USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 398 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 52 ASN : amide:sc= -0.445 K(o=-0.44,f=-4.8!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -73:sc= -0.32 USER MOD Set 2.2: A 32 ASN :FLIP amide:sc= -0.278 F(o=-2.7!,f=-0.6) USER MOD Set 2.3: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -52:sc= -1.45 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 63:sc= 1.24 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -139:sc= -2.32 (180deg=-5.25!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 50 ASN : amide:sc= 0.108 X(o=0.11,f=-0.0042) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0241) USER MOD Single : A 57 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 59 TYR OH : rot 1:sc= 0.278 USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.492 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.216 -2.974 6.923 1.00 0.00 N ATOM 165 CA PRO A 14 -5.190 -1.528 6.685 1.00 0.00 C ATOM 166 C PRO A 14 -6.586 -0.912 6.700 1.00 0.00 C ATOM 167 O PRO A 14 -7.588 -1.622 6.616 1.00 0.00 O ATOM 168 CB PRO A 14 -4.569 -1.409 5.291 1.00 0.00 C ATOM 169 CG PRO A 14 -4.875 -2.708 4.628 1.00 0.00 C ATOM 170 CD PRO A 14 -4.861 -3.743 5.719 1.00 0.00 C ATOM 0 HA PRO A 14 -4.637 -0.998 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.995 -0.572 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.494 -1.238 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.846 -2.675 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.135 -2.939 3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.578 -4.541 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.882 -4.212 5.816 1.00 0.00 H new ATOM 178 N SER A 15 -6.642 0.411 6.808 1.00 0.00 N ATOM 179 CA SER A 15 -7.915 1.122 6.838 1.00 0.00 C ATOM 180 C SER A 15 -8.092 1.973 5.585 1.00 0.00 C ATOM 181 O SER A 15 -7.125 2.503 5.039 1.00 0.00 O ATOM 182 CB SER A 15 -8.002 2.004 8.085 1.00 0.00 C ATOM 183 OG SER A 15 -7.143 3.126 7.976 1.00 0.00 O ATOM 0 H SER A 15 -5.821 1.013 6.876 1.00 0.00 H new ATOM 0 HA SER A 15 -8.715 0.382 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.029 2.341 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.734 1.421 8.966 1.00 0.00 H new ATOM 0 HG SER A 15 -7.218 3.675 8.784 1.00 0.00 H new ATOM 189 N GLY A 16 -9.336 2.101 5.133 1.00 0.00 N ATOM 190 CA GLY A 16 -9.618 2.889 3.948 1.00 0.00 C ATOM 191 C GLY A 16 -8.733 4.115 3.842 1.00 0.00 C ATOM 192 O GLY A 16 -8.410 4.563 2.742 1.00 0.00 O ATOM 0 H GLY A 16 -10.154 1.673 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.482 2.269 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.663 3.199 3.962 1.00 0.00 H new ATOM 196 N PHE A 17 -8.341 4.660 4.989 1.00 0.00 N ATOM 197 CA PHE A 17 -7.490 5.844 5.022 1.00 0.00 C ATOM 198 C PHE A 17 -6.059 5.496 4.622 1.00 0.00 C ATOM 199 O PHE A 17 -5.425 6.217 3.852 1.00 0.00 O ATOM 200 CB PHE A 17 -7.504 6.470 6.418 1.00 0.00 C ATOM 201 CG PHE A 17 -6.302 7.323 6.704 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.776 8.152 5.727 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.698 7.296 7.951 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.670 8.940 5.987 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.592 8.081 8.217 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.077 8.903 7.234 1.00 0.00 C ATOM 0 H PHE A 17 -8.599 4.301 5.908 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.884 6.564 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.404 7.076 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.562 5.676 7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.235 8.183 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.096 6.655 8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.271 9.583 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.131 8.052 9.193 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.212 9.516 7.440 1.00 0.00 H new ATOM 216 N PHE A 18 -5.557 4.386 5.152 1.00 0.00 N ATOM 217 CA PHE A 18 -4.200 3.942 4.853 1.00 0.00 C ATOM 218 C PHE A 18 -4.078 3.511 3.394 1.00 0.00 C ATOM 219 O PHE A 18 -3.278 4.062 2.637 1.00 0.00 O ATOM 220 CB PHE A 18 -3.805 2.785 5.773 1.00 0.00 C ATOM 221 CG PHE A 18 -2.412 2.277 5.533 1.00 0.00 C ATOM 222 CD1 PHE A 18 -1.325 2.875 6.151 1.00 0.00 C ATOM 223 CD2 PHE A 18 -2.189 1.201 4.689 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.043 2.410 5.930 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.909 0.731 4.465 1.00 0.00 C ATOM 226 CZ PHE A 18 0.166 1.335 5.087 1.00 0.00 C ATOM 0 H PHE A 18 -6.069 3.777 5.791 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.524 4.780 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.891 3.110 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.511 1.966 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.482 3.714 6.813 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.026 0.724 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.796 2.886 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.749 -0.108 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.167 0.968 4.915 1.00 0.00 H new ATOM 236 N LEU A 19 -4.876 2.522 3.008 1.00 0.00 N ATOM 237 CA LEU A 19 -4.858 2.015 1.640 1.00 0.00 C ATOM 238 C LEU A 19 -4.660 3.151 0.641 1.00 0.00 C ATOM 239 O LEU A 19 -3.942 3.003 -0.348 1.00 0.00 O ATOM 240 CB LEU A 19 -6.160 1.272 1.333 1.00 0.00 C ATOM 241 CG LEU A 19 -6.384 -0.032 2.100 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.863 -0.385 2.130 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.577 -1.162 1.478 1.00 0.00 C ATOM 0 H LEU A 19 -5.543 2.055 3.