USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 133:sc= 0.898 USER MOD Set 1.2: A 56 SER OG : rot 141:sc= 0.0166 USER MOD Set 1.3: A 61 CYS SG : rot 69:sc= 1.01 USER MOD Set 1.4: A 66 CYS SG : rot 150:sc= 1.05 USER MOD Set 1.5: A 70 HIS : no HD1:sc= 0.029 K(o=3.5,f=3) USER MOD Set 1.6: A 76 LYS NZ :NH3+ -156:sc= 0.544 (180deg=0.259) USER MOD Set 2.1: A 19 CYS SG : rot 136:sc= 0.994 USER MOD Set 2.2: A 27 CYS SG : rot 142:sc= 0.8 USER MOD Set 2.3: A 34 CYS SG : rot 132:sc= 1.97 USER MOD Set 2.4: A 38 HIS : no HD1:sc= -0.107 K(o=3.7,f=1.9) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 23 GLN : amide:sc= 0.768 K(o=0.77,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0.222 USER MOD Single : A 44 GLN : amide:sc= 0.336 X(o=0.34,f=-0.056) USER MOD Single : A 47 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.56) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0.62 (180deg=0.041) USER MOD Single : A 62 SER OG : rot 67:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.32) USER MOD Single : A 77 THR OG1 : rot 76:sc= 0.00368 USER MOD Single : A 78 GLN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 82 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.861 8.795 11.710 1.00 0.00 N ATOM 143 CA ASP A 10 24.597 9.537 11.803 1.00 0.00 C ATOM 144 C ASP A 10 23.406 8.642 12.197 1.00 0.00 C ATOM 145 O ASP A 10 22.793 7.983 11.367 1.00 0.00 O ATOM 146 CB ASP A 10 24.371 10.212 10.436 1.00 0.00 C ATOM 147 CG ASP A 10 23.022 10.928 10.329 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.436 10.898 9.221 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.580 11.499 11.353 1.00 0.00 O ATOM 0 HA ASP A 10 24.664 10.279 12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.171 10.930 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.438 9.459 9.651 1.00 0.00 H new ATOM 154 N THR A 11 23.016 8.660 13.468 1.00 0.00 N ATOM 155 CA THR A 11 21.884 7.882 14.018 1.00 0.00 C ATOM 156 C THR A 11 20.501 8.330 13.523 1.00 0.00 C ATOM 157 O THR A 11 19.530 7.587 13.689 1.00 0.00 O ATOM 158 CB THR A 11 21.903 7.901 15.555 1.00 0.00 C ATOM 159 OG1 THR A 11 22.012 9.231 16.020 1.00 0.00 O ATOM 160 CG2 THR A 11 23.094 7.112 16.106 1.00 0.00 C ATOM 0 H THR A 11 23.485 9.229 14.173 1.00 0.00 H new ATOM 0 HA THR A 11 22.034 6.869 13.645 1.00 0.00 H new ATOM 0 HB THR A 11 20.974 7.445 15.898 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.022 9.235 17.000 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.079 7.144 17.195 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.030 6.076 15.773 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.022 7.553 15.742 1.00 0.00 H new ATOM 168 N LYS A 12 20.388 9.503 12.879 1.00 0.00 N ATOM 169 CA LYS A 12 19.130 10.041 12.322 1.00 0.00 C ATOM 170 C LYS A 12 18.445 9.089 11.327 1.00 0.00 C ATOM 171 O LYS A 12 17.221 9.113 11.201 1.00 0.00 O ATOM 172 CB LYS A 12 19.402 11.422 11.700 1.00 0.00 C ATOM 173 CG LYS A 12 18.122 12.212 11.387 1.00 0.00 C ATOM 174 CD LYS A 12 18.460 13.616 10.870 1.00 0.00 C ATOM 175 CE LYS A 12 17.174 14.388 10.558 1.00 0.00 C ATOM 176 NZ LYS A 12 17.475 15.747 10.059 1.00 0.00 N ATOM 0 H LYS A 12 21.186 10.120 12.726 1.00 0.00 H new ATOM 0 HA LYS A 12 18.420 10.145 13.143 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.022 12.004 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.974 11.292 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.533 11.678 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.508 12.288 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.045 14.155 11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.076 13.543 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.592 13.845 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.560 14.455 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.586 16.247 9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.010 16.271 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.041 15.680 9.189 1.00 0.00 H new ATOM 190 N TRP A 13 19.209 8.226 10.645 1.00 0.00 N ATOM 191 CA TRP A 13 18.646 7.217 9.736 1.00 0.00 C ATOM 192 C TRP A 13 18.258 5.914 10.459 1.00 0.00 C ATOM 193 O TRP A 13 17.451 5.152 9.930 1.00 0.00 O ATOM 194 CB TRP A 13 19.587 6.968 8.550 1.00 0.00 C ATOM 195 CG TRP A 13 20.750 6.042 8.756 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.018 6.417 9.034 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.791 4.583 8.631 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.837 5.305 9.088 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.139 4.152 8.821 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.837 3.580 8.346 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.526 2.812 8.693 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.214 2.230 8.218 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.557 1.848 8.380 1.00 0.00 C ATOM 0 H TRP A 13 20.227 8.206 10.706 1.00 0.00 H new ATOM 0 HA TRP A 13 17.713 7.621 9.342 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.990 6.576 7.727 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.981 7.932 8.228 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.343 7.435 9.191 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.834 5.336 9.299 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.800 3.854 8.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.558 2.525 8.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.467 1.483 7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.842 0.813 8.263 1.00 0.00 H new ATOM 214 N LEU A 14 18.777 5.679 11.673 1.00 0.00 N ATOM 215 CA LEU A 14 18.463 4.525 12.527 1.00 0.00 C ATOM 216 C LEU A 14 17.338 4.821 13.540 1.00 0.00 C ATOM 217 O LEU A 14 16.786 3.878 14.106 1.00 0.00 O ATOM 218 CB LEU A 14 19.729 4.037 13.266 1.00 0.00 C ATOM 219 CG LEU A 14 20.793 3.335 12.400 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.974 2.908 13.278 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.257 2.068 11.731 1.00 0.00 C ATOM 0 H LEU A 14 19.452 6.311 12.103 1.00 0.00 H new ATOM 0 HA LEU A 14 18.101 3.737 11.867 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.194 4.895 13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.422 3.351 14.055 1.00 0.00 H new ATOM 0 HG LEU A 14 21.090 4.051 11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.724 2.412 12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.414 3.787 13.749 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.625 2.221 14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.045 1.611 11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.928 1.364 12.496 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.415 2.324 11.088 1.00 0.00 H new ATOM 233 N THR A 15 16.975 6.082 13.799 1.00 0.00 N ATOM 234 CA THR A 15 15.891 6.416 14.745 1.00 0.00 C ATOM 235 C THR A 15 14.476 6.264 14.161 1.00 0.00 C ATOM 236 O THR A 15 14.242 6.457 12.965 1.00 0.00 O ATOM 237 CB THR A 15 15.992 7.861 15.275 1.00 0.00 C ATOM 238 OG1 THR A 15 16.397 8.769 14.276 1.00 0.00 O ATOM 239 CG2 THR A 15 16.965 7.989 16.441 1.00 0.00 C ATOM 0 H THR A 15 17.415 6.895 13.368 1.00 0.00 H new ATOM 0 HA THR A 15 16.034 5.691 15.546 1.00 0.00 H new ATOM 0 HB THR A 15 14.984 8.105 15.612 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.446 9.672 14.655 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.998 9.026 16.775 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.634 7.353 17.262 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.960 7.679 16.120 1.00 0.00 H new ATOM 247 N LEU A 16 13.508 5.983 15.046 1.00 0.00 N ATOM 248 CA LEU A 16 12.062 5.919 14.782 1.00 0.00 C ATOM 249 C LEU A 16 11.333 6.706 15.884 1.00 0.00 C ATOM 250 O LEU A 16 11.782 6.753 17.030 1.00 0.00 O ATOM 251 CB LEU A 16 11.567 4.462 14.690 1.00 0.00 C ATOM 252 CG LEU A 16 11.941 3.728 13.384 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.465 2.277 13.453 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.309 4.354 12.133 1.00 0.00 C ATOM 0 H LEU A 16 13.726 5.783 16.022 1.00 0.00 H new ATOM 0 HA LEU A 16 11.845 6.370 13.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.973 3.902 15.