USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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 414 LYS NZ :NH3+ -139:sc= 0.0686 (180deg=-5.06!) USER MOD Set 1.2: B 97 GLN : amide:sc= -7.51! C(o=-9.1!,f=-23!) USER MOD Set 1.3: B 98 GLN : amide:sc= -1.7! C(o=-9.1!,f=-17!) USER MOD Set 2.1: B 81 ASN : amide:sc= 1.6 K(o=2.6,f=-2.1) USER MOD Set 2.2: B 83 SER OG : rot 85:sc= 1.03 USER MOD Set 3.1: B 66 GLN : amide:sc= 0.652 K(o=-2.6,f=-3.2) USER MOD Set 3.2: B 76 ASN : amide:sc= -3.29! C(o=-2.6!,f=-3.2!) USER MOD Set 4.1: B 56 SER OG : rot 128:sc= 0.82! USER MOD Set 4.2: B 64 GLN : amide:sc= -0.489 K(o=0.33,f=-2.1!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.01! C(o=-1.3!,f=-2.7!) USER MOD Set 5.2: B 75 THR OG1 : rot -136:sc= 0.721 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -143:sc= 1.09 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 130:sc= 0.93 USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= 1.21 (180deg=-0.724) USER MOD Single : B 17 GLN : amide:sc= 0.172 K(o=0.17,f=-0.36) USER MOD Single : B 18 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.11) USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= -0.145 (180deg=-0.458) USER MOD Single : B 20 GLN : amide:sc= -0.514! X(o=-0.51!,f=-0.22) USER MOD Single : B 27 MET CE :methyl -147:sc= 0 (180deg=-0.015) USER MOD Single : B 42 THR OG1 : rot -11:sc= 0.454 USER MOD Single : B 44 SER OG : rot -160:sc= 0.571 USER MOD Single : B 46 MET CE :methyl 153:sc= -0.193 (180deg=-0.841) USER MOD Single : B 47 TYR OH : rot 151:sc= 0.802 USER MOD Single : B 51 LYS NZ :NH3+ 179:sc= 1.34 (180deg=1.32) USER MOD Single : B 52 CYS SG : rot 124:sc= 1.11 USER MOD Single : B 53 GLN : amide:sc= -6.64! C(o=-6.6!,f=-6.3!) USER MOD Single : B 54 LYS NZ :NH3+ 160:sc= 0.0875 (180deg=-2.25!) USER MOD Single : B 60 LYS NZ :NH3+ -166:sc= -0.315 (180deg=-0.95!) USER MOD Single : B 62 LYS NZ :NH3+ -165:sc= -0.0554 (180deg=-0.334) USER MOD Single : B 70 HIS : no HD1:sc= 0.644 K(o=0.64,f=-2.5!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-7.7!) USER MOD Single : B 80 SER OG : rot 130:sc= -1.22 USER MOD Single : B 84 THR OG1 : rot 36:sc= 1.19 USER MOD Single : B 87 LYS NZ :NH3+ -157:sc= 1.87 (180deg=0.631) USER MOD Single : B 93 LYS NZ :NH3+ -141:sc= 2.06 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.949 9.769 11.507 1.00 0.00 N ATOM 230 CA ASP A 405 9.575 8.373 11.725 1.00 0.00 C ATOM 231 C ASP A 405 8.754 8.148 12.994 1.00 0.00 C ATOM 232 O ASP A 405 8.585 7.008 13.430 1.00 0.00 O ATOM 233 CB ASP A 405 10.835 7.495 11.774 1.00 0.00 C ATOM 234 CG ASP A 405 11.748 7.685 10.572 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.261 7.601 9.423 1.00 0.00 O ATOM 236 OD2 ASP A 405 12.961 7.922 10.773 1.00 0.00 O ATOM 0 HA ASP A 405 8.940 8.094 10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.392 7.721 12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.538 6.448 11.834 1.00 0.00 H new ATOM 241 N GLU A 406 8.225 9.207 13.576 1.00 0.00 N ATOM 242 CA GLU A 406 7.432 9.071 14.780 1.00 0.00 C ATOM 243 C GLU A 406 6.031 9.616 14.561 1.00 0.00 C ATOM 244 O GLU A 406 5.776 10.294 13.570 1.00 0.00 O ATOM 245 CB GLU A 406 8.127 9.770 15.962 1.00 0.00 C ATOM 246 CG GLU A 406 7.552 11.128 16.352 1.00 0.00 C ATOM 247 CD GLU A 406 7.994 12.249 15.435 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.415 11.963 14.296 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.879 13.425 15.831 1.00 0.00 O ATOM 0 H GLU A 406 8.329 10.163 13.237 1.00 0.00 H new ATOM 0 HA GLU A 406 7.342 8.012 15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 406 8.079 9.112 16.830 1.00 0.00 H new ATOM 0 HB3 GLU A 406 9.181 9.898 15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 406 6.464 11.070 16.345 1.00 0.00 H new ATOM 0 HG3 GLU A 406 7.853 11.363 17.373 1.00 0.00 H new ATOM 256 N ASP A 407 5.129 9.277 15.474 1.00 0.00 N ATOM 257 CA ASP A 407 3.753 9.726 15.433 1.00 0.00 C ATOM 258 C ASP A 407 3.026 9.249 14.186 1.00 0.00 C ATOM 259 O ASP A 407 2.741 10.026 13.282 1.00 0.00 O ATOM 260 CB ASP A 407 3.644 11.242 15.583 1.00 0.00 C ATOM 261 CG ASP A 407 2.220 11.690 15.852 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.916 12.877 15.609 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.408 10.855 16.307 1.00 0.00 O ATOM 0 H ASP A 407 5.340 8.676 16.270 1.00 0.00 H new ATOM 0 HA ASP A 407 3.258 9.270 16.290 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.287 11.572 16.399 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.009 11.722 14.675 1.00 0.00 H new ATOM 268 N PHE A 408 2.815 7.942 14.110 1.00 0.00 N ATOM 269 CA PHE A 408 2.048 7.352 13.039 1.00 0.00 C ATOM 270 C PHE A 408 0.891 6.644 13.689 1.00 