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.021 1.323 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.995 1.941 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.187 1.052 0.266 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.043 0.109 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.004 -1.316 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.418 0.414 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.229 -0.507 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.749 -2.082 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.887 -1.303 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.517 -0.911 1.509 1.00 0.00 H new ATOM 255 N PHE A 20 -5.301 4.284 0.907 1.00 0.00 N ATOM 256 CA PHE A 20 -5.194 5.446 0.032 1.00 0.00 C ATOM 257 C PHE A 20 -3.853 6.148 0.221 1.00 0.00 C ATOM 258 O PHE A 20 -3.242 6.612 -0.743 1.00 0.00 O ATOM 259 CB PHE A 20 -6.338 6.425 0.307 1.00 0.00 C ATOM 260 CG PHE A 20 -6.012 7.845 -0.056 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.233 8.627 0.782 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.485 8.399 -1.234 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.930 9.934 0.451 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.186 9.706 -1.571 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.408 10.474 -0.727 1.00 0.00 C ATOM 0 H PHE A 20 -5.900 4.423 1.721 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.261 5.100 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.219 6.109 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.598 6.379 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.858 8.210 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.095 7.803 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.321 10.532 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.560 10.126 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.174 11.496 -0.988 1.00 0.00 H new ATOM 275 N CYS A 21 -3.401 6.222 1.468 1.00 0.00 N ATOM 276 CA CYS A 21 -2.132 6.868 1.784 1.00 0.00 C ATOM 277 C CYS A 21 -0.966 6.118 1.149 1.00 0.00 C ATOM 278 O CYS A 21 -0.008 6.726 0.674 1.00 0.00 O ATOM 279 CB CYS A 21 -1.940 6.946 3.300 1.00 0.00 C ATOM 280 SG CYS A 21 -1.169 5.479 4.022 1.00 0.00 S ATOM 0 H CYS A 21 -3.894 5.843 2.276 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.155 7.878 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.328 7.817 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.910 7.102 3.771 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.815 4.417 3.641 1.00 0.00 H new ATOM 286 N SER A 22 -1.054 4.791 1.148 1.00 0.00 N ATOM 287 CA SER A 22 -0.004 3.956 0.576 1.00 0.00 C ATOM 288 C SER A 22 -0.031 4.016 -0.948 1.00 0.00 C ATOM 289 O SER A 22 0.992 3.827 -1.605 1.00 0.00 O ATOM 290 CB SER A 22 -0.162 2.509 1.045 1.00 0.00 C ATOM 291 OG SER A 22 1.094 1.855 1.114 1.00 0.00 O ATOM 0 H SER A 22 -1.841 4.272 1.537 1.00 0.00 H new ATOM 0 HA SER A 22 0.957 4.338 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.639 2.491 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.818 1.971 0.361 1.00 0.00 H new ATOM 0 HG SER A 22 0.966 0.932 1.418 1.00 0.00 H new ATOM 297 N GLU A 23 -1.211 4.278 -1.502 1.00 0.00 N ATOM 298 CA GLU A 23 -1.373 4.361 -2.949 1.00 0.00 C ATOM 299 C GLU A 23 -1.008 5.753 -3.458 1.00 0.00 C ATOM 300 O GLU A 23 -0.648 5.925 -4.623 1.00 0.00 O ATOM 301 CB GLU A 23 -2.812 4.023 -3.344 1.00 0.00 C ATOM 302 CG GLU A 23 -3.170 4.445 -4.759 1.00 0.00 C ATOM 303 CD GLU A 23 -4.428 3.769 -5.269 1.00 0.00 C ATOM 304 OE1 GLU A 23 -5.525 4.110 -4.779 1.00 0.00 O ATOM 305 OE2 GLU A 23 -4.315 2.899 -6.158 1.00 0.00 O ATOM 0 H GLU A 23 -2.068 4.436 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.699 3.637 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.964 2.948 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.495 4.507 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.306 5.526 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.340 4.210 -5.425 1.00 0.00 H new ATOM 312 N PHE A 24 -1.103 6.743 -2.577 1.00 0.00 N ATOM 313 CA PHE A 24 -0.785 8.120 -2.937 1.00 0.00 C ATOM 314 C PHE A 24 0.640 8.475 -2.522 1.00 0.00 C ATOM 315 O PHE A 24 1.185 9.494 -2.945 1.00 0.00 O ATOM 316 CB PHE A 24 -1.774 9.083 -2.278 1.00 0.00 C ATOM 317 CG PHE A 24 -3.005 9.335 -3.102 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.974 8.354 -3.241 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.192 10.552 -3.736 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.106 8.583 -3.999 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.323 10.787 -4.496 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.282 9.801 -4.626 1.00 0.00 C ATOM 0 H PHE A 24 -1.398 6.618 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.864 8.214 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.071 8.680 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.273 10.032 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.843 7.400 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.446 11.326 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.853 7.810 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.456 11.740 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.168 9.982 -5.217 1.00 0.00 H new ATOM 332 N ARG A 25 1.237 7.626 -1.692 1.00 0.00 N ATOM 333 CA ARG A 25 2.598 7.850 -1.219 1.00 0.00 C ATOM 334 C ARG A 25 3.573 7.943 -2.389 1.00 0.00 C ATOM 335 O ARG A 25 4.432 8.822 -2.445 1.00 0.00 O ATOM 336 CB ARG A 25 3.024 6.724 -0.274 1.00 0.00 C ATOM 337 CG ARG A 25 3.987 7.173 0.813 1.00 0.00 C ATOM 338 CD ARG A 25 3.896 6.280 2.040 1.00 0.00 C ATOM 339 NE ARG A 25 4.825 6.694 3.088 1.00 0.00 N ATOM 340 CZ ARG A 25 5.204 5.906 4.088 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.737 4.668 4.174 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.053 6.355 5.003 1.00 0.00 N ATOM 0 H ARG A 25 0.800 6.777 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 25 2.616 8.796 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.136 6.297 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.491 5.930 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.006 7.159 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.766 8.203 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.878 6.301 2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.107 5.249 1.755 1.00 0.00 H new ATOM 0 HE ARG A 25 5.204 7.640 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.085 4.319 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.030 