USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 908 GLN : amide:sc= 0.446 K(o=1.9,f=-0.44) USER MOD Set 1.2: A 912 ASN : amide:sc= 1.49 K(o=1.9,f=-3) USER MOD Set 2.1: A 868 CYS SG : rot -171:sc= 1.21 USER MOD Set 2.2: A 871 CYS SG : rot 78:sc= -0.0914 USER MOD Set 2.3: A 873 LYS NZ :NH3+ 180:sc= 1.75 (180deg=1.75) USER MOD Set 2.4: A 893 CYS SG : rot 51:sc= -1.58! USER MOD Set 2.5: A 904 CYS SG : rot 180:sc= -0.0188 USER MOD Single : A 863 SER OG : rot 180:sc= 0.628 USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= -1.01! C(o=-1!,f=-6.1!) USER MOD Single : A 896 ASN : amide:sc=-0.000604 X(o=-0.0006,f=-0.027) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 23:sc= 0.366 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 916 ASN : amide:sc= -0.0166 K(o=-0.017,f=-4.1!) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.82!) USER MOD Single : B 6 THR OG1 : rot 170:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.675 6.606 -12.715 1.00 0.00 N ATOM 189 CA SER A 863 -21.473 5.189 -12.342 1.00 0.00 C ATOM 190 C SER A 863 -20.335 4.511 -13.120 1.00 0.00 C ATOM 191 O SER A 863 -20.207 4.658 -14.338 1.00 0.00 O ATOM 192 CB SER A 863 -22.769 4.377 -12.468 1.00 0.00 C ATOM 193 OG SER A 863 -23.210 4.276 -13.814 1.00 0.00 O ATOM 0 HA SER A 863 -21.173 5.205 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.610 3.377 -12.064 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.548 4.844 -11.866 1.00 0.00 H new ATOM 0 HG SER A 863 -24.036 3.750 -13.849 1.00 0.00 H new ATOM 199 N ALA A 864 -19.503 3.759 -12.398 1.00 0.00 N ATOM 200 CA ALA A 864 -18.219 3.242 -12.877 1.00 0.00 C ATOM 201 C ALA A 864 -18.023 1.784 -12.436 1.00 0.00 C ATOM 202 O ALA A 864 -18.837 1.252 -11.690 1.00 0.00 O ATOM 203 CB ALA A 864 -17.123 4.164 -12.328 1.00 0.00 C ATOM 0 H ALA A 864 -19.709 3.485 -11.437 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.180 3.237 -13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.148 3.811 -12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.286 5.179 -12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.155 4.159 -11.238 1.00 0.00 H new ATOM 209 N TRP A 865 -16.973 1.107 -12.886 1.00 0.00 N ATOM 210 CA TRP A 865 -16.605 -0.209 -12.342 1.00 0.00 C ATOM 211 C TRP A 865 -15.661 -0.111 -11.126 1.00 0.00 C ATOM 212 O TRP A 865 -15.227 0.974 -10.734 1.00 0.00 O ATOM 213 CB TRP A 865 -16.035 -1.037 -13.496 1.00 0.00 C ATOM 214 CG TRP A 865 -17.027 -1.286 -14.597 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.352 -0.415 -15.582 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.889 -2.447 -14.801 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.372 -0.938 -16.353 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.732 -2.201 -15.926 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.015 -3.701 -14.167 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.638 -3.159 -16.404 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.911 -4.678 -14.643 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.720 -4.404 -15.757 1.00 0.00 C ATOM 0 H TRP A 865 -16.357 1.442 -13.627 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.486 -0.709 -11.939 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.167 -0.523 -13.908 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.685 -1.994 -13.109 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.884 0.545 -15.741 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.805 -0.452 -17.139 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.411 -3.917 -13.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.264 -2.943 -17.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.976 -5.637 -14.151 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.409 -5.153 -16.119 1.00 0.00 H new ATOM 233 N VAL A 866 -15.360 -1.265 -10.523 1.00 0.00 N ATOM 234 CA VAL A 866 -14.274 -1.494 -9.549 1.00 0.00 C ATOM 235 C VAL A 866 -13.752 -2.934 -9.653 1.00 0.00 C ATOM 236 O VAL A 866 -14.525 -3.851 -9.946 1.00 0.00 O ATOM 237 CB VAL A 866 -14.718 -1.140 -8.117 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.868 -2.018 -7.624 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.576 -1.228 -7.102 1.00 0.00 C ATOM 0 H VAL A 866 -15.893 -2.115 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.448 -0.826 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.056 -0.106 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.140 -1.725 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.729 -1.893 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.556 -3.062 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.949 -0.968 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.181 -2.244 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.784 -0.535 -7.385 1.00 0.00 H new ATOM 249 N ARG A 867 -12.440 -3.133 -9.455 1.00 0.00 N ATOM 250 CA ARG A 867 -11.787 -4.458 -9.408 1.00 0.00 C ATOM 251 C ARG A 867 -11.853 -5.074 -8.005 1.00 0.00 C ATOM 252 O ARG A 867 -11.624 -4.364 -7.025 1.00 0.00 O ATOM 253 CB ARG A 867 -10.311 -4.345 -9.851 1.00 0.00 C ATOM 254 CG ARG A 867 -9.888 -5.452 -10.830 1.00 0.00 C ATOM 255 CD ARG A 867 -8.465 -5.229 -11.369 1.00 0.00 C ATOM 256 NE ARG A 867 -7.485 -6.205 -10.834 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.477 -6.729 -11.508 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.192 -6.362 -12.718 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -5.730 -7.651 -10.983 1.00 0.00 N ATOM 0 H ARG A 867 -11.786 -2.362 -9.320 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.328 -5.111 -10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.152 -3.374 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.670 -4.383 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.939 -6.419 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.590 -5.488 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.480 -5.296 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.140 -4.220 -11.116 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.599 -6.496 -9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.754 -5.647 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.406 -6.788 -13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.917 -7.982 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -4.955 -8.045 -11.517 1.00 0.00 H new ATOM 273 N CYS A 868 -12.037 -6.392 -7.908 1.00 0.00 N ATOM 274 CA CYS A 868 -11.676 -7.140 -6.706 1.00 0.00 C ATOM 275 C CYS A 868 -10.136 -7.257 -6.597 1.00 0.00 C ATOM 276 O CYS A 868 -9.473 -7.781 -7.498 1.00 0.00 O ATOM 277 CB CYS A 868 -12.403 -8.496 -6.700 1.00 0.00 C ATOM 278 SG CYS A 868 -11.890 -9.458 -5.228 1.00 0.00 S ATOM 0 H CYS A 868 -12.436 -6.964 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 868 -12.004 -6.609 -5.813 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.482 -8.342 -6.689 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.169 -9.050 -7.609 1.00 0.00 H new ATOM 0 HG CYS A 868 -12.353 -10.669 -5.318 1.00 0.00 H new ATOM 283 N ASP A 869 -9.571 -6.774 -5.487 1.00 0.00 N ATOM 284 CA ASP A 869 -8.151 -6.933 -5.161 1.00 0.00 C ATOM 285 C ASP A 869 -7.743 -8.386 -4.836 1.00 0.00 C ATOM 286 O ASP A 869 -6.568 -8.737 -4.967 1.00 0.00 O ATOM 287 CB ASP A 869 -7.796 -6.008 -3.980 1.00 0.00 C ATOM 288 CG ASP A 