USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 834 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 97 MET CE :methyl -177:sc= -1.57 (180deg=-1.61) USER MOD Set 1.2: A 105 THR OG1 : rot 70:sc= 1.32 USER MOD Set 2.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 87 CYS SG : rot -150:sc= -0.6 USER MOD Single : A 21 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=-0.0067) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.26) USER MOD Single : A 25 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.8) USER MOD Single : A 27 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.64) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 32 SER OG : rot 81:sc= -0.514 USER MOD Single : A 36 MET CE :methyl -119:sc= 0 (180deg=-1.83) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.164 USER MOD Single : A 51 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.4) USER MOD Single : A 53 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.1) USER MOD Single : A 56 HIS : no HE2:sc= 0.162 K(o=0.16,f=-1.1) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.4 USER MOD Single : A 76 GLN : amide:sc= 1.21 K(o=1.2,f=-0.93) USER MOD Single : A 77 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 89 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 99 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.2!) USER MOD Single : A 106 TYR OH : rot 43:sc= 0.151 USER MOD Single : A 107 ASN : amide:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 111 SER OG : rot 98:sc= 1.24 USER MOD Single : A 120 MET CE :methyl 170:sc= -1.74 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 7.157 12.494 -2.903 1.00 0.00 N ATOM 229 CA ARG A 15 8.228 13.447 -2.621 1.00 0.00 C ATOM 230 C ARG A 15 9.214 12.826 -1.647 1.00 0.00 C ATOM 231 O ARG A 15 10.405 12.707 -1.931 1.00 0.00 O ATOM 232 CB ARG A 15 7.678 14.742 -2.016 1.00 0.00 C ATOM 233 CG ARG A 15 6.862 15.593 -2.972 1.00 0.00 C ATOM 234 CD ARG A 15 7.729 16.260 -4.031 1.00 0.00 C ATOM 235 NE ARG A 15 6.976 17.271 -4.772 1.00 0.00 N ATOM 236 CZ ARG A 15 7.349 17.799 -5.938 1.00 0.00 C ATOM 237 NH1 ARG A 15 8.524 17.493 -6.476 1.00 0.00 N ATOM 238 NH2 ARG A 15 6.555 18.673 -6.545 1.00 0.00 N ATOM 0 HA ARG A 15 8.722 13.688 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.058 14.490 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.513 15.336 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.111 14.971 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.327 16.357 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.595 16.723 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.108 15.507 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 15 6.099 17.597 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.152 16.848 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.799 17.903 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.666 18.936 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.834 19.081 -7.437 1.00 0.00 H new ATOM 252 N ALA A 16 8.691 12.433 -0.497 1.00 0.00 N ATOM 253 CA ALA A 16 9.483 11.812 0.547 1.00 0.00 C ATOM 254 C ALA A 16 8.564 11.115 1.538 1.00 0.00 C ATOM 255 O ALA A 16 7.359 11.378 1.568 1.00 0.00 O ATOM 256 CB ALA A 16 10.346 12.848 1.259 1.00 0.00 C ATOM 0 H ALA A 16 7.704 12.537 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 16 10.146 11.075 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.932 12.360 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.018 13.318 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.706 13.608 1.708 1.00 0.00 H new ATOM 262 N ALA A 17 9.132 10.220 2.328 1.00 0.00 N ATOM 263 CA ALA A 17 8.380 9.534 3.361 1.00 0.00 C ATOM 264 C ALA A 17 9.140 9.600 4.675 1.00 0.00 C ATOM 265 O ALA A 17 10.179 8.962 4.840 1.00 0.00 O ATOM 266 CB ALA A 17 8.117 8.089 2.962 1.00 0.00 C ATOM 0 H ALA A 17 10.115 9.952 2.272 1.00 0.00 H new ATOM 0 HA ALA A 17 7.416 10.027 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.552 7.591 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.545 8.066 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.066 7.574 2.815 1.00 0.00 H new ATOM 272 N ASP A 18 8.621 10.394 5.596 1.00 0.00 N ATOM 273 CA ASP A 18 9.272 10.588 6.881 1.00 0.00 C ATOM 274 C ASP A 18 8.663 9.660 7.914 1.00 0.00 C ATOM 275 O ASP A 18 7.648 9.004 7.654 1.00 0.00 O ATOM 276 CB ASP A 18 9.114 12.035 7.365 1.00 0.00 C ATOM 277 CG ASP A 18 9.561 13.065 6.349 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.779 13.269 6.190 1.00 0.00 O ATOM 279 OD2 ASP A 18 8.686 13.689 5.713 1.00 0.00 O ATOM 0 H ASP A 18 7.752 10.914 5.478 1.00 0.00 H new ATOM 0 HA ASP A 18 10.332 10.368 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.068 12.214 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.689 12.168 8.282 1.00 0.00 H new ATOM 284 N GLY A 19 9.278 9.605 9.080 1.00 0.00 N ATOM 285 CA GLY A 19 8.684 8.888 10.179 1.00 0.00 C ATOM 286 C GLY A 19 7.371 9.521 10.581 1.00 0.00 C ATOM 287 O GLY A 19 7.350 10.665 11.036 1.00 0.00 O ATOM 0 H GLY A 19 10.176 10.043 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.521 7.848 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.367 8.884 11.029 1.00 0.00 H new ATOM 291 N ARG A 20 6.275 8.790 10.365 1.00 0.00 N ATOM 292 CA ARG A 20 4.927 9.258 10.710 1.00 0.00 C ATOM 293 C ARG A 20 4.461 10.360 9.753 1.00 0.00 C ATOM 294 O ARG A 20 3.534 11.101 10.063 1.00 0.00 O ATOM 295 CB ARG A 20 4.882 9.768 12.160 1.00 0.00 C ATOM 296 CG ARG A 20 5.359 8.751 13.186 1.00 0.00 C ATOM 297 CD ARG A 20 5.620 9.391 14.545 1.00 0.00 C ATOM 298 NE ARG A 20 4.412 9.966 15.135 1.00 0.00 N ATOM 299 CZ ARG A 20 3.473 9.253 15.754 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.605 7.941 15.884 1.00 0.00 N ATOM 301 NH2 ARG A 20 2.419 9.862 16.274 1.00 0.00 N ATOM 0 H ARG A 20 6.295 7.860 9.947 1.00 0.00 H new ATOM 0 HA ARG A 20 4.249 8.410 10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.497 10.665 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.860 10.060 12.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.611 7.965 13.293 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.272 8.275 12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.030 8.642 15.223 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.374 10.171 14.437 1.00 0.00 H new ATOM 0 HE ARG A 20 4.280 10.975 15.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.429 7.472 15.509 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.882 7.400 16.359 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.327 10.875 16.200 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.698 9.318 16.749 1.00 0.00 H new ATOM 315 N HIS A 21 5.100 10.469 8.586 1.00 0.00 N ATOM 316 CA HIS A 21 4.730 11.491 7.602 1.00 0.00 C ATOM 317 C HIS A 21 4.872 10.970 6.176 1.00 0.00 C ATOM 318 O HIS A 21 5.697 10.100 5.904 1.00 0.00 O ATOM 319 CB HIS A 21 5.591 12.751 7.759 1.00 0.00 C ATOM 320 CG HIS A 21 5.298 13.552 8.989 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.266 13.919 9.897 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.139 14.078 9.449 1.00 0.00 C ATOM 323 CE1 HIS A 21 5.715 14.632 10.862 1.00 0.00 C ATOM 324 NE2 HIS A 21 4.424 14.742 10.615 1.00 0.00 N ATOM 0 H HIS A 21 5.872 9.867 8.300 1.00 0.00 H new ATOM 0 HA HIS A 21 3.686 11.741 7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.641 12.459 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.447 13.386 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.168 13.991 8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.234 15.054 11.710 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.749 15.239 11.196 1.00 0.00 H new ATOM 333 N ALA A 22 4.057 11.501 5.274 1.00 0.00 N ATOM 334 CA ALA A 22 4.167 11.195 3.852 1.00 0.00 C ATOM 335 C ALA A 22 3.818 12.429 3.031 1.00 0.00 C ATOM 336 O ALA A 22 2.847 13.123 3.328 1.00 0.00 O ATOM 337 CB ALA A 22 3.265 10.030 3.476 1.00 0.00 C ATOM 0 H ALA A 22 3.306 12.152 5.504 1.00 0.00 H new ATOM 0 HA ALA A 22 5.195 10.904 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.365 9.821 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.553 9.148 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.229 10.285 3.700 1.00 0.00 H new ATOM 343 N LYS A 23 4.611 12.705 2.010 1.00 0.00 N ATOM 344 CA LYS A 23 4.445 13.923 1.231 1.00 0.00 C ATOM 345 C LYS A 23 4.244 13.617 -0.248 1.00 0.00 C ATOM 346 O LYS A 23 5.143 13.101 -0.918 1.00 0.00 O ATOM 347 CB LYS A 23 5.664 14.825 1.434 1.00 0.00 C ATOM 348 CG LYS A 23 5.759 15.378 2.845 1.00 0.00 C ATOM 349 CD LYS A 23 7.190 15.707 3.233 1.00 0.00 C ATOM 350 CE LYS A 23 7.250 16.320 4.622 1.00 0.00 C ATOM 351 NZ LYS A 23 8.625 16.291 5.188 1.00 0.00 N ATOM 0 H LYS A 23 5.375 12.104 1.700 1.00 0.00 H new ATOM 0 HA LYS A 23 3.550 14.438 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.569 14.261 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.619 15.653 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.146 16.276 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.351 14.651 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.796 14.801 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.617 16.399 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.898 17.351 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.574 15.780 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.677 16.931 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.855 15.323 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.305 16.598 4.464 1.00 0.00 H new ATOM 365 N VAL A 24 3.057 13.930 -0.751 1.00 0.00 N ATOM 366 CA VAL A 24 2.744 13.725 -2.158 1.00 0.00 C ATOM 367 C VAL A 24 2.564 15.069 -2.855 1.00 0.00 C ATOM 368 O VAL A 24 1.621 15.801 -2.562 1.00 0.00 O ATOM 369 CB VAL A 24 1.467 12.881 -2.348 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.267 12.544 -3.819 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.522 11.613 -1.511 1.00 0.00 C ATOM 0 H VAL A 24 2.294 14.328 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 24 3.580 13.182 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 24 0.616 13.471 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.362 11.948 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.172 13.465 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.124 11.977 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.610 11.036 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.383 11.016 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.613 11.876 -0.457 1.00 0.00 H new ATOM 381 N ASN A 25 3.483 15.375 -3.772 1.00 0.00 N ATOM 382 CA ASN A 25 3.514 16.663 -4.475 1.00 0.00 C ATOM 383 C ASN A 25 3.786 17.802 -3.492 1.00 0.00 C ATOM 384 O ASN A 25 4.928 18.222 -3.326 1.00 0.00 O ATOM 385 CB ASN A 25 2.216 16.915 -5.257 1.00 0.00 C ATOM 386 CG ASN A 25 2.288 18.175 -6.108 1.00 0.00 C ATOM 387 OD1 ASN A 25 3.363 18.566 -6.568 1.00 0.00 O ATOM 388 ND2 ASN A 25 1.147 18.815 -6.327 1.00 0.00 N ATOM 0 H ASN A 25 4.229 14.737 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 25 4.328 16.626 -5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.009 16.058 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.384 16.999 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.139 19.663 -6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.278 18.459 -5.929 1.00 0.00 H new ATOM 395 N GLU A 26 2.745 18.287 -2.844 1.00 0.00 N ATOM 396 CA GLU A 26 2.889 19.294 -1.801 1.00 0.00 C ATOM 397 C GLU A 26 1.917 19.019 -0.659 1.00 0.00 C ATOM 398 O GLU A 26 1.802 19.799 0.284 1.00 0.00 O ATOM 399 CB GLU A 26 2.676 20.702 -2.376 1.00 0.00 C ATOM 400 CG GLU A 26 1.627 20.780 -3.481 1.00 0.00 C ATOM 401 CD GLU A 26 0.269 20.259 -3.053 1.00 0.00 C ATOM 402 OE1 GLU A 26 -0.468 21.002 -2.373 1.00 0.00 O ATOM 403 OE2 GLU A 26 -0.062 19.105 -3.394 1.00 0.00 O ATOM 0 H GLU A 26 1.782 18.000 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 26 3.903 19.242 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.384 21.371 -1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.625 21.069 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.526 21.816 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.973 20.209 -4.343 1.00 0.00 H new ATOM 410 N GLN A 27 1.234 17.887 -0.746 1.00 0.00 N ATOM 411 CA GLN A 27 0.216 17.523 0.221 1.00 0.00 C ATOM 412 C GLN A 27 0.765 16.499 1.210 1.00 0.00 C ATOM 413 O GLN A 27 1.116 15.378 0.827 1.00 0.00 O ATOM 414 CB GLN A 27 -1.005 16.959 -0.513 1.00 0.00 C ATOM 415 CG GLN A 27 -2.167 16.588 0.395 1.00 0.00 C ATOM 416 CD GLN A 27 -3.340 16.002 -0.374 1.00 0.00 C ATOM 417 OE1 GLN A 27 -4.496 16.144 0.025 1.00 0.00 O ATOM 418 NE2 GLN A 27 -3.049 15.328 -1.477 1.00 0.00 N ATOM 0 H GLN A 27 1.371 17.199 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.082 