 1.00 0.00 C ATOM 465 C LEU A 32 5.235 -0.536 0.676 1.00 0.00 C ATOM 466 O LEU A 32 5.206 -1.757 0.822 1.00 0.00 O ATOM 467 CB LEU A 32 3.427 0.767 -0.507 1.00 0.00 C ATOM 468 CG LEU A 32 2.469 -0.289 -1.083 1.00 0.00 C ATOM 469 CD1 LEU A 32 2.124 0.067 -2.529 1.00 0.00 C ATOM 470 CD2 LEU A 32 3.115 -1.676 -1.054 1.00 0.00 C ATOM 0 H LEU A 32 4.203 2.373 1.214 1.00 0.00 H new ATOM 0 HA LEU A 32 3.203 -0.272 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.906 1.718 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.252 0.933 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 32 1.565 -0.304 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.445 -0.682 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.645 1.045 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.036 0.092 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.421 -2.409 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.027 -1.665 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.357 -1.943 -0.025 1.00 0.00 H new ATOM 482 N ALA A 33 6.345 0.130 0.358 1.00 0.00 N ATOM 483 CA ALA A 33 7.611 -0.570 0.157 1.00 0.00 C ATOM 484 C ALA A 33 7.938 -1.410 1.384 1.00 0.00 C ATOM 485 O ALA A 33 8.399 -2.545 1.267 1.00 0.00 O ATOM 486 CB ALA A 33 8.737 0.435 -0.102 1.00 0.00 C ATOM 0 H ALA A 33 6.393 1.141 0.235 1.00 0.00 H new ATOM 0 HA ALA A 33 7.518 -1.224 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.675 -0.100 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.507 1.018 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.832 1.104 0.754 1.00 0.00 H new ATOM 492 N THR A 34 7.657 -0.860 2.558 1.00 0.00 N ATOM 493 CA THR A 34 7.883 -1.591 3.801 1.00 0.00 C ATOM 494 C THR A 34 6.945 -2.804 3.868 1.00 0.00 C ATOM 495 O THR A 34 7.349 -3.881 4.310 1.00 0.00 O ATOM 496 CB THR A 34 7.677 -0.662 5.014 1.00 0.00 C ATOM 497 OG1 THR A 34 8.826 0.162 5.162 1.00 0.00 O ATOM 498 CG2 THR A 34 7.474 -1.483 6.294 1.00 0.00 C ATOM 0 H THR A 34 7.276 0.079 2.677 1.00 0.00 H new ATOM 0 HA THR A 34 8.912 -1.949 3.825 1.00 0.00 H new ATOM 0 HB THR A 34 6.790 -0.051 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.704 0.758 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.330 -0.810 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.596 -2.119 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.352 -2.105 6.471 1.00 0.00 H new ATOM 506 N VAL A 35 5.687 -2.642 3.429 1.00 0.00 N ATOM 507 CA VAL A 35 4.751 -3.763 3.468 1.00 0.00 C ATOM 508 C VAL A 35 5.213 -4.878 2.532 1.00 0.00 C ATOM 509 O VAL A 35 5.246 -6.049 2.912 1.00 0.00 O ATOM 510 CB VAL A 35 3.336 -3.297 3.094 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.415 -4.510 2.926 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.800 -2.409 4.213 1.00 0.00 C ATOM 0 H VAL A 35 5.308 -1.772 3.055 1.00 0.00 H new ATOM 0 HA VAL A 35 4.726 -4.155 4.485 1.00 0.00 H new ATOM 0 HB VAL A 35 3.370 -2.742 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.413 -4.172 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.802 -5.154 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.374 -5.068 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.795 -2.071 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.768 -2.976 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.453 -1.545 4.336 1.00 0.00 H new ATOM 522 N ILE A 36 5.594 -4.504 1.317 1.00 0.00 N ATOM 523 CA ILE A 36 6.068 -5.483 0.348 1.00 0.00 C ATOM 524 C ILE A 36 7.328 -6.152 0.876 1.00 0.00 C ATOM 525 O ILE A 36 7.526 -7.353 0.707 1.00 0.00 O ATOM 526 CB ILE A 36 6.323 -4.828 -1.013 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.987 -4.394 -1.608 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.968 -5.839 -1.958 1.00 0.00 C ATOM 529 CD1 ILE A 36 5.228 -3.488 -2.817 1.00 0.00 C ATOM 0 H ILE A 36 5.585 -3.541 0.982 1.00 0.00 H new ATOM 0 HA ILE A 36 5.298 -6.242 0.206 1.00 0.00 H new ATOM 0 HB ILE A 36 6.983 -3.970 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.410 -5.269 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.399 -3.866 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.148 -5.370 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.915 -6.178 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.302 -6.692 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.271 -3.181 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.787 -2.606 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.798 -4.031 -3.571 1.00 0.00 H new ATOM 541 N ARG A 37 8.178 -5.368 1.517 1.00 0.00 N ATOM 542 CA ARG A 37 9.412 -5.896 2.078 1.00 0.00 C ATOM 543 C ARG A 37 9.113 -7.019 3.065 1.00 0.00 C ATOM 544 O ARG A 37 9.802 -8.039 3.091 1.00 