869 -7.636 -4.526 -4.346 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.462 -3.709 -3.414 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.557 -4.162 -5.541 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.093 -6.255 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.590 -6.658 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.573 -6.098 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.867 -6.358 -3.529 1.00 0.00 H new ATOM 295 N ASP A 870 -8.688 -9.245 -4.440 1.00 0.00 N ATOM 296 CA ASP A 870 -8.431 -10.657 -4.121 1.00 0.00 C ATOM 297 C ASP A 870 -8.450 -11.514 -5.404 1.00 0.00 C ATOM 298 O ASP A 870 -7.518 -12.282 -5.657 1.00 0.00 O ATOM 299 CB ASP A 870 -9.439 -11.141 -3.058 1.00 0.00 C ATOM 300 CG ASP A 870 -9.053 -12.461 -2.352 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.871 -12.963 -1.544 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.931 -12.990 -2.544 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.666 -8.978 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.434 -10.765 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.553 -10.362 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.412 -11.270 -3.532 1.00 0.00 H new ATOM 307 N CYS A 871 -9.439 -11.283 -6.275 1.00 0.00 N ATOM 308 CA CYS A 871 -9.515 -11.822 -7.626 1.00 0.00 C ATOM 309 C CYS A 871 -8.757 -10.902 -8.633 1.00 0.00 C ATOM 310 O CYS A 871 -7.529 -10.791 -8.626 1.00 0.00 O ATOM 311 CB CYS A 871 -11.013 -12.043 -7.996 1.00 0.00 C ATOM 312 SG CYS A 871 -11.928 -13.140 -6.880 1.00 0.00 S ATOM 0 H CYS A 871 -10.237 -10.691 -6.043 1.00 0.00 H new ATOM 0 HA CYS A 871 -9.015 -12.789 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.512 -11.074 -8.018 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -11.065 -12.451 -9.005 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.247 -12.492 -5.799 1.00 0.00 H new ATOM 317 N PHE A 872 -9.560 -10.289 -9.503 1.00 0.00 N ATOM 318 CA PHE A 872 -9.293 -9.428 -10.665 1.00 0.00 C ATOM 319 C PHE A 872 -10.608 -9.129 -11.433 1.00 0.00 C ATOM 320 O PHE A 872 -10.646 -8.253 -12.297 1.00 0.00 O ATOM 321 CB PHE A 872 -8.270 -10.069 -11.620 1.00 0.00 C ATOM 322 CG PHE A 872 -8.514 -11.522 -12.010 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.488 -11.851 -12.972 1.00 0.00 C ATOM 324 CD2 PHE A 872 -7.757 -12.554 -11.419 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.719 -13.191 -13.327 1.00 0.00 C ATOM 326 CE2 PHE A 872 -7.989 -13.896 -11.768 1.00 0.00 C ATOM 327 CZ PHE A 872 -8.971 -14.217 -12.722 1.00 0.00 C ATOM 0 H PHE A 872 -10.568 -10.401 -9.393 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.873 -8.495 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.236 -9.473 -12.532 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.285 -10.001 -11.158 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.063 -11.066 -13.441 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -6.994 -12.312 -10.694 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.471 -13.433 -14.064 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -7.412 -14.682 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.150 -15.248 -12.989 1.00 0.00 H new ATOM 337 N LYS A 873 -11.688 -9.861 -11.111 1.00 0.00 N ATOM 338 CA LYS A 873 -13.100 -9.610 -11.459 1.00 0.00 C ATOM 339 C LYS A 873 -13.503 -8.132 -11.362 1.00 0.00 C ATOM 340 O LYS A 873 -12.998 -7.414 -10.497 1.00 0.00 O ATOM 341 CB LYS A 873 -13.972 -10.418 -10.492 1.00 0.00 C ATOM 342 CG LYS A 873 -15.388 -10.626 -11.045 1.00 0.00 C ATOM 343 CD LYS A 873 -16.005 -11.914 -10.506 1.00 0.00 C ATOM 344 CE LYS A 873 -16.462 -11.739 -9.052 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.469 -13.017 -8.296 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.590 -10.712 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.240 -9.907 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.508 -11.387 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.028 -9.902 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.016 -9.777 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.355 -10.663 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.854 -12.201 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.277 -12.723 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.804 -11.029 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.463 -11.309 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.785 -12.842 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.117 -13.688 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.509 -13.417 -8.282 1.00 0.00 H new ATOM 359 N TRP A 874 -14.475 -7.718 -12.175 1.00 0.00 N ATOM 360 CA TRP A 874 -15.063 -6.371 -12.140 1.00 0.00 C ATOM 361 C TRP A 874 -16.514 -6.371 -11.639 1.00 0.00 C ATOM 362 O TRP A 874 -17.246 -7.345 -11.834 1.00 0.00 O ATOM 363 CB TRP A 874 -14.955 -5.711 -13.523 1.00 0.00 C ATOM 364 CG TRP A 874 -13.570 -5.638 -14.081 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.022 -6.516 -14.947 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.506 -4.700 -13.748 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.689 -6.210 -15.142 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.318 -5.109 -14.417 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.408 -3.571 -12.914 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.095 -4.449 -14.274 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.175 -2.914 -12.742 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.025 -3.323 -13.435 1.00 0.00 C ATOM 0 H TRP A 874 -14.886 -8.317 -12.891 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.491 -5.785 -11.420 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.584 -6.262 -14.222 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.359 -4.701 -13.459 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.547 -7.335 -15.417 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.061 -6.737 -15.749 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.286 -3.206 -12.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.218 -4.798 -14.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.113 -2.077 -12.062 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.098 -2.780 -13.325 1.00 0.00 H new ATOM 383 N ARG A 875 -16.954 -5.252 -11.048 1.00 0.00 N ATOM 384 CA ARG A 875 -18.342 -4.991 -10.620 1.00 0.00 C ATOM 385 C ARG A 875 -18.722 -3.538 -10.899 1.00 0.00 C ATOM 386 O ARG A 875 -17.913 -2.644 -10.663 1.00 0.00 O ATOM 387 CB ARG A 875 -18.505 -5.292 -9.116 1.00 0.00 C ATOM 388 CG ARG A 875 -18.609 -6.786 -8.758 1.00 0.00 C ATOM 389 CD ARG A 875 -19.755 -7.534 -9.453 1.00 0.00 C ATOM 390 NE ARG A 875 -21.046 -6.809 -9.386 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.071 -6.990 -10.200 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.092 -7.932 -11.089 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.128 -6.245 -10.164 1.00 0.00 N ATOM 0 H ARG A 875 -16.331 -4.470 -10.845 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.004 -5.645 -11.187 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.657 -4.864 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.399 -4.784 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.668 -7.273 -9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.734 -6.879 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.492 -7.700 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.872 -8.516 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.152 -6.111 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.298 -8.566 -11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.902 -8.039 -11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.192 -5.483 -9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.897 -6.419 -10.811 1.00 0.00 H new ATOM 407 N ARG A 876 -19.939 -3.303 -11.398 1.00 0.00 N ATOM 408 CA ARG A 876 -20.502 -1.964 -11.647 1.00 0.00 C ATOM 409 C ARG A 876 -21.012 -1.349 -10.335 1.00 0.00 C ATOM 410 O ARG A 876 -21.782 -1.981 -9.612 1.00 0.00 O ATOM 411 CB ARG A 876 -21.607 -2.087 -12.715 1.00 0.00 C ATOM 412 CG ARG A 876 -22.201 -0.752 -13.197 1.00 0.00 C ATOM 413 CD ARG A 876 -21.209 0.093 -14.011 1.00 0.00 C ATOM 414 NE ARG A 876 -21.866 1.282 -14.585 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.534 1.344 -15.723 1.00 0.00 C ATOM 416 NH1 ARG A 876 -22.643 0.333 -16.532 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -23.134 2.440 -16.065 1.00 0.00 N ATOM 0 H ARG A 876 -20.580 -4.056 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.736 -1.288 -12.027 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.201 -2.618 -13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.413 -2.701 -12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -23.082 -0.953 -13.806 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.535 -0.177 -12.333 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -20.382 0.404 -13.372 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.783 -0.512 -14.811 1.00 0.00 H new ATOM 0 HE ARG A 876 -21.798 2.146 -14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -22.202 -0.557 -16.299 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.170 0.429 -17.400 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -23.091 3.257 -15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -23.649 2.486 -16.944 1.00 0.00 H new ATOM 431 N ILE A 877 -20.587 -0.120 -10.044 1.00 0.00 N ATOM 432 CA ILE A 877 -20.850 0.634 -8.803 1.00 0.00 C ATOM 433 C ILE A 877 -21.269 2.089 -9.088 1.00 0.00 C ATOM 434 O ILE A 877 -20.960 2.628 -10.155 1.00 0.00 O ATOM 435 CB ILE A 877 -19.603 0.603 -7.880 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.401 1.356 -8.501 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.263 -0.849 -7.504 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.219 1.545 -7.551 1.00 0.00 C ATOM 0 H ILE A 877 -20.017 0.413 -10.701 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.684 0.148 -8.297 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.840 1.139 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.061 0.811 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.738 2.335 -8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.387 -0.861 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.108 -1.297 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.053 -1.420 -8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.421 2.081 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.539 2.118 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.852 0.571 -7.228 1.00 0.00 H new ATOM 450 N PRO A 878 -21.918 2.786 -8.140 1.00 0.00 N ATOM 451 CA PRO A 878 -22.065 4.234 -8.222 1.00 0.00 C ATOM 452 C PRO A 878 -20.723 4.958 -8.014 1.00 0.00 C ATOM 453 O PRO A 878 -19.861 4.529 -7.241 1.00 0.00 O ATOM 454 CB PRO A 878 -23.087 4.598 -7.139 1.00 0.00 C ATOM 455 CG PRO A 878 -22.865 3.517 -6.080 1.00 0.00 C ATOM 456 CD PRO A 878 -22.532 2.281 -6.916 1.00 0.00 C ATOM 0 HA PRO A 878 -22.402 4.548 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.913 5.597 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.106 4.582 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.052 3.777 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.754 3.363 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.852 1.618 -6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.430 1.704 -7.137 1.00 0.00 H new ATOM 464 N ALA A 879 -20.581 6.120 -8.654 1.00 0.00 N ATOM 465 CA ALA A 879 -19.444 7.037 -8.502 1.00 0.00 C ATOM 466 C ALA A 879 -19.123 7.423 -7.042 1.00 0.00 C ATOM 467 O ALA A 879 -17.969 7.683 -6.702 1.00 0.00 O ATOM 468 CB ALA A 879 -19.782 8.302 -9.297 1.00 0.00 C ATOM 0 H ALA A 879 -21.277 6.463 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.553 6.526 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.962 9.015 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.932 8.044 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.693 8.749 -8.900 1.00 0.00 H new ATOM 474 N SER A 880 -20.125 7.399 -6.159 1.00 0.00 N ATOM 475 CA SER A 880 -19.983 7.652 -4.716 1.00 0.00 C ATOM 476 C SER A 880 -19.038 6.652 -4.035 1.00 0.00 C ATOM 477 O SER A 880 -18.392 6.989 -3.041 1.00 0.00 O ATOM 478 CB SER A 880 -21.358 7.571 -4.039 1.00 0.00 C ATOM 479 OG SER A 880 -22.306 8.397 -4.701 1.00 0.00 O ATOM 0 H SER A 880 -21.087 7.198 -6.433 1.00 0.00 H new ATOM 0 HA SER A 880 -19.554 8.648 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.707 6.538 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.271 7.876 -2.996 1.00 0.00 H new ATOM 0 HG SER A 880 -23.173 8.325 -4.251 1.00 0.00 H new ATOM 485 N VAL A 881 -18.920 5.436 -4.587 1.00 0.00 N ATOM 486 CA VAL A 881 -17.957 4.416 -4.153 1.00 0.00 C ATOM 487 C VAL A 881 -16.654 4.530 -4.936 1.00 0.00 C ATOM 488 O VAL A 881 -15.584 4.442 -4.338 1.00 0.00 O ATOM 489 CB VAL A 881 -18.580 3.005 -4.231 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.616 1.870 -3.868 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.781 2.891 -3.279 1.00 0.00 C ATOM 0 H VAL A 881 -19.504 5.128 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.708 4.592 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.869 2.891 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.133 0.914 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.767 1.882 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.262 2.006 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.206 1.890 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.453 3.076 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.536 3.626 -3.557 1.00 0.00 H new ATOM 501 N VAL A 882 -16.702 4.826 -6.241 1.00 0.00 N ATOM 502 CA VAL A 882 -15.460 4.924 -7.041 1.00 0.00 C ATOM 503 C VAL A 882 -14.576 6.114 -6.628 1.00 0.00 C ATOM 504 O VAL A 882 -13.366 6.099 -6.845 1.00 0.00 O ATOM 505 CB VAL A 882 -15.722 4.883 -8.564 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.780 6.259 -9.235 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.620 4.086 -9.275 1.00 0.00 C ATOM 0 H VAL A 882 -17.562 4.999 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.888 4.026 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.702 4.416 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.967 6.136 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.583 6.847 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.831 6.775 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.819 4.066 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.655 4.558 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.603 