0.00 C ATOM 271 O PHE A 408 1.073 5.809 14.577 1.00 0.00 O ATOM 272 CB PHE A 408 2.864 6.361 12.194 1.00 0.00 C ATOM 273 CG PHE A 408 3.894 6.991 11.303 1.00 0.00 C ATOM 274 CD1 PHE A 408 4.959 7.693 11.832 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.793 6.871 9.930 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.901 8.270 11.007 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.732 7.443 9.100 1.00 0.00 C ATOM 278 CZ PHE A 408 5.786 8.145 9.639 1.00 0.00 C ATOM 0 H PHE A 408 3.172 7.270 14.789 1.00 0.00 H new ATOM 0 HA PHE A 408 1.724 8.132 12.350 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.363 5.660 12.863 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.178 5.780 11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.055 7.791 12.903 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.967 6.322 9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.728 8.819 11.432 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.641 7.341 8.029 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.522 8.597 8.991 1.00 0.00 H new ATOM 288 N VAL A 409 -0.286 6.977 13.244 1.00 0.00 N ATOM 289 CA VAL A 409 -1.480 6.416 13.786 1.00 0.00 C ATOM 290 C VAL A 409 -1.760 5.107 13.118 1.00 0.00 C ATOM 291 O VAL A 409 -1.885 5.031 11.901 1.00 0.00 O ATOM 292 CB VAL A 409 -2.612 7.435 13.660 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.304 8.505 14.639 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.690 8.056 12.301 1.00 0.00 C ATOM 0 H VAL A 409 -0.441 7.648 12.492 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.374 6.200 14.849 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.565 6.935 13.836 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.080 9.269 14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.265 8.080 15.642 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.340 8.953 14.397 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.513 8.770 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.755 8.571 12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.859 7.279 11.555 1.00 0.00 H new ATOM 304 N GLU A 410 -1.806 4.070 13.928 1.00 0.00 N ATOM 305 CA GLU A 410 -1.992 2.739 13.421 1.00 0.00 C ATOM 306 C GLU A 410 -3.240 2.638 12.567 1.00 0.00 C ATOM 307 O GLU A 410 -4.345 2.986 12.987 1.00 0.00 O ATOM 308 CB GLU A 410 -2.036 1.713 14.543 1.00 0.00 C ATOM 309 CG GLU A 410 -1.749 0.303 14.055 1.00 0.00 C ATOM 310 CD GLU A 410 -0.438 -0.239 14.587 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.141 -0.037 15.784 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.332 -0.833 13.802 1.00 0.00 O ATOM 0 H GLU A 410 -1.716 4.130 14.942 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.130 2.518 12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.308 1.984 15.308 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.018 1.738 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.562 -0.356 14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.726 0.297 12.965 1.00 0.00 H new ATOM 319 N VAL A 411 -3.030 2.171 11.364 1.00 0.00 N ATOM 320 CA VAL A 411 -4.075 1.989 10.403 1.00 0.00 C ATOM 321 C VAL A 411 -4.540 0.540 10.428 1.00 0.00 C ATOM 322 O VAL A 411 -3.756 -0.387 10.177 1.00 0.00 O ATOM 323 CB VAL A 411 -3.609 2.368 8.987 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.800 2.532 8.075 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.812 3.628 9.025 1.00 0.00 C ATOM 0 H VAL A 411 -2.107 1.902 11.022 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.903 2.647 10.668 1.00 0.00 H new ATOM 0 HB VAL A 411 -2.978 1.568 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.459 2.800 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.355 1.595 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.448 3.319 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.489 3.885 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.426 4.435 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.938 3.487 9.661 1.00 0.00 H new ATOM 335 N PRO A 412 -5.808 0.336 10.787 1.00 0.00 N ATOM 336 CA PRO A 412 -6.424 -0.987 10.861 1.00 0.00 C ATOM 337 C PRO A 412 -6.994 -1.421 9.519 1.00 0.00 C ATOM 338 O PRO A 412 -7.015 -0.640 8.570 1.00 0.00 O ATOM 339 CB PRO A 412 -7.562 -0.741 11.845 1.00 0.00 C ATOM 340 CG PRO A 412 -8.012 0.638 11.502 1.00 0.00 C ATOM 341 CD PRO A 412 -6.758 1.398 11.171 1.00 0.00 C ATOM 0 HA PRO A 412 -5.723 -1.770 11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.364 -1.469 11.724 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.223 -0.809 12.879 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.700 0.628 10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.541 1.098 