0.00 O ATOM 545 CB ARG A 37 10.168 -4.772 2.794 1.00 0.00 C ATOM 546 CG ARG A 37 11.384 -5.336 3.535 1.00 0.00 C ATOM 547 CD ARG A 37 12.169 -4.184 4.154 1.00 0.00 C ATOM 548 NE ARG A 37 12.813 -3.393 3.115 1.00 0.00 N ATOM 549 CZ ARG A 37 13.893 -3.840 2.477 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.402 -5.005 2.778 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.446 -3.110 1.549 1.00 0.00 N ATOM 0 H ARG A 37 8.038 -4.368 1.662 1.00 0.00 H new ATOM 0 HA ARG A 37 10.023 -6.296 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.490 -4.023 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.505 -4.270 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.063 -6.032 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.017 -5.896 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.500 -3.552 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.920 -4.575 4.841 1.00 0.00 H new ATOM 0 HE ARG A 37 12.430 -2.480 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.972 -5.577 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.229 -5.343 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.051 -2.199 1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.273 -3.449 1.058 1.00 0.00 H new ATOM 565 N SER A 38 8.081 -6.823 3.874 1.00 0.00 N ATOM 566 CA SER A 38 7.695 -7.824 4.863 1.00 0.00 C ATOM 567 C SER A 38 7.136 -9.071 4.191 1.00 0.00 C ATOM 568 O SER A 38 7.256 -10.175 4.721 1.00 0.00 O ATOM 569 CB SER A 38 6.636 -7.256 5.809 1.00 0.00 C ATOM 570 OG SER A 38 6.629 -8.017 7.012 1.00 0.00 O ATOM 0 H SER A 38 7.498 -5.986 3.867 1.00 0.00 H new ATOM 0 HA SER A 38 8.589 -8.092 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.849 -6.210 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.654 -7.289 5.337 1.00 0.00 H new ATOM 0 HG SER A 38 5.953 -7.657 7.623 1.00 0.00 H new ATOM 576 N LEU A 39 6.484 -8.889 3.048 1.00 0.00 N ATOM 577 CA LEU A 39 5.869 -10.012 2.363 1.00 0.00 C ATOM 578 C LEU A 39 6.875 -11.100 1.991 1.00 0.00 C ATOM 579 O LEU A 39 6.567 -12.268 2.193 1.00 0.00 O ATOM 580 CB LEU A 39 5.149 -9.531 1.100 1.00 0.00 C ATOM 581 CG LEU A 39 3.874 -8.741 1.453 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.238 -8.176 0.163 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.862 -9.659 2.185 1.00 0.00 C ATOM 0 H LEU A 39 6.370 -7.988 2.584 1.00 0.00 H new ATOM 0 HA LEU A 39 5.154 -10.450 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.819 -8.902 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.889 -10.387 0.478 1.00 0.00 H new ATOM 0 HG LEU A 39 4.139 -7.915 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.337 -7.618 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.948 -7.514 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.980 -8.997 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.965 -9.090 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.596 -10.495 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.312 -10.038 3.102 1.00 0.00 H new ATOM 595 N ASP A 40 8.061 -10.706 1.485 1.00 0.00 N ATOM 596 CA ASP A 40 9.138 -11.655 1.099 1.00 0.00 C ATOM 597 C ASP A 40 9.788 -11.249 -0.222 1.00 0.00 C ATOM 598 O ASP A 40 10.461 -12.062 -0.857 1.00 0.00 O ATOM 599 CB ASP A 40 8.639 -13.097 0.935 1.00 0.00 C ATOM 600 CG ASP A 40 7.462 -13.131 -0.036 1.00 0.00 C ATOM 601 OD1 ASP A 40 7.051 -12.069 -0.471 1.00 0.00 O ATOM 602 OD2 ASP A 40 6.992 -14.217 -0.330 1.00 0.00 O ATOM 0 H ASP A 40 8.304 -9.727 1.331 1.00 0.00 H new ATOM 0 HA ASP A 40 9.856 -11.614 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.445 -13.730 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.336 -13.499 1.902 1.00 0.00 H new ATOM 607 N GLN A 41 9.593 -10.004 -0.639 1.00 0.00 N ATOM 608 CA GLN A 41 10.177 -9.528 -1.894 1.00 0.00 C ATOM 609 C GLN A 41 10.374 -8.016 -1.846 1.00 0.00 C ATOM 610 O GLN A 41 9.890 -7.350 -0.932 1.00 0.00 O ATOM 611 CB GLN A 41 9.275 -9.895 -3.075 1.00 0.00 C ATOM 612 CG GLN A 41 7.827 -9.560 -2.727 1.00 0.00 C ATOM 613 CD GLN A 41 6.946 -9.681 -3.964 1.00 0.00 C ATOM 614 OE1 GLN A 41 7.394 -9.403 -5.077 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.711 -10.086 -3.838 1.00 0.00 N ATOM 0 H GLN A 41 9.042 -9.309 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 41 11.146 -10.009 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.583 -9.348 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.370 -10.956 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.468 -10.233 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.767 -8.548 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.341 -10.316 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.116 -10.172 -4.662 