18.410 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.348 17.695 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.701 16.075 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.827 15.867 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.498 17.474 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.078 15.232 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.796 14.905 -2.028 1.00 0.00 H new ATOM 427 N ILE A 28 0.863 16.897 2.470 1.00 0.00 N ATOM 428 CA ILE A 28 1.325 16.002 3.519 1.00 0.00 C ATOM 429 C ILE A 28 0.164 15.159 4.032 1.00 0.00 C ATOM 430 O ILE A 28 -0.636 15.609 4.854 1.00 0.00 O ATOM 431 CB ILE A 28 1.962 16.775 4.695 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.081 17.688 4.184 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.499 15.805 5.741 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.725 18.530 5.265 1.00 0.00 C ATOM 0 H ILE A 28 0.628 17.836 2.791 1.00 0.00 H new ATOM 0 HA ILE A 28 2.090 15.357 3.087 1.00 0.00 H new ATOM 0 HB ILE A 28 1.196 17.393 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.847 17.076 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.677 18.347 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.944 16.366 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.682 15.191 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.255 15.163 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.507 19.149 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.972 19.169 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.160 17.878 6.023 1.00 0.00 H new ATOM 446 N LEU A 29 0.069 13.941 3.527 1.00 0.00 N ATOM 447 CA LEU A 29 -1.016 13.049 3.885 1.00 0.00 C ATOM 448 C LEU A 29 -0.652 12.220 5.107 1.00 0.00 C ATOM 449 O LEU A 29 0.261 11.399 5.065 1.00 0.00 O ATOM 450 CB LEU A 29 -1.371 12.142 2.704 1.00 0.00 C ATOM 451 CG LEU A 29 -2.048 12.853 1.529 1.00 0.00 C ATOM 452 CD1 LEU A 29 -2.180 11.919 0.337 1.00 0.00 C ATOM 453 CD2 LEU A 29 -3.415 13.374 1.946 1.00 0.00 C ATOM 0 H LEU A 29 0.736 13.547 2.863 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.889 13.652 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.460 11.664 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.029 11.349 3.058 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.425 13.697 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.664 12.445 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.190 11.587 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.781 11.054 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.886 13.877 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.040 12.540 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.300 14.078 2.770 1.00 0.00 H new ATOM 465 N GLN A 30 -1.367 12.458 6.195 1.00 0.00 N ATOM 466 CA GLN A 30 -1.151 11.728 7.437 1.00 0.00 C ATOM 467 C GLN A 30 -2.249 10.688 7.634 1.00 0.00 C ATOM 468 O GLN A 30 -2.701 10.438 8.749 1.00 0.00 O ATOM 469 CB GLN A 30 -1.107 12.699 8.618 1.00 0.00 C ATOM 470 CG GLN A 30 0.076 13.652 8.567 1.00 0.00 C ATOM 471 CD GLN A 30 0.042 14.691 9.668 1.00 0.00 C ATOM 472 OE1 GLN A 30 0.570 14.478 10.759 1.00 0.00 O ATOM 473 NE2 GLN A 30 -0.570 15.828 9.385 1.00 0.00 N ATOM 0 H GLN A 30 -2.108 13.157 6.244 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.193 11.210 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.031 13.278 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.067 12.130 9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.001 13.080 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.090 14.155 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.995 15.964 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.617 16.569 10.084 1.00 0.00 H new ATOM 482 N GLN A 31 -2.673 10.096 6.525 1.00 0.00 N ATOM 483 CA GLN A 31 -3.669 9.033 6.535 1.00 0.00 C ATOM 484 C GLN A 31 -3.295 7.988 5.497 1.00 0.00 C ATOM 485 O GLN A 31 -2.220 8.064 4.900 1.00 0.00 O ATOM 486 CB GLN A 31 -5.070 9.579 6.235 1.00 0.00 C ATOM 487 CG GLN A 31 -5.620 10.490 7.319 1.00 0.00 C ATOM 488 CD GLN A 31 -7.051 10.914 7.057 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.487 11.026 5.908 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.794 11.152 8.127 1.00 0.00 N ATOM 0 H GLN A 31 -2.336 10.339 5.593 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.687 8.586 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.042 10.127 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.754 8.742 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.567 9.978 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.991 11.377 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.394 11.047 9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.766 11.440 8.019 1.00 0.00 H new ATOM 499 N SER A 32 -4.173 7.025 5.273 1.00 0.00 N ATOM 500 CA SER A 32 -3.924 5.996 4.279 1.00 0.00 C ATOM 501 C SER A 32 -4.329 6.475 2.891 1.00 0.00 C ATOM 502 O SER A 32 -5.436 6.985 2.694 1.00 0.00 O ATOM 503 CB SER A 32 -4.681 4.724 4.635 1.00 0.00 C ATOM 504 OG SER A 32 -4.394 4.321 5.960 1.00 0.00 O ATOM 0 H SER A 32 -5.062 6.935 5.765 1.00 0.00 H new ATOM 0 HA SER A 32 -2.855 5.782 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.753 4.891 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.410 3.928 3.941 1.00 0.00 H new ATOM 0 HG SER A 32 -4.940 4.841 6.586 1.00 0.00 H new ATOM 510 N PHE A 33 -3.425 6.326 1.939 1.00 0.00 N ATOM 511 CA PHE A 33 -3.703 6.678 0.557 1.00 0.00 C ATOM 512 C PHE A 33 -3.063 5.663 -0.379 1.00 0.00 C ATOM 513 O PHE A 33 -2.157 4.928 0.017 1.00 0.00 O ATOM 514 CB PHE A 33 -3.204 8.094 0.239 1.00 0.00 C ATOM 515 CG PHE A 33 -1.717 8.284 0.403 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.184 8.650 1.631 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.859 8.108 -0.670 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.178 8.833 1.781 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.503 8.290 -0.524 1.00 0.00 C ATOM 520 CZ PHE A 33 1.021 8.654 0.701 1.00 0.00 C ATOM 0 H PHE A 33 -2.486 5.961 2.099 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.783 6.663 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.478 8.340 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.722 8.802 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.839 8.793 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.259 7.825 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.583 9.116 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.161 8.147 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.085 8.799 0.816 1.00 0.00 H new ATOM 530 N ILE A 34 -3.538 5.624 -1.614 1.00 0.00 N ATOM 531 CA ILE A 34 -3.042 4.679 -2.600 1.00 0.00 C ATOM 532 C ILE A 34 -2.256 5.401 -3.688 1.00 0.00 C ATOM 533 O ILE A 34 -2.818 6.177 -4.465 1.00 0.00 O ATOM 534 CB ILE A 34 -4.201 3.897 -3.257 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.104 3.280 -2.185 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.652 2.815 -4.179 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.361 2.649 -2.742 1.00 0.00 C ATOM 0 H ILE A 34 -4.273 6.242 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.390 3.979 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.796 4.590 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.540 2.525 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.382 4.052 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.479 2.272 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.046 3.275 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.038 2.123 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.952 2.233 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.947 3.405 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.092 1.854 -3.437 1.00 0.00 H new ATOM 549 N LEU A 35 -0.959 5.159 -3.732 1.00 0.00 N ATOM 550 CA LEU A 35 -0.115 5.748 -4.759 1.00 0.00 C ATOM 551 C LEU A 35 0.265 4.700 -5.802 1.00 0.00 C ATOM 552 O LEU A 35 0.865 3.675 -5.478 1.00 0.00 O ATOM 553 CB LEU A 35 1.144 6.361 -4.141 1.00 0.00 C ATOM 554 CG LEU A 35 2.104 7.026 -5.131 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.423 8.183 -5.847 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.357 7.505 -4.419 1.00 0.00 C ATOM 0 H LEU A 35 -0.466 4.560 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.679 6.542 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.841 7.102 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.684 5.579 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 35 2.392 6.285 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.123 8.641 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.555 7.813 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.102 8.925 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.027 7.975 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.085 8.229 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.859 6.656 -3.956 1.00 0.00 H new ATOM 568 N MET A 36 -0.101 4.959 -7.042 1.00 0.00 N ATOM 569 CA MET A 36 0.233 4.061 -8.139 1.00 0.00 C ATOM 570 C MET A 36 1.043 4.809 -9.189 1.00 0.00 C ATOM 571 O MET A 36 0.965 6.038 -9.270 1.00 0.00 O ATOM 572 CB MET A 36 -1.041 3.490 -8.774 1.00 0.00 C ATOM 573 CG MET A 36 -1.813 2.543 -7.871 1.00 0.00 C ATOM 574 SD MET A 36 -3.302 1.902 -8.662 1.00 0.00 S ATOM 575 CE MET A 36 -3.906 0.798 -7.387 1.00 0.00 C ATOM 0 H MET A 36 -0.631 5.785 -7.319 1.00 0.00 H new ATOM 0 HA MET A 36 0.826 3.235 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.693 4.315 -9.059 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.773 2.964 -9.690 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.169 1.711 -7.586 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.087 3.063 -6.953 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.937 -0.221 -7.773 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.241 0.839 -6.525 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.908 1.103 -7.087 1.00 0.00 H new ATOM 585 N PRO A 37 1.835 4.086 -10.006 1.00 0.00 N ATOM 586 CA PRO A 37 2.591 4.673 -11.125 1.00 0.00 C ATOM 587 C PRO A 37 1.662 5.105 -12.260 1.00 0.00 C ATOM 588 O PRO A 37 1.919 4.842 -13.438 1.00 0.00 O ATOM 589 CB PRO A 37 3.506 3.527 -11.591 1.00 0.00 C ATOM 590 CG PRO A 37 3.431 2.490 -10.521 1.00 0.00 C ATOM 591 CD PRO A 37 2.078 2.643 -9.894 1.00 0.00 C ATOM 0 HA PRO A 37 3.138 5.568 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.174 3.126 -12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.530 3.875 -11.728 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.558 1.490 -10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.221 2.632 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.320 2.062 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.072 2.310 -8.856 1.00 0.00 H new ATOM 599 N ASP A 38 0.597 5.795 -11.886 1.00 0.00 N ATOM 600 CA ASP A 38 -0.470 6.154 -12.802 1.00 0.00 C ATOM 601 C ASP A 38 -1.219 7.374 -12.284 1.00 0.00 C ATOM 602 O ASP A 38 -1.420 8.350 -13.009 1.00 0.00 O ATOM 603 CB ASP A 38 -1.428 4.969 -12.960 1.00 0.00 C ATOM 604 CG ASP A 38 -2.676 5.318 -13.741 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.574 5.552 -14.962 1.00 0.00 O ATOM 606 OD2 ASP A 38 -3.773 5.322 -13.142 1.00 0.00 O ATOM 0 H ASP A 38 0.449 6.123 -10.932 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.042 6.400 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.908 4.153 -13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.714 4.606 -11.973 1.00 0.00 H new ATOM 611 N GLU A 39 -1.614 7.319 -11.015 1.00 0.00 N ATOM 612 CA GLU A 39 -2.361 8.400 -10.393 1.00 0.00 C ATOM 613 C GLU A 39 -2.395 8.225 -8.878 1.00 0.00 C ATOM 614 O GLU A 39 -2.037 7.163 -8.359 1.00 0.00 O ATOM 615 CB GLU A 39 -3.788 8.443 -10.948 1.00 0.00 C ATOM 616 CG GLU A 39 -4.152 9.772 -11.591 1.00 0.00 C ATOM 617 CD GLU A 39 -4.262 10.900 -10.587 1.00 0.00 C ATOM 618 OE1 GLU A 39 -3.224 11.341 -10.053 1.00 0.00 O ATOM 619 OE2 GLU A 39 -5.389 11.357 -10.334 1.00 0.00 O ATOM 0 H GLU A 39 -1.426 6.530 -10.396 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.862 9.341 -10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.906 7.648 -11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.489 8.236 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.399 10.028 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.100 9.667 -12.118 1.00 0.00 H new ATOM 626 N LEU A 40 -2.817 9.269 -8.179 1.00 0.00 N ATOM 627 CA LEU A 40 -2.940 9.231 -6.727 1.00 0.00 C ATOM 628 C LEU A 40 -4.398 9.053 -6.319 1.00 0.00 C ATOM 629 O LEU A 40 -5.270 9.802 -6.759 1.00 0.00 O ATOM 630 CB LEU A 40 -2.393 10.521 -6.107 1.00 0.00 C ATOM 631 CG LEU A 40 -2.538 10.620 -4.585 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.659 