4.065 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.416 7.306 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.343 5.749 5.770 1.00 0.00 H new ATOM 356 N PRO A 26 3.437 7.014 -3.347 1.00 0.00 N ATOM 357 CA PRO A 26 4.297 6.969 -4.534 1.00 0.00 C ATOM 358 C PRO A 26 4.434 8.334 -5.201 1.00 0.00 C ATOM 359 O PRO A 26 5.542 8.786 -5.492 1.00 0.00 O ATOM 360 CB PRO A 26 3.571 5.991 -5.461 1.00 0.00 C ATOM 361 CG PRO A 26 2.788 5.113 -4.547 1.00 0.00 C ATOM 362 CD PRO A 26 2.434 5.936 -3.346 1.00 0.00 C ATOM 0 HA PRO A 26 5.316 6.668 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.920 6.517 -6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.277 5.413 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.889 4.746 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.372 4.239 -4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.421 6.333 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.481 5.347 -2.430 1.00 0.00 H new ATOM 370 N LYS A 27 3.302 8.986 -5.442 1.00 0.00 N ATOM 371 CA LYS A 27 3.295 10.300 -6.074 1.00 0.00 C ATOM 372 C LYS A 27 4.066 11.312 -5.233 1.00 0.00 C ATOM 373 O LYS A 27 5.024 11.926 -5.707 1.00 0.00 O ATOM 374 CB LYS A 27 1.858 10.782 -6.280 1.00 0.00 C ATOM 375 CG LYS A 27 1.015 9.840 -7.122 1.00 0.00 C ATOM 376 CD LYS A 27 -0.468 10.022 -6.847 1.00 0.00 C ATOM 377 CE LYS A 27 -1.319 9.237 -7.835 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.773 9.481 -7.630 1.00 0.00 N ATOM 0 H LYS A 27 2.377 8.626 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 27 3.784 10.212 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.383 10.909 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.877 11.762 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.214 10.018 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.301 8.809 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.694 9.696 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.723 11.080 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.044 9.515 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.111 8.172 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.319 8.929 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.041 9.192 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.976 10.493 -7.757 1.00 0.00 H new ATOM 392 N ILE A 28 3.645 11.481 -3.984 1.00 0.00 N ATOM 393 CA ILE A 28 4.298 12.417 -3.078 1.00 0.00 C ATOM 394 C ILE A 28 5.810 12.224 -3.084 1.00 0.00 C ATOM 395 O ILE A 28 6.571 13.190 -3.139 1.00 0.00 O ATOM 396 CB ILE A 28 3.778 12.260 -1.636 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.252 12.374 -1.606 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.411 13.304 -0.729 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.672 12.350 -0.209 1.00 0.00 C ATOM 0 H ILE A 28 2.854 10.982 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 28 4.061 13.419 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 28 4.057 11.272 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.955 13.300 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.823 11.555 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.034 13.181 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.494 13.180 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.159 14.301 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.587 12.435 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.938 11.413 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.072 13.185 0.366 1.00 0.00 H new ATOM 411 N LYS A 29 6.241 10.968 -3.031 1.00 0.00 N ATOM 412 CA LYS A 29 7.663 10.646 -3.034 1.00 0.00 C ATOM 413 C LYS A 29 8.273 10.889 -4.410 1.00 0.00 C ATOM 414 O LYS A 29 9.489 11.023 -4.546 1.00 0.00 O ATOM 415 CB LYS A 29 7.878 9.188 -2.620 1.00 0.00 C ATOM 416 CG LYS A 29 7.674 8.941 -1.135 1.00 0.00 C ATOM 417 CD LYS A 29 8.429 7.709 -0.665 1.00 0.00 C ATOM 418 CE LYS A 29 9.907 8.004 -0.463 1.00 0.00 C ATOM 419 NZ LYS A 29 10.715 6.757 -0.376 1.00 0.00 N ATOM 0 H LYS A 29 5.625 10.156 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 29 8.159 11.299 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.192 8.554 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.889 8.886 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.010 9.811 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.611 8.818 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.997 7.351 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.313 6.909 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.271 8.616 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.040 8.587 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.717 7.001 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.385 6.185 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.609 6.213 -1.256 1.00 0.00 H new ATOM 433 N SER A 30 7.421 10.946 -5.429 1.00 0.00 N ATOM 434 CA SER A 30 7.877 11.171 -6.796 1.00 0.00 C ATOM 435 C SER A 30 7.753 12.644 -7.174 1.00 0.00 C ATOM 436 O SER A 30 8.316 13.090 -8.174 1.00 0.00 O ATOM 437 CB SER A 30 7.071 10.312 -7.772 1.00 0.00 C ATOM 438 OG SER A 30 7.191 8.935 -7.459 1.00 0.00 O ATOM 0 H SER A 30 6.411 10.839 -5.334 1.00 0.00 H new ATOM 0 HA SER A 30 8.928 10.886 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.022 10.606 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.419 10.488 -8.790 1.00 0.00 H new ATOM 0 HG SER A 30 6.818 8.768 -6.568 1.00 0.00 H new ATOM 444 N THR A 31 7.011 13.395 -6.366 1.00 0.00 N ATOM 445 CA THR A 31 6.811 14.817 -6.615 1.00 0.00 C ATOM 446 C THR A 31 7.765 15.662 -5.778 1.00 0.00 C ATOM 447 O THR A 31 8.335 16.637 -6.264 1.00 0.00 O ATOM 448 CB THR A 31 5.363 15.243 -6.310 1.00 0.00 C ATOM 449 OG1 THR A 31 4.802 14.387 -5.308 1.00 0.00 O ATOM 450 CG2 THR A 31 4.507 15.191 -7.566 1.00 0.00 C ATOM 0 H THR A 31 6.539 13.042 -5.534 1.00 0.00 H new ATOM 0 HA THR A 31 7.015 14.984 -7.673 1.00 0.00 H new ATOM 0 HB THR A 31 5.379 16.269 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.606 13.510 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.489 15.496 