1.00 0.00 H new ATOM 624 N ASN A 42 11.089 -7.478 -2.833 1.00 0.00 N ATOM 625 CA ASN A 42 11.344 -6.039 -2.885 1.00 0.00 C ATOM 626 C ASN A 42 11.587 -5.572 -4.322 1.00 0.00 C ATOM 627 O ASN A 42 12.732 -5.447 -4.755 1.00 0.00 O ATOM 628 CB ASN A 42 12.566 -5.698 -2.027 1.00 0.00 C ATOM 629 CG ASN A 42 13.746 -6.586 -2.408 1.00 0.00 C ATOM 630 OD1 ASN A 42 13.612 -7.472 -3.252 1.00 0.00 O ATOM 631 ND2 ASN A 42 14.900 -6.397 -1.830 1.00 0.00 N ATOM 0 H ASN A 42 11.499 -8.011 -3.601 1.00 0.00 H new ATOM 0 HA ASN A 42 10.464 -5.525 -2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.833 -4.650 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.327 -5.832 -0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.696 -6.985 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.006 -5.662 -1.131 1.00 0.00 H new ATOM 638 N PRO A 43 10.539 -5.299 -5.062 1.00 0.00 N ATOM 639 CA PRO A 43 10.649 -4.822 -6.474 1.00 0.00 C ATOM 640 C PRO A 43 11.425 -3.508 -6.549 1.00 0.00 C ATOM 641 O PRO A 43 11.841 -2.971 -5.521 1.00 0.00 O ATOM 642 CB PRO A 43 9.184 -4.638 -6.923 1.00 0.00 C ATOM 643 CG PRO A 43 8.374 -5.451 -5.963 1.00 0.00 C ATOM 644 CD PRO A 43 9.135 -5.419 -4.641 1.00 0.00 C ATOM 0 HA PRO A 43 11.193 -5.519 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.892 -3.588 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.040 -4.980 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.373 -5.036 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.255 -6.474 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.828 -4.577 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.966 -6.324 -4.057 1.00 0.00 H new ATOM 652 N THR A 44 11.603 -2.980 -7.758 1.00 0.00 N ATOM 653 CA THR A 44 12.313 -1.720 -7.926 1.00 0.00 C ATOM 654 C THR A 44 11.331 -0.557 -7.846 1.00 0.00 C ATOM 655 O THR A 44 10.141 -0.720 -8.117 1.00 0.00 O ATOM 656 CB THR A 44 13.015 -1.705 -9.287 1.00 0.00 C ATOM 657 OG1 THR A 44 12.038 -1.709 -10.318 1.00 0.00 O ATOM 658 CG2 THR A 44 13.903 -2.943 -9.424 1.00 0.00 C ATOM 0 H THR A 44 11.269 -3.401 -8.625 1.00 0.00 H new ATOM 0 HA THR A 44 13.054 -1.618 -7.133 1.00 0.00 H new ATOM 0 HB THR A 44 13.631 -0.810 -9.367 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.639 -2.602 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.401 -2.928 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.652 -2.943 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.290 -3.841 -9.344 1.00 0.00 H new ATOM 666 N GLU A 45 11.834 0.615 -7.471 1.00 0.00 N ATOM 667 CA GLU A 45 10.981 1.800 -7.360 1.00 0.00 C ATOM 668 C GLU A 45 10.005 1.858 -8.532 1.00 0.00 C ATOM 669 O GLU A 45 8.857 2.272 -8.379 1.00 0.00 O ATOM 670 CB GLU A 45 11.834 3.070 -7.343 1.00 0.00 C ATOM 671 CG GLU A 45 12.629 3.135 -6.038 1.00 0.00 C ATOM 672 CD GLU A 45 13.517 4.375 -6.029 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.472 5.120 -6.994 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.231 4.562 -5.056 1.00 0.00 O ATOM 0 H GLU A 45 12.815 0.772 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 45 10.420 1.734 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.513 3.076 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.197 3.950 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.947 3.160 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.240 2.239 -5.930 1.00 0.00 H new ATOM 681 N GLU A 46 10.476 1.444 -9.705 1.00 0.00 N ATOM 682 CA GLU A 46 9.648 1.452 -10.909 1.00 0.00 C ATOM 683 C GLU A 46 8.383 0.622 -10.695 1.00 0.00 C ATOM 684 O GLU A 46 7.271 1.104 -10.909 1.00 0.00 O ATOM 685 CB GLU A 46 10.446 0.879 -12.105 1.00 0.00 C ATOM 686 CG GLU A 46 11.947 1.093 -11.892 1.00 0.00 C ATOM 687 CD GLU A 46 12.237 2.569 -11.641 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.378 3.381 -11.944 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.315 2.867 -11.156 1.00 0.00 O ATOM 0 H GLU A 46 11.425 1.099 -9.848 1.00 0.00 H new ATOM 0 HA GLU A 46 9.363 2.482 -11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.235 -0.185 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.130 1.364 -13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.290 0.498 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.499 0.750 -12.767 1.00 0.00 H new ATOM 696 N GLU A 47 8.561 -0.626 -10.270 1.00 0.00 N ATOM 697 CA GLU A 47 7.418 -1.504 -10.037 1.00 0.00 C ATOM 698 C GLU A 47 6.520 -0.904 -8.957 1.00 0.00 C ATOM 699 O GLU A 47 5.295 -0.926 -9.074 1.00 0.00 O ATOM 700 CB GLU A 47 7.904 -2.905 -9.622 1.00 0.00 C ATOM 701 CG GLU A 47 8.192 -3.749 -10.871 1.00 0.00 C ATOM 702 CD GLU A 47 9.284 -3.089 -11.705 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.430 -3.141 -11.292 1.00 0.00 O ATOM 704 OE2 GLU A 47 8.957 -2.539 -12.743 1.00 0.00 O ATOM 0 H GLU A 47 9.471 -1.047 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 47 6.843 -1.599 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.804 -2.822 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.148 -3.395 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.502 -4.752 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.284 -3.857 -11.465 1.00 0.00 H new ATOM 711 N LEU A 48 7.136 -0.351 -7.921 1.00 0.00 N ATOM 712 CA LEU A 48 6.379 0.272 -6.844 1.00 0.00 C ATOM 713 C LEU A 48 5.569 1.444 -7.390 1.00 0.00 C ATOM 714 O LEU A 48 4.399 1.614 -7.048 1.00 0.00 O ATOM 715 CB LEU A 48 7.352 0.750 -5.747 1.00 0.00 C ATOM 716 CG LEU A 48 7.573 -0.361 -4.713 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.099 -1.615 -5.410 1.00 0.00 C ATOM 718 CD2 LEU A 48 8.589 0.111 -3.668 1.00 0.00 C ATOM 0 H LEU A 48 8.149 -0.321 -7.804 1.00 0.00 H new ATOM 0 HA LEU A 48 5.688 -0.453 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.304 1.035 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.952 1.638 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 48 6.628 -0.593 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.255 -2.403 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.374 -1.950 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.044 -1.388 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.747 -0.678 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.534 0.344 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.210 1.002 -3.168 1.00 0.00 H new ATOM 730 N GLN A 49 6.189 2.242 -8.249 1.00 0.00 N ATOM 731 CA GLN A 49 5.500 3.381 -8.838 1.00 0.00 C ATOM 732 C GLN A 49 4.484 2.907 -9.874 1.00 0.00 C ATOM 733 O GLN A 49 3.345 3.375 -9.896 1.00 0.00 O ATOM 734 CB GLN A 49 6.513 4.327 -9.486 1.00 0.00 C ATOM 735 CG GLN A 49 5.812 5.623 -9.904 1.00 0.00 C ATOM 736 CD GLN A 49 5.378 6.405 -8.668 1.00 0.00 C ATOM 737 OE1 GLN A 49 6.062 6.384 -7.645 1.00 0.00 O ATOM 738 NE2 GLN A 49 4.276 7.106 -8.703 1.00 0.00 N ATOM 0 H GLN A 49 7.156 2.124 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 49 4.970 3.917 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.319 4.547 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.966 3.850 -10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.484 6.230 -10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.944 5.393 -10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.709 7.123 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.982 7.636 -7.882 1.00 0.00 H new ATOM 747 N ASP A 50 4.900 1.983 -10.736 1.00 0.00 N ATOM 748 CA ASP A 50 4.011 1.467 -11.771 1.00 0.00 C ATOM 749 C ASP A 50 2.806 0.773 -11.144 1.00 0.00 C ATOM 750 O ASP A 50 1.679 0.924 -11.618 1.00 0.00 O ATOM 751 CB ASP A 50 4.763 0.479 -12.666 1.00 0.00 C ATOM 752 CG ASP A 50 5.749 1.227 -13.560 1.00 0.00 C ATOM 753 OD1 ASP A 50 5.647 2.439 -13.638 1.00 0.00 O ATOM 754 OD2 ASP A 50 6.590 0.573 -14.155 1.00 0.00 O ATOM 0 H ASP A 50 5.837 1.580 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 50 3.662 2.306 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.296 -0.247 -12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.056 -0.080 -13.279 1.00 0.00 H new ATOM 759 N MET A 51 3.042 0.032 -10.068 1.00 0.00 N ATOM 760 CA MET A 51 1.947 -0.650 -9.387 1.00 0.00 C ATOM 761 C MET A 51 1.027 0.379 -8.740 1.00 0.00 C ATOM 762 O MET A 51 -0.196 0.291 -8.854 1.00 0.00 O ATOM 763 CB MET A 51 2.491 -1.616 -8.329 1.00 0.00 C ATOM 764 CG MET A 51 3.054 -2.869 -9.011 1.00 0.00 C ATOM 765 SD MET A 51 1.697 -3.825 -9.747 1.00 0.00 S ATOM 766 CE MET A 51 2.421 -4.074 -11.388 1.00 0.00 C ATOM 0 H MET A 51 3.963 -0.111 -9.654 1.00 0.00 H new ATOM 0 HA MET A 51 1.381 -1.228 -10.118 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.270 -1.128 -7.744 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.698 -1.894 -7.635 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.771 -2.585 -9.781 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.591 -3.480 -8.285 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.732 -4.650 -12.006 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.605 -3.107 -11.855 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.362 -4.615 -11.292 1.00 0.00 H new ATOM 776 N ILE A 52 1.625 1.373 -8.086 1.00 0.00 N ATOM 777 CA ILE A 52 0.847 2.433 -7.456 1.00 0.00 C ATOM 778 C ILE A 52 0.144 3.264 -8.519 1.00 0.00 C ATOM 779 O ILE A 52 -1.034 3.585 -8.389 1.00 0.00 O ATOM 780 CB ILE A 52 1.755 3.325 -6.601 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.215 2.544 -5.362 