3.066 -8.890 1.00 0.00 H new ATOM 517 N GLY A 883 -15.175 7.124 -5.989 1.00 0.00 N ATOM 518 CA GLY A 883 -14.477 8.266 -5.386 1.00 0.00 C ATOM 519 C GLY A 883 -13.908 7.990 -3.985 1.00 0.00 C ATOM 520 O GLY A 883 -13.011 8.704 -3.534 1.00 0.00 O ATOM 0 H GLY A 883 -16.187 7.172 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.662 8.567 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.166 9.108 -5.326 1.00 0.00 H new ATOM 524 N SER A 884 -14.410 6.955 -3.299 1.00 0.00 N ATOM 525 CA SER A 884 -13.927 6.499 -1.987 1.00 0.00 C ATOM 526 C SER A 884 -12.785 5.478 -2.113 1.00 0.00 C ATOM 527 O SER A 884 -11.779 5.570 -1.406 1.00 0.00 O ATOM 528 CB SER A 884 -15.104 5.907 -1.201 1.00 0.00 C ATOM 529 OG SER A 884 -14.700 5.510 0.099 1.00 0.00 O ATOM 0 H SER A 884 -15.186 6.395 -3.651 1.00 0.00 H new ATOM 0 HA SER A 884 -13.518 7.356 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 884 -15.904 6.644 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.509 5.049 -1.737 1.00 0.00 H new ATOM 0 HG SER A 884 -15.468 5.137 0.581 1.00 0.00 H new ATOM 535 N ILE A 885 -12.919 4.531 -3.049 1.00 0.00 N ATOM 536 CA ILE A 885 -11.934 3.480 -3.346 1.00 0.00 C ATOM 537 C ILE A 885 -10.670 4.077 -3.992 1.00 0.00 C ATOM 538 O ILE A 885 -10.745 4.916 -4.894 1.00 0.00 O ATOM 539 CB ILE A 885 -12.602 2.373 -4.207 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.333 1.304 -3.360 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.625 1.601 -5.107 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.350 1.851 -2.354 1.00 0.00 C ATOM 0 H ILE A 885 -13.746 4.472 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.599 3.013 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.304 2.941 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.846 0.618 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.588 0.721 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.171 0.847 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.140 2.293 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.869 1.114 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -14.807 1.023 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -13.845 2.512 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.123 2.408 -2.884 1.00 0.00 H new ATOM 603 N ARG A 890 -8.888 -1.637 0.050 1.00 0.00 N ATOM 604 CA ARG A 890 -8.922 -3.077 -0.277 1.00 0.00 C ATOM 605 C ARG A 890 -10.350 -3.510 -0.634 1.00 0.00 C ATOM 606 O ARG A 890 -11.062 -4.064 0.204 1.00 0.00 O ATOM 607 CB ARG A 890 -8.315 -3.908 0.872 1.00 0.00 C ATOM 608 CG ARG A 890 -6.811 -3.656 1.067 1.00 0.00 C ATOM 609 CD ARG A 890 -6.238 -4.578 2.148 1.00 0.00 C ATOM 610 NE ARG A 890 -4.797 -4.336 2.354 1.00 0.00 N ATOM 611 CZ ARG A 890 -4.008 -4.962 3.210 1.00 0.00 C ATOM 612 NH1 ARG A 890 -4.445 -5.905 3.996 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -2.746 -4.647 3.295 1.00 0.00 N ATOM 0 HA ARG A 890 -8.305 -3.262 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.840 -3.675 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.477 -4.967 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.286 -3.821 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.646 -2.615 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.773 -4.419 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.397 -5.618 1.863 1.00 0.00 H new ATOM 0 HE ARG A 890 -4.366 -3.613 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.426 -6.182 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -3.806 -6.366 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -2.362 -3.914 2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -2.142 -5.134 3.958 1.00 0.00 H new ATOM 627 N TRP A 891 -10.794 -3.202 -1.857 1.00 0.00 N ATOM 628 CA TRP A 891 -12.144 -3.541 -2.335 1.00 0.00 C ATOM 629 C TRP A 891 -12.168 -4.971 -2.883 1.00 0.00 C ATOM 630 O TRP A 891 -11.297 -5.327 -3.679 1.00 0.00 O ATOM 631 CB TRP A 891 -12.620 -2.545 -3.396 1.00 0.00 C ATOM 632 CG TRP A 891 -14.088 -2.608 -3.709 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.000 -1.752 -3.206 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.855 -3.562 -4.513 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.254 -2.043 -3.694 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.236 -3.193 -4.451 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.540 -4.717 -5.264 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.245 -3.939 -5.073 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.548 -5.485 -5.880 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.895 -5.102 -5.772 1.00 0.00 C ATOM 0 H TRP A 891 -10.228 -2.709 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.831 -3.480 -1.491 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.378 -1.536 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.060 -2.719 -4.315 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.778 -0.951 -2.517 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.087 -1.481 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.508 -5.017 -5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.276 -3.623 -5.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.284 -6.372 -6.437 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.664 -5.706 -6.230 1.00 0.00 H new ATOM 651 N ILE A 892 -13.154 -5.782 -2.491 1.00 0.00 N ATOM 652 CA ILE A 892 -13.287 -7.183 -2.931 1.00 0.00 C ATOM 653 C ILE A 892 -14.753 -7.601 -3.126 1.00 0.00 C ATOM 654 O ILE A 892 -15.662 -6.947 -2.615 1.00 0.00 O ATOM 655 CB ILE A 892 -12.584 -8.129 -1.929 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.229 -8.016 -0.538 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.066 -7.889 -1.846 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.976 -9.215 0.357 1.00 0.00 C ATOM 0 H ILE A 892 -13.893 -5.486 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.801 -7.262 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.719 -9.143 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.851 -7.121 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.304 -7.884 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.627 -8.581 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.618 -8.051 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.877 -6.865 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.463 -9.060 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.380 -10.112 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.903 -9.336 0.508 1.00 0.00 H new ATOM 670 N CYS A 893 -15.001 -8.743 -3.777 1.00 0.00 N ATOM 671 CA CYS A 893 -16.342 -9.304 -3.925 1.00 0.00 C ATOM 672 C CYS A 893 -17.138 -9.356 -2.594 1.00 0.00 C ATOM 673 O CYS A 893 -18.321 -9.024 -2.585 1.00 0.00 O ATOM 674 CB CYS A 893 -16.264 -10.695 -4.568 1.00 0.00 C ATOM 675 SG CYS A 893 -15.283 -10.771 -6.101 1.00 0.00 S ATOM 0 H CYS A 893 -14.271 -9.304 -4.217 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.894 -8.630 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.838 -11.391 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.276 -11.038 -4.783 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.119 -10.228 -5.899 1.00 0.00 H new ATOM 680 N MET A 894 -16.523 -9.751 -1.467 1.00 0.00 N ATOM 681 CA MET A 894 -17.244 -9.911 -0.189 1.00 0.00 C ATOM 682 C MET A 894 -17.881 -8.598 