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.920 15.865 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.498 14.174 -7.958 1.00 0.00 H new ATOM 458 N ASN A 32 7.933 15.280 -4.516 1.00 0.00 N ATOM 459 CA ASN A 32 8.818 16.003 -3.610 1.00 0.00 C ATOM 460 C ASN A 32 10.187 15.334 -3.538 1.00 0.00 C ATOM 461 O ASN A 32 10.304 14.115 -3.404 1.00 0.00 O ATOM 462 CB ASN A 32 8.201 16.078 -2.212 1.00 0.00 C ATOM 463 CG ASN A 32 6.934 16.912 -2.183 1.00 0.00 C ATOM 464 OD1 ASN A 32 5.979 16.566 -3.038 1.00 0.00 O flip ATOM 465 ND2 ASN A 32 6.817 17.856 -1.401 1.00 0.00 N flip ATOM 0 H ASN A 32 7.468 14.474 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 32 8.947 17.014 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.977 15.070 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.928 16.502 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.578 18.086 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.959 18.408 -1.393 1.00 0.00 H new ATOM 472 N PRO A 33 11.249 16.148 -3.628 1.00 0.00 N ATOM 473 CA PRO A 33 12.630 15.657 -3.574 1.00 0.00 C ATOM 474 C PRO A 33 13.012 15.152 -2.188 1.00 0.00 C ATOM 475 O PRO A 33 13.171 15.935 -1.253 1.00 0.00 O ATOM 476 CB PRO A 33 13.459 16.891 -3.941 1.00 0.00 C ATOM 477 CG PRO A 33 12.604 18.049 -3.558 1.00 0.00 C ATOM 478 CD PRO A 33 11.184 17.610 -3.788 1.00 0.00 C ATOM 0 HA PRO A 33 12.787 14.807 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.408 16.905 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.695 16.908 -5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.763 18.324 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.843 18.926 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.502 18.063 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.832 17.890 -4.781 1.00 0.00 H new ATOM 486 N GLY A 34 13.157 13.836 -2.062 1.00 0.00 N ATOM 487 CA GLY A 34 13.520 13.248 -0.785 1.00 0.00 C ATOM 488 C GLY A 34 12.694 13.797 0.361 1.00 0.00 C ATOM 489 O GLY A 34 13.236 14.361 1.312 1.00 0.00 O ATOM 0 H GLY A 34 13.030 13.167 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.391 12.167 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.576 13.434 -0.590 1.00 0.00 H new ATOM 493 N ILE A 35 11.378 13.633 0.272 1.00 0.00 N ATOM 494 CA ILE A 35 10.476 14.117 1.310 1.00 0.00 C ATOM 495 C ILE A 35 10.591 13.273 2.575 1.00 0.00 C ATOM 496 O ILE A 35 10.567 12.044 2.518 1.00 0.00 O ATOM 497 CB ILE A 35 9.012 14.109 0.832 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.097 14.687 1.913 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.582 12.696 0.466 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.780 15.204 1.377 1.00 0.00 C ATOM 0 H ILE A 35 10.913 13.169 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 35 10.771 15.142 1.532 1.00 0.00 H new ATOM 0 HB ILE A 35 8.932 14.734 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.899 13.918 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.617 15.499 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.545 12.707 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.219 12.318 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.674 12.050 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.183 15.599 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.968 15.996 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.239 14.390 0.894 1.00 0.00 H new ATOM 512 N SER A 36 10.715 13.943 3.717 1.00 0.00 N ATOM 513 CA SER A 36 10.835 13.255 4.997 1.00 0.00 C ATOM 514 C SER A 36 9.514 12.599 5.387 1.00 0.00 C ATOM 515 O SER A 36 8.443 13.180 5.207 1.00 0.00 O ATOM 516 CB SER A 36 11.273 14.235 6.087 1.00 0.00 C ATOM 517 OG SER A 36 12.643 14.570 5.950 1.00 0.00 O ATOM 0 H SER A 36 10.735 14.961 3.782 1.00 0.00 H new ATOM 0 HA SER A 36 11.590 12.476 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.667 15.139 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.100 13.794 7.068 1.00 0.00 H new ATOM 0 HG SER A 36 12.898 15.199 6.657 1.00 0.00 H new ATOM 523 N ILE A 37 9.599 11.387 5.924 1.00 0.00 N ATOM 524 CA ILE A 37 8.411 10.652 6.342 1.00 0.00 C ATOM 525 C ILE A 37 7.422 11.566 7.057 1.00 0.00 C ATOM 526 O ILE A 37 6.213 11.472 6.852 1.00 0.00 O ATOM 527 CB ILE A 37 8.773 9.478 7.271 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.704 8.500 6.553 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.513 8.769 7.743 1.00 0.00 C ATOM 530 CD1 ILE A 37 11.170 8.851 6.687 1.00 0.00 C ATOM 0 H ILE A 37 10.478 10.893 6.080 1.00 0.00 H new ATOM 0 HA ILE A 37 7.949 10.259 5.437 1.00 0.00 H new ATOM 0 HB ILE A 37 9.294 9.871 8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.541 7.498 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.441 8.471 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.785 7.942 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.883 9.472 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.967 8.385 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.771 8.115 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.348 9.840 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.449 8.852 7.741 1.00 0.00 H new ATOM 542 N GLY A 38 7.946 12.454 7.897 1.00 0.00 N ATOM 543 CA GLY A 38 7.096 13.374 8.630 1.00 0.00 C ATOM 544 C GLY A 38 6.289 14.271 7.713 1.00 0.00 C ATOM 545 O GLY A 38 5.131 14.579 7.997 1.00 0.00 O ATOM 0 H GLY A 38 8.944 12.552 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.418 12.808 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.712 13.989 9.286 1.00 0.00 H new ATOM 549 N ASP A 39 6.900 14.693 6.612 1.00 0.00 N ATOM 550 CA ASP A 39 6.230 15.561 5.650 1.00 0.00 C ATOM 551 C ASP A 39 5.093 14.823 4.951 1.00 0.00 C ATOM 552 O ASP A 39 3.960 15.303 4.910 1.00 0.00 O ATOM 553 CB ASP A 39 7.230 16.080 4.616 1.00 0.00 C ATOM 554 CG ASP A 39 7.881 17.382 5.041 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.499 17.410 6.126 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.772 18.372 4.288 1.00 0.00 O ATOM 0 H ASP A 39 7.858 14.448 6.363 1.00 0.00 H new ATOM 0 HA ASP A 39 5.809 16.407 