12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.920 2.106 10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.397 1.970 12.026 1.00 0.00 H new ATOM 349 N GLU A 413 -7.450 -2.661 9.445 1.00 0.00 N ATOM 350 CA GLU A 413 -8.057 -3.176 8.229 1.00 0.00 C ATOM 351 C GLU A 413 -9.535 -2.799 8.215 1.00 0.00 C ATOM 352 O GLU A 413 -10.112 -2.527 9.269 1.00 0.00 O ATOM 353 CB GLU A 413 -7.913 -4.693 8.158 1.00 0.00 C ATOM 354 CG GLU A 413 -6.480 -5.189 8.245 1.00 0.00 C ATOM 355 CD GLU A 413 -6.421 -6.670 8.541 1.00 0.00 C ATOM 356 OE1 GLU A 413 -6.305 -7.037 9.724 1.00 0.00 O ATOM 357 OE2 GLU A 413 -6.543 -7.476 7.595 1.00 0.00 O ATOM 0 H GLU A 413 -7.411 -3.330 10.214 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.552 -2.742 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.490 -5.139 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -8.351 -5.045 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.966 -4.984 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.951 -4.640 9.024 1.00 0.00 H new ATOM 364 N LYS A 414 -10.143 -2.756 7.038 1.00 0.00 N ATOM 365 CA LYS A 414 -11.555 -2.406 6.950 1.00 0.00 C ATOM 366 C LYS A 414 -12.398 -3.534 6.374 1.00 0.00 C ATOM 367 O LYS A 414 -13.528 -3.742 6.811 1.00 0.00 O ATOM 368 CB LYS A 414 -11.744 -1.141 6.130 1.00 0.00 C ATOM 369 CG LYS A 414 -11.736 0.115 6.978 1.00 0.00 C ATOM 370 CD LYS A 414 -10.874 1.181 6.350 1.00 0.00 C ATOM 371 CE LYS A 414 -11.496 1.713 5.080 1.00 0.00 C ATOM 372 NZ LYS A 414 -10.505 2.405 4.220 1.00 0.00 N ATOM 0 H LYS A 414 -9.692 -2.955 6.145 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.900 -2.229 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.952 -1.075 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.688 -1.202 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.754 0.487 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.365 -0.117 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.730 1.998 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.888 0.772 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.945 0.890 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.301 2.403 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -10.933 3.263 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -9.674 2.666 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.212 1.771 3.449 1.00 0.00 H new ATOM 786 N VAL B 8 -0.670 -2.344 -11.264 1.00 0.00 N ATOM 787 CA VAL B 8 -0.564 -1.280 -10.282 1.00 0.00 C ATOM 788 C VAL B 8 -1.943 -0.710 -9.975 1.00 0.00 C ATOM 789 O VAL B 8 -2.536 -0.011 -10.794 1.00 0.00 O ATOM 790 CB VAL B 8 0.365 -0.146 -10.764 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.732 0.771 -9.611 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.617 -0.712 -11.419 1.00 0.00 C ATOM 0 HA VAL B 8 -0.132 -1.711 -9.379 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.173 0.439 -11.510 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.387 1.564 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.174 1.211 -9.193 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.246 0.198 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.256 0.107 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.158 -1.326 -10.699 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.335 -1.322 -12.277 1.00 0.00 H new ATOM 802 N LEU B 9 -2.441 -1.009 -8.787 1.00 0.00 N ATOM 803 CA LEU B 9 -3.759 -0.552 -8.371 1.00 0.00 C ATOM 804 C LEU B 9 -3.736 0.914 -7.954 1.00 0.00 C ATOM 805 O LEU B 9 -4.704 1.640 -8.170 1.00 0.00 O ATOM 806 CB LEU B 9 -4.281 -1.408 -7.215 1.00 0.00 C ATOM 807 CG LEU B 9 -4.345 -2.914 -7.486 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.993 -3.634 -6.315 1.00 0.00 C ATOM 809 CD2 LEU B 9 -5.106 -3.201 -8.772 1.00 0.00 C ATOM 0 H LEU B 9 -1.951 -1.569 -8.090 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.426 -0.654 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.646 -1.240 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.280 -1.061 -6.951 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.326 -3.284 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.032 -4.704 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.408 -3.460 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.005 -3.256 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.138 -4.277 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.122 -2.817 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.603 -2.715 -9.608 1.00 0.00 H new ATOM 821 N LEU B 10 -2.639 1.350 -7.349 1.00 0.00 N ATOM 822 CA LEU B 10 -2.541 2.737 -6.904 1.00 0.00 C ATOM 823 C LEU B 10 -1.182 3.337 -7.232 1.00 0.00 C ATOM 824 O LEU B 10 -0.152 2.689 -7.063 1.00 0.00 O ATOM 825 CB