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.482 4.455 14.795 1.00 0.00 H new ATOM 0 HG LEU A 16 13.025 3.802 13.299 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.731 1.763 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.941 1.778 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.383 2.255 13.582 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.612 3.790 11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.223 4.330 12.223 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.642 5.387 12.035 1.00 0.00 H new ATOM 266 N GLU A 17 10.232 7.365 15.524 1.00 0.00 N ATOM 267 CA GLU A 17 9.465 8.233 16.428 1.00 0.00 C ATOM 268 C GLU A 17 8.523 7.462 17.366 1.00 0.00 C ATOM 269 O GLU A 17 7.868 6.493 16.969 1.00 0.00 O ATOM 270 CB GLU A 17 8.667 9.269 15.617 1.00 0.00 C ATOM 271 CG GLU A 17 9.554 10.117 14.690 1.00 0.00 C ATOM 272 CD GLU A 17 8.774 11.256 14.020 1.00 0.00 C ATOM 273 OE1 GLU A 17 7.788 10.962 13.303 1.00 0.00 O ATOM 274 OE2 GLU A 17 9.182 12.427 14.208 1.00 0.00 O ATOM 0 H GLU A 17 9.839 7.313 14.584 1.00 0.00 H new ATOM 0 HA GLU A 17 10.194 8.734 17.064 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.915 8.754 15.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.134 9.927 16.303 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.381 10.535 15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.990 9.477 13.923 1.00 0.00 H new ATOM 281 N VAL A 18 8.428 7.930 18.613 1.00 0.00 N ATOM 282 CA VAL A 18 7.535 7.391 19.649 1.00 0.00 C ATOM 283 C VAL A 18 6.127 7.971 19.456 1.00 0.00 C ATOM 284 O VAL A 18 5.976 9.157 19.147 1.00 0.00 O ATOM 285 CB VAL A 18 8.089 7.703 21.057 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.170 7.213 22.181 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.452 7.027 21.248 1.00 0.00 C ATOM 0 H VAL A 18 8.986 8.718 18.942 1.00 0.00 H new ATOM 0 HA VAL A 18 7.479 6.306 19.556 1.00 0.00 H new ATOM 0 HB VAL A 18 8.167 8.789 21.117 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.612 7.461 23.146 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.197 7.697 22.092 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.046 6.133 22.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.834 7.253 22.244 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.342 5.948 21.138 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.151 7.399 20.498 1.00 0.00 H new ATOM 297 N CYS A 19 5.094 7.143 19.634 1.00 0.00 N ATOM 298 CA CYS A 19 3.693 7.536 19.480 1.00 0.00 C ATOM 299 C CYS A 19 3.316 8.708 20.413 1.00 0.00 C ATOM 300 O CYS A 19 3.644 8.722 21.608 1.00 0.00 O ATOM 301 CB CYS A 19 2.833 6.284 19.702 1.00 0.00 C ATOM 302 SG CYS A 19 1.070 6.538 19.317 1.00 0.00 S ATOM 0 H CYS A 19 5.211 6.164 19.894 1.00 0.00 H new ATOM 0 HA CYS A 19 3.513 7.919 18.476 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.219 5.473 19.084 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.928 5.966 20.740 1.00 0.00 H new ATOM 0 HG CYS A 19 0.624 5.524 18.637 1.00 0.00 H new ATOM 307 N ARG A 20 2.639 9.724 19.864 1.00 0.00 N ATOM 308 CA ARG A 20 2.207 10.922 20.608 1.00 0.00 C ATOM 309 C ARG A 20 1.174 10.574 21.679 1.00 0.00 C ATOM 310 O ARG A 20 1.261 11.053 22.807 1.00 0.00 O ATOM 311 CB ARG A 20 1.644 11.976 19.640 1.00 0.00 C ATOM 312 CG ARG A 20 2.719 12.534 18.694 1.00 0.00 C ATOM 313 CD ARG A 20 2.126 13.607 17.770 1.00 0.00 C ATOM 314 NE ARG A 20 3.138 14.144 16.841 1.00 0.00 N ATOM 315 CZ ARG A 20 3.979 15.140 17.073 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.821 15.513 16.148 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.018 15.790 18.207 1.00 0.00 N ATOM 0 H ARG A 20 2.371 9.741 18.880 1.00 0.00 H new ATOM 0 HA ARG A 20 3.080 11.335 21.113 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.840 11.533 19.052 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.207 12.794 20.212 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.537 12.960 19.276 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.140 11.725 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.299 13.182 17.202 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.716 14.419 18.371 1.00 0.00 H new ATOM 0 HE ARG A 20 3.196 13.702 15.924 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.831 15.037 15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.469 16.280 16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.381 15.536 18.962 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.685 16.551 18.336 1.00 0.00 H new ATOM 331 N GLU A 21 0.223 9.703 21.354 1.00 0.00 N ATOM 332 CA GLU A 21 -0.814 9.255 22.289 1.00 0.00 C ATOM 333 C GLU A 21 -0.245 8.299 23.356 1.00 0.00 C ATOM 334 O GLU A 21 -0.745 8.270 24.480 1.00 0.00 O ATOM 335 CB GLU A 21 -2.002 8.660 21.515 1.00 0.00 C ATOM 336 CG GLU A 21 -2.947 9.729 20.938 1.00 0.00 C ATOM 337 CD GLU A 21 -2.262 10.701 19.967 1.00 0.00 C ATOM 338 OE1 GLU A 21 -1.936 11.831 20.406 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.065 10.324 18.788 1.00 0.00 O ATOM 0 H GLU A 21 0.147 9.283 20.428 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.187 10.118 22.841 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.624 8.041 20.701 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.567 8.004 22.178 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.769 9.233 20.422 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.383 10.297 21.760 1.00 0.00 H new ATOM 346 N PHE A 22 0.838 7.566 23.070 1.00 0.00 N ATOM 347 CA PHE A 22 1.518 6.722 24.062 1.00 0.00 C ATOM 348 C PHE A 22 2.179 7.593 25.142 1.00 0.00 C ATOM 349 O PHE A 22 2.048 7.315 26.335 1.00 0.00 O ATOM 350 CB PHE A 22 2.546 5.841 23.349 1.00 0.00 C ATOM 351 CG PHE A 22 3.329 4.886 24.229 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.689 5.133 24.507 1.00 0.00 C ATOM 353 CD2 PHE A 22 2.713 3.724 24.732 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.426 4.222 25.285 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.450 2.817 25.514 1.00 0.00 C ATOM 356 CZ PHE A 22 4.807 3.065 25.788 1.00 0.00 C ATOM 0 H PHE A 22 1.268 7.541 22.145 1.00 0.00 H new ATOM 0 HA PHE A 22 0.792 6.080 24.560 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.029 5.259 22.586 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.253 6.489 22.831 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.165 6.023 24.122 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.673 3.529 24.517 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.468 4.412 25.496 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.974 1.930 25.904 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.374 2.366 26.385 1.00 0.00 H new ATOM 366 N GLN A 23 2.829 8.691 24.734 1.00 0.00 N ATOM 367 CA GLN A 23 3.441 9.675 25.641 1.00 0.00 C ATOM 368 C GLN A 23 2.377 10.403 26.488 1.00 0.00 C ATOM 369 O GLN A 23 2.609 10.681 27.668 1.00 0.00 O ATOM 370 CB GLN A 23 4.283 10.668 24.822 1.00 0.00 C ATOM 371 CG GLN A 23 5.550 10.001 24.264 1.00 0.00 C ATOM 372 CD GLN A 23 6.201 10.837 23.167 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.078 11.659 23.400 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.794 10.655 21.931 1.00 0.00 N ATOM 0 H GLN A 23 2.947 8.926 23.748 1.00 0.00 H new ATOM 0 HA GLN A 23 4.092 9.151 26.341 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.686 11.063 24.000 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.562 11.515 25.449 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.264 9.845 25.073 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.297 9.017 23.868 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.064 9.972 21.730 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.208 11.197 21.173 1.00 0.00 H new ATOM 383 N ARG A 24 1.193 10.671 25.912 1.00 0.00 N ATOM 384 CA ARG A 24 0.030 11.271 26.604 1.00 0.00 C ATOM 385 C ARG A 24 -0.697 10.281 27.532 1.00 0.00 C ATOM 386 O ARG A 24 -1.483 10.705 28.380 1.00 0.00 O ATOM 387 CB ARG A 24 -0.967 11.813 25.564 1.00 0.00 C ATOM 388 CG ARG A 24 -0.450 13.055 24.817 1.00 0.00 C ATOM 389 CD ARG A 24 -1.344 13.405 23.619 1.00 0.00 C ATOM 390 NE ARG A 24 -2.693 13.822 24.043 1.00 0.00 N ATOM 391 CZ ARG A 24 -3.786 13.840 23.297 1.00 0.00 C ATOM 392 NH1 ARG A 24 -4.914 14.260 23.803 1.00 0.00 N ATOM 393 NH2 ARG A 24 -3.807 13.453 22.049 1.00 0.00 N ATOM 0 H ARG A 24 1.009 10.473 24.928 1.00 0.00 H new ATOM 0 HA ARG A 24 0.417 12.076 27.229 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.190 11.029 24.841 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.904 12.061 26.063 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.410 13.902 25.502 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.568 12.876 24.472 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.881 14.206 23.042 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.422 12.541 22.959 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.794 14.128 25.011 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.952 14.574 24.773 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.757 