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.002 15.328 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.720 16.226 3.664 1.00 0.00 H new ATOM 561 N VAL A 40 5.403 13.653 4.402 1.00 0.00 N ATOM 562 CA VAL A 40 4.408 12.848 3.704 1.00 0.00 C ATOM 563 C VAL A 40 3.201 12.574 4.594 1.00 0.00 C ATOM 564 O VAL A 40 2.062 12.567 4.127 1.00 0.00 O ATOM 565 CB VAL A 40 5.000 11.506 3.234 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.906 10.600 2.690 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.081 11.738 2.189 1.00 0.00 C ATOM 0 H VAL A 40 6.336 13.241 4.427 1.00 0.00 H new ATOM 0 HA VAL A 40 4.092 13.422 2.833 1.00 0.00 H new ATOM 0 HB VAL A 40 5.456 11.010 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.344 9.657 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.171 10.407 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.418 11.086 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.488 10.779 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.652 12.256 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.878 12.345 2.618 1.00 0.00 H new ATOM 577 N ALA A 41 3.458 12.350 5.878 1.00 0.00 N ATOM 578 CA ALA A 41 2.392 12.079 6.835 1.00 0.00 C ATOM 579 C ALA A 41 1.430 13.258 6.934 1.00 0.00 C ATOM 580 O ALA A 41 0.212 13.086 6.879 1.00 0.00 O ATOM 581 CB ALA A 41 2.979 11.757 8.201 1.00 0.00 C ATOM 0 H ALA A 41 4.395 12.351 6.280 1.00 0.00 H new ATOM 0 HA ALA A 41 1.830 11.215 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.172 11.557 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.620 10.879 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.567 12.605 8.554 1.00 0.00 H new ATOM 587 N LYS A 42 1.984 14.456 7.082 1.00 0.00 N ATOM 588 CA LYS A 42 1.177 15.665 7.189 1.00 0.00 C ATOM 589 C LYS A 42 0.291 15.839 5.959 1.00 0.00 C ATOM 590 O LYS A 42 -0.860 16.263 6.064 1.00 0.00 O ATOM 591 CB LYS A 42 2.076 16.892 7.359 1.00 0.00 C ATOM 592 CG LYS A 42 1.321 18.209 7.328 1.00 0.00 C ATOM 593 CD LYS A 42 2.259 19.393 7.496 1.00 0.00 C ATOM 594 CE LYS A 42 1.494 20.706 7.556 1.00 0.00 C ATOM 595 NZ LYS A 42 1.061 21.033 8.943 1.00 0.00 N ATOM 0 H LYS A 42 2.990 14.616 7.131 1.00 0.00 H new ATOM 0 HA LYS A 42 0.537 15.567 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.611 16.812 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.826 16.894 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.784 18.300 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.574 18.220 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.843 19.269 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.965 19.420 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.122 21.510 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.620 20.647 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.543 21.935 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.441 20.278 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.896 21.115 9.557 1.00 0.00 H new ATOM 609 N LYS A 43 0.834 15.506 4.793 1.00 0.00 N ATOM 610 CA LYS A 43 0.093 15.622 3.542 1.00 0.00 C ATOM 611 C LYS A 43 -1.037 14.598 3.483 1.00 0.00 C ATOM 612 O LYS A 43 -2.207 14.958 3.346 1.00 0.00 O ATOM 613 CB LYS A 43 1.032 15.430 2.349 1.00 0.00 C ATOM 614 CG LYS A 43 1.760 16.698 1.939 1.00 0.00 C ATOM 615 CD LYS A 43 2.381 16.563 0.559 1.00 0.00 C ATOM 616 CE LYS A 43 2.899 17.898 0.047 1.00 0.00 C ATOM 617 NZ LYS A 43 2.984 17.927 -1.439 1.00 0.00 N ATOM 0 H LYS A 43 1.785 15.153 4.688 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.342 16.621 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.766 14.663 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.457 15.060 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.064 17.537 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.538 16.924 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.200 15.844 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.641 16.168 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.242 18.698 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.884 18.092 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.341 18.853 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.631 17.180 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.039 17.767 -1.844 1.00 0.00 H new ATOM 631 N LEU A 44 -0.680 13.323 3.588 1.00 0.00 N ATOM 632 CA LEU A 44 -1.664 12.247 3.548 1.00 0.00 C ATOM 633 C LEU A 44 -2.858 12.567 4.442 1.00 0.00 C ATOM 634 O LEU A 44 -3.986 12.696 3.968 1.00 0.00 O ATOM 635 CB LEU A 44 -1.025 10.928 3.984 1.00 0.00 C ATOM 636 CG LEU A 44 0.122 10.417 3.111 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.990 9.440 3.889 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.420 9.763 1.848 1.00 0.00 C ATOM 0 H LEU A 44 0.284 13.009 3.702 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.018 12.150 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.655 11.046 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.801 10.163 4.013 1.00 0.00 H new ATOM 0 HG LEU A 44 0.739 11.267 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.801 9.087 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.407 9.940 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.385 8.592 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.410 9.405 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.060 8.923 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.999 10.492 1.281 1.00 0.00 H new ATOM 650 N GLY A 45 -2.600 12.697 5.740 1.00 0.00 N ATOM 651 CA GLY A 45 -3.663 13.004 6.680 1.00 0.00 C ATOM 652 C GLY A 45 -4.655 14.007 6.127 1.00 0.00 C ATOM 653 O GLY A 45 -5.865 13.831 6.263 1.00 0.00 O ATOM 0 H GLY A 45 -1.675 12.595 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.188 12.086 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.228 13.397 7.599 1.00 0.00 H new ATOM 657 N GLU A 46 -4.142 15.062 5.502 1.00 0.00 N ATOM 658 CA GLU A 46 -4.993 16.098 4.929 1.00 0.00 C ATOM 659 C GLU A 46 -5.734 15.576 3.702 1.00 0.00 C ATOM 660 O GLU A 46 -6.959 15.667 3.618 1.00 0.00 O ATOM 661 CB GLU A 46 -4.158 17.324 4.551 