LEU B 10 -2.800 2.818 -5.405 1.00 0.00 C ATOM 826 CG LEU B 10 -3.186 4.204 -4.886 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.610 4.562 -5.281 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.031 4.264 -3.382 1.00 0.00 C ATOM 0 H LEU B 10 -1.817 0.777 -7.157 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.296 3.315 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.596 2.118 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.905 2.487 -4.879 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.515 4.932 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.856 5.552 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.697 4.561 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.299 3.829 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.309 5.256 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.678 3.518 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.994 4.061 -3.115 1.00 0.00 H new ATOM 840 N ILE B 11 -1.188 4.583 -7.690 1.00 0.00 N ATOM 841 CA ILE B 11 0.042 5.277 -8.043 1.00 0.00 C ATOM 842 C ILE B 11 0.141 6.616 -7.316 1.00 0.00 C ATOM 843 O ILE B 11 -0.650 7.526 -7.560 1.00 0.00 O ATOM 844 CB ILE B 11 0.140 5.524 -9.567 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.121 4.194 -10.323 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.402 6.312 -9.902 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.130 4.347 -11.829 1.00 0.00 C ATOM 0 H ILE B 11 -2.035 5.134 -7.826 1.00 0.00 H new ATOM 0 HA ILE B 11 0.866 4.633 -7.737 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.723 6.112 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.986 3.603 -10.022 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.766 3.633 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.454 6.476 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.377 7.274 -9.389 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.278 5.750 -9.578 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.116 3.362 -12.295 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.749 4.910 -12.143 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.030 4.880 -12.135 1.00 0.00 H new ATOM 859 N VAL B 12 1.106 6.715 -6.415 1.00 0.00 N ATOM 860 CA VAL B 12 1.346 7.938 -5.659 1.00 0.00 C ATOM 861 C VAL B 12 2.714 8.490 -6.033 1.00 0.00 C ATOM 862 O VAL B 12 3.725 7.793 -5.915 1.00 0.00 O ATOM 863 CB VAL B 12 1.293 7.690 -4.141 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.567 8.977 -3.383 1.00 0.00 C ATOM 865 CG2 VAL B 12 -0.056 7.113 -3.747 1.00 0.00 C ATOM 0 H VAL B 12 1.744 5.953 -6.186 1.00 0.00 H new ATOM 0 HA VAL B 12 0.561 8.653 -5.908 1.00 0.00 H new ATOM 0 HB VAL B 12 2.066 6.968 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.526 8.784 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.556 9.351 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.816 9.722 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.079 6.943 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.845 7.813 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.213 6.168 -4.267 1.00 0.00 H new ATOM 875 N LYS B 13 2.751 9.725 -6.498 1.00 0.00 N ATOM 876 CA LYS B 13 4.006 10.339 -6.901 1.00 0.00 C ATOM 877 C LYS B 13 4.605 11.144 -5.758 1.00 0.00 C ATOM 878 O LYS B 13 3.922 11.435 -4.780 1.00 0.00 O ATOM 879 CB LYS B 13 3.803 11.221 -8.135 1.00 0.00 C ATOM 880 CG LYS B 13 3.881 10.449 -9.446 1.00 0.00 C ATOM 881 CD LYS B 13 5.185 9.672 -9.543 1.00 0.00 C ATOM 882 CE LYS B 13 5.333 8.962 -10.880 1.00 0.00 C ATOM 883 NZ LYS B 13 6.637 8.251 -10.983 1.00 0.00 N ATOM 0 H LYS B 13 1.931 10.322 -6.606 1.00 0.00 H new ATOM 0 HA LYS B 13 4.706 9.544 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.832 11.711 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.557 12.008 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.038 9.762 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.802 11.140 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.024 10.354 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.230 8.939 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.518 8.249 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.249 9.688 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.997 8.325 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.320 8.682 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.506 7.249 -10.737 1.00 0.00 H new ATOM 897 N LYS B 14 5.881 11.505 -5.905 1.00 0.00 N ATOM 898 CA LYS B 14 6.601 12.263 -4.894 1.00 0.00 C ATOM 899 C LYS B 14 6.511 11.606 -3.520 1.00 0.00 C ATOM 900 O LYS B 14 5.776 12.057 -2.644 1.00 0.00 O ATOM 901 CB LYS B 14 6.075 13.690 -4.850 1.00 0.00 C ATOM 902 CG LYS B 14 6.816 14.653 -5.761 1.00 