14.274 23.229 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.953 13.116 21.605 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.678 13.487 21.519 1.00 0.00 H new ATOM 407 N GLY A 25 -0.454 8.976 27.377 1.00 0.00 N ATOM 408 CA GLY A 25 -1.084 7.904 28.156 1.00 0.00 C ATOM 409 C GLY A 25 -2.506 7.561 27.686 1.00 0.00 C ATOM 410 O GLY A 25 -3.349 7.192 28.507 1.00 0.00 O ATOM 0 H GLY A 25 0.207 8.625 26.684 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.464 7.009 28.096 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.117 8.199 29.205 1.00 0.00 H new ATOM 414 N THR A 26 -2.793 7.717 26.387 1.00 0.00 N ATOM 415 CA THR A 26 -4.123 7.519 25.775 1.00 0.00 C ATOM 416 C THR A 26 -4.171 6.522 24.604 1.00 0.00 C ATOM 417 O THR A 26 -5.271 6.097 24.237 1.00 0.00 O ATOM 418 CB THR A 26 -4.714 8.864 25.315 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.831 9.520 24.428 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.976 9.818 26.481 1.00 0.00 C ATOM 0 H THR A 26 -2.085 7.994 25.706 1.00 0.00 H new ATOM 0 HA THR A 26 -4.721 7.075 26.571 1.00 0.00 H new ATOM 0 HB THR A 26 -5.658 8.622 24.826 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.224 10.372 24.145 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.392 10.751 26.101 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.683 9.361 27.174 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.040 10.023 27.001 1.00 0.00 H new ATOM 428 N CYS A 27 -3.032 6.112 24.026 1.00 0.00 N ATOM 429 CA CYS A 27 -2.987 5.126 22.934 1.00 0.00 C ATOM 430 C CYS A 27 -3.484 3.739 23.412 1.00 0.00 C ATOM 431 O CYS A 27 -3.263 3.351 24.568 1.00 0.00 O ATOM 432 CB CYS A 27 -1.557 5.071 22.360 1.00 0.00 C ATOM 433 SG CYS A 27 -1.486 4.240 20.735 1.00 0.00 S ATOM 0 H CYS A 27 -2.113 6.456 24.303 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.664 5.433 22.137 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.169 6.085 22.263 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.908 4.547 23.061 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.629 4.851 19.972 1.00 0.00 H new ATOM 438 N SER A 28 -4.156 2.989 22.532 1.00 0.00 N ATOM 439 CA SER A 28 -4.714 1.658 22.826 1.00 0.00 C ATOM 440 C SER A 28 -4.543 0.661 21.663 1.00 0.00 C ATOM 441 O SER A 28 -5.502 0.074 21.150 1.00 0.00 O ATOM 442 CB SER A 28 -6.177 1.795 23.288 1.00 0.00 C ATOM 443 OG SER A 28 -6.975 2.519 22.356 1.00 0.00 O ATOM 0 H SER A 28 -4.333 3.294 21.575 1.00 0.00 H new ATOM 0 HA SER A 28 -4.139 1.225 23.644 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.604 0.803 23.434 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.204 2.299 24.254 1.00 0.00 H new ATOM 0 HG SER A 28 -7.894 2.579 22.690 1.00 0.00 H new ATOM 449 N ARG A 29 -3.279 0.419 21.290 1.00 0.00 N ATOM 450 CA ARG A 29 -2.827 -0.545 20.265 1.00 0.00 C ATOM 451 C ARG A 29 -1.432 -1.082 20.623 1.00 0.00 C ATOM 452 O ARG A 29 -0.638 -0.341 21.213 1.00 0.00 O ATOM 453 CB ARG A 29 -2.735 0.123 18.874 1.00 0.00 C ATOM 454 CG ARG A 29 -4.089 0.555 18.289 1.00 0.00 C ATOM 455 CD ARG A 29 -3.995 0.931 16.803 1.00 0.00 C ATOM 456 NE ARG A 29 -3.058 2.042 16.561 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.090 2.909 15.565 1.00 0.00 C ATOM 458 NH1 ARG A 29 -4.021 2.909 14.643 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.159 3.816 15.475 1.00 0.00 N ATOM 0 H ARG A 29 -2.497 0.916 21.716 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.556 -1.355 20.236 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.088 0.997 18.946 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.258 -0.571 18.182 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.809 -0.255 18.411 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.469 1.407 18.853 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.676 0.060 16.230 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.984 1.208 16.438 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.302 2.154 17.236 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.769 2.216 14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.998 3.602 13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.414 3.852 16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.176 4.490 14.709 1.00 0.00 H new ATOM 473 N PRO A 30 -1.091 -2.334 20.267 1.00 0.00 N ATOM 474 CA PRO A 30 0.248 -2.868 20.503 1.00 0.00 C ATOM 475 C PRO A 30 1.252 -2.229 19.530 1.00 0.00 C ATOM 476 O PRO A 30 0.881 -1.775 18.444 1.00 0.00 O ATOM 477 CB PRO A 30 0.118 -4.377 20.266 1.00 0.00 C ATOM 478 CG PRO A 30 -0.987 -4.472 19.214 1.00 0.00 C ATOM 479 CD PRO A 30 -1.921 -3.317 19.580 1.00 0.00 C ATOM 0 HA PRO A 30 0.616 -2.653 21.506 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.052 -4.810 19.909 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.150 -4.907 21.180 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.591 -4.365 18.204 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.500 -5.433 19.255 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.379 -2.887 18.689 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.733 -3.659 20.222 1.00 0.00 H new ATOM 487 N ASP A 31 2.542 -2.243 19.886 1.00 0.00 N ATOM 488 CA ASP A 31 3.639 -1.743 19.035 1.00 0.00 C ATOM 489 C ASP A 31 3.596 -2.344 17.613 1.00 0.00 C ATOM 490 O ASP A 31 3.956 -1.690 16.637 1.00 0.00 O ATOM 491 CB ASP A 31 4.973 -2.080 19.721 1.00 0.00 C ATOM 492 CG ASP A 31 6.183 -1.506 18.977 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.816 -2.269 18.213 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.488 -0.310 19.195 1.00 0.00 O ATOM 0 H ASP A 31 2.862 -2.606 20.784 1.00 0.00 H new ATOM 0 HA ASP A 31 3.529 -0.665 18.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.961 -1.692 20.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.076 -3.163 19.793 1.00 0.00 H new ATOM 499 N THR A 32 3.129 -3.591 17.511 1.00 0.00 N ATOM 500 CA THR A 32 2.959 -4.386 16.291 1.00 0.00 C ATOM 501 C THR A 32 1.933 -3.834 15.296 1.00 0.00 C ATOM 502 O THR A 32 2.024 -4.126 14.105 1.00 0.00 O ATOM 503 CB THR A 32 2.513 -5.814 16.665 1.00 0.00 C ATOM 504 OG1 THR A 32 3.121 -6.245 17.869 1.00 0.00 O ATOM 505 CG2 THR A 32 2.860 -6.855 15.599 1.00 0.00 C ATOM 0 H THR A 32 2.838 -4.110 18.340 1.00 0.00 H new ATOM 0 HA THR A 32 3.932 -4.359 15.800 1.00 0.00 H new ATOM 0 HB THR A 32 1.430 -5.747 16.767 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.818 -7.152 18.082 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.519 -7.837 15.925 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.369 -6.593 14.661 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.940 -6.877 15.450 1.00 0.00 H new ATOM 513 N GLU A 33 0.952 -3.047 15.752 1.00 0.00 N ATOM 514 CA GLU A 33 -0.135 -2.513 14.910 1.00 0.00 C ATOM 515 C GLU A 33 -0.200 -0.979 14.861 1.00 0.00 C ATOM 516 O GLU A 33 -0.779 -0.433 13.916 1.00 0.00 O ATOM 517 CB GLU A 33 -1.485 -3.076 15.384 1.00 0.00 C ATOM 518 CG GLU A 33 -1.587 -4.600 15.231 1.00 0.00 C ATOM 519 CD GLU A 33 -2.988 -5.097 15.608 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.812 -5.301 14.684 1.00 0.00 O ATOM 521 OE2 GLU A 33 -3.244 -5.270 16.824 1.00 0.00 O ATOM 0 H GLU A 33 0.886 -2.757 16.728 1.00 0.00 H new ATOM 0 HA GLU A 33 0.085 -2.838 13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.636 -2.811 16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.288 -2.605 14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.362 -4.882 14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.843 -5.083 15.864 1.00 0.00 H new ATOM 528 N CYS A 34 0.392 -0.280 15.836 1.00 0.00 N ATOM 529 CA CYS A 34 0.412 1.186 15.847 1.00 0.00 C ATOM 530 C CYS A 34 1.350 1.753 14.755 1.00 0.00 C ATOM 531 O CYS A 34 2.297 1.095 14.302 1.00 0.00 O ATOM 532 CB CYS A 34 0.751 1.685 17.262 1.00 0.00 C ATOM 533 SG CYS A 34 0.185 3.406 17.520 1.00 0.00 S ATOM 0 H CYS A 34 0.866 -0.709 16.631 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.579 1.563 15.595 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.284 1.033 18.000 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.828 1.627 17.421 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.466 3.485 18.643 1.00 0.00 H new ATOM 538 N LYS A 35 1.085 2.990 14.320 1.00 0.00 N ATOM 539 CA LYS A 35 1.854 3.708 13.283 1.00 0.00 C ATOM 540 C LYS A 35 3.217 4.233 13.766 1.00 0.00 C ATOM 541 O LYS A 35 4.019 4.680 12.944 1.00 0.00 O ATOM 542 CB LYS A 35 1.007 4.869 12.727 1.00 0.00 C ATOM 543 CG LYS A 35 -0.327 4.446 12.078 1.00 0.00 C ATOM 544 CD LYS A 35 -0.208 3.418 10.938 1.00 0.00 C ATOM 