1.00 0.00 C ATOM 662 CG GLU A 46 -4.009 18.330 5.679 1.00 0.00 C ATOM 663 CD GLU A 46 -5.192 19.274 5.780 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.700 19.702 4.722 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.610 19.584 6.915 1.00 0.00 O ATOM 0 H GLU A 46 -3.142 15.222 5.380 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.728 16.386 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.168 16.995 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.618 17.817 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.893 17.797 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.099 18.910 5.526 1.00 0.00 H new ATOM 672 N MET A 47 -4.983 15.029 2.752 1.00 0.00 N ATOM 673 CA MET A 47 -5.568 14.491 1.529 1.00 0.00 C ATOM 674 C MET A 47 -6.763 13.598 1.846 1.00 0.00 C ATOM 675 O MET A 47 -7.775 13.629 1.147 1.00 0.00 O ATOM 676 CB MET A 47 -4.521 13.702 0.741 1.00 0.00 C ATOM 677 CG MET A 47 -3.269 14.503 0.422 1.00 0.00 C ATOM 678 SD MET A 47 -2.474 13.970 -1.106 1.00 0.00 S ATOM 679 CE MET A 47 -2.315 12.211 -0.809 1.00 0.00 C ATOM 0 H MET A 47 -3.968 14.946 2.805 1.00 0.00 H new ATOM 0 HA MET A 47 -5.913 15.328 0.922 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.240 12.817 1.311 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.966 13.353 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.528 15.559 0.343 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.562 14.409 1.247 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.343 11.869 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.402 12.013 0.259 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.103 11.679 -1.342 1.00 0.00 H new ATOM 689 N TRP A 48 -6.638 12.803 2.903 1.00 0.00 N ATOM 690 CA TRP A 48 -7.709 11.901 3.311 1.00 0.00 C ATOM 691 C TRP A 48 -8.985 12.675 3.619 1.00 0.00 C ATOM 692 O TRP A 48 -10.027 12.441 3.008 1.00 0.00 O ATOM 693 CB TRP A 48 -7.281 11.090 4.536 1.00 0.00 C ATOM 694 CG TRP A 48 -8.353 10.175 5.046 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.932 10.202 6.282 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.971 9.098 4.334 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.874 9.206 6.382 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.917 8.515 5.200 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.819 8.570 3.049 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.705 7.431 4.820 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.601 7.494 2.674 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.535 6.935 3.556 1.00 0.00 C ATOM 0 H TRP A 48 -5.806 12.765 3.492 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.911 11.219 2.485 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.400 10.500 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.988 11.775 5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.686 10.903 7.066 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.448 9.013 7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.103 8.995 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.424 6.997 5.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.490 7.077 1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.133 6.096 3.232 1.00 0.00 H new ATOM 713 N ASN A 49 -8.897 13.599 4.571 1.00 0.00 N ATOM 714 CA ASN A 49 -10.047 14.408 4.960 1.00 0.00 C ATOM 715 C ASN A 49 -10.650 15.113 3.749 1.00 0.00 C ATOM 716 O ASN A 49 -11.869 15.233 3.632 1.00 0.00 O ATOM 717 CB ASN A 49 -9.638 15.439 6.014 1.00 0.00 C ATOM 718 CG ASN A 49 -10.826 15.979 6.785 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.599 15.220 7.369 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.977 17.299 6.791 1.00 0.00 N ATOM 0 H ASN A 49 -8.042 13.806 5.087 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.801 13.744 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.933 14.983 6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.118 16.265 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.758 17.721 7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.312 17.891 6.293 1.00 0.00 H new ATOM 727 N ASN A 50 -9.788 15.577 2.851 1.00 0.00 N ATOM 728 CA ASN A 50 -10.236 16.270 1.649 1.00 0.00 C ATOM 729 C ASN A 50 -11.222 15.413 0.861 1.00 0.00 C ATOM 730 O ASN A 50 -12.282 15.885 0.450 1.00 0.00 O ATOM 731 CB ASN A 50 -9.039 16.631 0.767 1.00 0.00 C ATOM 732 CG ASN A 50 -8.401 17.947 1.168 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.860 19.018 0.772 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.336 17.871 1.958 1.00 0.00 N ATOM 0 H ASN A 50 -8.775 15.486 2.933 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.742 17.185 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.295 15.837 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.362 16.689 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.864 18.723 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.990 16.961 2.262 1.00 0.00 H new ATOM 741 N LEU A 51 -10.866 14.149 0.656 1.00 0.00 N ATOM 742 CA LEU A 51 -11.719 13.224 -0.082 1.00 0.00 C ATOM 743 C LEU A 51 -13.167 13.331 0.383 1.00 0.00 C ATOM 744 O LEU A 51 -13.445 13.836 1.470 1.00 0.00 O ATOM 745 CB LEU A 51 -11.219 11.789 0.094 1.00 0.00 C ATOM 746 CG LEU A 51 -9.899 11.449 -0.598 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.299 10.181 -0.009 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.106 11.296 -2.098 1.00 0.00 C ATOM 0 H LEU A 51 -9.993 13.742 0.990 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.675 13.491 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.108 11.592 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.986 11.110 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.201 12.269 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.360 9.954 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.113 10.327 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.994 9.352 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.156 11.054 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.821 10.495 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.490 