0.320 1.00 0.00 C ATOM 683 O MET A 894 -18.867 -8.628 1.057 1.00 0.00 O ATOM 684 CB MET A 894 -16.289 -10.514 0.856 1.00 0.00 C ATOM 685 CG MET A 894 -16.959 -10.946 2.166 1.00 0.00 C ATOM 686 SD MET A 894 -18.150 -12.307 2.007 1.00 0.00 S ATOM 687 CE MET A 894 -18.665 -12.456 3.739 1.00 0.00 C ATOM 0 H MET A 894 -15.527 -9.966 -1.413 1.00 0.00 H new ATOM 0 HA MET A 894 -18.080 -10.590 -0.360 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.791 -11.378 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.514 -9.782 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.184 -11.243 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.470 -10.085 2.596 1.00 0.00 H new ATOM 0 HE1 MET A 894 -19.403 -13.253 3.832 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.798 -12.690 4.357 1.00 0.00 H new ATOM 0 HE3 MET A 894 -19.104 -11.515 4.070 1.00 0.00 H new ATOM 697 N ASN A 895 -17.347 -7.442 -0.099 1.00 0.00 N ATOM 698 CA ASN A 895 -17.858 -6.107 0.242 1.00 0.00 C ATOM 699 C ASN A 895 -18.727 -5.450 -0.852 1.00 0.00 C ATOM 700 O ASN A 895 -19.098 -4.281 -0.749 1.00 0.00 O ATOM 701 CB ASN A 895 -16.677 -5.238 0.693 1.00 0.00 C ATOM 702 CG ASN A 895 -15.638 -4.859 -0.333 1.00 0.00 C ATOM 703 OD1 ASN A 895 -14.450 -5.011 -0.116 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.018 -4.347 -1.471 1.00 0.00 N ATOM 0 H ASN A 895 -16.525 -7.409 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.564 -6.213 1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -17.082 -4.317 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -16.169 -5.761 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -15.322 -4.079 -2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -17.011 -4.215 -1.665 1.00 0.00 H new ATOM 711 N ASN A 896 -18.987 -6.182 -1.930 1.00 0.00 N ATOM 712 CA ASN A 896 -19.805 -5.753 -3.074 1.00 0.00 C ATOM 713 C ASN A 896 -21.234 -5.351 -2.666 1.00 0.00 C ATOM 714 O ASN A 896 -21.871 -5.993 -1.828 1.00 0.00 O ATOM 715 CB ASN A 896 -19.839 -6.859 -4.148 1.00 0.00 C ATOM 716 CG ASN A 896 -20.596 -6.472 -5.407 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.429 -5.395 -5.956 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.477 -7.313 -5.899 1.00 0.00 N ATOM 0 H ASN A 896 -18.623 -7.128 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.335 -4.861 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.816 -7.122 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.296 -7.752 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -22.012 -7.063 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.626 -8.216 -5.450 1.00 0.00 H new ATOM 725 N SER A 897 -21.754 -4.316 -3.329 1.00 0.00 N ATOM 726 CA SER A 897 -23.124 -3.808 -3.179 1.00 0.00 C ATOM 727 C SER A 897 -24.210 -4.853 -3.464 1.00 0.00 C ATOM 728 O SER A 897 -25.184 -4.976 -2.720 1.00 0.00 O ATOM 729 CB SER A 897 -23.315 -2.657 -4.171 1.00 0.00 C ATOM 730 OG SER A 897 -22.501 -1.546 -3.827 1.00 0.00 O ATOM 0 H SER A 897 -21.213 -3.786 -4.013 1.00 0.00 H new ATOM 0 HA SER A 897 -23.235 -3.502 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.068 -2.995 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.362 -2.354 -4.185 1.00 0.00 H new ATOM 0 HG SER A 897 -22.640 -0.825 -4.476 1.00 0.00 H new ATOM 736 N ASP A 898 -24.047 -5.596 -4.558 1.00 0.00 N ATOM 737 CA ASP A 898 -25.026 -6.565 -5.067 1.00 0.00 C ATOM 738 C ASP A 898 -24.781 -7.970 -4.508 1.00 0.00 C ATOM 739 O ASP A 898 -23.873 -8.684 -4.939 1.00 0.00 O ATOM 740 CB ASP A 898 -25.034 -6.575 -6.604 1.00 0.00 C ATOM 741 CG ASP A 898 -24.987 -5.169 -7.225 1.00 0.00 C ATOM 742 OD1 ASP A 898 -23.956 -4.841 -7.861 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.972 -4.406 -7.084 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.207 -5.541 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 898 -26.010 -6.249 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.179 -7.150 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.931 -7.088 -6.952 1.00 0.00 H new ATOM 748 N LYS A 899 -25.641 -8.398 -3.581 1.00 0.00 N ATOM 749 CA LYS A 899 -25.561 -9.692 -2.871 1.00 0.00 C ATOM 750 C LYS A 899 -25.597 -10.908 -3.811 1.00 0.00 C ATOM 751 O LYS A 899 -25.069 -11.966 -3.470 1.00 0.00 O ATOM 752 CB LYS A 899 -26.693 -9.771 -1.828 1.00 0.00 C ATOM 753 CG LYS A 899 -26.615 -8.681 -0.743 1.00 0.00 C ATOM 754 CD LYS A 899 -25.671 -9.089 0.391 1.00 0.00 C ATOM 755 CE LYS A 899 -26.341 -10.113 1.317 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.439 -10.529 2.423 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.443 -7.839 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.591 -9.732 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.652 -9.693 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.666 -10.750 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.270 -7.747 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.611 -8.494 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.757 -9.512 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.382 -8.208 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.253 -9.685 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.635 -10.989 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.927 -11.221 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.580 -10.960 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.179 -9.697 2.990 1.00 0.00 H new ATOM 770 N ARG A 900 -26.152 -10.736 -5.018 1.00 0.00 N ATOM 771 CA ARG A 900 -26.144 -11.715 -6.125 1.00 0.00 C ATOM 772 C ARG A 900 -24.748 -12.002 -6.702 1.00 0.00 C ATOM 773 O ARG A 900 -24.545 -13.057 -7.299 1.00 0.00 O ATOM 774 CB ARG A 900 -27.061 -11.192 -7.246 1.00 0.00 C ATOM 775 CG ARG A 900 -28.565 -11.246 -6.930 1.00 0.00 C ATOM 776 CD ARG A 900 -29.102 -12.680 -6.803 1.00 0.00 C ATOM 777 NE ARG A 900 -30.571 -12.695 -6.651 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.267 -12.599 -5.530 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.699 -12.469 -4.364 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.568 -12.629 -5.562 1.00 0.00 N ATOM 0 H ARG A 900 -26.641 -9.876 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.500 -12.660 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.788 -10.160 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.873 -11.772 -8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.755 -10.710 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -29.114 -10.727 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.820 -13.255 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.641 -13.168 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 900 -31.112 -12.791 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.682 -12.438 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.272 -12.398 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -33.054 -12.727 -6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.101 -12.555 -4.696 1.00 0.00 H new ATOM 794 N PHE A 901 -23.795 -11.084 -6.516 1.00 0.00 N ATOM 795 CA PHE A 901 -22.422 -11.150 -7.048 1.00 0.00 C ATOM 796 C PHE A 901 -21.325 -10.906 -5.989 1.00 0.00 C ATOM 797 O PHE A 901 -20.154 -10.727 -6.318 1.00 0.00 O ATOM 798 CB PHE A 901 -22.278 -10.190 -8.248 1.00 0.00 C ATOM 799 CG PHE A 901 -23.335 -10.289 -9.338 