545 CE LYS A 35 0.723 3.848 9.796 1.00 0.00 C ATOM 546 NZ LYS A 35 0.219 5.050 9.096 1.00 0.00 N ATOM 0 H LYS A 35 0.308 3.540 14.687 1.00 0.00 H new ATOM 0 HA LYS A 35 2.074 2.981 12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.795 5.566 13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.598 5.410 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.973 4.032 12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.822 5.337 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.153 2.476 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.201 3.228 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.717 4.050 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.826 3.029 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.876 5.308 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.719 4.850 8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.145 5.839 9.770 1.00 0.00 H new ATOM 560 N PHE A 36 3.481 4.175 15.071 1.00 0.00 N ATOM 561 CA PHE A 36 4.695 4.661 15.737 1.00 0.00 C ATOM 562 C PHE A 36 5.198 3.675 16.813 1.00 0.00 C ATOM 563 O PHE A 36 4.624 2.598 17.004 1.00 0.00 O ATOM 564 CB PHE A 36 4.403 6.056 16.312 1.00 0.00 C ATOM 565 CG PHE A 36 4.130 7.128 15.273 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.185 7.625 14.486 1.00 0.00 C ATOM 567 CD2 PHE A 36 2.826 7.630 15.092 1.00 0.00 C ATOM 568 CE1 PHE A 36 4.941 8.621 13.523 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.581 8.623 14.126 1.00 0.00 C ATOM 570 CZ PHE A 36 3.638 9.119 13.342 1.00 0.00 C ATOM 0 H PHE A 36 2.819 3.766 15.730 1.00 0.00 H new ATOM 0 HA PHE A 36 5.506 4.734 15.013 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.542 5.987 16.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.252 6.368 16.921 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.185 7.241 14.622 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.014 7.252 15.695 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.754 9.003 12.923 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.580 9.005 13.986 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.449 9.882 12.601 1.00 0.00 H new ATOM 580 N ALA A 37 6.300 4.009 17.492 1.00 0.00 N ATOM 581 CA ALA A 37 6.950 3.131 18.466 1.00 0.00 C ATOM 582 C ALA A 37 6.426 3.302 19.910 1.00 0.00 C ATOM 583 O ALA A 37 6.139 4.416 20.354 1.00 0.00 O ATOM 584 CB ALA A 37 8.455 3.441 18.406 1.00 0.00 C ATOM 0 H ALA A 37 6.770 4.907 17.378 1.00 0.00 H new ATOM 0 HA ALA A 37 6.728 2.096 18.205 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.985 2.809 19.118 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.827 3.246 17.400 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.621 4.489 18.657 1.00 0.00 H new ATOM 590 N HIS A 38 6.340 2.188 20.648 1.00 0.00 N ATOM 591 CA HIS A 38 5.925 2.087 22.059 1.00 0.00 C ATOM 592 C HIS A 38 7.058 1.476 22.926 1.00 0.00 C ATOM 593 O HIS A 38 6.960 0.315 23.343 1.00 0.00 O ATOM 594 CB HIS A 38 4.612 1.289 22.181 1.00 0.00 C ATOM 595 CG HIS A 38 3.408 1.864 21.474 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.292 1.162 21.076 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.187 3.175 21.145 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.434 2.027 20.507 1.00 0.00 C ATOM 599 NE2 HIS A 38 1.939 3.270 20.519 1.00 0.00 N ATOM 0 H HIS A 38 6.572 1.276 20.255 1.00 0.00 H new ATOM 0 HA HIS A 38 5.735 3.091 22.439 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.786 0.284 21.796 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.371 1.188 23.239 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.862 3.996 21.336 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.472 1.758 20.097 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.502 4.113 20.147 1.00 0.00 H new ATOM 607 N PRO A 39 8.165 2.204 23.179 1.00 0.00 N ATOM 608 CA PRO A 39 9.308 1.714 23.955 1.00 0.00 C ATOM 609 C PRO A 39 9.031 1.580 25.461 1.00 0.00 C ATOM 610 O PRO A 39 8.080 2.150 26.003 1.00 0.00 O ATOM 611 CB PRO A 39 10.429 2.720 23.704 1.00 0.00 C ATOM 612 CG PRO A 39 9.663 4.027 23.500 1.00 0.00 C ATOM 613 CD PRO A 39 8.416 3.572 22.746 1.00 0.00 C ATOM 0 HA PRO A 39 9.560 0.703 23.636 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.116 2.780 24.548 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.022 2.456 22.828 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.412 4.501 24.449 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.242 4.750 22.926 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.566 4.216 22.972 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.573 3.618 21.668 1.00 0.00 H new ATOM 621 N SER A 40 9.920 0.858 26.146 1.00 0.00 N ATOM 622 CA SER A 40 9.914 0.644 27.599 1.00 0.00 C ATOM 623 C SER A 40 11.014 1.483 28.263 1.00 0.00 C ATOM 624 O SER A 40 11.908 2.007 27.591 1.00 0.00 O ATOM 625 CB SER A 40 10.125 -0.847 27.908 1.00 0.00 C ATOM 626 OG SER A 40 9.060 -1.623 27.377 1.00 0.00 O ATOM 0 H SER A 40 10.698 0.385 25.686 1.00 0.00 H new ATOM 0 HA SER A 40 8.949 0.956 27.999 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.072 -1.181 27.484 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.188 -0.995 28.986 1.00 0.00 H new ATOM 0 HG SER A 40 9.211 -2.569 27.581 1.00 0.00 H new ATOM 632 N LYS A 41 10.984 1.597 29.597 1.00 0.00 N ATOM 633 CA LYS A 41 11.964 2.371 30.396 1.00 0.00 C ATOM 634 C LYS A 41 13.429 1.963 30.173 1.00 0.00 C ATOM 635 O LYS A 41 14.334 2.781 30.349 1.00 0.00 O ATOM 636 CB LYS A 41 11.603 2.298 31.892 1.00 0.00 C ATOM 637 CG LYS A 41 10.263 2.981 32.211 1.00 0.00 C ATOM 638 CD LYS A 41 9.971 2.937 33.719 1.00 0.00 C ATOM 639 CE LYS A 41 8.615 3.567 34.066 1.00 0.00 C ATOM 640 NZ LYS A 41 8.601 5.025 33.819 1.00 0.00 N ATOM 0 H LYS A 41 10.268 1.149 30.169 1.00 0.00 H new ATOM 0 HA LYS A 41 11.893 3.400 30.042 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.557 1.254 32.200 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.394 2.768 32.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.288 4.016 31.871 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.459 2.486 31.666 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.987 1.902 34.060 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.761 3.462 34.256 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.833 3.092 33.474 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.384 3.375 35.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.685 5.418 34.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.363 5.477 34.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.745 5.207 32.805 1.00 0.00 H new ATOM 654 N SER A 42 13.658 0.713 29.775 1.00 0.00 N ATOM 655 CA SER A 42 14.979 0.137 29.480 1.00 0.00 C ATOM 656 C SER A 42 15.546 0.530 28.102 1.00 0.00 C ATOM 657 O SER A 42 16.744 0.356 27.869 1.00 0.00 O ATOM 658 CB SER A 42 14.900 -1.397 29.542 1.00 0.00 C ATOM 659 OG SER A 42 14.328 -1.836 30.767 1.00 0.00 O ATOM 0 H SER A 42 12.901 0.042 29.642 1.00 0.00 H new ATOM 0 HA SER A 42 15.651 0.543 30.236 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.305 -1.767 28.707 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.899 -1.819 29.433 1.00 0.00 H new ATOM 0 HG SER A 42 14.289 -2.815 30.777 1.00 0.00 H new ATOM 665 N CYS A 43 14.722 1.043 27.180 1.00 0.00 N ATOM 666 CA CYS A 43 15.150 1.439 25.835 1.00 0.00 C ATOM 667 C CYS A 43 15.880 2.799 25.826 1.00 0.00 C ATOM 668 O CYS A 43 15.665 3.640 26.704 1.00 0.00 O ATOM 669 CB CYS A 43 13.916 1.506 24.920 1.00 0.00 C ATOM 670 SG CYS A 43 13.057 -0.096 24.843 1.00 0.00 S ATOM 0 H CYS A 43 13.728 1.196 27.350 1.00 0.00 H new ATOM 0 HA CYS A 43 15.858 0.693 25.474 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.231 2.270 25.286 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.221 1.805 23.917 1.00 0.00 H new ATOM 0 HG CYS A 43 12.022 0.004 24.063 1.00 0.00 H new ATOM 676 N GLN A 44 16.709 3.049 24.804 1.00 0.00 N ATOM 677 CA GLN A 44 17.450 4.306 24.596 1.00 0.00 C ATOM 678 C GLN A 44 16.539 5.442 24.055 1.00 0.00 C ATOM 679 O GLN A 44 16.837 6.081 23.044 1.00 0.00 O ATOM 680 CB GLN A 44 18.705 4.040 23.722 1.00 0.00 C ATOM 681 CG GLN A 44 19.978 4.704 24.273 1.00 0.00 C ATOM 682 CD GLN A 44 19.841 6.197 24.572 1.00 0.00 C ATOM 683 OE1 GLN A 44 19.811 6.618 25.720 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.743 7.044 23.570 1.00 0.00 N ATOM 0 H GLN A 44 16.890 2.361 24.073 1.00 0.00 H new ATOM 0 HA GLN A 44 17.802 4.673 25.560 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.867 2.965 23.648 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.520 4.405 22.712 