9.592 -3.893 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.205 12.024 -4.107 1.00 0.00 C ATOM 0 H LEU A 40 -3.082 10.161 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.359 8.384 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.337 10.610 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.904 11.370 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.575 10.408 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.777 9.680 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.952 8.591 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.616 9.767 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.314 12.075 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.178 12.268 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.884 12.738 -4.574 1.00 0.00 H new ATOM 645 N VAL A 41 -4.654 8.064 -5.475 1.00 0.00 N ATOM 646 CA VAL A 41 -5.994 7.817 -4.967 1.00 0.00 C ATOM 647 C VAL A 41 -6.020 7.977 -3.450 1.00 0.00 C ATOM 648 O VAL A 41 -5.469 7.154 -2.719 1.00 0.00 O ATOM 649 CB VAL A 41 -6.493 6.403 -5.338 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.909 6.174 -4.828 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.427 6.181 -6.844 1.00 0.00 C ATOM 0 H VAL A 41 -3.947 7.417 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.657 8.548 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.835 5.680 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.237 5.171 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.926 6.277 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.579 6.909 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.784 5.178 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.054 6.917 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.397 6.289 -7.183 1.00 0.00 H new ATOM 661 N GLU A 42 -6.640 9.046 -2.978 1.00 0.00 N ATOM 662 CA GLU A 42 -6.755 9.290 -1.547 1.00 0.00 C ATOM 663 C GLU A 42 -8.220 9.413 -1.138 1.00 0.00 C ATOM 664 O GLU A 42 -9.105 8.987 -1.880 1.00 0.00 O ATOM 665 CB GLU A 42 -5.940 10.525 -1.134 1.00 0.00 C ATOM 666 CG GLU A 42 -5.766 11.569 -2.229 1.00 0.00 C ATOM 667 CD GLU A 42 -7.048 12.285 -2.584 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.379 13.278 -1.906 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.720 11.871 -3.554 1.00 0.00 O ATOM 0 H GLU A 42 -7.072 9.760 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.337 8.435 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.425 10.994 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.954 10.199 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.026 12.302 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.369 11.086 -3.122 1.00 0.00 H new ATOM 676 N HIS A 43 -8.463 9.988 0.044 1.00 0.00 N ATOM 677 CA HIS A 43 -9.803 10.030 0.643 1.00 0.00 C ATOM 678 C HIS A 43 -10.262 8.626 0.991 1.00 0.00 C ATOM 679 O HIS A 43 -11.431 8.274 0.833 1.00 0.00 O ATOM 680 CB HIS A 43 -10.834 10.701 -0.275 1.00 0.00 C ATOM 681 CG HIS A 43 -10.657 12.178 -0.431 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.487 12.789 -1.652 1.00 0.00 N ATOM 683 CD2 HIS A 43 -10.647 13.173 0.487 1.00 0.00 C ATOM 684 CE1 HIS A 43 -10.379 14.091 -1.480 1.00 0.00 C ATOM 685 NE2 HIS A 43 -10.471 14.354 -0.191 1.00 0.00 N ATOM 0 H HIS A 43 -7.742 10.435 0.610 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.731 10.632 1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.783 10.236 -1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.832 10.507 0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.757 13.059 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.239 14.821 -2.264 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.420 15.281 0.232 1.00 0.00 H new ATOM 694 N TRP A 44 -9.329 7.840 1.489 1.00 0.00 N ATOM 695 CA TRP A 44 -9.604 6.466 1.867 1.00 0.00 C ATOM 696 C TRP A 44 -9.876 6.410 3.366 1.00 0.00 C ATOM 697 O TRP A 44 -9.040 6.834 4.167 1.00 0.00 O ATOM 698 CB TRP A 44 -8.417 5.572 1.484 1.00 0.00 C ATOM 699 CG TRP A 44 -8.740 4.106 1.444 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.864 3.523 0.928 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.912 3.033 1.909 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.791 2.157 1.063 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.603 1.833 1.661 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.655 2.972 2.518 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -8.079 0.588 1.999 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -6.136 1.736 2.854 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.848 0.558 2.593 1.00 0.00 C ATOM 0 H TRP A 44 -8.364 8.132 1.643 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.483 6.099 1.337 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.047 5.878 0.506 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.608 5.735 2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.689 4.058 0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.506 1.493 0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.099 3.875 2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.626 -0.322 1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.166 1.677 3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.416 -0.393 2.867 1.00 0.00 H new ATOM 718 N PRO A 45 -11.065 5.917 3.759 1.00 0.00 N ATOM 719 CA PRO A 45 -11.526 5.912 5.160 1.00 0.00 C ATOM 720 C PRO A 45 -10.764 4.929 6.053 1.00 0.00 C ATOM 721 O PRO A 45 -11.364 4.080 6.716 1.00 0.00 O ATOM 722 CB PRO A 45 -13.002 5.493 5.055 1.00 0.00 C ATOM 723 CG PRO A 45 -13.348 5.597 3.609 1.00 0.00 C ATOM 724 CD PRO A 45 -12.076 5.340 2.864 1.00 0.00 C ATOM 0 HA PRO A 45 -11.366 6.885 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.148 4.476 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.637 6.142 5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.114 4.870 3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.747 6.584 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.911 4.276 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.074 5.820 1.885 1.00 0.00 H new ATOM 732 N VAL A 46 -9.446 5.048 6.072 1.00 0.00 N ATOM 733 CA VAL A 46 -8.611 4.241 6.950 1.00 0.00 C ATOM 734 C VAL A 46 -7.568 5.124 7.637 1.00 0.00 C ATOM 735 O VAL A 46 -6.500 5.385 7.090 1.00 0.00 O ATOM 736 CB VAL A 46 -7.905 3.091 6.190 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.043 2.262 7.133 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.918 2.202 5.486 1.00 0.00 C ATOM 0 H VAL A 46 -8.927 5.701 5.485 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.265 3.790 7.697 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.258 3.541 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.559 1.461 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.284 2.899 7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.669 1.831 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.397 1.402 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.596 1.770 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.488 2.795 4.771 1.00 0.00 H new ATOM 748 N PRO A 47 -7.895 5.648 8.826 1.00 0.00 N ATOM 749 CA PRO A 47 -6.972 6.446 9.625 1.00 0.00 C ATOM 750 C PRO A 47 -6.068 5.580 10.500 1.00 0.00 C ATOM 751 O PRO A 47 -5.077 6.055 11.050 1.00 0.00 O ATOM 752 CB PRO A 47 -7.899 7.307 10.501 1.00 0.00 C ATOM 753 CG PRO A 47 -9.302 6.875 10.183 1.00 0.00 C ATOM 754 CD PRO A 47 -9.199 5.553 9.474 1.00 0.00 C ATOM 0 HA PRO A 47 -6.296 7.029 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.678 7.163 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.761 8.367 10.288 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.893 6.780 11.094 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.801 7.613 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.248 4.714 10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.003 5.416 8.751 1.00 0.00 H new ATOM 762 N SER A 48 -6.425 4.309 10.634 1.00 0.00 N ATOM 763 CA SER A 48 -5.673 3.378 11.467 1.00 0.00 C ATOM 764 C SER A 48 -5.912 1.947 10.998 1.00 0.00 C ATOM 765 O SER A 48 -6.902 1.673 10.314 1.00 0.00 O ATOM 766 CB SER A 48 -6.092 3.522 12.934 1.00 0.00 C ATOM 767 OG SER A 48 -5.955 4.861 13.381 1.00 0.00 O ATOM 0 H SER A 48 -7.236 3.897 10.173 1.00 0.00 H new ATOM 0 HA SER A 48 -4.611 3.609 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.127 3.201 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.482 2.865 13.555 1.00 0.00 H new ATOM 0 HG SER A 48 -6.231 4.922 14.319 1.00 0.00 H new ATOM 773 N LEU A 49 -5.023 1.036 11.387 1.00 0.00 N ATOM 774 CA LEU A 49 -5.120 -0.367 10.982 1.00 0.00 C ATOM 775 C LEU A 49 -6.392 -1.007 11.527 1.00 0.00 C ATOM 776 O LEU A 49 -6.948 -1.918 10.917 1.00 0.00 O ATOM 777 CB LEU A 49 -3.897 -1.165 11.462 1.00 0.00 C ATOM 778 CG LEU A 49 -2.627 -1.039 10.608 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.896 -1.479 9.179 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.080 0.381 10.638 1.00 0.00 C ATOM 0 H LEU A 49 -4.223 1.244 11.985 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.152 -0.390 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.659 -0.849 12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.173 -2.218 11.512 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.871 -1.697 11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.984 -1.382 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.222 -2.519 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.675 -0.852 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.181 0.438 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.830 1.068 10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.836 0.655 11.664 1.00 0.00 H new ATOM 792 N GLY A 50 -6.857 -0.506 12.667 1.00 0.00 N ATOM 793 CA GLY A 50 -8.057 -1.041 13.289 1.00 0.00 C ATOM 794 C GLY A 50 -9.311 -0.814 12.460 1.00 0.00 C ATOM 795 O GLY A 50 -10.340 -1.449 12.694 1.00 0.00 O ATOM 0 H GLY A 50 -6.422 0.265 13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.927 -2.110 13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.188 -0.580 14.268 1.00 0.00 H new ATOM 799 N GLN A 51 -9.231 0.091 11.491 1.00 0.00 N ATOM 800 CA GLN A 51 -10.372 0.385 10.633 1.00 0.00 C ATOM 801 C GLN A 51 -10.149 -0.191 9.239 1.00 0.00 C ATOM 802 O GLN A 51 -10.896 0.098 8.297 1.00 0.00 O ATOM 803 CB GLN A 51 -10.613 1.892 10.561 1.00 0.00 C ATOM 804 CG GLN A 51 -10.852 2.521 11.925 1.00 0.00 C ATOM 805 CD GLN A 51 -11.194 3.996 11.851 1.00 0.00 C ATOM 806 OE1 GLN A 51 -10.840 4.764 12.743 1.00 0.00 O ATOM 807 NE2 GLN A 51 -11.902 4.399 10.808 1.00 0.00 N ATOM 0 H GLN A 51 -8.392 0.631 11.281 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.259 -0.083 11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.753 2.370 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.474 2.087 9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.663 1.991 12.425 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.961 2.392 12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.176 3.730 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.173 5.379 10.724 1.00 0.00 H new ATOM 816 N LEU A 52 -9.114 -1.008 9.115 1.00 0.00 N ATOM 817 CA LEU A 52 -8.839 -1.701 7.872 1.00 0.00 C ATOM 818 C LEU A 52 -9.715 -2.941 7.785 1.00 0.00 C ATOM 819 O LEU A 52 -9.684 -3.799 8.666 1.00 0.00 O ATOM 820 CB LEU A 52 -7.358 -2.080 7.776 1.00 0.00 C ATOM 821 CG LEU A 52 -6.948 -2.785 6.479 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.199 -1.889 5.275 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.486 -3.200 6.539 1.00 0.00 C ATOM 0 H LEU A 52 -8.451 -1.206 9.864 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.067 -1.039 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.760 -1.175 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.110 -2.728 8.617 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.559 -3.681 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.901 -2.410 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.259 -1.642 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.617 -0.973 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.211 -3.699 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.862 -2.316 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.335 -3.882 7.376 1.00 0.00 H new ATOM 835 N GLN A 53 -10.511 -3.012 6.737 1.00 0.00 N ATOM 836 CA GLN A 53 -11.442 -4.109 6.546 1.00 0.00 C ATOM 837 C GLN A 53 -11.433 -4.538 5.090 1.00 0.00 C ATOM 838 O GLN A 53 -11.110 -3.732 4.214 1.00 0.00 O ATOM 839 CB GLN A 53 -12.855 -3.680 6.947 1.00 0.00 C ATOM 840 CG GLN A 53 -13.061 -3.528 8.444 1.00 0.00 C ATOM 841 CD GLN A 53 -14.401 -2.906 8.774 1.00 0.00 C ATOM 842 OE1 GLN A 53 -14.915 -2.082 8.018 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.986 -3.298 9.893 1.00 0.00 N ATOM 0 H GLN A 53 -10.532 -2.313 5.994 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.136 -4.946 7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.085 -2.731 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.566 -4.413 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.988 -4.506 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.264 -2.911 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.529 -3.983 10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.894 -2.915 10.155 1.00 0.00 H new ATOM 852 N PRO A 54 -11.795 -5.801 4.810 1.00 0.00 N ATOM 853 CA PRO A 54 -11.879 -6.314 3.441 1.00 0.00 C ATOM 854 C PRO A 54 -12.796 -5.463 2.570 1.00 0.00 C ATOM 855 O PRO A 54 -12.564 -5.317 1.376 1.00 0.00 O ATOM 856 CB PRO A 54 -12.454 -7.721 3.616 1.00 0.00 C ATOM 857 CG PRO A 54 -12.097 -8.106 5.006 1.00 0.00 C ATOM 858 CD PRO A 54 -12.134 -6.836 5.805 1.00 0.00 C ATOM 0 HA PRO A 54 -10.912 -6.302 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.534 -7.728 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.029 -8.415 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.801 -8.838 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.108 -8.563 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.117 -6.665 6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.417 -6.856 6.626 1.00 0.00 H new ATOM 866 N ALA A 55 -13.829 -4.893 3.185 1.00 0.00 N ATOM 867 CA ALA A 55 -14.741 -3.996 2.485 1.00 0.00 C ATOM 868 C ALA A 55 -14.011 -2.743 2.011 1.00 0.00 C ATOM 869 O ALA A 55 -14.101 -2.363 0.845 1.00 0.00 O ATOM 870 CB ALA A 55 -15.906 -3.617 3.386 1.00 0.00 C ATOM 0 H ALA A 55 -14.055 -5.038 4.169 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.129 -4.519 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.578 -2.947 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.448 -4.517 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.529 -3.115 4.277 1.00 0.00 H new ATOM 876 N HIS A 56 -13.267 -2.121 2.923 1.00 0.00 N ATOM 877 CA HIS A 56 -12.521 -0.905 2.608 1.00 0.00 C ATOM 878 C HIS A 56 -11.397 -1.184 1.613 1.00 0.00 C ATOM 879 O HIS A 56 -11.108 -0.362 0.744 1.00 0.00 O ATOM 880 CB HIS A 56 -11.937 -0.273 3.882 1.00 0.00 C ATOM 881 CG HIS A 56 -12.905 0.583 4.645 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.770 0.873 5.990 1.00 0.00 N ATOM 883 CD2 HIS A 56 -14.013 1.246 4.235 1.00 0.00 C ATOM 884 CE1 HIS A 56 -13.753 1.672 6.366 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.518 1.911 5.320 1.00 0.00 N ATOM 0 H HIS A 56 -13.165 -2.439 3.887 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.222 -0.205 2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.578 -1.068 4.536 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.071 0.331 3.610 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.028 0.525 6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.423 1.249 3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.904 2.063 7.361 1.00 0.00 H new ATOM 894 N MET A 57 -10.778 -2.351 1.736 1.00 0.00 N ATOM 895 CA MET A 57 -9.630 -2.702 0.905 1.00 0.00 C ATOM 896 C MET A 57 -10.073 -3.346 -0.411 1.00 0.00 C ATOM 897 O MET A 57 -9.268 -3.543 -1.322 1.00 0.00 O ATOM 898 CB MET A 57 -8.701 -3.645 1.680 1.00 0.00 C ATOM 899 CG MET A 57 -7.342 -3.849 1.028 1.00 0.00 C ATOM 900 SD MET A 57 -6.239 -4.863 2.031 1.00 0.00 S ATOM 901 CE MET A 57 -4.748 -4.817 1.040 1.00 0.00 C ATOM 0 H MET A 57 -11.051 -3.072 2.404 1.00 0.00 H new ATOM 0 HA MET A 57 -9.090 -1.788 0.658 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.555 -3.249 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.190 -4.613 1.787 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.477 -4.319 0.054 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.878 -2.879 0.852 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.968 -5.401 1.529 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.953 -5.237 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.415 -3.785 0.932 1.00 0.00 H new ATOM 911 N ASP A 58 -11.362 -3.650 -0.512 1.00 0.00 N ATOM 912 CA ASP A 58 -11.916 -4.277 -1.714 1.00 0.00 C ATOM 913 C ASP A 58 -11.715 -3.382 -2.931 1.00 0.00 C ATOM 914 O ASP A 58 -11.456 -3.865 -4.034 1.00 0.00 O ATOM 915 CB ASP A 58 -13.406 -4.577 -1.526 1.00 0.00 C ATOM 916 CG ASP A 58 -14.023 -5.277 -2.721 1.00 0.00 C ATOM 917 OD1 ASP A 58 -13.909 -6.519 -2.817 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.642 -4.595 -3.561 1.00 0.00 O ATOM 0 H ASP A 58 -12.047 -3.474 0.223 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.386 -5.215 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.537 -5.198 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.939 -3.644 -1.343 1.00 0.00 H new ATOM 923 N ALA A 59 -11.811 -2.073 -2.714 1.00 0.00 N ATOM 924 CA ALA A 59 -11.603 -1.102 -3.781 1.00 0.00 C ATOM 925 C ALA A 59 -10.170 -1.172 -4.302 1.00 0.00 C ATOM 926 O ALA A 59 -9.922 -1.010 -5.496 1.00 0.00 O ATOM 927 CB ALA A 59 -11.924 0.301 -3.288 1.00 0.00 C ATOM 0 H ALA A 59 -12.032 -1.661 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.276 -1.344 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.764 1.016 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.964 0.344 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.274 0.550 -2.449 1.00 0.00 H new ATOM 933 N VAL A 60 -9.233 -1.438 -3.398 1.00 0.00 N ATOM 934 CA VAL A 60 -7.830 -1.572 -3.766 1.00 0.00 C ATOM 935 C VAL A 60 -7.646 -2.782 -4.671 1.00 0.00 C ATOM 936 O VAL A 60 -6.922 -2.729 -5.666 1.00 0.00 O ATOM 937 CB VAL A 60 -6.931 -1.731 -2.519 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.459 -1.722 -2.904 1.00 0.00 C ATOM 939 CG2 VAL A 60 -7.225 -0.641 -1.498 1.00 0.00 C ATOM 0 H VAL A 60 -9.421 -1.565 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.536 -0.663 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.156 -2.696 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.848 -1.835 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.257 -2.546 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.216 -0.778 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.581 -0.773 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.037 0.336 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.268 -0.704 -1.189 1.00 0.00 H new ATOM 949 N LEU A 61 -8.332 -3.864 -4.328 1.00 0.00 N ATOM 950 CA LEU A 61 -8.278 -5.092 -5.109 1.00 0.00 C ATOM 951 C LEU A 61 -8.951 -4.897 -6.464 1.00 0.00 C ATOM 952 O LEU A 61 -8.541 -5.486 -7.462 1.00 0.00 O ATOM 953 CB LEU A 61 -8.954 -6.234 -4.345 1.00 0.00 C ATOM 954 CG LEU A 61 -8.367 -6.533 -2.964 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.169 -7.622 -2.271 1.00 0.00 C ATOM 956 CD2 LEU A 61 -6.905 -6.942 -3.079 1.00 0.00 C ATOM 0 H LEU A 61 -8.936 -3.916 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.232 -5.348 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.011 -5.996 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.896 -7.139 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.423 -5.625 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.738 -7.823 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.202 -7.294 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.143 -8.531 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.506 -7.150 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.825 -7.836 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.336 -6.133 -3.536 1.00 0.00 H new ATOM 968 N ALA A 62 -9.979 -4.054 -6.489 1.00 0.00 N ATOM 969 CA ALA A 62 -10.706 -3.761 -7.719 1.00 0.00 C ATOM 970 C ALA A 62 -9.838 -2.978 -8.698 1.00 0.00 C ATOM 971 O ALA A 62 -10.002 -3.086 -9.914 1.00 0.00 O ATOM 972 CB ALA A 62 -11.980 -2.991 -7.409 1.00 0.00 C ATOM 0 H ALA A 62 -10.328 -3.560 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.972 -4.708 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.512 -2.779 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.615 -3.587 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.727 -2.053 -6.914 1.00 0.00 H new ATOM 978 N LEU A 63 -8.907 -2.196 -8.164 1.00 0.00 N ATOM 979 CA LEU A 63 -8.002 -1.404 -8.993 1.00 0.00 C ATOM 980 C LEU A 63 -6.875 -2.262 -9.570 1.00 0.00 C ATOM 981 O LEU A 63 -5.978 -1.746 -10.242 1.00 0.00 O ATOM 982 CB LEU A 63 -7.415 -0.243 -8.185 1.00 0.00 C ATOM 983 CG LEU A 63 -8.434 0.784 -7.686 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.749 1.860 -6.857 1.00 0.00 C ATOM 985 CD2 LEU A 63 -9.183 1.406 -8.856 1.00 0.00 C ATOM 0 H LEU A 63 -8.758 -2.092 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.582 -1.004 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.884 -0.652 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.677 0.271 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.155 0.270 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.491 2.580 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.261 1.401 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.004 2.370 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.903 2.134 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.475 1.904 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.708 0.626 -9.407 1.00 0.00 H new ATOM 997 N ASN A 64 -6.934 -3.566 -9.299 1.00 0.00 N ATOM 998 CA ASN A 64 -5.967 -4.539 -9.816 1.00 0.00 C ATOM 999 C ASN A 64 -4.561 -4.280 -9.271 1.00 0.00 C ATOM 1000 O ASN A 64 -3.769 -3.546 -9.868 1.00 0.00 O ATOM 1001 CB ASN A 64 -5.954 -4.546 -11.353 1.00 0.00 C ATOM 1002 CG ASN A 64 -5.059 -5.631 -11.929 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -3.869 -5.418 -12.154 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.629 -6.800 -12.183 1.00 0.00 N ATOM 0 H ASN A 64 -7.657 -3.981 -8.712 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.285 -5.523 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.971 -4.687 -11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.617 -3.574 -11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.077 -7.561 -12.579 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.619 -6.939 -11.983 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.259 -4.839 -8.093 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.939 -4.791 -7.496 1.00 0.00 C ATOM 1013 C PRO A 65 -2.159 -6.098 -7.687 1.00 0.00 C ATOM 1014 O PRO A 65 -2.626 -7.175 -7.316 1.00 0.00 O ATOM 1015 CB PRO A 65 -3.279 -4.581 -6.020 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.626 -5.225 -5.824 1.00 0.00 C ATOM 1017 CD PRO A 65 -5.196 -5.516 -7.197 1.00 0.00 C ATOM 0 HA PRO A 65 -2.300 -4.025 -7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.528 -5.037 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.311 -3.520 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.531 -6.144 -5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.289 -4.564 -5.266 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.242 -6.587 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.209 -5.128 -7.304 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.973 -6.005 -8.275 1.00 0.00 N ATOM 1026 CA ALA A 66 -0.111 -7.173 -8.414 1.00 0.00 C ATOM 1027 C ALA A 66 0.755 -7.324 -7.172 1.00 0.00 C ATOM 1028 O ALA A 66 1.103 -8.434 -6.762 1.00 0.00 O ATOM 1029 CB ALA A 66 0.752 -7.064 -9.663 1.00 0.00 C ATOM 0 H ALA A 66 -0.588 -5.142 -8.660 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.736 -8.060 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.386 -7.947 -9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.112 -6.994 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.377 -6.173 -9.597 1.00 0.00 H new ATOM 1035 N VAL A 67 1.103 -6.192 -6.582 1.00 0.00 N ATOM 1036 CA VAL A 67 1.834 -6.165 -5.329 1.00 0.00 C ATOM 1037 C VAL A 67 1.424 -4.935 -4.525 1.00 0.00 C ATOM 1038 O VAL A 67 1.280 -3.839 -5.075 1.00 0.00 O ATOM 1039 CB VAL A 67 3.367 -6.180 -5.554 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.802 -5.035 -6.455 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.111 -6.129 -4.228 1.00 0.00 C ATOM 0 H VAL A 67 0.887 -5.269 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 67 1.583 -7.067 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 67 3.619 -7.116 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.882 -5.072 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.308 -5.125 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.528 -4.086 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.185 -6.141 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.844 -5.216 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.837 -6.994 -3.624 1.00 0.00 H new ATOM 1051 N ILE A 68 1.201 -5.126 -3.238 1.00 0.00 N ATOM 1052 CA ILE A 68 0.763 -4.047 -2.373 1.00 0.00 C ATOM 