0.00 C ATOM 903 CD LYS B 14 8.208 14.955 -5.226 1.00 0.00 C ATOM 904 CE LYS B 14 8.509 16.448 -5.244 1.00 0.00 C ATOM 905 NZ LYS B 14 7.601 17.209 -4.345 1.00 0.00 N ATOM 0 H LYS B 14 6.439 11.278 -6.728 1.00 0.00 H new ATOM 0 HA LYS B 14 7.656 12.279 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.020 13.686 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.136 14.057 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.893 14.226 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.250 15.580 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.295 14.579 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS B 14 8.950 14.427 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS B 14 9.543 16.613 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.412 16.825 -6.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.095 18.049 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.756 17.505 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.316 16.605 -3.548 1.00 0.00 H new ATOM 919 N VAL B 15 7.246 10.521 -3.354 1.00 0.00 N ATOM 920 CA VAL B 15 7.284 9.797 -2.093 1.00 0.00 C ATOM 921 C VAL B 15 8.731 9.593 -1.671 1.00 0.00 C ATOM 922 O VAL B 15 9.501 8.947 -2.375 1.00 0.00 O ATOM 923 CB VAL B 15 6.575 8.428 -2.190 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.621 7.697 -0.855 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.138 8.602 -2.652 1.00 0.00 C ATOM 0 H VAL B 15 7.831 10.117 -4.085 1.00 0.00 H new ATOM 0 HA VAL B 15 6.753 10.392 -1.350 1.00 0.00 H new ATOM 0 HB VAL B 15 7.104 7.824 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.115 6.736 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.659 7.534 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.122 8.297 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.655 7.627 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.600 9.228 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.126 9.076 -3.634 1.00 0.00 H new ATOM 935 N ARG B 16 9.096 10.146 -0.529 1.00 0.00 N ATOM 936 CA ARG B 16 10.456 10.037 -0.032 1.00 0.00 C ATOM 937 C ARG B 16 10.576 8.964 1.042 1.00 0.00 C ATOM 938 O ARG B 16 9.770 8.892 1.970 1.00 0.00 O ATOM 939 CB ARG B 16 10.934 11.381 0.519 1.00 0.00 C ATOM 940 CG ARG B 16 11.113 12.441 -0.551 1.00 0.00 C ATOM 941 CD ARG B 16 11.444 13.806 0.037 1.00 0.00 C ATOM 942 NE ARG B 16 12.792 13.866 0.603 1.00 0.00 N ATOM 943 CZ ARG B 16 13.915 13.806 -0.117 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.866 13.751 -1.443 1.00 0.00 N ATOM 945 NH2 ARG B 16 15.090 13.855 0.490 1.00 0.00 N ATOM 0 H ARG B 16 8.468 10.677 0.074 1.00 0.00 H new ATOM 0 HA ARG B 16 11.089 9.748 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.217 11.738 1.258 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.881 11.236 1.039 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.910 12.138 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.201 12.514 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG B 16 11.346 14.565 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.718 14.049 0.813 1.00 0.00 H new ATOM 0 HE ARG B 16 12.880 13.960 1.615 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.965 13.754 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.730 13.705 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG B 16 15.136 13.938 1.506 1.00 0.00 H new ATOM 0 HH22 ARG B 16 15.949 13.809 -0.058 1.00 0.00 H new ATOM 959 N GLN B 17 11.579 8.123 0.890 1.00 0.00 N ATOM 960 CA GLN B 17 11.851 7.062 1.835 1.00 0.00 C ATOM 961 C GLN B 17 13.227 7.293 2.455 1.00 0.00 C ATOM 962 O GLN B 17 14.241 7.023 1.817 1.00 0.00 O ATOM 963 CB GLN B 17 11.814 5.711 1.106 1.00 0.00 C ATOM 964 CG GLN B 17 11.430 4.518 1.972 1.00 0.00 C ATOM 965 CD GLN B 17 12.411 4.258 3.096 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.457 3.644 2.898 1.00 0.00 O ATOM 967 NE2 GLN B 17 12.066 4.707 4.287 1.00 0.00 N ATOM 0 H GLN B 17 12.229 8.157 0.105 1.00 0.00 H new ATOM 0 HA GLN B 17 11.098 7.057 2.623 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.108 5.782 0.279 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.796 5.523 0.672 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.440 4.687 2.394 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.361 3.629 1.345 1.00 0.00 H new ATOM 0 HE21 GLN B 17 11.188 5.212 4.407 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.677 4.549 5.088 1.00 0.00 H new ATOM 976 N LYS B 18 13.246 7.794 3.692 1.00 0.00 N ATOM 977 CA LYS B 18 14.488 8.062 4.419 1.00 0.00 C ATOM 978 C LYS B 18 15.533 8.791 3.570 1.00 0.00 C ATOM 979 O LYS B 18 16.569 8.220 3.226 1.00 0.00 O ATOM 980 CB LYS B 18 15.052 6.766 4.988 1.00 0.00 C ATOM 981 CG LYS B 18 