1.00 0.00 H new ATOM 0 HG2 GLN A 44 20.273 4.190 25.188 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.785 4.564 23.554 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.767 6.702 22.609 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.643 8.042 23.754 1.00 0.00 H new ATOM 693 N VAL A 45 15.390 5.674 24.700 1.00 0.00 N ATOM 694 CA VAL A 45 14.417 6.717 24.321 1.00 0.00 C ATOM 695 C VAL A 45 15.036 8.100 24.558 1.00 0.00 C ATOM 696 O VAL A 45 15.540 8.384 25.647 1.00 0.00 O ATOM 697 CB VAL A 45 13.088 6.591 25.095 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.004 7.455 24.431 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.576 5.145 25.145 1.00 0.00 C ATOM 0 H VAL A 45 15.101 5.135 25.516 1.00 0.00 H new ATOM 0 HA VAL A 45 14.184 6.586 23.264 1.00 0.00 H new ATOM 0 HB VAL A 45 13.288 6.928 26.112 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.071 7.358 24.986 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.320 8.498 24.431 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.852 7.122 23.404 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.639 5.110 25.700 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.410 4.782 24.131 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.315 4.514 25.640 1.00 0.00 H new ATOM 709 N GLU A 46 15.022 8.960 23.541 1.00 0.00 N ATOM 710 CA GLU A 46 15.638 10.291 23.574 1.00 0.00 C ATOM 711 C GLU A 46 14.897 11.277 22.650 1.00 0.00 C ATOM 712 O GLU A 46 14.649 10.977 21.483 1.00 0.00 O ATOM 713 CB GLU A 46 17.108 10.119 23.151 1.00 0.00 C ATOM 714 CG GLU A 46 17.981 11.346 23.435 1.00 0.00 C ATOM 715 CD GLU A 46 19.453 11.064 23.093 1.00 0.00 C ATOM 716 OE1 GLU A 46 20.036 11.848 22.306 1.00 0.00 O ATOM 717 OE2 GLU A 46 20.002 10.063 23.618 1.00 0.00 O ATOM 0 H GLU A 46 14.573 8.749 22.650 1.00 0.00 H new ATOM 0 HA GLU A 46 15.577 10.715 24.576 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.528 9.258 23.671 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.146 9.897 22.085 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.624 12.194 22.851 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.894 11.623 24.486 1.00 0.00 H new ATOM 724 N ASN A 47 14.546 12.461 23.170 1.00 0.00 N ATOM 725 CA ASN A 47 13.843 13.542 22.455 1.00 0.00 C ATOM 726 C ASN A 47 12.619 13.091 21.609 1.00 0.00 C ATOM 727 O ASN A 47 12.381 13.608 20.516 1.00 0.00 O ATOM 728 CB ASN A 47 14.896 14.353 21.669 1.00 0.00 C ATOM 729 CG ASN A 47 14.376 15.694 21.162 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.610 16.388 21.818 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.789 16.115 19.987 1.00 0.00 N ATOM 0 H ASN A 47 14.751 12.704 24.139 1.00 0.00 H new ATOM 0 HA ASN A 47 13.362 14.187 23.191 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.761 14.526 22.309 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.240 13.761 20.821 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.471 17.015 19.627 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.427 15.542 19.435 1.00 0.00 H new ATOM 738 N GLY A 48 11.846 12.108 22.092 1.00 0.00 N ATOM 739 CA GLY A 48 10.654 11.571 21.408 1.00 0.00 C ATOM 740 C GLY A 48 10.933 10.517 20.323 1.00 0.00 C ATOM 741 O GLY A 48 10.036 10.175 19.550 1.00 0.00 O ATOM 0 H GLY A 48 12.033 11.653 22.986 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.994 11.131 22.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.113 12.401 20.954 1.00 0.00 H new ATOM 745 N ARG A 49 12.167 10.005 20.242 1.00 0.00 N ATOM 746 CA ARG A 49 12.639 8.997 19.276 1.00 0.00 C ATOM 747 C ARG A 49 13.407 7.879 19.990 1.00 0.00 C ATOM 748 O ARG A 49 13.790 8.019 21.151 1.00 0.00 O ATOM 749 CB ARG A 49 13.547 9.662 18.212 1.00 0.00 C ATOM 750 CG ARG A 49 12.821 10.546 17.182 1.00 0.00 C ATOM 751 CD ARG A 49 12.598 11.994 17.631 1.00 0.00 C ATOM 752 NE ARG A 49 11.733 12.724 16.686 1.00 0.00 N ATOM 753 CZ ARG A 49 11.199 13.920 16.882 1.00 0.00 C ATOM 754 NH1 ARG A 49 10.421 14.444 15.975 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.400 14.624 17.964 1.00 0.00 N ATOM 0 H ARG A 49 12.906 10.297 20.882 1.00 0.00 H new ATOM 0 HA ARG A 49 11.769 8.562 18.784 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.293 10.269 18.724 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.085 8.879 17.678 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.397 10.551 16.256 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.854 10.097 16.954 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.145 12.003 18.622 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.558 12.503 17.714 1.00 0.00 H new ATOM 0 HE ARG A 49 11.527 12.265 15.799 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.224 13.932 15.115 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.010 15.365 16.126 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.993 14.257 18.708 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.964 15.541 18.064 1.00 0.00 H new ATOM 769 N VAL A 50 13.667 6.779 19.287 1.00 0.00 N ATOM 770 CA VAL A 50 14.489 5.659 19.780 1.00 0.00 C ATOM 771 C VAL A 50 15.329 5.164 18.615 1.00 0.00 C ATOM 772 O VAL A 50 14.813 5.012 17.506 1.00 0.00 O ATOM 773 CB VAL A 50 13.676 4.443 20.271 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.539 3.572 21.200 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.377 4.772 20.984 1.00 0.00 C ATOM 0 H VAL A 50 13.310 6.631 18.343 1.00 0.00 H new ATOM 0 HA VAL A 50 15.062 6.041 20.625 1.00 0.00 H new ATOM 0 HB VAL A 50 13.396 3.914 19.360 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.956 2.716 21.541 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.417 3.220 20.658 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.856 4.161 22.060 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.884 3.848 21.287 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.589 5.377 21.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.723 5.328 20.312 1.00 0.00 H new ATOM 785 N ILE A 51 16.604 4.875 18.856 1.00 0.00 N ATOM 786 CA ILE A 51 17.483 4.286 17.843 1.00 0.00 C ATOM 787 C ILE A 51 17.083 2.805 17.713 1.00 0.00 C ATOM 788 O ILE A 51 16.952 2.118 18.729 1.00 0.00 O ATOM 789 CB ILE A 51 18.970 4.458 18.227 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.304 5.896 18.698 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.825 4.095 17.003 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.751 6.084 19.166 1.00 0.00 C ATOM 0 H ILE A 51 17.059 5.040 19.754 1.00 0.00 H new ATOM 0 HA ILE A 51 17.368 4.789 16.883 1.00 0.00 H new ATOM 0 HB ILE A 51 19.186 3.799 19.068 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.105 6.589 17.881 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.633 6.164 19.514 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.881 4.209 17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.629 3.062 16.716 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.573 4.756 16.174 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.901 7.117 19.478 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.951 5.418 20.006 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.432 5.850 18.347 1.00 0.00 H new ATOM 804 N ALA A 52 16.846 2.310 16.498 1.00 0.00 N ATOM 805 CA ALA A 52 16.448 0.924 16.249 1.00 0.00 C ATOM 806 C ALA A 52 17.655 -0.039 16.204 1.00 0.00 C ATOM 807 O ALA A 52 18.770 0.361 15.857 1.00 0.00 O ATOM 808 CB ALA A 52 15.638 0.878 14.950 1.00 0.00 C ATOM 0 H ALA A 52 16.926 2.868 15.648 1.00 0.00 H new ATOM 0 HA ALA A 52 15.832 0.579 17.079 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.332 -0.149 14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.753 1.507 15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.251 1.243 14.126 1.00 0.00 H new ATOM 814 N CYS A 53 17.426 -1.308 16.557 1.00 0.00 N ATOM 815 CA CYS A 53 18.435 -2.372 16.577 1.00 0.00 C ATOM 816 C CYS A 53 18.761 -2.826 15.138 1.00 0.00 C ATOM 817 O CYS A 53 17.925 -3.439 14.461 1.00 0.00 O ATOM 818 CB CYS A 53 17.887 -3.504 17.471 1.00 0.00 C ATOM 819 SG CYS A 53 19.093 -4.836 17.810 1.00 0.00 S ATOM 0 H CYS A 53 16.503 -1.633 16.846 1.00 0.00 H new ATOM 0 HA CYS A 53 19.382 -2.028 16.994 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.557 -3.077 18.418 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.008 -3.937 16.993 1.00 0.00 H new ATOM 0 HG CYS A 53 19.096 -5.106 19.082 1.00 0.00 H new ATOM 824 N PHE A 54 19.965 -2.510 14.645 1.00 0.00 N ATOM 825 CA PHE A 54 20.431 -2.870 13.295 1.00 0.00 C ATOM 826 C PHE A 54 20.378 -4.388 13.083 1.00 0.00 C ATOM 827 O PHE A 54 19.888 -4.868 12.062 