12.229 -2.509 1.00 0.00 H new ATOM 760 N ASN A 52 -14.087 12.850 -0.447 1.00 0.00 N ATOM 761 CA ASN A 52 -15.508 12.890 -0.120 1.00 0.00 C ATOM 762 C ASN A 52 -16.011 11.508 0.286 1.00 0.00 C ATOM 763 O ASN A 52 -15.386 10.493 -0.021 1.00 0.00 O ATOM 764 CB ASN A 52 -16.313 13.408 -1.313 1.00 0.00 C ATOM 765 CG ASN A 52 -17.808 13.360 -1.066 1.00 0.00 C ATOM 766 OD1 ASN A 52 -18.272 13.591 0.051 1.00 0.00 O ATOM 767 ND2 ASN A 52 -18.571 13.060 -2.111 1.00 0.00 N ATOM 0 H ASN A 52 -13.874 12.428 -1.351 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.643 13.569 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.016 14.434 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.074 12.814 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.585 13.014 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.143 12.876 -3.019 1.00 0.00 H new ATOM 774 N ASP A 53 -17.146 11.477 0.978 1.00 0.00 N ATOM 775 CA ASP A 53 -17.735 10.221 1.425 1.00 0.00 C ATOM 776 C ASP A 53 -17.916 9.259 0.255 1.00 0.00 C ATOM 777 O ASP A 53 -18.027 8.048 0.445 1.00 0.00 O ATOM 778 CB ASP A 53 -19.081 10.477 2.103 1.00 0.00 C ATOM 779 CG ASP A 53 -18.990 11.527 3.193 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.307 11.271 4.207 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.602 12.604 3.032 1.00 0.00 O ATOM 0 H ASP A 53 -17.676 12.308 1.241 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.055 9.766 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.806 10.796 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.452 9.545 2.530 1.00 0.00 H new ATOM 786 N SER A 54 -17.946 9.806 -0.956 1.00 0.00 N ATOM 787 CA SER A 54 -18.119 8.998 -2.157 1.00 0.00 C ATOM 788 C SER A 54 -16.772 8.503 -2.677 1.00 0.00 C ATOM 789 O SER A 54 -16.697 7.483 -3.361 1.00 0.00 O ATOM 790 CB SER A 54 -18.832 9.805 -3.243 1.00 0.00 C ATOM 791 OG SER A 54 -20.129 10.191 -2.822 1.00 0.00 O ATOM 0 H SER A 54 -17.853 10.806 -1.131 1.00 0.00 H new ATOM 0 HA SER A 54 -18.730 8.133 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.246 10.691 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.904 9.211 -4.154 1.00 0.00 H new ATOM 0 HG SER A 54 -20.564 10.707 -3.533 1.00 0.00 H new ATOM 797 N GLU A 55 -15.713 9.235 -2.347 1.00 0.00 N ATOM 798 CA GLU A 55 -14.369 8.871 -2.781 1.00 0.00 C ATOM 799 C GLU A 55 -13.788 7.774 -1.893 1.00 0.00 C ATOM 800 O GLU A 55 -13.069 6.893 -2.365 1.00 0.00 O ATOM 801 CB GLU A 55 -13.453 10.097 -2.761 1.00 0.00 C ATOM 802 CG GLU A 55 -13.794 11.128 -3.824 1.00 0.00 C ATOM 803 CD GLU A 55 -13.453 10.658 -5.224 1.00 0.00 C ATOM 804 OE1 GLU A 55 -12.546 9.811 -5.362 1.00 0.00 O ATOM 805 OE2 GLU A 55 -14.094 11.138 -6.183 1.00 0.00 O ATOM 0 H GLU A 55 -15.759 10.083 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.435 8.492 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.510 10.567 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.422 9.772 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.858 11.360 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.256 12.052 -3.614 1.00 0.00 H new ATOM 812 N LYS A 56 -14.105 7.835 -0.604 1.00 0.00 N ATOM 813 CA LYS A 56 -13.617 6.849 0.352 1.00 0.00 C ATOM 814 C LYS A 56 -14.430 5.561 0.268 1.00 0.00 C ATOM 815 O LYS A 56 -13.971 4.499 0.686 1.00 0.00 O ATOM 816 CB LYS A 56 -13.678 7.412 1.774 1.00 0.00 C ATOM 817 CG LYS A 56 -12.948 8.733 1.936 1.00 0.00 C ATOM 818 CD LYS A 56 -13.168 9.326 3.318 1.00 0.00 C ATOM 819 CE LYS A 56 -12.262 10.522 3.563 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.529 11.160 4.882 1.00 0.00 N ATOM 0 H LYS A 56 -14.699 8.558 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.581 6.621 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.722 7.546 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.251 6.683 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.881 8.583 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.294 9.436 1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.210 9.630 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.980 8.565 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.220 10.204 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.406 11.255 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.145 12.127 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.555 11.195 5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.074 10.605 5.635 1.00 0.00 H new ATOM 834 N GLN A 57 -15.638 5.664 -0.276 1.00 0.00 N ATOM 835 CA GLN A 57 -16.514 4.506 -0.415 1.00 0.00 C ATOM 836 C GLN A 57 -15.743 3.300 -0.941 1.00 0.00 C ATOM 837 O GLN A 57 -15.687 2.245 -0.309 1.00 0.00 O ATOM 838 CB GLN A 57 -17.678 4.831 -1.353 1.00 0.00 C ATOM 839 CG GLN A 57 -18.920 5.329 -0.632 1.00 0.00 C ATOM 840 CD GLN A 57 -19.786 4.199 -0.112 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.695 3.732 -0.798 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.507 3.752 1.107 1.00 0.00 N ATOM 0 H GLN A 57 -16.033 6.536 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.909 4.260 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.356 5.587 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.933 3.939 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.621 5.965 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.506 5.948 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.744 4.169 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.056 2.992 1.510 1.00 0.00 H new ATOM 851 N PRO A 58 -15.133 3.457 -2.125 1.00 0.00 N ATOM 852 CA PRO A 58 -14.353 2.392 -2.762 1.00 0.00 C ATOM 853 C PRO A 58 -13.053 2.102 -2.020 1.00 0.00 C ATOM 854 O PRO A 58 -12.361 1.128 -2.317 1.00 0.00 O ATOM 855 CB PRO A 58 -14.060 2.951 -4.156 1.00 0.00 C ATOM 856 CG PRO A 58 -14.119 4.431 -3.991 1.00 0.00 C ATOM 857 CD PRO A 58 -15.156 4.688 -2.933 1.00 0.00 C ATOM 0 HA PRO A 58 -14.891 1.444 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.081 2.631 -4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.794 2.604 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.149 4.829 