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.987 4.574 -6.148 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.399 3.257 -4.689 1.00 0.00 C ATOM 0 H ILE A 52 2.635 1.465 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 52 0.097 1.980 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 52 2.618 3.626 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.390 2.450 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.506 1.533 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.639 5.202 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.655 5.134 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.121 4.274 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.714 2.691 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.229 3.328 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.095 4.259 -4.385 1.00 0.00 H new ATOM 795 N SER A 53 0.871 3.601 -9.577 1.00 0.00 N ATOM 796 CA SER A 53 0.299 4.390 -10.657 1.00 0.00 C ATOM 797 C SER A 53 -0.873 3.645 -11.276 1.00 0.00 C ATOM 798 O SER A 53 -1.892 4.242 -11.621 1.00 0.00 O ATOM 799 CB SER A 53 1.357 4.670 -11.721 1.00 0.00 C ATOM 800 OG SER A 53 0.722 5.136 -12.903 1.00 0.00 O ATOM 0 H SER A 53 1.849 3.342 -9.709 1.00 0.00 H new ATOM 0 HA SER A 53 -0.054 5.339 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.066 5.414 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.925 3.764 -11.933 1.00 0.00 H new ATOM 0 HG SER A 53 1.399 5.318 -13.588 1.00 0.00 H new ATOM 806 N GLU A 54 -0.713 2.336 -11.423 1.00 0.00 N ATOM 807 CA GLU A 54 -1.757 1.510 -12.010 1.00 0.00 C ATOM 808 C GLU A 54 -3.099 1.764 -11.328 1.00 0.00 C ATOM 809 O GLU A 54 -4.146 1.697 -11.973 1.00 0.00 O ATOM 810 CB GLU A 54 -1.386 0.025 -11.886 1.00 0.00 C ATOM 811 CG GLU A 54 -2.402 -0.837 -12.650 1.00 0.00 C ATOM 812 CD GLU A 54 -3.696 -0.986 -11.851 1.00 0.00 C ATOM 813 OE1 GLU A 54 -3.666 -0.743 -10.655 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.699 -1.340 -12.449 1.00 0.00 O ATOM 0 H GLU A 54 0.126 1.827 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.848 1.774 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.384 -0.142 -12.282 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.366 -0.267 -10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.617 -0.383 -13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.976 -1.821 -12.847 1.00 0.00 H new ATOM 821 N VAL A 55 -3.072 2.050 -10.022 1.00 0.00 N ATOM 822 CA VAL A 55 -4.310 2.304 -9.270 1.00 0.00 C ATOM 823 C VAL A 55 -4.417 3.761 -8.840 1.00 0.00 C ATOM 824 O VAL A 55 -5.519 4.299 -8.746 1.00 0.00 O ATOM 825 CB VAL A 55 -4.369 1.411 -8.035 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.224 1.760 -7.084 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.708 1.611 -7.322 1.00 0.00 C ATOM 0 H VAL A 55 -2.218 2.112 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.146 2.078 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.273 0.370 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.273 1.118 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.271 1.609 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.310 2.802 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.749 0.972 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.807 2.654 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.523 1.350 -7.997 1.00 0.00 H new ATOM 837 N ASP A 56 -3.285 4.397 -8.570 1.00 0.00 N ATOM 838 CA ASP A 56 -3.317 5.787 -8.150 1.00 0.00 C ATOM 839 C ASP A 56 -3.871 6.638 -9.279 1.00 0.00 C ATOM 840 O ASP A 56 -3.132 7.326 -9.984 1.00 0.00 O ATOM 841 CB ASP A 56 -1.917 6.266 -7.768 1.00 0.00 C ATOM 842 CG ASP A 56 -2.009 7.557 -6.965 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.052 8.185 -7.007 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.033 7.898 -6.317 1.00 0.00 O ATOM 0 H ASP A 56 -2.355 3.983 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.959 5.880 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.409 5.500 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.322 6.429 -8.666 1.00 0.00 H new ATOM 849 N ALA A 57 -5.184 6.573 -9.438 1.00 0.00 N ATOM 850 CA ALA A 57 -5.861 7.330 -10.484 1.00 0.00 C ATOM 851 C ALA A 57 -5.589 8.823 -10.330 1.00 0.00 C ATOM 852 O ALA A 57 -5.655 9.577 -11.300 1.00 0.00 O ATOM 853 CB ALA A 57 -7.370 7.081 -10.424 1.00 0.00 C ATOM 0 H ALA A 57 -5.802 6.006 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.475 6.997 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.864 7.652 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.569 6.019 -10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.752 7.395 -9.453 1.00 0.00 H new ATOM 859 N ASP A 58 -5.294 9.248 -9.101 1.00 0.00 