1053 C ILE A 68 1.804 -3.772 -1.297 1.00 0.00 C ATOM 1054 O ILE A 68 2.134 -4.648 -0.493 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.591 -4.372 -1.704 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.638 -4.729 -2.764 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.066 -3.192 -0.862 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.965 -5.174 -2.187 1.00 0.00 C ATOM 0 H ILE A 68 1.317 -6.023 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 68 0.638 -3.161 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.456 -5.232 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.803 -3.862 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.243 -5.523 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.021 -3.437 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.330 -2.978 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.187 -2.316 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.654 -5.409 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.815 -6.060 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.383 -4.374 -1.577 1.00 0.00 H new ATOM 1070 N LEU A 69 2.330 -2.560 -1.297 1.00 0.00 N ATOM 1071 CA LEU A 69 3.271 -2.144 -0.276 1.00 0.00 C ATOM 1072 C LEU A 69 2.522 -1.449 0.843 1.00 0.00 C ATOM 1073 O LEU A 69 1.941 -0.384 0.643 1.00 0.00 O ATOM 1074 CB LEU A 69 4.334 -1.216 -0.862 1.00 0.00 C ATOM 1075 CG LEU A 69 5.222 -1.844 -1.936 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.234 -0.833 -2.442 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.926 -3.078 -1.393 1.00 0.00 C ATOM 0 H LEU A 69 2.120 -1.846 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 69 3.777 -3.025 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.838 -0.344 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.969 -0.858 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 69 4.591 -2.150 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.859 -1.295 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.711 0.023 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.860 -0.499 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.553 -3.511 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.546 -2.798 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.184 -3.810 -1.076 1.00 0.00 H new ATOM 1089 N LEU A 70 2.524 -2.066 2.008 1.00 0.00 N ATOM 1090 CA LEU A 70 1.760 -1.565 3.132 1.00 0.00 C ATOM 1091 C LEU A 70 2.674 -0.856 4.119 1.00 0.00 C ATOM 1092 O LEU A 70 3.331 -1.495 4.937 1.00 0.00 O ATOM 1093 CB LEU A 70 1.028 -2.719 3.824 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.013 -2.308 4.863 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.151 -1.556 4.198 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.537 -3.528 5.606 1.00 0.00 C ATOM 0 H LEU A 70 3.049 -2.919 2.201 1.00 0.00 H new ATOM 0 HA LEU A 70 1.024 -0.849 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.536 -3.323 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.767 -3.357 4.308 1.00 0.00 H new ATOM 0 HG LEU A 70 0.461 -1.646 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.886 -1.269 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.761 -0.662 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.625 -2.196 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.278 -3.215 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.998 -4.216 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.289 -4.028 6.112 1.00 0.00 H new ATOM 1108 N GLY A 71 2.739 0.461 4.018 1.00 0.00 N ATOM 1109 CA GLY A 71 3.541 1.232 4.944 1.00 0.00 C ATOM 1110 C GLY A 71 2.735 1.639 6.155 1.00 0.00 C ATOM 1111 O GLY A 71 1.842 2.469 6.046 1.00 0.00 O ATOM 0 H GLY A 71 2.251 1.011 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.404 0.645 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.925 2.121 4.444 1.00 0.00 H new ATOM 1115 N THR A 72 3.036 1.053 7.305 1.00 0.00 N ATOM 1116 CA THR A 72 2.257 1.296 8.511 1.00 0.00 C ATOM 1117 C THR A 72 2.817 2.467 9.325 1.00 0.00 C ATOM 1118 O THR A 72 3.031 2.358 10.535 1.00 0.00 O ATOM 1119 CB THR A 72 2.190 0.027 9.382 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.506 -0.505 9.584 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.308 -1.024 8.725 1.00 0.00 C ATOM 0 H THR A 72 3.814 0.406 7.429 1.00 0.00 H new ATOM 0 HA THR A 72 1.248 1.562 8.195 1.00 0.00 H new ATOM 0 HB THR A 72 1.760 0.295 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.948 -0.017 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.272 -1.914 9.354 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.301 -0.627 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.719 -1.286 7.750 1.00 0.00 H new ATOM 1129 N GLY A 73 3.017 3.591 8.649 1.00 0.00 N ATOM 1130 CA GLY A 73 3.478 4.805 9.293 1.00 0.00 C ATOM 1131 C GLY A 73 4.806 4.670 10.015 1.00 0.00 C ATOM 1132 O GLY A 73 5.875 4.718 9.400 1.00 0.00 O ATOM 0 H GLY A 73 2.864 3.683 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.566 5.589 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.722 5.132 10.007 1.00 0.00 H new ATOM 1136 N GLU A 74 4.724 4.500 11.324 1.00 0.00 N ATOM 1137 CA GLU A 74 5.887 4.569 12.197 1.00 0.00 C ATOM 1138 C GLU A 74 6.580 3.218 12.325 1.00 0.00 C ATOM 1139 O GLU A 74 7.751 3.074 11.972 1.00 0.00 O ATOM 1140 CB GLU A 74 5.448 5.068 13.576 1.00 0.00 C ATOM 1141 CG GLU A 74 6.565 5.136 14.604 1.00 0.00 C ATOM 1142 CD GLU A 74 6.075 5.651 15.940 1.00 0.00 C ATOM 1143 OE1 GLU A 74 5.530 4.853 16.727 1.00 0.00 O ATOM 1144 OE2 GLU A 74 6.216 6.863 16.198 1.00 0.00 O ATOM 0 H GLU A 74 3.849 4.310 11.813 1.00 0.00 H new ATOM 0 HA GLU A 74 6.605 5.261 11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.010 6.060 13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.663 4.412 13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.998 4.144 14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.359 5.785 14.234 1.00 0.00 H new ATOM 1151 N ARG A 75 5.853 2.234 12.825 1.00 0.00 N ATOM 1152 CA ARG A 75 6.428 0.930 13.106 1.00 0.00 C ATOM 1153 C ARG A 75 5.673 -0.135 12.329 1.00 0.00 C ATOM 1154 O ARG A 75 4.515 0.069 11.972 1.00 0.00 O ATOM 1155 CB ARG A 75 6.353 0.640 14.608 1.00 0.00 C ATOM 1156 CG ARG A 75 7.428 -0.311 15.112 1.00 0.00 C ATOM 1157 CD ARG A 75 7.222 -0.658 16.578 1.00 0.00 C ATOM 1158 NE ARG A 75 6.894 0.520 17.384 1.00 0.00 N ATOM 1159 CZ ARG A 75 7.441 0.802 18.566 1.00 0.00 C ATOM 1160 NH1 ARG A 75 8.420 0.053 19.058 1.00 0.00 N ATOM 1161 NH2 ARG A 75 7.018 1.857 19.248 1.00 0.00 N ATOM 0 H ARG A 75 4.860 2.314 13.045 1.00 0.00 H new ATOM 0 HA ARG A 75 7.474 0.922 12.800 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.431 1.581 15.153 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.374 0.219 14.837 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.417 -1.224 14.516 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.409 0.144 14.979 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.421 -1.392 16.667 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.126 -1.124 16.970 1.00 0.00 H new ATOM 0 HE ARG A 75 6.199 1.169 17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.763 -0.750 18.530 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.830 0.280 19.964 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.278 2.447 18.867 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.432 2.079 20.153 1.00 0.00 H new ATOM 1175 N GLN A 76 6.328 -1.257 12.065 1.00 0.00 N ATOM 1176 CA GLN A 76 5.712 -2.353 11.327 1.00 0.00 C ATOM 1177 C GLN A 76 4.578 -2.977 12.140 1.00 0.00 C ATOM 1178 O GLN A 76 4.813 -3.816 13.013 1.00 0.00 O ATOM 1179 CB GLN A 76 6.763 -3.412 10.987 1.00 0.00 C ATOM 1180 CG GLN A 76 6.283 -4.479 10.016 1.00 0.00 C ATOM 1181 CD GLN A 76 7.338 -5.538 9.757 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.147 -5.853 10.627 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.357 -6.070 8.546 1.00 0.00 N ATOM 0 H GLN A 76 7.291 -1.433 12.352 1.00 0.00 H new ATOM 0 HA GLN A 76 5.295 -1.957 10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.637 -2.917 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.087 -3.895 11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.386 -4.953 10.415 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.003 -4.010 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.668 -5.782 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.061 -6.768 8.307 1.00 0.00 H new ATOM 1192 N GLN A 77 3.354 -2.554 11.863 1.00 0.00 N ATOM 1193 CA GLN A 77 2.194 -3.043 12.590 1.00 0.00 C ATOM 1194 C GLN A 77 1.385 -3.983 11.707 1.00 0.00 C ATOM 1195 O GLN A 77 0.976 -3.618 10.606 1.00 0.00 O ATOM 1196 CB GLN A 77 1.327 -1.871 13.063 1.00 0.00 C ATOM 1197 CG GLN A 77 0.168 -2.290 13.955 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.662 -1.114 14.435 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -1.630 -0.717 13.788 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.295 -0.550 15.574 1.00 0.00 N ATOM 0 H GLN A 77 3.139 -1.871 11.137 1.00 0.00 H new ATOM 0 HA GLN A 77 2.534 -3.593 13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.953 -1.162 13.605 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.933 -1.347 12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.473 -2.982 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.557 -2.830 14.818 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.514 -0.907 16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.821 0.242 15.944 1.00 0.00 H new ATOM 1209 N PHE A 78 1.168 -5.196 12.187 1.00 0.00 N ATOM 1210 CA PHE A 78 0.440 -6.190 11.420 1.00 0.00 C ATOM 1211 C PHE A 78 -1.060 -6.036 11.632 1.00 0.00 C ATOM 1212 O PHE A 78 -1.537 -6.027 12.770 1.00 0.00 O ATOM 1213 CB PHE A 78 0.901 -7.595 11.803 1.00 0.00 C ATOM 1214 CG PHE A 78 2.366 -7.817 11.551 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.834 -8.029 10.264 1.00 0.00 C ATOM 1216 CD2 PHE A 78 3.272 -7.808 12.598 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.180 -8.220 10.027 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.619 -8.000 12.366 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.074 -8.209 11.079 1.00 0.00 C ATOM 0 H PHE A 78 1.485 -5.515 13.102 1.00 0.00 H new ATOM 0 HA PHE A 78 0.649 -6.036 10.361 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.689 -7.767 12.858 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.325 -8.328 11.238 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.138 -8.045 9.438 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.921 -7.649 13.607 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.534 -8.378 9.019 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.317 -7.987 13.190 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.127 -8.364 10.896 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.820 -5.891 10.536 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.274 -5.749 10.591 1.00 0.00 C ATOM 1231 C PRO A 79 -3.964 -7.040 11.015 1.00 0.00 C ATOM 1232 O PRO A 79 -3.314 -8.064 11.242 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.672 -5.389 9.152 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.397 -5.082 8.441 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.323 -5.847 9.156 1.00 0.00 C ATOM 0 HA PRO A 79 -3.572 -5.001 11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.197 -6.216 8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.345 -4.532 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.454 -5.379 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.190 -4.012 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.193 -6.846 8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.357 -5.346 9.090 1.00 0.00 H new ATOM 1243 N SER A 80 -5.281 -6.985 11.111 1.00 0.00 N ATOM 1244 CA SER A 80 -6.071 -8.134 11.513 1.00 0.00 C ATOM 1245 C SER A 80 -5.941 -9.275 10.504 1.00 0.00 C ATOM 1246 O SER A 80 -5.902 -9.052 9.289 1.00 0.00 O ATOM 1247 CB SER A 80 -7.533 -7.717 11.658 1.00 0.00 C ATOM 1248 OG SER A 80 -7.645 -6.548 12.452 1.00 0.00 O ATOM 0 H SER A 80 -5.829 -6.148 10.914 1.00 0.00 H new ATOM 0 HA SER A 80 -5.698 -8.496 12.471 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.964 -7.536 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.104 -8.527 12.112 1.00 0.00 H new ATOM 0 HG SER A 80 -8.589 -6.296 12.532 1.00 0.00 H new ATOM 1254 N THR A 81 -5.886 -10.500 11.020 1.00 0.00 N ATOM 1255 CA THR A 81 -5.773 -11.690 10.193 1.00 0.00 C ATOM 1256 C THR A 81 -6.997 -11.855 9.296 1.00 0.00 C ATOM 1257 O THR A 81 -6.949 -12.544 8.275 1.00 0.00 O ATOM 1258 CB THR A 81 -5.592 -12.937 11.076 1.00 0.00 C ATOM 1259 OG1 THR A 81 -6.354 -12.796 12.285 1.00 0.00 O ATOM 1260 CG2 THR A 81 -4.125 -13.154 11.414 1.00 0.00 C ATOM 0 H THR A 81 -5.919 -10.692 