1.00 0.00 O ATOM 828 CB PHE A 54 21.868 -2.365 13.088 1.00 0.00 C ATOM 829 CG PHE A 54 22.377 -2.275 11.660 1.00 0.00 C ATOM 830 CD1 PHE A 54 22.797 -1.026 11.173 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.542 -3.419 10.854 1.00 0.00 C ATOM 832 CE1 PHE A 54 23.295 -0.904 9.865 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.067 -3.303 9.554 1.00 0.00 C ATOM 834 CZ PHE A 54 23.426 -2.041 9.050 1.00 0.00 C ATOM 0 H PHE A 54 20.657 -1.987 15.181 1.00 0.00 H new ATOM 0 HA PHE A 54 19.771 -2.399 12.567 1.00 0.00 H new ATOM 0 HB2 PHE A 54 21.945 -1.374 13.536 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.539 -3.020 13.644 1.00 0.00 H new ATOM 0 HD1 PHE A 54 22.737 -0.154 11.808 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.264 -4.390 11.236 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.578 0.066 9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.194 -4.184 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 54 23.801 -1.946 8.042 1.00 0.00 H new ATOM 844 N ASP A 55 20.859 -5.161 14.058 1.00 0.00 N ATOM 845 CA ASP A 55 20.854 -6.622 13.992 1.00 0.00 C ATOM 846 C ASP A 55 19.420 -7.190 13.877 1.00 0.00 C ATOM 847 O ASP A 55 19.185 -8.113 13.090 1.00 0.00 O ATOM 848 CB ASP A 55 21.636 -7.181 15.188 1.00 0.00 C ATOM 849 CG ASP A 55 23.136 -6.866 15.122 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.682 -6.371 16.136 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.756 -7.170 14.075 1.00 0.00 O ATOM 0 H ASP A 55 21.264 -4.790 14.918 1.00 0.00 H new ATOM 0 HA ASP A 55 21.357 -6.947 13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.224 -6.769 16.109 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.499 -8.261 15.232 1.00 0.00 H new ATOM 856 N SER A 56 18.439 -6.603 14.575 1.00 0.00 N ATOM 857 CA SER A 56 17.020 -6.975 14.454 1.00 0.00 C ATOM 858 C SER A 56 16.434 -6.544 13.100 1.00 0.00 C ATOM 859 O SER A 56 15.710 -7.314 12.465 1.00 0.00 O ATOM 860 CB SER A 56 16.211 -6.359 15.596 1.00 0.00 C ATOM 861 OG SER A 56 14.871 -6.824 15.558 1.00 0.00 O ATOM 0 H SER A 56 18.607 -5.852 15.244 1.00 0.00 H new ATOM 0 HA SER A 56 16.958 -8.062 14.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.665 -6.617 16.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.228 -5.272 15.518 1.00 0.00 H new ATOM 0 HG SER A 56 14.553 -6.980 16.472 1.00 0.00 H new ATOM 867 N LEU A 57 16.793 -5.352 12.599 1.00 0.00 N ATOM 868 CA LEU A 57 16.392 -4.847 11.275 1.00 0.00 C ATOM 869 C LEU A 57 16.839 -5.786 10.136 1.00 0.00 C ATOM 870 O LEU A 57 16.153 -5.880 9.115 1.00 0.00 O ATOM 871 CB LEU A 57 16.957 -3.427 11.068 1.00 0.00 C ATOM 872 CG LEU A 57 16.165 -2.335 11.803 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.036 -1.097 12.002 1.00 0.00 C ATOM 874 CD2 LEU A 57 14.938 -1.932 10.983 1.00 0.00 C ATOM 0 H LEU A 57 17.383 -4.698 13.113 1.00 0.00 H new ATOM 0 HA LEU A 57 15.303 -4.811 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.992 -3.404 11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.967 -3.201 10.002 1.00 0.00 H new ATOM 0 HG LEU A 57 15.855 -2.732 12.769 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.464 -0.330 12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.913 -1.360 12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.353 -0.716 11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.384 -1.157 11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.258 -1.550 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.297 -2.801 10.837 1.00 0.00 H new ATOM 886 N LYS A 58 17.952 -6.511 10.325 1.00 0.00 N ATOM 887 CA LYS A 58 18.489 -7.516 9.387 1.00 0.00 C ATOM 888 C LYS A 58 18.020 -8.953 9.699 1.00 0.00 C ATOM 889 O LYS A 58 18.431 -9.898 9.024 1.00 0.00 O ATOM 890 CB LYS A 58 20.022 -7.384 9.296 1.00 0.00 C ATOM 891 CG LYS A 58 20.524 -5.992 8.858 1.00 0.00 C ATOM 892 CD LYS A 58 19.910 -5.461 7.549 1.00 0.00 C ATOM 893 CE LYS A 58 20.490 -4.095 7.156 1.00 0.00 C ATOM 894 NZ LYS A 58 20.113 -3.033 8.116 1.00 0.00 N ATOM 0 H LYS A 58 18.525 -6.412 11.163 1.00 0.00 H new ATOM 0 HA LYS A 58 18.075 -7.308 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.452 -7.621 10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.396 -8.128 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.314 -5.279 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.607 -6.032 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.091 -6.176 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.829 -5.377 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.576 -4.165 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.138 -3.825 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.875 -2.164 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.289 -3.342 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.910 -2.845 8.757 1.00 0.00 H new ATOM 908 N GLY A 59 17.120 -9.121 10.676 1.00 0.00 N ATOM 909 CA GLY A 59 16.453 -10.381 11.033 1.00 0.00 C ATOM 910 C GLY A 59 17.113 -11.290 12.078 1.00 0.00 C ATOM 911 O GLY A 59 16.594 -12.388 12.299 1.00 0.00 O ATOM 0 H GLY A 59 16.822 -8.345 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.453 -10.136 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.331 -10.962 10.119 1.00 0.00 H new ATOM 915 N ARG A 60 18.210 -10.884 12.736 1.00 0.00 N ATOM 916 CA ARG A 60 18.882 -11.698 13.772 1.00 0.00 C ATOM 917 C ARG A 60 19.625 -10.832 14.793 1.00 0.00 C ATOM 918 O ARG A 60 20.814 -10.548 14.634 1.00 0.00 O ATOM 919 CB ARG A 60 19.784 -12.768 13.118 1.00 0.00 C ATOM 920 CG ARG A 60 20.090 -13.952 14.053 1.00 0.00 C ATOM 921 CD ARG A 60 21.236 -13.717 15.045 1.00 0.00 C ATOM 922 NE ARG A 60 21.548 -14.947 15.795 1.00 0.00 N ATOM 923 CZ ARG A 60 22.466 -15.075 16.741 1.00 0.00 C ATOM 924 NH1 ARG A 60 22.643 -16.229 17.328 1.00 0.00 N ATOM 925 NH2 ARG A 60 23.231 -14.090 17.130 1.00 0.00 N ATOM 0 H ARG A 60 18.659 -9.984 12.568 1.00 0.00 H new ATOM 0 HA ARG A 60 18.116 -12.225 14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.300 -13.141 12.216 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.721 -12.305 12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 60 19.188 -14.194 14.615 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.330 -14.824 13.444 1.00 0.00 H new ATOM 0 HD2 ARG A 60 22.123 -13.380 14.508 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.963 -12.923 15.740 1.00 0.00 H new ATOM 0 HE ARG A 60 21.005 -15.779 15.563 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.074 -17.031 17.058 1.00 0.00 H new ATOM 0 HH12 ARG A 60 23.350 -16.327 18.057 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.136 -13.170 16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 60 23.923 -14.241 17.864 1.00 0.00 H new ATOM 939 N CYS A 61 18.907 -10.435 15.844 1.00 0.00 N ATOM 940 CA CYS A 61 19.420 -9.627 16.959 1.00 0.00 C ATOM 941 C CYS A 61 20.693 -10.262 17.570 1.00 0.00 C ATOM 942 O CYS A 61 20.702 -11.450 17.914 1.00 0.00 O ATOM 943 CB CYS A 61 18.300 -9.444 17.993 1.00 0.00 C ATOM 944 SG CYS A 61 18.816 -8.267 19.286 1.00 0.00 S ATOM 0 H CYS A 61 17.921 -10.673 15.949 1.00 0.00 H new ATOM 0 HA CYS A 61 19.720 -8.644 16.597 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.398 -9.081 17.501 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.052 -10.405 18.444 1.00 0.00 H new ATOM 0 HG CYS A 61 18.894 -7.072 18.779 1.00 0.00 H new ATOM 949 N SER A 62 21.776 -9.476 17.658 1.00 0.00 N ATOM 950 CA SER A 62 23.109 -9.923 18.107 1.00 0.00 C ATOM 951 C SER A 62 23.912 -8.850 18.873 1.00 0.00 C ATOM 952 O SER A 62 25.142 -8.939 18.950 1.00 0.00 O ATOM 953 CB SER A 62 23.938 -10.367 16.882 1.00 0.00 C ATOM 954 OG SER A 62 23.275 -11.325 16.070 1.00 0.00 O ATOM 0 H SER A 62 21.752 -8.486 17.413 1.00 0.00 H new ATOM 0 HA SER A 62 22.931 -10.744 18.