N ATOM 860 CA ASP A 58 -5.025 10.661 -8.826 1.00 0.00 C ATOM 861 C ASP A 58 -3.524 10.961 -8.842 1.00 0.00 C ATOM 862 O ASP A 58 -3.119 12.105 -9.057 1.00 0.00 O ATOM 863 CB ASP A 58 -5.599 11.026 -7.456 1.00 0.00 C ATOM 864 CG ASP A 58 -5.058 10.072 -6.398 1.00 0.00 C ATOM 865 OD1 ASP A 58 -3.890 10.190 -6.066 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.816 9.234 -5.938 1.00 0.00 O ATOM 0 H ASP A 58 -5.235 8.639 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.498 11.255 -9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.334 12.053 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.687 10.975 -7.482 1.00 0.00 H new ATOM 871 N GLY A 59 -2.703 9.939 -8.618 1.00 0.00 N ATOM 872 CA GLY A 59 -1.253 10.129 -8.615 1.00 0.00 C ATOM 873 C GLY A 59 -0.803 10.957 -7.410 1.00 0.00 C ATOM 874 O GLY A 59 0.118 11.768 -7.516 1.00 0.00 O ATOM 0 H GLY A 59 -3.010 8.983 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.757 9.159 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.947 10.627 -9.535 1.00 0.00 H new ATOM 878 N ASN A 60 -1.458 10.757 -6.269 1.00 0.00 N ATOM 879 CA ASN A 60 -1.109 11.506 -5.061 1.00 0.00 C ATOM 880 C ASN A 60 0.155 10.954 -4.403 1.00 0.00 C ATOM 881 O ASN A 60 0.766 11.624 -3.570 1.00 0.00 O ATOM 882 CB ASN A 60 -2.259 11.454 -4.054 1.00 0.00 C ATOM 883 CG ASN A 60 -2.450 10.024 -3.564 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.790 9.106 -4.051 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.322 9.775 -2.626 1.00 0.00 N ATOM 0 H ASN A 60 -2.223 10.093 -6.154 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.923 12.537 -5.361 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.047 12.112 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.177 11.815 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.457 8.819 -2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.869 10.536 -2.223 1.00 0.00 H new ATOM 892 N GLY A 61 0.543 9.731 -4.764 1.00 0.00 N ATOM 893 CA GLY A 61 1.735 9.109 -4.182 1.00 0.00 C ATOM 894 C GLY A 61 1.362 8.226 -2.993 1.00 0.00 C ATOM 895 O GLY A 61 2.231 7.661 -2.326 1.00 0.00 O ATOM 0 H GLY A 61 0.055 9.155 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.245 8.512 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.434 9.882 -3.862 1.00 0.00 H new ATOM 899 N THR A 62 0.059 8.108 -2.741 1.00 0.00 N ATOM 900 CA THR A 62 -0.452 7.288 -1.640 1.00 0.00 C ATOM 901 C THR A 62 -1.623 6.437 -2.121 1.00 0.00 C ATOM 902 O THR A 62 -2.204 6.706 -3.173 1.00 0.00 O ATOM 903 CB THR A 62 -0.907 8.181 -0.482 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.195 8.707 -0.769 1.00 0.00 O ATOM 905 CG2 THR A 62 0.087 9.326 -0.295 1.00 0.00 C ATOM 0 H THR A 62 -0.667 8.572 -3.287 1.00 0.00 H new ATOM 0 HA THR A 62 0.348 6.634 -1.293 1.00 0.00 H new ATOM 0 HB THR A 62 -0.952 7.593 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.488 9.278 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.239 9.960 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.073 8.919 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.137 9.917 -1.209 1.00 0.00 H new ATOM 913 N ILE A 63 -1.970 5.412 -1.341 1.00 0.00 N ATOM 914 CA ILE A 63 -3.083 4.525 -1.692 1.00 0.00 C ATOM 915 C ILE A 63 -4.179 4.645 -0.635 1.00 0.00 C ATOM 916 O ILE A 63 -3.909 4.531 0.565 1.00 0.00 O ATOM 917 CB ILE A 63 -2.600 3.070 -1.750 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.375 2.956 -2.662 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.707 2.188 -2.336 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.754 1.557 -2.529 1.00 0.00 C ATOM 0 H ILE A 63 -1.500 5.175 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.472 4.814 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.345 2.750 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.663 3.139 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.641 3.716 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.365 1.154 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.594 2.251 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.951 2.530 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.117 1.482 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.450 1.391 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.488 0.804 -2.817 1.00 0.00 H new ATOM 932 N GLU A 64 -5.415 4.879 -1.085 1.00 0.00 N ATOM 933 CA GLU A 64 -6.556 5.014 -0.173 1.00 0.00 C ATOM 934 C GLU A 64 -7.408 3.745 -0.215 1.00 0.00 C ATOM 935 O GLU A 64 -7.261 2.923 -1.118 1.00 0.00 O ATOM 936 CB GLU A 64 -7.397 6.234 -0.575 1.00 0.00 C ATOM 937 CG GLU A 64 -8.462 6.507 0.493 1.00 0.00 C ATOM 938 CD GLU A 64 -9.146 7.843 0.227 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.967 