12.021 1.00 0.00 H new ATOM 0 HA THR A 81 -4.897 -11.575 9.555 1.00 0.00 H new ATOM 0 HB THR A 81 -5.950 -13.804 10.521 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.235 -13.594 12.841 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.023 -14.041 12.039 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.556 -13.290 10.494 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.743 -12.286 11.951 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.086 -11.205 9.693 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.320 -11.181 8.912 1.00 0.00 C ATOM 1270 C ASP A 82 -9.069 -10.609 7.517 1.00 0.00 C ATOM 1271 O ASP A 82 -9.558 -11.135 6.517 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.374 -10.339 9.642 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.673 -10.211 8.873 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.550 -11.090 9.024 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.838 -9.222 8.129 1.00 0.00 O ATOM 0 H ASP A 82 -8.139 -10.679 10.566 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.683 -12.203 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.578 -10.787 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.970 -9.344 9.828 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.281 -9.540 7.459 1.00 0.00 N ATOM 1281 CA VAL A 83 -8.003 -8.855 6.202 1.00 0.00 C ATOM 1282 C VAL A 83 -6.869 -9.540 5.440 1.00 0.00 C ATOM 1283 O VAL A 83 -6.919 -9.672 4.216 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.625 -7.378 6.449 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -7.517 -6.619 5.135 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.631 -6.712 7.374 1.00 0.00 C ATOM 0 H VAL A 83 -7.822 -9.128 8.272 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.913 -8.899 5.604 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.649 -7.355 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.250 -5.581 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.749 -7.078 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.474 -6.653 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.345 -5.672 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.622 -6.750 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.648 -7.235 8.330 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.863 -9.999 6.182 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.658 -10.585 5.592 1.00 0.00 C ATOM 1298 C LEU A 84 -4.981 -11.790 4.708 1.00 0.00 C ATOM 1299 O LEU A 84 -4.269 -12.073 3.741 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.685 -11.006 6.698 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.204 -9.877 7.613 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.309 -10.429 8.711 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.467 -8.817 6.809 1.00 0.00 C ATOM 0 H LEU A 84 -5.858 -9.976 7.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.199 -9.823 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.166 -11.768 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.815 -11.472 6.235 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.075 -9.414 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.975 -9.614 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.866 -11.154 9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.443 -10.916 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.132 -8.022 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.604 -9.267 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.136 -8.401 6.056 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.064 -12.485 5.033 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.453 -13.686 4.308 1.00 0.00 C ATOM 1317 C ALA A 85 -6.799 -13.383 2.850 1.00 0.00 C ATOM 1318 O ALA A 85 -6.615 -14.230 1.976 1.00 0.00 O ATOM 1319 CB ALA A 85 -7.631 -14.354 4.997 1.00 0.00 C ATOM 0 H ALA A 85 -6.691 -12.235 5.798 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.600 -14.364 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.914 -15.251 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.351 -14.626 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.475 -13.665 5.025 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.279 -12.172 2.587 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.717 -11.797 1.245 1.00 0.00 C ATOM 1327 C ALA A 86 -6.550 -11.768 0.259 1.00 0.00 C ATOM 1328 O ALA A 86 -6.644 -12.301 -0.847 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.415 -10.445 1.276 1.00 0.00 C ATOM 0 H ALA A 86 -7.375 -11.433 3.284 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.422 -12.555 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.736 -10.178 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.284 -10.499 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.725 -9.688 1.650 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.449 -11.155 0.669 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.278 -11.037 -0.191 1.00 0.00 C ATOM 1337 C CYS A 87 -3.572 -12.381 -0.342 1.00 0.00 C ATOM 1338 O CYS A 87 -3.113 -12.736 -1.431 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.310 -10.000 0.382 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.067 -8.388 0.689 1.00 0.00 S ATOM 0 H CYS A 87 -5.341 -10.732 1.591 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.611 -10.713 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.896 -10.380 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.476 -9.874 -0.309 1.00 0.00 H new ATOM 0 HG CYS A 87 -3.172 -7.455 0.552 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.515 -13.131 0.751 1.00 0.00 N ATOM 1347 CA LEU A 88 -2.799 -14.400 0.780 1.00 0.00 C ATOM 1348 C LEU A 88 -3.479 -15.433 -0.118 1.00 0.00 C ATOM 1349 O LEU A 88 -2.810 -16.157 -0.855 1.00 0.00 O ATOM 1350 CB LEU A 88 -2.709 -14.908 2.229 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.761 -16.094 2.479 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.305 -16.101 3.930 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -2.437 -17.418 2.148 1.00 0.00 C ATOM 0 H LEU A 88 -3.959 -12.880 1.634 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.791 -14.244 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.394 -14.079 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.709 -15.195 2.553 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.896 -15.977 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.635 -16.944 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.781 -15.171 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.172 -16.193 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.743 -18.238 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.321 -17.542 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.732 -17.424 1.099 1.00 0.00 H new ATOM 1365 N THR A 89 -4.806 -15.484 -0.070 1.00 0.00 N ATOM 1366 CA THR A 89 -5.555 -16.492 -0.810 1.00 0.00 C ATOM 1367 C THR A 89 -5.383 -16.346 -2.321 1.00 0.00 C ATOM 1368 O THR A 89 -5.142 -17.332 -3.018 1.00 0.00 O ATOM 1369 CB THR A 89 -7.054 -16.458 -0.456 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.513 -15.102 -0.396 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.313 -17.154 0.874 1.00 0.00 C ATOM 0 H THR A 89 -5.383 -14.841 0.472 1.00 0.00 H new ATOM 0 HA THR A 89 -5.142 -17.455 -0.510 1.00 0.00 H new ATOM 0 HB THR A 89 -7.602 -16.989 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.399 -14.758 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.378 -17.117 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.992 -18.194 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.755 -16.650 1.663 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.491 -15.119 -2.827 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.356 -14.888 -4.263 1.00 0.00 C ATOM 1381 C ARG A 90 -3.890 -14.961 -4.686 1.00 0.00 C ATOM 1382 O ARG A 90 -3.578 -15.288 -5.831 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.944 -13.532 -4.667 1.00 0.00 C ATOM 1384 CG ARG A 90 -6.042 -13.356 -6.178 1.00 0.00 C ATOM 1385 CD ARG A 90 -6.439 -11.943 -6.572 1.00 0.00 C ATOM 1386 NE ARG A 90 -6.645 -11.820 -8.015 1.00 0.00 N ATOM 1387 CZ ARG A 90 -5.757 -11.292 -8.864 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -4.589 -10.847 -8.418 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -6.044 -11.212 -10.157 1.00 0.00 N ATOM 0 H ARG A 90 -5.669 -14.281 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.914 -15.672 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.936 -13.427 -4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.326 -12.735 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.082 -13.601 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.772 -14.060 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.353 -11.663 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.664 -11.246 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.526 -12.160 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.366 -10.907 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.914 -10.445 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.941 -11.553 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.367 -10.809 -10.806 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.995 -14.655 -3.759 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.580 -14.685 -4.066 1.00 0.00 C ATOM 1405 C GLY A 91 -1.050 -13.319 -4.448 1.00 0.00 C ATOM 1406 O GLY A 91 -0.336 -13.170 -5.440 1.00 0.00 O ATOM 0 H GLY A 91 -3.222 -14.387 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.030 -15.058 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.402 -15.384 -4.883 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.415 -12.314 -3.669 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.945 -10.959 -3.901 1.00 0.00 C ATOM 1412 C ILE A 92 0.108 -10.598 -2.865 1.00 0.00 C ATOM 1413 O ILE A 92 -0.132 -10.727 -1.663 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.100 -9.934 -3.841 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.169 -10.272 -4.885 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.572 -8.518 -4.055 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.370 -9.350 -4.848 1.00 0.00 C ATOM 0 H ILE A 92 -2.038 -12.412 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.515 -10.923 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.555 -9.984 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.721 -10.230 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.504 -11.297 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.400 -7.810 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.847 -8.279 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.092 -8.452 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.084 -9.651 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.844 -9.409 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.048 -8.325 -5.034 1.00 0.00 H new ATOM 1429 N GLY A 93 1.274 -10.174 -3.335 1.00 0.00 N ATOM 1430 CA GLY A 93 2.343 -9.791 -2.436 1.00 0.00 C ATOM 1431 C GLY A 93 1.963 -8.609 -1.570 1.00 0.00 C ATOM 1432 O GLY A 93 1.652 -7.533 -2.082 1.00 0.00 O ATOM 0 H GLY A 93 1.498 -10.089 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.602 -10.637 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.232 -9.544 -3.016 1.00 0.00 H new ATOM 1436 N LEU A 94 1.968 -8.814 -0.265 1.00 0.00 N ATOM 1437 CA LEU A 94 1.608 -7.768 0.677 1.00 0.00 C ATOM 1438 C LEU A 94 2.758 -7.528 1.641 1.00 0.00 C ATOM 1439 O LEU A 94 2.938 -8.267 2.612 1.00 0.00 O ATOM 1440 CB LEU A 94 0.336 -8.152 1.443 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.155 -7.121 2.466 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.533 -5.820 1.778 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.335 -7.673 3.250 1.00 0.00 C ATOM 0 H LEU A 94 2.219 -9.702 0.169 1.00 0.00 H new ATOM 0 HA LEU A 94 1.410 -6.848 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.462 -8.331 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.515 -9.095 1.960 1.00 0.00 H new ATOM 0 HG LEU A 94 0.657 -6.914 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.879 -5.102 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.337 -5.416 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.329 -6.007 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.672 -6.929 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.149 -7.908 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.031 -8.578 3.776 1.00 0.00 H new ATOM 1455 N GLU A 95 3.546 -6.505 1.364 1.00 0.00 N ATOM 1456 CA GLU A 95 4.723 -6.226 2.166 1.00 0.00 C ATOM 1457 C GLU A 95 4.444 -5.113 3.166 1.00 0.00 C ATOM 1458 O GLU A 95 4.423 -3.936 2.809 1.00 0.00 O ATOM 1459 CB GLU A 95 5.905 -5.845 1.272 1.00 0.00 C ATOM 1460 CG GLU