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.177 -9.492 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.884 -10.785 17.225 1.00 0.00 H new ATOM 0 HG SER A 62 22.490 -10.913 15.653 1.00 0.00 H new ATOM 1013 N CYS A 66 21.746 -5.044 24.175 1.00 0.00 N ATOM 1014 CA CYS A 66 20.591 -4.603 23.398 1.00 0.00 C ATOM 1015 C CYS A 66 19.678 -3.691 24.244 1.00 0.00 C ATOM 1016 O CYS A 66 19.054 -4.102 25.231 1.00 0.00 O ATOM 1017 CB CYS A 66 19.882 -5.836 22.809 1.00 0.00 C ATOM 1018 SG CYS A 66 18.728 -5.329 21.490 1.00 0.00 S ATOM 0 HA CYS A 66 20.906 -3.986 22.557 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.619 -6.532 22.409 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.340 -6.362 23.594 1.00 0.00 H new ATOM 0 HG CYS A 66 18.624 -6.284 20.614 1.00 0.00 H new ATOM 1023 N LYS A 67 19.656 -2.417 23.833 1.00 0.00 N ATOM 1024 CA LYS A 67 18.920 -1.279 24.422 1.00 0.00 C ATOM 1025 C LYS A 67 18.156 -0.462 23.366 1.00 0.00 C ATOM 1026 O LYS A 67 17.517 0.540 23.681 1.00 0.00 O ATOM 1027 CB LYS A 67 19.914 -0.390 25.198 1.00 0.00 C ATOM 1028 CG LYS A 67 20.969 0.269 24.285 1.00 0.00 C ATOM 1029 CD LYS A 67 21.895 1.202 25.070 1.00 0.00 C ATOM 1030 CE LYS A 67 22.861 1.893 24.104 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.655 2.919 24.802 1.00 0.00 N ATOM 0 H LYS A 67 20.193 -2.127 23.016 1.00 0.00 H new ATOM 0 HA LYS A 67 18.165 -1.673 25.102 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.362 0.387 25.727 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.419 -0.992 25.953 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.561 -0.505 23.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.468 0.832 23.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.308 1.946 25.608 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.453 0.635 25.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.526 1.154 23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.301 2.352 23.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.303 3.375 24.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.018 3.634 25.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.205 2.473 25.564 1.00 0.00 H new ATOM 1045 N TYR A 68 18.243 -0.879 22.108 1.00 0.00 N ATOM 1046 CA TYR A 68 17.631 -0.241 20.949 1.00 0.00 C ATOM 1047 C TYR A 68 16.213 -0.795 20.688 1.00 0.00 C ATOM 1048 O TYR A 68 15.797 -1.799 21.274 1.00 0.00 O ATOM 1049 CB TYR A 68 18.621 -0.427 19.780 1.00 0.00 C ATOM 1050 CG TYR A 68 19.990 0.223 19.992 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.072 1.537 20.500 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.181 -0.477 19.686 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.323 2.140 20.732 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.436 0.123 19.926 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.509 1.429 20.454 1.00 0.00 C ATOM 1056 OH TYR A 68 23.719 2.002 20.693 1.00 0.00 O ATOM 0 H TYR A 68 18.770 -1.715 21.856 1.00 0.00 H new ATOM 0 HA TYR A 68 17.464 0.825 21.102 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.763 -1.494 19.608 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.175 -0.015 18.875 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.166 2.085 20.713 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.130 -1.472 19.268 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.374 3.146 21.122 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.343 -0.420 19.705 1.00 0.00 H new ATOM 0 HH TYR A 68 24.432 1.376 20.447 1.00 0.00 H new ATOM 1066 N LEU A 69 15.439 -0.134 19.822 1.00 0.00 N ATOM 1067 CA LEU A 69 14.047 -0.488 19.523 1.00 0.00 C ATOM 1068 C LEU A 69 13.947 -1.579 18.447 1.00 0.00 C ATOM 1069 O LEU A 69 14.598 -1.497 17.406 1.00 0.00 O ATOM 1070 CB LEU A 69 13.345 0.788 19.009 1.00 0.00 C ATOM 1071 CG LEU A 69 11.918 0.604 18.452 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.906 0.308 19.558 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.493 1.866 17.714 1.00 0.00 C ATOM 0 H LEU A 69 15.768 0.678 19.299 1.00 0.00 H new ATOM 0 HA LEU A 69 13.579 -0.877 20.427 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.304 1.509 19.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.964 1.228 18.227 1.00 0.00 H new ATOM 0 HG LEU A 69 11.937 -0.249 17.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.915 0.186 19.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.190 -0.608 20.075 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.890 1.135 20.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.485 1.735 17.321 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.508 2.712 18.401 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.182 2.056 16.891 1.00 0.00 H new ATOM 1085 N HIS A 70 13.083 -2.573 18.683 1.00 0.00 N ATOM 1086 CA HIS A 70 12.733 -3.589 17.687 1.00 0.00 C ATOM 1087 C HIS A 70 11.352 -3.194 17.111 1.00 0.00 C ATOM 1088 O HIS A 70 10.337 -3.390 17.790 1.00 0.00 O ATOM 1089 CB HIS A 70 12.636 -4.973 18.361 1.00 0.00 C ATOM 1090 CG HIS A 70 13.942 -5.635 18.731 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.117 -6.990 18.919 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.167 -5.046 18.910 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.416 -7.212 19.185 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.098 -6.054 19.188 1.00 0.00 N ATOM 0 H HIS A 70 12.605 -2.695 19.576 1.00 0.00 H new ATOM 0 HA HIS A 70 13.488 -3.643 16.903 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.037 -4.871 19.266 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.092 -5.641 17.693 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.377 -3.989 18.847 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.850 -8.183 19.370 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.096 -5.933 19.359 1.00 0.00 H new ATOM 1102 N PRO A 71 11.271 -2.649 15.882 1.00 0.00 N ATOM 1103 CA PRO A 71 10.006 -2.233 15.277 1.00 0.00 C ATOM 1104 C PRO A 71 9.336 -3.371 14.471 1.00 0.00 C ATOM 1105 O PRO A 71 10.011 -4.328 14.079 1.00 0.00 O ATOM 1106 CB PRO A 71 10.418 -1.076 14.366 1.00 0.00 C ATOM 1107 CG PRO A 71 11.782 -1.514 13.838 1.00 0.00 C ATOM 1108 CD PRO A 71 12.383 -2.303 15.002 1.00 0.00 C ATOM 0 HA PRO A 71 9.262 -1.954 16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.703 -0.926 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.482 -0.136 14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.687 -2.130 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.402 -0.658 13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.888 -3.200 14.644 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.127 -1.708 15.532 1.00 0.00 H new ATOM 1116 N PRO A 72 8.024 -3.281 14.178 1.00 0.00 N ATOM 1117 CA PRO A 72 7.312 -4.269 13.360 1.00 0.00 C ATOM 1118 C PRO A 72 7.710 -4.171 11.871 1.00 0.00 C ATOM 1119 O PRO A 72 8.205 -3.123 11.445 1.00 0.00 O ATOM 1120 CB PRO A 72 5.831 -3.938 13.557 1.00 0.00 C ATOM 1121 CG PRO A 72 5.847 -2.426 13.769 1.00 0.00 C ATOM 1122 CD PRO A 72 7.116 -2.221 14.590 1.00 0.00 C ATOM 0 HA PRO A 72 7.553 -5.290 13.657 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.235 -4.218 12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.410 -4.462 14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.883 -1.884 12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.960 -2.081 14.300 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.550 -1.239 14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.905 -2.278 15.658 1.00 0.00 H new ATOM 1130 N PRO A 73 7.481 -5.217 11.050 1.00 0.00 N ATOM 1131 CA PRO A 73 7.828 -5.243 9.622 1.00 0.00 C ATOM 1132 C PRO A 73 7.484 -3.979 8.816 1.00 0.00 C ATOM 1133 O PRO A 73 8.323 -3.493 8.055 1.00 0.00 O ATOM 1134 CB PRO A 73 7.133 -6.486 9.057 1.00 0.00 C ATOM 1135 CG PRO A 73 7.110 -7.435 10.253 1.00 0.00 C ATOM 1136 CD PRO A 73 6.894 -6.495 11.438 1.00 0.00 C ATOM 0 HA PRO A 73 8.913 -5.276 9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.128 -6.260 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.682 -6.909 8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.309 -8.169 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.043 -7.991 10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.833 -6.385 11.660 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.370 -6.886 12.338 1.00 0.00 H new ATOM 1144 N HIS A 74 6.287 -3.400 8.998 1.00 0.00 N ATOM 1145 CA HIS A 74 5.883 -2.168 8.292 1.00 0.00 C ATOM 1146 C HIS A 74 6.768 -0.955 8.620 1.00 0.00 C ATOM 1147 O HIS A 74 6.981 -0.100 7.759 1.00 0.00 O ATOM 1148 CB HIS A 74 4.385 -1.882 8.507 1.00 0.00 C ATOM 1149 CG HIS A 74 3.979 -1.554 9.926 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.500 -2.451 10.864 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.921 -0.305 10.481 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.157 -1.757 11.966 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.421 -0.453 11.760 1.00 0.00 N ATOM 0 H HIS A 74 5.576 -3.766 9.632 1.00 0.00 H new ATOM 0 HA HIS A 74 6.041 -2.348 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.096 -1.050 7.864 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.817 -2.752 8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.211 0.622 10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.738 -2.178 12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.276 0.298 12.434 1.00 0.00 H new