14.558 6.440 6.393 1.00 0.00 C ATOM 982 CD LYS B 18 14.924 7.527 7.402 1.00 0.00 C ATOM 983 CE LYS B 18 13.791 8.529 7.579 1.00 0.00 C ATOM 984 NZ LYS B 18 13.956 9.364 8.799 1.00 0.00 N ATOM 0 H LYS B 18 12.402 8.025 4.217 1.00 0.00 H new ATOM 0 HA LYS B 18 14.241 8.736 5.239 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.790 5.944 4.322 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.140 6.830 5.002 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.476 6.313 6.375 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.985 5.490 6.715 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.159 7.069 8.363 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.822 8.047 7.068 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.742 9.176 6.703 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.843 7.995 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.228 10.106 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.857 8.767 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.898 9.804 8.794 1.00 0.00 H new ATOM 998 N LYS B 19 15.230 10.040 3.212 1.00 0.00 N ATOM 999 CA LYS B 19 16.123 10.871 2.409 1.00 0.00 C ATOM 1000 C LYS B 19 16.333 10.319 1.001 1.00 0.00 C ATOM 1001 O LYS B 19 17.442 10.351 0.469 1.00 0.00 O ATOM 1002 CB LYS B 19 17.453 11.010 3.132 1.00 0.00 C ATOM 1003 CG LYS B 19 17.532 12.203 4.064 1.00 0.00 C ATOM 1004 CD LYS B 19 17.635 13.507 3.293 1.00 0.00 C ATOM 1005 CE LYS B 19 17.723 14.703 4.227 1.00 0.00 C ATOM 1006 NZ LYS B 19 16.708 14.642 5.307 1.00 0.00 N ATOM 0 H LYS B 19 14.358 10.502 3.471 1.00 0.00 H new ATOM 0 HA LYS B 19 15.656 11.848 2.289 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.638 10.102 3.706 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.250 11.088 2.392 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.649 12.226 4.703 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.397 12.097 4.719 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.514 13.482 2.649 1.00 0.00 H new ATOM 0 HD3 LYS B 19 16.767 13.615 2.643 1.00 0.00 H new ATOM 0 HE2 LYS B 19 18.719 14.746 4.668 1.00 0.00 H new ATOM 0 HE3 LYS B 19 17.588 15.621 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 16.640 15.569 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.784 14.390 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.987 13.924 6.005 1.00 0.00 H new ATOM 1020 N GLN B 20 15.269 9.801 0.410 1.00 0.00 N ATOM 1021 CA GLN B 20 15.316 9.262 -0.944 1.00 0.00 C ATOM 1022 C GLN B 20 13.986 9.536 -1.628 1.00 0.00 C ATOM 1023 O GLN B 20 12.959 9.041 -1.183 1.00 0.00 O ATOM 1024 CB GLN B 20 15.584 7.752 -0.924 1.00 0.00 C ATOM 1025 CG GLN B 20 17.017 7.377 -0.580 1.00 0.00 C ATOM 1026 CD GLN B 20 17.152 5.951 -0.078 1.00 0.00 C ATOM 1027 OE1 GLN B 20 18.169 5.293 -0.299 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.138 5.469 0.625 1.00 0.00 N ATOM 0 H GLN B 20 14.351 9.741 0.851 1.00 0.00 H new ATOM 0 HA GLN B 20 16.128 9.744 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.915 7.285 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.337 7.338 -1.901 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.643 7.506 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.393 8.061 0.180 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.311 6.044 0.788 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.184 4.523 1.004 1.00 0.00 H new ATOM 1037 N ASP B 21 13.992 10.319 -2.697 1.00 0.00 N ATOM 1038 CA ASP B 21 12.747 10.642 -3.391 1.00 0.00 C ATOM 1039 C ASP B 21 12.378 9.557 -4.389 1.00 0.00 C ATOM 1040 O ASP B 21 13.248 8.863 -4.921 1.00 0.00 O ATOM 1041 CB ASP B 21 12.841 11.991 -4.101 1.00 0.00 C ATOM 1042 CG ASP B 21 11.609 12.843 -3.860 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.501 12.423 -4.250 1.00 0.00 O ATOM 1044 OD2 ASP B 21 11.749 13.927 -3.254 1.00 0.00 O ATOM 0 H ASP B 21 14.830 10.739 -3.100 1.00 0.00 H new ATOM 0 HA ASP B 21 11.964 10.702 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.725 12.524 -3.752 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.968 11.830 -5.172 1.00 0.00 H new ATOM 1049 N GLY B 22 11.088 9.420 -4.643 1.00 0.00 N ATOM 1050 CA GLY B 22 10.613 8.416 -5.565 1.00 0.00 C ATOM 1051 C GLY B 22 9.107 8.402 -5.669 1.00 0.00 C ATOM 1052 O GLY B 22 8.458 9.438 -5.532 1.00 0.00 O ATOM 0 H GLY B 22 10.356 9.992 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.042 8.599 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.962 7.435 -5.242 1.00 0.00 H new ATOM 1056 N ALA B 23 8.548 7.228 -5.903 1.00 0.00 N ATOM 1057 CA ALA B 23 7.109 7.081 -6.029 1.00 0.00 C ATOM 1058 C ALA B 23 6.649 5.754 -5.454 1.00 0.00 C ATOM 1059 O ALA B 23 7.344 4.742 -5.565 1.00 0.00 O ATOM 