8.373 -0.856 1.00 0.00 O ATOM 940 OE2 GLU A 64 -9.840 8.316 1.111 1.00 0.00 O ATOM 0 H GLU A 64 -5.651 4.979 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.191 5.156 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.755 7.107 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.873 6.057 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.201 5.706 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.002 6.516 1.481 1.00 0.00 H new ATOM 947 N PHE A 65 -8.288 3.583 0.772 1.00 0.00 N ATOM 948 CA PHE A 65 -9.138 2.399 0.835 1.00 0.00 C ATOM 949 C PHE A 65 -9.753 2.096 -0.531 1.00 0.00 C ATOM 950 O PHE A 65 -9.535 1.020 -1.089 1.00 0.00 O ATOM 951 CB PHE A 65 -10.253 2.614 1.868 1.00 0.00 C ATOM 952 CG PHE A 65 -11.247 1.472 1.800 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.885 0.204 2.271 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.524 1.683 1.267 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.802 -0.854 2.209 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.440 0.625 1.204 1.00 0.00 C ATOM 957 CZ PHE A 65 -13.081 -0.643 1.674 1.00 0.00 C ATOM 0 H PHE A 65 -8.429 4.250 1.531 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.523 1.550 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.826 2.677 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.759 3.560 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.900 0.041 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.803 2.661 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.524 -1.832 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.425 0.788 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.788 -1.458 1.625 1.00 0.00 H new ATOM 967 N ASP A 66 -10.528 3.036 -1.068 1.00 0.00 N ATOM 968 CA ASP A 66 -11.168 2.825 -2.364 1.00 0.00 C ATOM 969 C ASP A 66 -10.145 2.322 -3.375 1.00 0.00 C ATOM 970 O ASP A 66 -10.409 1.386 -4.134 1.00 0.00 O ATOM 971 CB ASP A 66 -11.783 4.135 -2.865 1.00 0.00 C ATOM 972 CG ASP A 66 -13.011 4.492 -2.033 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.476 3.633 -1.301 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.468 5.617 -2.141 1.00 0.00 O ATOM 0 H ASP A 66 -10.726 3.938 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.955 2.080 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.048 4.937 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.061 4.037 -3.914 1.00 0.00 H new ATOM 979 N GLU A 67 -8.968 2.932 -3.359 1.00 0.00 N ATOM 980 CA GLU A 67 -7.903 2.523 -4.261 1.00 0.00 C ATOM 981 C GLU A 67 -7.381 1.150 -3.863 1.00 0.00 C ATOM 982 O GLU A 67 -7.137 0.294 -4.710 1.00 0.00 O ATOM 983 CB GLU A 67 -6.768 3.545 -4.221 1.00 0.00 C ATOM 984 CG GLU A 67 -7.238 4.843 -4.874 1.00 0.00 C ATOM 985 CD GLU A 67 -6.144 5.894 -4.776 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.083 5.566 -4.271 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.381 7.011 -5.206 1.00 0.00 O ATOM 0 H GLU A 67 -8.729 3.704 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.298 2.469 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.466 3.731 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.894 3.156 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.491 4.664 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.143 5.200 -4.384 1.00 0.00 H new ATOM 994 N PHE A 68 -7.219 0.945 -2.561 1.00 0.00 N ATOM 995 CA PHE A 68 -6.733 -0.329 -2.059 1.00 0.00 C ATOM 996 C PHE A 68 -7.732 -1.437 -2.370 1.00 0.00 C ATOM 997 O PHE A 68 -7.341 -2.558 -2.694 1.00 0.00 O ATOM 998 CB PHE A 68 -6.483 -0.252 -0.549 1.00 0.00 C ATOM 999 CG PHE A 68 -5.729 -1.487 -0.090 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.430 -1.732 -0.562 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.321 -2.381 0.815 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.729 -2.865 -0.134 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.615 -3.515 1.242 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.321 -3.757 0.768 1.00 0.00 C ATOM 0 H PHE A 68 -7.416 1.640 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.790 -0.557 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.910 0.644 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.431 -0.175 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.971 -1.045 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.320 -2.196 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.730 -3.051 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.071 -4.203 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.779 -4.631 1.098 1.00 0.00 H new ATOM 1014 N LEU A 69 -9.023 -1.121 -2.283 1.00 0.00 N ATOM 1015 CA LEU A 69 -10.057 -2.107 -2.574 