A 95 6.209 -6.863 0.181 1.00 0.00 C ATOM 1461 CD GLU A 95 6.429 -8.264 0.719 1.00 0.00 C ATOM 1462 OE1 GLU A 95 6.833 -8.404 1.894 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.206 -9.236 -0.035 1.00 0.00 O ATOM 0 H GLU A 95 3.393 -5.856 0.592 1.00 0.00 H new ATOM 0 HA GLU A 95 4.978 -7.131 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.700 -4.880 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.791 -5.718 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.385 -6.879 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.097 -6.547 -0.366 1.00 0.00 H new ATOM 1470 N ALA A 96 4.206 -5.495 4.412 1.00 0.00 N ATOM 1471 CA ALA A 96 3.968 -4.529 5.473 1.00 0.00 C ATOM 1472 C ALA A 96 5.294 -4.021 6.022 1.00 0.00 C ATOM 1473 O ALA A 96 6.070 -4.784 6.594 1.00 0.00 O ATOM 1474 CB ALA A 96 3.131 -5.151 6.582 1.00 0.00 C ATOM 0 H ALA A 96 4.173 -6.469 4.713 1.00 0.00 H new ATOM 0 HA ALA A 96 3.414 -3.685 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.963 -4.414 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.172 -5.475 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.658 -6.010 6.997 1.00 0.00 H new ATOM 1480 N MET A 97 5.555 -2.738 5.832 1.00 0.00 N ATOM 1481 CA MET A 97 6.822 -2.138 6.229 1.00 0.00 C ATOM 1482 C MET A 97 6.591 -0.730 6.762 1.00 0.00 C ATOM 1483 O MET A 97 5.450 -0.310 6.940 1.00 0.00 O ATOM 1484 CB MET A 97 7.790 -2.097 5.038 1.00 0.00 C ATOM 1485 CG MET A 97 8.214 -3.471 4.537 1.00 0.00 C ATOM 1486 SD MET A 97 9.219 -3.397 3.040 1.00 0.00 S ATOM 1487 CE MET A 97 8.075 -2.613 1.907 1.00 0.00 C ATOM 0 H MET A 97 4.900 -2.085 5.401 1.00 0.00 H new ATOM 0 HA MET A 97 7.263 -2.747 7.018 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.320 -1.552 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.679 -1.536 5.325 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.776 -3.980 5.320 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.325 -4.071 4.342 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.531 -2.545 0.919 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.161 -3.204 1.845 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.836 -1.612 2.266 1.00 0.00 H new ATOM 1497 N THR A 98 7.669 -0.007 7.017 1.00 0.00 N ATOM 1498 CA THR A 98 7.573 1.365 7.494 1.00 0.00 C ATOM 1499 C THR A 98 7.452 2.328 6.315 1.00 0.00 C ATOM 1500 O THR A 98 7.687 1.937 5.170 1.00 0.00 O ATOM 1501 CB THR A 98 8.808 1.740 8.329 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.999 1.525 7.555 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.869 0.915 9.606 1.00 0.00 C ATOM 0 H THR A 98 8.624 -0.347 6.902 1.00 0.00 H new ATOM 0 HA THR A 98 6.684 1.441 8.120 1.00 0.00 H new ATOM 0 HB THR A 98 8.734 2.793 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.784 1.766 8.089 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.751 1.198 10.180 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.974 1.099 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.925 -0.144 9.353 1.00 0.00 H new ATOM 1511 N ASN A 99 7.085 3.577 6.597 1.00 0.00 N ATOM 1512 CA ASN A 99 6.995 4.605 5.557 1.00 0.00 C ATOM 1513 C ASN A 99 8.291 4.705 4.764 1.00 0.00 C ATOM 1514 O ASN A 99 8.276 4.747 3.533 1.00 0.00 O ATOM 1515 CB ASN A 99 6.661 5.972 6.167 1.00 0.00 C ATOM 1516 CG ASN A 99 5.168 6.204 6.301 1.00 0.00 C ATOM 1517 OD1 ASN A 99 4.391 5.265 6.435 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.759 7.464 6.272 1.00 0.00 N ATOM 0 H ASN A 99 6.845 3.903 7.533 1.00 0.00 H new ATOM 0 HA ASN A 99 6.193 4.310 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.126 6.050 7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.092 6.757 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.766 7.680 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.437 8.218 6.159 1.00 0.00 H new ATOM 1525 N ALA A 100 9.412 4.722 5.473 1.00 0.00 N ATOM 1526 CA ALA A 100 10.716 4.845 4.839 1.00 0.00 C ATOM 1527 C ALA A 100 11.014 3.644 3.946 1.00 0.00 C ATOM 1528 O ALA A 100 11.358 3.800 2.773 1.00 0.00 O ATOM 1529 CB ALA A 100 11.801 5.004 5.892 1.00 0.00 C ATOM 0 H ALA A 100 9.443 4.652 6.490 1.00 0.00 H new ATOM 0 HA ALA A 100 10.701 5.734 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.771 5.095 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.607 5.899 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.804 4.132 6.546 1.00 0.00 H new ATOM 1535 N ALA A 101 10.861 2.447 4.503 1.00 0.00 N ATOM 1536 CA ALA A 101 11.162 1.218 3.777 1.00 0.00 C ATOM 1537 C ALA A 101 10.259 1.057 2.558 1.00 0.00 C ATOM 1538 O ALA A 101 10.725 0.694 1.476 1.00 0.00 O ATOM 1539 CB ALA A 101 11.028 0.016 4.697 1.00 0.00 C ATOM 0 H ALA A 101 10.530 2.302 5.457 1.00 0.00 H new ATOM 0 HA ALA A 101 12.191 1.281 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.255 -0.894 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.723 0.116 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.009 -0.038 5.080 1.00 0.00 H new ATOM 1545 N ALA A 102 8.975 1.345 2.736 1.00 0.00 N ATOM 1546 CA ALA A 102 8.002 1.197 1.661 1.00 0.00 C ATOM 1547 C ALA A 102 8.330 2.113 0.487 1.00 0.00 C ATOM 1548 O ALA A 102 8.265 1.695 -0.668 1.00 0.00 O ATOM 1549 CB ALA A 102 6.595 1.472 2.171 1.00 0.00 C ATOM 0 H ALA A 102 8.584 1.683 3.615 1.00 0.00 H new ATOM 0 HA ALA A 102 8.051 0.167 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.883 1.357 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.352 0.767 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.541 2.489 2.558 1.00 0.00 H new ATOM 1555 N ALA A 103 8.706 3.352 0.790 1.00 0.00 N ATOM 1556 CA ALA A 103 8.994 4.348 -0.239 1.00 0.00 C ATOM 1557 C ALA A 103 10.147 3.916 -1.144 1.00 0.00 C ATOM 1558 O ALA A 103 10.073 4.051 -2.366 1.00 0.00 O ATOM 1559 CB ALA A 103 9.307 5.689 0.406 1.00 0.00 C ATOM 0 H ALA A 103 8.819 3.692 1.745 1.00 0.00 H new ATOM 0 HA ALA A 103 8.106 4.444 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.520 6.425 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.450 6.019 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.175 5.586 1.057 1.00 0.00 H new ATOM 1565 N ARG A 104 11.205 3.384 -0.546 1.00 0.00 N ATOM 1566 CA ARG A 104 12.381 2.992 -1.315 1.00 0.00 C ATOM 1567 C ARG A 104 12.141 1.679 -2.051 1.00 0.00 C ATOM 1568 O ARG A 104 12.647 1.478 -3.155 1.00 0.00 O ATOM 1569 CB ARG A 104 13.624 2.895 -0.423 1.00 0.00 C ATOM 1570 CG ARG A 104 14.238 4.248 -0.074 1.00 0.00 C ATOM 1571 CD ARG A 104 13.342 5.057 0.850 1.00 0.00 C ATOM 1572 NE ARG A 104 13.830 6.421 1.052 1.00 0.00 N ATOM 1573 CZ ARG A 104 14.150 6.926 2.243 1.00 0.00 C ATOM 1574 NH1 ARG A 104 14.102 6.160 3.327 1.00 0.00 N ATOM 1575 NH2 ARG A 104 14.529 8.195 2.345 1.00 0.00 N ATOM 0 H ARG A 104 11.275 3.215 0.457 1.00 0.00 H new ATOM 0 HA ARG A 104 12.562 3.770 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.359 2.378 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.374 2.285 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.206 4.095 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.418 4.812 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 104 12.335 5.093 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.271 4.554 1.814 1.00 0.00 H new ATOM 0 HE ARG A 104 13.931 7.021 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 104 13.820 5.183 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.347 6.549 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 104 14.575 8.782 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 104 14.774 8.582 3.256 1.00 0.00 H new ATOM 1589 N THR A 105 11.356 0.796 -1.449 1.00 0.00 N ATOM 1590 CA THR A 105 10.978 -0.448 -2.102 1.00 0.00 C ATOM 1591 C THR A 105 10.064 -0.151 -3.290 1.00 0.00 C ATOM 1592 O THR A 105 10.133 -0.810 -4.332 1.00 0.00 O ATOM 1593 CB THR A 105 10.268 -1.398 -1.117 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.076 -1.575 0.054 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.998 -2.753 -1.756 1.00 0.00 C ATOM 0 H THR A 105 10.970 0.918 -0.513 1.00 0.00 H new ATOM 0 HA THR A 105 11.885 -0.940 -2.454 1.00 0.00 H new ATOM 0 HB THR A 105 9.313 -0.950 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.091 -0.742 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.497 -3.401 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.362 -2.622 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.942 -3.208 -2.058 1.00 0.00 H new ATOM 1603 N TYR A 106 9.225 0.864 -3.124 1.00 0.00 N ATOM 1604 CA TYR A 106 8.334 1.321 -4.179 1.00 0.00 C ATOM 1605 C TYR A 106 9.144 1.770 -5.388 1.00 0.00 C ATOM 1606 O TYR A 106 8.818 1.434 -6.523 1.00 0.00 O ATOM 1607 CB TYR A 106 7.467 2.472 -3.658 1.00 0.00 C ATOM 1608 CG TYR A 106 6.353 2.883 -4.589 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.227 2.086 -4.738 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.419 4.070 -5.305 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.197 2.461 -5.574 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.393 4.450 -6.147 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.284 3.641 -6.277 1.00 0.00 C ATOM 1614 OH TYR A 106 3.257 4.016 -7.103 1.00 0.00 O ATOM 0 H TYR A 106 9.144 1.392 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 106 7.685 0.500 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.035 2.181 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.105 3.336 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.156 1.158 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.286 4.706 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.325 1.831 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.459 5.375 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 106 2.401 3.853 -6.655 1.00 0.00 H new ATOM 1624 N ASN A 107 10.211 2.514 -5.119 1.00 0.00 N ATOM 1625 CA ASN A 107 11.130 2.969 -6.161 1.00 0.00 C ATOM 1626 C ASN A 107 11.641 1.798 -6.997 1.00 0.00 C ATOM 1627 O ASN A 107 11.697 1.877 -8.225 1.00 0.00 O ATOM 1628 CB ASN A 107 12.305 3.725 -5.521 1.00 0.00 C ATOM 1629 CG ASN A 107 13.504 3.877 -6.442 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.571 4.800 -7.255 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.474 2.986 -6.297 1.00 0.00 N ATOM 0 H ASN A 107 10.464 2.818 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 107 10.590 3.641 -6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.966 4.714 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.615 3.200 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.315 3.050 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.380 2.236 -5.612 1.00 0.00 H new ATOM 1638 N VAL A 108 11.987 0.705 -6.330 1.00 0.00 N ATOM 1639 CA VAL A 108 12.514 -0.470 -7.011 1.00 0.00 C ATOM 1640 C VAL A 108 11.445 -1.119 -7.888 1.00 0.00 C ATOM 1641 O VAL A 108 11.666 -1.366 -9.076 1.00 0.00 O ATOM 1642 CB VAL A 108 13.052 -1.509 -6.004 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.614 -2.726 -6.726 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.110 -0.883 -5.106 1.00 0.00 C ATOM 0 H VAL A 108 11.912 0.608 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 108 13.337 -0.134 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 108 12.221 -1.840 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.987 -3.443 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.828 -3.191 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.430 -2.417 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.478 -1.630 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.937 -0.521 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.673 -0.050 -4.555 1.00 0.00 H new ATOM 1654 N LEU A 109 10.276 -1.366 -7.306 1.00 0.00 N ATOM 1655 CA LEU A 109 9.191 -2.035 -8.019 1.00 0.00 C ATOM 1656 C LEU A 109 8.675 -1.176 -9.173 1.00 0.00 C ATOM 1657 O LEU A 109 8.354 -1.691 -10.247 1.00 0.00 O ATOM 1658 CB LEU A 109 8.049 -2.371 -7.057 1.00 0.00 C ATOM 1659 CG LEU A 109 8.421 -3.324 -5.917 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.222 -3.568 -5.017 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.950 -4.641 -6.469 1.00 0.00 C ATOM 0 H LEU A 109 10.055 -1.113 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 109 9.585 -2.961 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.672 -1.443 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.232 -2.813 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 109 9.210 -2.860 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.503 -4.247 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.887 -2.622 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.414 -4.011 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.209 -5.304 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.184 -5.111 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.837 -4.452 -7.074 1.00 0.00 H new ATOM 1673 N ALA A 110 8.614 0.133 -8.954 1.00 0.00 N ATOM 1674 CA ALA A 110 8.165 1.061 -9.986 1.00 0.00 C ATOM 1675 C ALA A 110 9.157 1.106 -11.143 1.00 0.00 C ATOM 1676 O ALA A 110 8.785 1.390 -12.283 1.00 0.00 O ATOM 1677 CB ALA A 110 7.965 2.453 -9.406 1.00 0.00 C ATOM 0 H ALA A 110 8.870 0.576 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 110 7.208 0.704 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.630 3.130 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.214 2.414 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.907 2.814 -8.993 1.00 0.00 H new ATOM 1683 N SER A 111 10.420 0.818 -10.848 1.00 0.00 N ATOM 1684 CA SER A 111 11.455 0.784 -11.871 1.00 0.00 C ATOM 1685 C SER A 111 11.334 -0.481 -12.717 1.00 0.00 C ATOM 1686 O SER A 111 11.639 -0.469 -13.911 1.00 0.00 O ATOM 1687 CB SER A 111 12.845 0.867 -11.233 1.00 0.00 C ATOM 1688 OG SER A 111 13.009 2.093 -10.538 1.00 0.00 O ATOM 0 H SER A 111 10.751 0.605 -9.907 1.00 0.00 H new ATOM 0 HA SER A 111 11.320 1.648 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.985 0.033 -10.546 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.610 0.776 -12.004 1.00 0.00 H new ATOM 0 HG SER A 111 12.843 1.952 -9.582 1.00 0.00 H new ATOM 1694 N GLU A 112 10.873 -1.567 -12.102 1.00 0.00 N ATOM 1695 CA GLU A 112 10.648 -2.816 -12.823 1.00 0.00 C ATOM 1696 C GLU A 112 9.448 -2.674 -13.757 1.00 0.00 C ATOM 1697 O GLU A 112 9.456 -3.173 -14.883 1.00 0.00 O ATOM 1698 CB GLU A 112 10.408 -3.969 -11.840 1.00 0.00 C ATOM 1699 CG GLU A 112 10.193 -5.314 -12.518 1.00 0.00 C ATOM 1700 CD GLU A 112 9.681 -6.380 -11.568 1.00 0.00 C ATOM 1701 OE1 GLU A 112 8.453 -6.490 -11.403 1.00 0.00 O ATOM 1702 OE2 GLU A 112 10.503 -7.116 -10.980 1.00 0.00 O ATOM 0 H GLU A 112 10.648 -1.607 -11.108 1.00 0.00 H new ATOM 0 HA GLU A 112 11.537 -3.038 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.261 -4.044 -11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.537 -3.737 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.483 -5.193 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.133 -5.648 -12.958 1.00 0.00 H new ATOM 1709 N GLY A 113 8.431 -1.963 -13.288 1.00 0.00 N ATOM 1710 CA GLY A 113 7.223 -1.790 -14.073 1.00 0.00 C ATOM 1711 C GLY A 113 6.094 -2.660 -13.565 1.00 0.00 C ATOM 1712 O GLY A 113 5.051 -2.779 -14.207 1.00 0.00 O ATOM 0 H GLY A 113 8.420 -1.503 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.917 -0.744 -14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.429 -2.033 -15.115 1.00 0.00 H new ATOM 1716 N ARG A 114 6.306 -3.267 -12.404 1.00 0.00 N ATOM 1717 CA ARG A 114 5.308 -4.132 -11.794 1.00 0.00 C ATOM 1718 C ARG A 114 4.109 -3.305 -11.339 1.00 0.00 C ATOM 1719 O ARG A 114 4.271 -2.177 -10.867 1.00 0.00 O ATOM 1720 CB ARG A 114 5.921 -4.874 -10.600 1.00 0.00 C ATOM 1721 CG ARG A 114 5.105 -6.063 -10.117 1.00 0.00 C ATOM 1722 CD ARG A 114 5.771 -6.754 -8.934 1.00 0.00 C ATOM 1723 NE ARG A 114 7.160 -7.113 -9.220 1.00 0.00 N ATOM 1724 CZ ARG A 114 7.961 -7.765 -8.379 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.504 -8.204 -7.210 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.223 -7.989 -8.720 1.00 0.00 N ATOM 0 H ARG A 114 7.166 -3.174 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 114 4.972 -4.863 -12.530 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.918 -5.220 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.043 -4.172 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.108 -5.729 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.980 -6.775 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.738 -6.097 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.210 -7.652 -8.676 1.00 0.00 H new ATOM 0 HE ARG A 114 7.542 -6.845 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.531 -8.043 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.126 -8.702 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.574 -7.663 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.843 -8.488 -8.082 1.00 0.00 H new ATOM 1740 N ARG A 115 2.912 -3.855 -11.502 1.00 0.00 N ATOM 1741 CA ARG A 115 1.689 -3.192 -11.056 1.00 0.00 C ATOM 1742 C ARG A 115 1.660 -3.120 -9.529 1.00 0.00 C ATOM 1743 O ARG A 115 1.125 -4.004 -8.855 1.00 0.00 O ATOM 1744 CB ARG A 115 0.460 -3.943 -11.591 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.883 -3.370 -11.154 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.146 -1.990 -11.740 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.503 -1.529 -11.438 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.001 -0.346 -11.806 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -2.256 0.523 -12.481 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -4.254 -0.034 -11.502 1.00 0.00 N ATOM 0 H ARG A 115 2.760 -4.763 -11.942 1.00 0.00 H new ATOM 0 HA ARG A 115 1.668 -2.175 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.500 -3.946 -12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.518 -4.982 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.680 -4.048 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.913 -3.311 -10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.422 -1.280 -11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.002 -2.019 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.110 -2.156 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.293 0.289 -12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.647 1.424 -12.757 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.834 -0.697 -10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.637 0.869 -11.782 1.00 0.00 H new ATOM 1764 N VAL A 116 2.273 -2.079 -8.990 1.00 0.00 N ATOM 1765 CA VAL A 116 2.403 -1.927 -7.555 1.00 0.00 C ATOM 1766 C VAL A 116 1.443 -0.871 -7.024 1.00 0.00 C ATOM 1767 O VAL A 116 1.256 0.186 -7.629 1.00 0.00 O ATOM 1768 CB VAL A 116 3.858 -1.572 -7.159 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.322 -0.292 -7.839 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.002 -1.456 -5.647 1.00 0.00 C ATOM 0 H VAL A 116 2.691 -1.322 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 116 2.146 -2.885 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 116 4.497 -2.386 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.347 -0.072 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.279 -0.419 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.673 0.532 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.033 -1.206 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.340 -0.673 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.736 -2.406 -5.182 1.00 0.00 H new ATOM 1780 N ALA A 117 0.814 -1.181 -5.904 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.050 -0.241 -5.229 1.00 0.00 C ATOM 1782 C ALA A 117 0.554 0.127 -3.885 1.00 0.00 C ATOM 1783 O ALA A 117 0.756 -0.737 -3.029 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.443 -0.829 -5.051 1.00 0.00 C ATOM 0 H ALA A 117 0.890 -2.087 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.142 0.660 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.080 -0.107 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.868 -1.061 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.380 -1.741 -4.457 1.00 0.00 H new ATOM 1790 N LEU A 118 0.865 1.401 -3.705 1.00 0.00 N ATOM 1791 CA LEU A 118 1.436 1.864 -2.453 1.00 0.00 C ATOM 1792 C LEU A 118 0.317 2.222 -1.491 1.00 0.00 C ATOM 1793 O LEU A 118 -0.243 3.317 -1.553 1.00 0.00 O ATOM 1794 CB LEU A 118 2.344 3.081 -2.684 1.00 0.00 C ATOM 1795 CG LEU A 118 3.090 3.592 -1.447 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.038 2.528 -0.916 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.856 4.871 -1.766 1.00 0.00 C ATOM 0 H LEU A 118 0.732 2.129 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 118 2.043 1.066 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.077 2.825 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.738 3.894 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 118 2.352 3.816 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.558 2.910 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.470 1.638 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.766 2.272 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.378 5.215 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.581 4.674 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.158 5.640 -2.097 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.035 1.273 -0.637 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.025 1.505 0.397 1.00 0.00 C ATOM 1811 C ALA A 119 -0.342 2.133 1.596 1.00 0.00 C ATOM 1812 O ALA A 119 0.090 1.444 2.523 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.730 0.211 0.778 1.00 0.00 C ATOM 0 H ALA A 119 0.354 0.330 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.790 2.185 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.467 0.413 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.230 -0.202 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.998 -0.506 1.150 1.00 0.00 H new ATOM 1819 N MET A 120 -0.208 3.440 1.544 1.00 0.00 N ATOM 1820 CA MET A 120 0.563 4.165 2.528 1.00 0.00 C ATOM 1821 C MET A 120 -0.319 4.563 3.699 1.00 0.00 C ATOM 1822 O MET A 120 -1.051 5.548 3.622 1.00 0.00 O ATOM 1823 CB MET A 120 1.180 5.404 1.885 1.00 0.00 C ATOM 1824 CG MET A 120 2.499 5.828 2.503 1.00 0.00 C ATOM 1825 SD MET A 120 3.801 4.613 2.231 1.00 0.00 S ATOM 1826 CE MET A 120 5.238 5.556 2.717 1.00 0.00 C ATOM 0 H MET A 120 -0.628 4.027 0.823 1.00 0.00 H new ATOM 0 HA MET A 120 1.361 3.522 2.900 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.333 5.212 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.473 6.230 1.960 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.804 6.786 2.081 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.364 5.980 3.574 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.103 4.896 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.427 6.337 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.062 6.012 3.691 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.270 3.775 4.758 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.033 4.061 5.959 1.00 0.00 C ATOM 1838 C ILE A 121 -0.198 4.910 6.904 1.00 0.00 C ATOM 1839 O ILE A 121 0.632 4.400 7.656 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.480 2.766 6.677 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.337 1.916 5.732 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.247 3.091 7.957 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.875 0.649 6.360 1.00 0.00 C ATOM 0 H ILE A 121 0.294 2.927 4.810 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.931 4.604 5.664 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.593 2.197 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.174 2.517 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.742 1.652 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.551 2.165 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.607 3.662 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.131 3.679 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.470 0.104 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.044 0.025 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.499 0.904 7.217 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.390 6.212 6.833 1.00 0.00 N ATOM 1856 CA VAL A 122 0.382 7.131 7.644 1.00 0.00 C ATOM 1857 C VAL A 122 -0.323 7.403 8.964 1.00 0.00 C ATOM 1858 O VAL A 122 -1.532 7.628 8.998 1.00 0.00 O ATOM 1859 CB VAL A 122 0.623 8.459 6.899 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.558 9.364 7.687 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.177 8.187 5.509 1.00 0.00 C ATOM 0 H VAL A 122 -1.074 6.657 6.222 1.00 0.00 H new ATOM 0 HA VAL A 122 1.347 6.665 7.845 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.331 8.976 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.711 10.294 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.118 9.584 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.516 8.863 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.343 9.132 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.121 7.648 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.464 7.585 4.945 1.00 0.00 H new ATOM 1871 N GLY A 123 0.437 7.349 10.049 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.109 7.646 11.355 1.00 0.00 C ATOM 1873 C GLY A 123 0.284 9.030 11.826 1.00 0.00 C ATOM 1874 O GLY A 123 0.459 9.940 11.018 1.00 0.00 O ATOM 0 H GLY A 123 1.427 7.103 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -1.196 7.568 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.241 6.904 12.073 1.00 0.00 H new