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.389 4.918 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.911 5.566 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.139 4.864 -3.369 1.00 0.00 H new ATOM 865 N TYR A 59 -12.727 2.953 -1.053 1.00 0.00 N ATOM 866 CA TYR A 59 -11.508 2.789 -0.270 1.00 0.00 C ATOM 867 C TYR A 59 -11.792 2.045 1.031 1.00 0.00 C ATOM 868 O TYR A 59 -10.916 1.378 1.583 1.00 0.00 O ATOM 869 CB TYR A 59 -10.885 4.152 0.035 1.00 0.00 C ATOM 870 CG TYR A 59 -10.043 4.700 -1.095 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.952 3.991 -1.581 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.340 5.926 -1.678 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.179 4.488 -2.613 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.574 6.430 -2.711 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.494 5.707 -3.175 1.00 0.00 C ATOM 876 OH TYR A 59 -7.728 6.205 -4.204 1.00 0.00 O ATOM 0 H TYR A 59 -13.290 3.763 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.805 2.199 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.680 4.863 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.267 4.068 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.704 3.035 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.184 6.495 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.333 3.925 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.819 7.384 -3.153 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.014 5.569 -4.418 1.00 0.00 H new ATOM 886 N ILE A 60 -13.024 2.163 1.515 1.00 0.00 N ATOM 887 CA ILE A 60 -13.426 1.501 2.750 1.00 0.00 C ATOM 888 C ILE A 60 -13.826 0.052 2.492 1.00 0.00 C ATOM 889 O ILE A 60 -13.523 -0.839 3.286 1.00 0.00 O ATOM 890 CB ILE A 60 -14.600 2.233 3.426 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.191 3.659 3.803 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.066 1.467 4.655 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.354 4.530 4.224 1.00 0.00 C ATOM 0 H ILE A 60 -13.761 2.711 1.071 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.563 1.525 3.415 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.429 2.287 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.466 3.617 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.690 4.122 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.896 1.998 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.393 0.470 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.244 1.384 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.990 5.526 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.070 4.602 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.842 4.090 5.094 1.00 0.00 H new ATOM 905 N THR A 61 -14.508 -0.177 1.374 1.00 0.00 N ATOM 906 CA THR A 61 -14.950 -1.518 1.010 1.00 0.00 C ATOM 907 C THR A 61 -13.764 -2.463 0.850 1.00 0.00 C ATOM 908 O THR A 61 -13.844 -3.641 1.199 1.00 0.00 O ATOM 909 CB THR A 61 -15.762 -1.505 -0.299 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.802 -0.524 -0.221 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.367 -2.874 -0.573 1.00 0.00 C ATOM 0 H THR A 61 -14.766 0.548 0.705 1.00 0.00 H new ATOM 0 HA THR A 61 -15.587 -1.873 1.821 1.00 0.00 H new ATOM 0 HB THR A 61 -15.088 -1.253 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.422 0.368 -0.362 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.936 -2.841 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.570 -3.613 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.029 -3.150 0.248 1.00 0.00 H new ATOM 919 N LYS A 62 -12.663 -1.939 0.321 1.00 0.00 N ATOM 920 CA LYS A 62 -11.459 -2.735 0.116 1.00 0.00 C ATOM 921 C LYS A 62 -10.914 -3.249 1.445 1.00 0.00 C ATOM 922 O LYS A 62 -10.414 -4.370 1.530 1.00 0.00 O ATOM 923 CB LYS A 62 -10.390 -1.906 -0.599 1.00 0.00 C ATOM 924 CG LYS A 62 -9.449 -2.735 -1.455 1.00 0.00 C ATOM 925 CD LYS A 62 -8.284 -3.274 -0.641 1.00 0.00 C ATOM 926 CE LYS A 62 -7.534 -4.362 -1.395 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.857 -3.829 -2.609 1.00 0.00 N ATOM 0 H LYS A 62 -12.580 -0.966 0.026 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.721 -3.591 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.879 -1.162 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.807 -1.362 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.997 -3.565 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.070 -2.126 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.600 -2.460 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.653 -3.673 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.794 -4.816 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.230 -5.150 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.357 -4.601 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.566 -3.418 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.174 -3.095 -2.332 1.00 0.00 H new ATOM 941 N ALA A 63 -11.016 -2.422 2.481 1.00 0.00 N ATOM 942 CA ALA A 63 -10.537 -2.795 3.806 1.00 0.00 C ATOM 943 C ALA A 63 -11.425 -3.865 4.430 1.00 0.00 C ATOM 944 O ALA A 63 -10.968 -4.670 5.242 1.00 0.00 O ATOM 945 CB ALA A 63 -10.470 -1.571 4.707 1.00 0.00 C ATOM 0 H ALA A 63 -11.426 -1.490 2.428 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.535 -3.209 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.111 -1.864 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.788 -0.838 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.463 -1.132 4.799 1.00 0.00 H new ATOM 951 N ALA A 64 -12.698 -3.869 4.047 1.00 0.00 N ATOM 952 CA ALA A 64 -13.650 -4.842 4.568 1.00 0.00 C ATOM 953 C ALA A 64 -13.224 -6.265 4.225 1.00 0.00 C ATOM 954 O ALA A 64 -13.400 -7.186 5.023 1.00 0.00 O ATOM 955 CB ALA A 64 -15.043 -4.560 4.025 1.00 0.00 C ATOM 0 H ALA A 64 -13.094 -3.209 3.378 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.670 -4.749 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.744 -5.294 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.355 -3.560 4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.029 -4.623 2.937 1.00 0.00 H new