1.00 0.00 C ATOM 1016 C LEU A 69 -9.982 -2.548 -4.031 1.00 0.00 C ATOM 1017 O LEU A 69 -10.062 -3.740 -4.336 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.443 -1.498 -2.288 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.573 -2.429 -2.773 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.518 -3.757 -2.019 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.921 -1.762 -2.502 1.00 0.00 C ATOM 0 H LEU A 69 -9.373 -0.201 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.900 -2.978 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.550 -1.318 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.527 -0.531 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.450 -2.614 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.320 -4.407 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.556 -4.238 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.638 -3.574 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.725 -2.415 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.029 -1.581 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.972 -0.814 -3.037 1.00 0.00 H new ATOM 1033 N SER A 70 -9.826 -1.579 -4.928 1.00 0.00 N ATOM 1034 CA SER A 70 -9.743 -1.887 -6.350 1.00 0.00 C ATOM 1035 C SER A 70 -8.483 -2.687 -6.657 1.00 0.00 C ATOM 1036 O SER A 70 -8.519 -3.653 -7.419 1.00 0.00 O ATOM 1037 CB SER A 70 -9.748 -0.603 -7.176 1.00 0.00 C ATOM 1038 OG SER A 70 -10.919 0.144 -6.877 1.00 0.00 O ATOM 0 H SER A 70 -9.755 -0.587 -4.699 1.00 0.00 H new ATOM 0 HA SER A 70 -10.614 -2.486 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.859 -0.012 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.716 -0.841 -8.239 1.00 0.00 H new ATOM 0 HG SER A 70 -10.826 0.558 -5.993 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.368 -2.269 -6.068 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.095 -2.944 -6.293 1.00 0.00 C ATOM 1046 C LEU A 71 -6.152 -4.379 -5.790 1.00 0.00 C ATOM 1047 O LEU A 71 -5.682 -5.302 -6.457 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.975 -2.193 -5.569 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.610 -2.832 -5.876 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.312 -2.777 -7.387 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.523 -2.067 -5.112 1.00 0.00 C ATOM 0 H LEU A 71 -7.319 -1.471 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.895 -2.956 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.971 -1.148 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.156 -2.207 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.626 -3.877 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.342 -3.234 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.086 -3.320 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.297 -1.738 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.550 -2.511 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.522 -1.024 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.724 -2.121 -4.042 1.00 0.00 H new ATOM 1063 N MET A 72 -6.738 -4.568 -4.617 1.00 0.00 N ATOM 1064 CA MET A 72 -6.844 -5.908 -4.055 1.00 0.00 C ATOM 1065 C MET A 72 -7.638 -6.812 -4.994 1.00 0.00 C ATOM 1066 O MET A 72 -7.238 -7.947 -5.256 1.00 0.00 O ATOM 1067 CB MET A 72 -7.533 -5.860 -2.683 1.00 0.00 C ATOM 1068 CG MET A 72 -6.533 -5.469 -1.593 1.00 0.00 C ATOM 1069 SD MET A 72 -7.356 -5.563 0.016 1.00 0.00 S ATOM 1070 CE MET A 72 -7.101 -7.333 0.310 1.00 0.00 C ATOM 0 H MET A 72 -7.141 -3.826 -4.044 1.00 0.00 H new ATOM 0 HA MET A 72 -5.838 -6.311 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.353 -5.142 -2.706 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.967 -6.833 -2.454 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.671 -6.136 -1.615 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.160 -4.460 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.477 -7.595 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.636 -7.908 -0.446 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.037 -7.562 0.254 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.752 -6.304 -5.508 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.572 -7.086 -6.425 1.00 0.00 C ATOM 1082 C ALA A 73 -8.748 -7.507 -7.640 1.00 0.00 C ATOM 1083 O ALA A 73 -8.722 -8.676 -8.007 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.776 -6.264 -6.885 1.00 0.00 C ATOM 0 H ALA A 73 -9.105 -5.368 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.923 -7.977 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.382 -6.858 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.376 -5.983 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.429 -5.365 -7.394 1.00 0.00 H new