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.066 -10.976 -10.538 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.570 -9.629 -9.189 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.035 -11.046 -11.555 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.543 -9.702 -10.201 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.280 -10.418 -11.382 1.00 0.00 C ATOM 0 H PHE A 901 -23.961 -10.239 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.263 -12.175 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.277 -9.169 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.303 -10.361 -8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -22.107 -11.453 -10.678 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.771 -9.063 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.822 -11.582 -12.468 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.494 -9.207 -10.071 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.032 -10.485 -12.154 1.00 0.00 H new ATOM 814 N ALA A 902 -21.697 -10.888 -4.708 1.00 0.00 N ATOM 815 CA ALA A 902 -20.870 -10.485 -3.570 1.00 0.00 C ATOM 816 C ALA A 902 -20.054 -11.630 -2.941 1.00 0.00 C ATOM 817 O ALA A 902 -19.923 -11.737 -1.721 1.00 0.00 O ATOM 818 CB ALA A 902 -21.745 -9.728 -2.556 1.00 0.00 C ATOM 0 H ALA A 902 -22.635 -11.170 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.097 -9.811 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.136 -9.424 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.171 -8.844 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.549 -10.378 -2.213 1.00 0.00 H new ATOM 824 N ASP A 903 -19.485 -12.483 -3.790 1.00 0.00 N ATOM 825 CA ASP A 903 -18.544 -13.539 -3.416 1.00 0.00 C ATOM 826 C ASP A 903 -17.451 -13.699 -4.475 1.00 0.00 C ATOM 827 O ASP A 903 -17.698 -13.594 -5.681 1.00 0.00 O ATOM 828 CB ASP A 903 -19.264 -14.878 -3.207 1.00 0.00 C ATOM 829 CG ASP A 903 -20.272 -14.894 -2.043 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.838 -15.061 -0.878 1.00 0.00 O ATOM 831 OD2 ASP A 903 -21.500 -14.829 -2.295 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.672 -12.458 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 903 -18.082 -13.243 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.788 -15.140 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.517 -15.653 -3.033 1.00 0.00 H new ATOM 836 N CYS A 904 -16.246 -14.053 -4.033 1.00 0.00 N ATOM 837 CA CYS A 904 -15.145 -14.423 -4.909 1.00 0.00 C ATOM 838 C CYS A 904 -15.499 -15.647 -5.804 1.00 0.00 C ATOM 839 O CYS A 904 -14.916 -15.828 -6.875 1.00 0.00 O ATOM 840 CB CYS A 904 -13.911 -14.589 -4.006 1.00 0.00 C ATOM 841 SG CYS A 904 -13.423 -12.959 -3.313 1.00 0.00 S ATOM 0 H CYS A 904 -16.007 -14.090 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.926 -13.653 -5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -14.131 -15.287 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -13.085 -15.013 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.381 -13.106 -2.549 1.00 0.00 H new ATOM 846 N SER A 905 -16.491 -16.448 -5.388 1.00 0.00 N ATOM 847 CA SER A 905 -17.022 -17.603 -6.127 1.00 0.00 C ATOM 848 C SER A 905 -18.127 -17.244 -7.136 1.00 0.00 C ATOM 849 O SER A 905 -18.430 -18.047 -8.023 1.00 0.00 O ATOM 850 CB SER A 905 -17.593 -18.634 -5.144 1.00 0.00 C ATOM 851 OG SER A 905 -16.630 -19.022 -4.174 1.00 0.00 O ATOM 0 H SER A 905 -16.963 -16.304 -4.495 1.00 0.00 H new ATOM 0 HA SER A 905 -16.179 -18.004 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.466 -18.215 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.931 -19.513 -5.693 1.00 0.00 H new ATOM 0 HG SER A 905 -17.027 -19.678 -3.563 1.00 0.00 H new ATOM 857 N LYS A 906 -18.758 -16.066 -7.001 1.00 0.00 N ATOM 858 CA LYS A 906 -19.835 -15.584 -7.887 1.00 0.00 C ATOM 859 C LYS A 906 -19.323 -15.066 -9.238 1.00 0.00 C ATOM 860 O LYS A 906 -18.118 -14.960 -9.472 1.00 0.00 O ATOM 861 CB LYS A 906 -20.649 -14.497 -7.163 1.00 0.00 C ATOM 862 CG LYS A 906 -21.773 -14.982 -6.233 1.00 0.00 C ATOM 863 CD LYS A 906 -22.908 -15.779 -6.904 1.00 0.00 C ATOM 864 CE LYS A 906 -22.708 -17.300 -6.797 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.847 -18.044 -7.400 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.530 -15.406 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.472 -16.439 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.960 -13.890 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.089 -13.843 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.331 -15.603 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.209 -14.114 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.858 -15.508 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.972 -15.498 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.782 -17.582 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.602 -17.581 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.680 -19.067 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.727 -17.792 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.932 -17.794 -8.406 1.00 0.00 H new ATOM 879 N SER A 907 -20.266 -14.722 -10.116 1.00 0.00 N ATOM 880 CA SER A 907 -20.017 -14.230 -11.476 1.00 0.00 C ATOM 881 C SER A 907 -19.908 -12.690 -11.533 1.00 0.00 C ATOM 882 O SER A 907 -19.641 -12.036 -10.522 1.00 0.00 O ATOM 883 CB SER A 907 -21.099 -14.818 -12.398 1.00 0.00 C ATOM 884 OG SER A 907 -20.769 -14.645 -13.766 1.00 0.00 O ATOM 0 H SER A 907 -21.260 -14.779 -9.894 1.00 0.00 H new ATOM 0 HA SER A 907 -19.043 -14.569 -11.829 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.222 -15.880 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.055 -14.338 -12.190 1.00 0.00 H new ATOM 0 HG SER A 907 -19.800 -14.530 -13.857 1.00 0.00 H new ATOM 890 N GLN A 908 -20.117 -12.104 -12.712 1.00 0.00 N ATOM 891 CA GLN A 908 -20.139 -10.665 -13.014 1.00 0.00 C ATOM 892 C GLN A 908 -21.074 -10.381 -14.211 1.00 0.00 C ATOM 893 O GLN A 908 -21.487 -11.310 -14.909 1.00 0.00 O ATOM 894 CB GLN A 908 -18.700 -10.186 -13.266 1.00 0.00 C ATOM 895 CG GLN A 908 -18.126 -10.726 -14.581 1.00 0.00 C ATOM 896 CD GLN A 908 -16.603 -10.818 -14.577 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.022 -11.846 -14.262 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.901 -9.769 -14.950 1.00 0.00 N ATOM 0 H GLN A 908 -20.289 -12.663 -13.548 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.538 -10.107 -12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.681 -9.096 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.065 -10.502 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.543 -11.714 -14.774 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.443 -10.081 -15.401 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.375 -8.906 -15.215 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.883 -9.819 -14.974 1.00 0.00 H new ATOM 907 N GLU A 909 -21.404 -9.111 -14.485 1.00 0.00 N ATOM 908 CA GLU A 909 -22.272 -8.762 -15.631 1.00 0.00 C ATOM 909 C GLU A 909 -21.626 -9.099 -16.993 1.00 0.00 C ATOM 910 O GLU A 909 -22.323 -9.536 -17.911 1.00 0.00 O ATOM 911 CB GLU A 909 -22.626 -7.265 -15.640 1.00 0.00 C ATOM 912 CG GLU A 909 -23.126 -6.643 -14.328 1.00 0.00 C ATOM 913 CD GLU A 909 -24.384 -7.306 -13.730 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.263 -7.793 -14.481 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.494 -7.308 -12.480 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.089 -8.311 -13.937 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.171 -9.364 -15.500 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.741 -6.713 -15.957 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.391 -7.106 -16.400 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.324 -6.691 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.337 -5.588 -14.501 1.00 0.00 H new ATOM 922 N MET A 910 -20.302 -8.914 -17.117 1.00 0.00 N ATOM 923 CA MET A 910 -19.499 -9.199 -18.324 1.00 0.00 C ATOM 924 C MET A 910 -18.071 -9.585 -17.936 1.00 0.00 C ATOM 925 O MET A 910 -17.429 -8.864 -17.168 1.00 0.00 O ATOM 926 CB MET A 910 -19.403 -7.982 -19.263 1.00 0.00 C ATOM 927 CG MET A 910 -20.689 -7.632 -20.015 1.00 0.00 C ATOM 928 SD MET A 910 -21.177 -8.856 -21.266 1.00 0.00 S ATOM 929 CE MET A 910 -22.705 -8.079 -21.857 1.00 0.00 C ATOM 0 H MET A 910 -19.737 -8.548 -16.351 1.00 0.00 H new ATOM 0 HA MET A 910 -20.005 -10.016 -18.839 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.097 -7.115 -18.677 1.00 0.00 H new ATOM 0 HB3 MET A 910 -18.615 -8.168 -19.992 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.500 -7.523 -19.294 1.00 0.00 H new ATOM 0 HG3 MET A 910 -20.561 -6.664 -20.500 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.149 -8.697 -22.638 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.407 -7.980 -21.029 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.479 -7.092 -22.260 1.00 0.00 H new ATOM 939 N SER A 911 -17.568 -10.700 -18.472 1.00 0.00 N ATOM 940 CA SER A 911 -16.207 -11.204 -18.212 1.00 0.00 C ATOM 941 C SER A 911 -15.127 -10.225 -18.648 1.00 0.00 C ATOM 942 O SER A 911 -15.367 -9.323 -19.446 1.00 0.00 O ATOM 943 CB SER A 911 -15.965 -12.571 -18.858 1.00 0.00 C ATOM 944 OG SER A 911 -16.528 -12.647 -20.159 1.00 0.00 O ATOM 0 H SER A 911 -18.100 -11.292 -19.110 1.00 0.00 H new ATOM 0 HA SER A 911 -16.140 -11.317 -17.130 1.00 0.00 H new ATOM 0 HB2 SER A 911 -14.893 -12.762 -18.914 1.00 0.00 H new ATOM 0 HB3 SER A 911 -16.395 -13.351 -18.230 1.00 0.00 H new ATOM 0 HG SER A 911 -16.352 -13.533 -20.540 1.00 0.00 H new ATOM 950 N ASN A 912 -13.922 -10.396 -18.105 1.00 0.00 N ATOM 951 CA ASN A 912 -12.867 -9.369 -18.171 1.00 0.00 C ATOM 952 C ASN A 912 -12.417 -9.016 -19.612 1.00 0.00 C ATOM 953 O ASN A 912 -11.943 -7.906 -19.841 1.00 0.00 O ATOM 954 CB ASN A 912 -11.682 -9.768 -17.265 1.00 0.00 C ATOM 955 CG ASN A 912 -11.980 -9.636 -15.776 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.097 -9.790 -15.304 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.997 -9.261 -15.000 1.00 0.00 N ATOM 0 H ASN A 912 -13.645 -11.243 -17.609 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.302 -8.444 -17.792 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.402 -10.799 -17.481 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -10.822 -9.146 -17.511 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.165 -9.099 -14.007 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.063 -9.131 -15.388 1.00 0.00 H new ATOM 964 N GLU A 913 -12.616 -9.926 -20.574 1.00 0.00 N ATOM 965 CA GLU A 913 -12.387 -9.743 -22.024 1.00 0.00 C ATOM 966 C GLU A 913 -13.602 -9.145 -22.789 1.00 0.00 C ATOM 967 O GLU A 913 -13.524 -8.847 -23.982 1.00 0.00 O ATOM 968 CB GLU A 913 -11.963 -11.122 -22.575 1.00 0.00 C ATOM 969 CG GLU A 913 -11.589 -11.169 -24.067 1.00 0.00 C ATOM 970 CD GLU A 913 -10.837 -12.461 -24.471 1.00 0.00 C ATOM 971 OE1 GLU A 913 -10.024 -12.414 -25.429 1.00 0.00 O ATOM 972 OE2 GLU A 913 -11.080 -13.548 -23.887 1.00 0.00 O1- ATOM 0 H GLU A 913 -12.959 -10.862 -20.356 1.00 0.00 H new ATOM 0 HA GLU A 913 -11.607 -8.998 -22.179 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.110 -11.475 -21.996 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.778 -11.825 -22.403 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -12.497 -11.084 -24.665 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -10.968 -10.306 -24.306 1.00 0.00 H new ATOM 979 N GLU A 914 -14.742 -8.963 -22.115 1.00 0.00 N ATOM 980 CA GLU A 914 -15.998 -8.409 -22.648 1.00 0.00 C ATOM 981 C GLU A 914 -16.367 -7.044 -22.034 1.00 0.00 C ATOM 982 O GLU A 914 -16.911 -6.195 -22.743 1.00 0.00 O ATOM 983 CB GLU A 914 -17.146 -9.412 -22.427 1.00 0.00 C ATOM 984 CG GLU A 914 -16.965 -10.767 -23.136 1.00 0.00 C ATOM 985 CD GLU A 914 -16.862 -10.681 -24.678 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.499 -9.799 -25.306 1.00 0.00 O ATOM 987 OE2 GLU A 914 -16.181 -11.543 -25.287 1.00 0.00 O1- ATOM 0 H GLU A 914 -14.821 -9.211 -21.129 1.00 0.00 H new ATOM 0 HA GLU A 914 -15.843 -8.242 -23.714 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.254 -9.589 -21.357 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.076 -8.959 -22.770 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -16.064 -11.246 -22.751 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.804 -11.412 -22.877 1.00 0.00 H new ATOM 994 N ILE A 915 -16.043 -6.780 -20.756 1.00 0.00 N ATOM 995 CA ILE A 915 -16.135 -5.426 -20.176 1.00 0.00 C ATOM 996 C ILE A 915 -15.155 -4.469 -20.872 1.00 0.00 C ATOM 997 O ILE A 915 -15.580 -3.469 -21.434 1.00 0.00 O ATOM 998 CB ILE A 915 -16.027 -5.412 -18.623 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.737 -4.017 -18.036 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -14.974 -6.353 -18.025 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.779 -2.983 -18.438 1.00 0.00 C ATOM 0 H ILE A 915 -15.713 -7.489 -20.101 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.140 -5.053 -20.374 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.021 -5.761 -18.343 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.699 -4.085 -16.949 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.754 -3.684 -18.369 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -14.982 -6.265 -16.939 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.202 -7.381 -18.307 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -13.988 -6.083 -18.403 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.525 -2.019 -17.996 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.800 -2.890 -19.524 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.760 -3.298 -18.082 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.855 -4.764 -20.891 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.824 -3.891 -21.486 1.00 0.00 C ATOM 1015 C ASN A 916 -13.112 -3.468 -22.948 1.00 0.00 C ATOM 1016 O ASN A 916 -12.755 -2.362 -23.350 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.432 -4.547 -21.347 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.231 -5.855 -22.105 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.134 -6.436 -22.684 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.020 -6.355 -22.115 1.00 0.00 N ATOM 0 H ASN A 916 -13.477 -5.623 -20.491 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.845 -2.959 -20.921 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.681 -3.834 -21.687 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.242 -4.730 -20.289 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.833 -7.229 -22.607 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.264 -5.870 -21.631 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.820 -4.300 -23.712 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.354 -4.011 -25.049 1.00 0.00 C ATOM 1029 C GLU A 917 -15.448 -2.924 -25.078 1.00 0.00 C ATOM 1030 O GLU A 917 -15.533 -2.165 -26.045 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.926 -5.312 -25.624 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.897 -6.129 -26.420 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.441 -5.429 -27.720 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.297 -5.083 -28.571 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.216 -5.237 -27.915 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.050 -5.244 -23.401 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.528 -3.619 -25.643 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.312 -5.923 -24.808 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.770 -5.075 -26.271 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.027 -6.317 -25.791 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.326 -7.100 -26.669 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.275 -2.817 -24.033 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.323 -1.788 -23.906 1.00 0.00 C ATOM 1044 C GLU A 918 -16.738 -0.373 -23.786 1.00 0.00 C ATOM 1045 O GLU A 918 -17.315 0.589 -24.302 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.227 -2.084 -22.691 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.563 -1.321 -22.765 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.714 -2.074 -22.063 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.788 -2.238 -22.696 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.559 -2.513 -20.899 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.238 -3.452 -23.236 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.916 -1.825 -24.820 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.424 -3.155 -22.638 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.704 -1.810 -21.775 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.443 -0.339 -22.307 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.826 -1.155 -23.810 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.576 -0.245 -23.130 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.815 1.005 -23.058 1.00 0.00 C ATOM 1059 C LEU A 919 -13.866 1.182 -24.258 1.00 0.00 C ATOM 1060 O LEU A 919 -13.684 2.295 -24.754 1.00 0.00 O ATOM 1061 CB LEU A 919 -14.004 1.050 -21.755 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.838 0.880 -20.471 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.701 -0.532 -19.917 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.356 1.864 -19.428 1.00 0.00 C ATOM 0 H LEU A 919 -15.135 -1.017 -22.630 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.536 1.822 -23.081 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.247 0.266 -21.787 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.475 2.002 -21.705 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.885 1.063 -20.713 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.299 -0.627 -19.011 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -15.051 -1.250 -20.659 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.655 -0.732 -19.684 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.944 1.747 -18.518 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.305 1.675 -19.208 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.471 2.880 -19.806 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.256 0.081 -24.708 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.240 0.037 -25.767 1.00 0.00 C ATOM 1078 C GLY A 920 -10.811 0.197 -25.230 1.00 0.00 C ATOM 1079 O GLY A 920 -10.031 0.980 -25.775 1.00 0.00 O ATOM 0 H GLY A 920 -13.465 -0.843 -24.329 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.319 -0.911 -26.300 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.442 0.827 -26.490 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.488 -0.499 -24.131 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.254 -0.326 -23.340 1.00 0.00 C ATOM 1085 C ILE A 921 -8.390 -1.599 -23.261 1.00 0.00 C ATOM 1086 O ILE A 921 -8.843 -2.711 -23.535 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.576 0.234 -21.935 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.406 -0.769 -21.104 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -10.237 1.621 -22.050 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.625 -0.326 -19.656 1.00 0.00 C ATOM 0 H ILE A 921 -11.098 -1.224 -23.752 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.646 0.405 -23.873 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.643 0.371 -21.387 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.375 -0.912 -21.583 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.903 -1.736 -21.108 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.458 2.003 -21.053 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.559 2.306 -22.559 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -11.163 1.537 -22.620 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.215 -1.077 -19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.661 -0.211 -19.161 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.155 0.626 -19.643 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.543 3.550 -16.187 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.934 4.026 -16.273 1.00 0.00 C ATOM 1264 C GLN B 5 -16.472 3.881 -17.704 1.00 0.00 C ATOM 1265 O GLN B 5 -15.971 4.506 -18.638 1.00 0.00 O ATOM 1266 CB GLN B 5 -16.027 5.473 -15.753 1.00 0.00 C ATOM 1267 CG GLN B 5 -17.452 6.065 -15.743 1.00 0.00 C ATOM 1268 CD GLN B 5 -17.719 7.093 -16.849 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -17.611 6.833 -18.038 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -18.101 8.308 -16.522 1.00 0.00 N ATOM 0 HA GLN B 5 -16.567 3.407 -15.637 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.627 5.507 -14.739 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.389 6.107 -16.368 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -18.171 5.251 -15.839 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -17.630 6.535 -14.776 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.203 8.564 -15.540 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.296 8.995 -17.251 1.00 0.00 H new ATOM 1279 N THR B 6 -17.479 3.022 -17.873 1.00 0.00 N ATOM 1280 CA THR B 6 -18.194 2.805 -19.144 1.00 0.00 C ATOM 1281 C THR B 6 -19.076 3.999 -19.520 1.00 0.00 C ATOM 1282 O THR B 6 -19.929 4.432 -18.743 1.00 0.00 O ATOM 1283 CB THR B 6 -19.065 1.534 -19.097 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.639 1.345 -17.819 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.266 0.274 -19.403 1.00 0.00 C ATOM 0 H THR B 6 -17.833 2.440 -17.114 1.00 0.00 H new ATOM 0 HA THR B 6 -17.423 2.685 -19.905 1.00 0.00 H new ATOM 0 HB THR B 6 -19.834 1.688 -19.854 1.00 0.00 H new ATOM 0 HG1 THR B 6 -20.307 0.630 -17.863 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.924 -0.594 -19.358 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.834 0.350 -20.401 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.467 0.163 -18.670 1.00 0.00 H new