ATOM 1162 N LEU A 75 7.325 -0.884 9.834 1.00 0.00 N ATOM 1163 CA LEU A 75 8.290 0.143 10.245 1.00 0.00 C ATOM 1164 C LEU A 75 9.730 -0.258 9.866 1.00 0.00 C ATOM 1165 O LEU A 75 10.518 0.620 9.513 1.00 0.00 O ATOM 1166 CB LEU A 75 8.118 0.455 11.743 1.00 0.00 C ATOM 1167 CG LEU A 75 6.996 1.473 12.032 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.609 1.461 13.510 1.00 0.00 C ATOM 1169 CD2 LEU A 75 7.425 2.903 11.690 1.00 0.00 C ATOM 0 H LEU A 75 7.113 -1.553 10.574 1.00 0.00 H new ATOM 0 HA LEU A 75 8.089 1.065 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.905 -0.471 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.058 0.841 12.137 1.00 0.00 H new ATOM 0 HG LEU A 75 6.152 1.176 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.816 2.188 13.684 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.257 0.467 13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.478 1.719 14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.607 3.590 11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.296 3.174 12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.678 2.964 10.631 1.00 0.00 H new ATOM 1181 N LYS A 76 10.077 -1.559 9.851 1.00 0.00 N ATOM 1182 CA LYS A 76 11.399 -2.040 9.384 1.00 0.00 C ATOM 1183 C LYS A 76 11.641 -1.607 7.936 1.00 0.00 C ATOM 1184 O LYS A 76 12.700 -1.071 7.623 1.00 0.00 O ATOM 1185 CB LYS A 76 11.549 -3.572 9.492 1.00 0.00 C ATOM 1186 CG LYS A 76 11.624 -4.091 10.934 1.00 0.00 C ATOM 1187 CD LYS A 76 12.012 -5.574 10.991 1.00 0.00 C ATOM 1188 CE LYS A 76 12.135 -6.020 12.452 1.00 0.00 C ATOM 1189 NZ LYS A 76 12.672 -7.392 12.560 1.00 0.00 N ATOM 0 H LYS A 76 9.455 -2.306 10.160 1.00 0.00 H new ATOM 0 HA LYS A 76 12.144 -1.589 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.706 -4.046 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.450 -3.877 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.352 -3.504 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.659 -3.950 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.261 -6.176 10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.957 -5.733 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.786 -5.331 12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.157 -5.973 12.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.375 -7.811 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.309 -7.970 11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.711 -7.363 12.516 1.00 0.00 H new ATOM 1203 N THR A 77 10.650 -1.787 7.059 1.00 0.00 N ATOM 1204 CA THR A 77 10.736 -1.361 5.651 1.00 0.00 C ATOM 1205 C THR A 77 10.945 0.153 5.528 1.00 0.00 C ATOM 1206 O THR A 77 11.788 0.590 4.742 1.00 0.00 O ATOM 1207 CB THR A 77 9.491 -1.800 4.864 1.00 0.00 C ATOM 1208 OG1 THR A 77 9.377 -3.206 4.918 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.585 -1.417 3.386 1.00 0.00 C ATOM 0 H THR A 77 9.764 -2.231 7.300 1.00 0.00 H new ATOM 0 HA THR A 77 11.608 -1.852 5.219 1.00 0.00 H new ATOM 0 HB THR A 77 8.633 -1.301 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.037 -3.473 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.685 -1.746 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.681 -0.335 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.456 -1.897 2.940 1.00 0.00 H new ATOM 1217 N GLN A 78 10.246 0.965 6.334 1.00 0.00 N ATOM 1218 CA GLN A 78 10.428 2.425 6.338 1.00 0.00 C ATOM 1219 C GLN A 78 11.856 2.798 6.749 1.00 0.00 C ATOM 1220 O GLN A 78 12.454 3.691 6.147 1.00 0.00 O ATOM 1221 CB GLN A 78 9.409 3.099 7.273 1.00 0.00 C ATOM 1222 CG GLN A 78 7.998 3.060 6.678 1.00 0.00 C ATOM 1223 CD GLN A 78 6.942 3.553 7.663 1.00 0.00 C ATOM 1224 OE1 GLN A 78 6.820 4.734 7.958 1.00 0.00 O ATOM 1225 NE2 GLN A 78 6.139 2.663 8.207 1.00 0.00 N ATOM 0 H GLN A 78 9.545 0.633 6.996 1.00 0.00 H new ATOM 0 HA GLN A 78 10.258 2.786 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.412 2.597 8.240 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.703 4.134 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.968 3.675 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.762 2.040 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.234 1.676 7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.422 2.960 8.869 1.00 0.00 H new ATOM 1234 N LEU A 79 12.419 2.098 7.738 1.00 0.00 N ATOM 1235 CA LEU A 79 13.788 2.297 8.207 1.00 0.00 C ATOM 1236 C LEU A 79 14.804 1.989 7.092 1.00 0.00 C ATOM 1237 O LEU A 79 15.685 2.803 6.827 1.00 0.00 O ATOM 1238 CB LEU A 79 13.994 1.421 9.459 1.00 0.00 C ATOM 1239 CG LEU A 79 15.149 1.796 10.403 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.542 1.656 9.792 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.981 3.211 10.949 1.00 0.00 C ATOM 0 H LEU A 79 11.924 1.363 8.243 1.00 0.00 H new ATOM 0 HA LEU A 79 13.954 3.340 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.069 1.435 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.148 0.394 9.130 1.00 0.00 H new ATOM 0 HG LEU A 79 15.086 1.067 11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.293 1.941 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.705 0.621 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.624 2.305 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.813 3.446 11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.965 3.921 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.045 3.278 11.503 1.00 0.00 H new ATOM 1253 N GLU A 80 14.665 0.858 6.388 1.00 0.00 N ATOM 1254 CA GLU A 80 15.567 0.501 5.281 1.00 0.00 C ATOM 1255 C GLU A 80 15.487 1.503 4.113 1.00 0.00 C ATOM 1256 O GLU A 80 16.516 1.846 3.526 1.00 0.00 O ATOM 1257 CB GLU A 80 15.283 -0.928 4.785 1.00 0.00 C ATOM 1258 CG GLU A 80 15.566 -2.028 5.822 1.00 0.00 C ATOM 1259 CD GLU A 80 17.038 -2.082 6.249 1.00 0.00 C ATOM 1260 OE1 GLU A 80 17.871 -2.540 5.432 1.00 0.00 O ATOM 1261 OE2 GLU A 80 17.336 -1.672 7.396 1.00 0.00 O ATOM 0 H GLU A 80 13.933 0.170 6.566 1.00 0.00 H new ATOM 0 HA GLU A 80 16.583 0.544 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.239 -0.993 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.887 -1.118 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.944 -1.860 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.278 -2.994 5.407 1.00 0.00 H new ATOM 1268 N ILE A 81 14.290 2.008 3.787 1.00 0.00 N ATOM 1269 CA ILE A 81 14.094 3.030 2.743 1.00 0.00 C ATOM 1270 C ILE A 81 14.757 4.353 3.167 1.00 0.00 C ATOM 1271 O ILE A 81 15.521 4.929 2.391 1.00 0.00 O ATOM 1272 CB ILE A 81 12.585 3.200 2.428 1.00 0.00 C ATOM 1273 CG1 ILE A 81 12.063 1.936 1.702 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.317 4.449 1.563 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.536 1.874 1.567 1.00 0.00 C ATOM 0 H ILE A 81 13.424 1.719 4.241 1.00 0.00 H new ATOM 0 HA ILE A 81 14.577 2.705 1.822 1.00 0.00 H new ATOM 0 HB ILE A 81 12.057 3.333 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.507 1.893 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.405 1.053 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.248 4.532 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.658 5.338 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.855 4.360 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.254 0.958 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.082 1.883 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.186 2.736 0.999 1.00 0.00 H new ATOM 1287 N ASN A 82 14.518 4.817 4.401 1.00 0.00 N ATOM 1288 CA ASN A 82 15.139 6.035 4.937 1.00 0.00 C ATOM 1289 C ASN A 82 16.669 5.908 4.978 1.00 0.00 C ATOM 1290 O ASN A 82 17.372 6.843 4.599 1.00 0.00 O ATOM 1291 CB ASN A 82 14.569 6.359 6.330 1.00 0.00 C ATOM 1292 CG ASN A 82 13.282 7.161 6.244 1.00 0.00 C ATOM 1293 OD1 ASN A 82 13.285 8.383 6.213 1.00 0.00 O ATOM 1294 ND2 ASN A 82 12.144 6.510 6.185 1.00 0.00 N ATOM 0 H ASN A 82 13.887 4.357 5.057 1.00 0.00 H new ATOM 0 HA ASN A 82 14.900 6.862 4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.383 5.431 6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.308 6.919 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.266 7.024 6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.138 5.490 6.211 1.00 0.00 H new ATOM 1301 N GLY A 83 17.187 4.746 5.389 1.00 0.00 N ATOM 1302 CA GLY A 83 18.617 4.450 5.422 1.00 0.00 C ATOM 1303 C GLY A 83 19.260 4.603 4.049 1.00 0.00 C ATOM 1304 O GLY A 83 20.180 5.407 3.885 1.00 0.00 O ATOM 0 H GLY A 83 16.609 3.971 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.110 5.116 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.769 3.433 5.783 1.00 0.00 H new