1060 CB ALA B 23 6.688 7.204 -7.484 1.00 0.00 C ATOM 0 H ALA B 23 9.071 6.359 -6.010 1.00 0.00 H new ATOM 0 HA ALA B 23 6.634 7.881 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.607 7.091 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.979 8.183 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.176 6.426 -8.071 1.00 0.00 H new ATOM 1066 N LEU B 24 5.475 5.763 -4.847 1.00 0.00 N ATOM 1067 CA LEU B 24 4.916 4.566 -4.247 1.00 0.00 C ATOM 1068 C LEU B 24 3.837 3.986 -5.148 1.00 0.00 C ATOM 1069 O LEU B 24 2.940 4.698 -5.602 1.00 0.00 O ATOM 1070 CB LEU B 24 4.337 4.873 -2.868 1.00 0.00 C ATOM 1071 CG LEU B 24 3.947 3.641 -2.057 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.175 2.988 -1.447 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.941 4.008 -0.978 1.00 0.00 C ATOM 0 H LEU B 24 4.888 6.592 -4.757 1.00 0.00 H new ATOM 0 HA LEU B 24 5.715 3.834 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.068 5.449 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.458 5.506 -2.990 1.00 0.00 H new ATOM 0 HG LEU B 24 3.480 2.922 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.874 2.112 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.858 2.685 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.676 3.698 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.675 3.116 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.380 4.747 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.046 4.424 -1.441 1.00 0.00 H new ATOM 1085 N TYR B 25 3.936 2.697 -5.408 1.00 0.00 N ATOM 1086 CA TYR B 25 2.981 2.017 -6.262 1.00 0.00 C ATOM 1087 C TYR B 25 2.324 0.856 -5.526 1.00 0.00 C ATOM 1088 O TYR B 25 2.997 -0.097 -5.127 1.00 0.00 O ATOM 1089 CB TYR B 25 3.676 1.503 -7.528 1.00 0.00 C ATOM 1090 CG TYR B 25 4.448 2.562 -8.288 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.824 2.688 -8.139 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.802 3.433 -9.157 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.533 3.650 -8.833 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.505 4.398 -9.855 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.870 4.503 -9.690 1.00 0.00 C ATOM 1096 OH TYR B 25 6.577 5.462 -10.385 1.00 0.00 O ATOM 0 H TYR B 25 4.673 2.096 -5.038 1.00 0.00 H new ATOM 0 HA TYR B 25 2.207 2.732 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.359 0.699 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.926 1.071 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.348 2.023 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.733 3.355 -9.290 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.602 3.733 -8.705 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.987 5.067 -10.527 1.00 0.00 H new ATOM 0 HH TYR B 25 6.340 5.418 -11.335 1.00 0.00 H new ATOM 1106 N LEU B 26 1.015 0.947 -5.327 1.00 0.00 N ATOM 1107 CA LEU B 26 0.280 -0.122 -4.670 1.00 0.00 C ATOM 1108 C LEU B 26 -0.041 -1.173 -5.704 1.00 0.00 C ATOM 1109 O LEU B 26 -0.621 -0.869 -6.746 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.008 0.376 -4.017 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.823 1.313 -2.825 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.018 1.227 -1.891 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.454 0.992 -2.076 1.00 0.00 C ATOM 0 H LEU B 26 0.445 1.745 -5.609 1.00 0.00 H new ATOM 0 HA LEU B 26 0.899 -0.532 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.602 0.891 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.587 -0.488 -3.691 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.748 2.332 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.870 1.901 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.922 1.513 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.121 0.205 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.562 1.673 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.413 -0.034 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.307 1.106 -2.745 1.00 0.00 H new ATOM 1125 N MET B 27 0.330 -2.400 -5.429 1.00 0.00 N ATOM 1126 CA MET B 27 0.118 -3.470 -6.373 1.00 0.00 C ATOM 1127 C MET B 27 -0.911 -4.456 -5.840 1.00 0.00 C ATOM 1128 O MET B 27 -1.163 -4.511 -4.636 1.00 0.00 O ATOM 1129 CB MET B 27 1.441 -4.167 -6.651 1.00 0.00 C ATOM 1130 CG MET B 27 2.648 -3.251 -6.490 1.00 0.00 C ATOM 1131 SD MET B 27 4.079 -3.791 -7.432 1.00 0.00 S ATOM 1132 CE MET B 27 3.631 -3.168 -9.043 1.00 0.00 C ATOM 0 H MET B 27 0.781 -2.682 -4.559 1.00 0.00 H new ATOM 0 HA MET B 27 -0.268 -3.057 -7.305 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.545 -5.017 -5.976 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.428 -4.565 -7.666 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.375 -2.243 -6.803 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.916 -3.196 -5.435 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.015 -3.838 -9.812 1.00 0.00 H new ATOM 0 HE2 MET B 27 2.545 -3.110 -9.122 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.059 -2.175 -9.181 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.478 -5.240 -6.746 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.517 -6.215 -6.416 1.00 0.00 C ATOM 1144 C ALA B 28 -2.157 -7.126 -5.238 1.00 0.00 C ATOM 1145 O ALA B 28 -3.008 -7.405 -4.384 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.840 -7.054 -7.642 1.00 0.00 C ATOM 0 H ALA B 28 -1.232 -5.220 -7.736 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.390 -5.643 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.614 -7.779 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.194 -6.406 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.943 -7.579 -7.970 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.913 -7.588 -5.176 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.506 -8.492 -4.107 1.00 0.00 C ATOM 1154 C GLU B 29 0.575 -7.891 -3.206 1.00 0.00 C ATOM 1155 O GLU B 29 0.981 -8.515 -2.212 1.00 0.00 O ATOM 1156 CB GLU B 29 0.010 -9.809 -4.701 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.805 -10.336 -5.879 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.241 -10.655 -5.512 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -3.163 -10.080 -6.130 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -2.463 -11.465 -4.590 1.00 0.00 O ATOM 0 H GLU B 29 -0.178 -7.355 -5.844 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.389 -8.670 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.041 -9.667 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.022 -10.566 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.796 -9.596 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.328 -11.234 -6.270 1.00 0.00 H new ATOM 1167 N ARG B 30 1.017 -6.674 -3.493 1.00 0.00 N ATOM 1168 CA ARG B 30 2.090 -6.087 -2.697 1.00 0.00 C ATOM 1169 C ARG B 30 2.163 -4.576 -2.829 1.00 0.00 C ATOM 1170 O ARG B 30 1.393 -3.963 -3.553 1.00 0.00 O ATOM 1171 CB ARG B 30 3.428 -6.693 -3.131 1.00 0.00 C ATOM 1172 CG ARG B 30 3.811 -6.360 -4.566 1.00 0.00 C ATOM 1173 CD ARG B 30 4.809 -7.360 -5.122 1.00 0.00 C ATOM 1174 NE ARG B 30 6.124 -6.761 -5.330 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.577 -6.369 -6.519 1.00 0.00 C ATOM 1176 NH1 ARG B 30 5.820 -6.493 -7.601 1.00 0.00 N ATOM 1177 NH2 ARG B 30 7.792 -5.843 -6.621 1.00 0.00 N ATOM 0 H ARG B 30 0.663 -6.087 -4.248 1.00 0.00 H new ATOM 0 HA ARG B 30 1.877 -6.312 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.212 -6.337 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.380 -7.776 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.917 -6.351 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.238 -5.358 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.899 -8.203 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.437 -7.756 -6.067 1.00 0.00 H new ATOM 0 HE ARG B 30 6.730 -6.636 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.884 -6.891 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.174 -6.190 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.375 -5.740 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.143 -5.542 -7.530 1.00 0.00 H new ATOM 1191 N ILE B 31 3.096 -3.992 -2.103 1.00 0.00 N ATOM 1192 CA ILE B 31 3.333 -2.563 -2.138 1.00 0.00 C ATOM 1193 C ILE B 31 4.814 -2.334 -2.408 1.00 0.00 C ATOM 1194 O ILE B 31 5.674 -2.901 -1.725 1.00 0.00 O ATOM 1195 CB ILE B 31 2.907 -1.867 -0.819 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.439 -0.430 -0.765 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.385 -2.661 0.389 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.958 0.353 0.438 1.00 0.00 C ATOM 0 H ILE B 31 3.714 -4.499 -1.469 1.00 0.00 H new ATOM 0 HA ILE B 31 2.726 -2.123 -2.930 1.00 0.00 H new ATOM 0 HB ILE B 31 1.818 -1.829 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.529 -0.456 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.138 0.094 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.075 -2.155 1.303 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.950 -3.660 0.363 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.472 -2.737 0.367 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.375 1.359 0.408 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.870 0.411 0.423 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.282 -0.147 1.351 1.00 0.00 H new ATOM 1210 N ALA B 32 5.119 -1.542 -3.417 1.00 0.00 N ATOM 1211 CA ALA B 32 6.500 -1.290 -3.764 1.00 0.00 C ATOM 1212 C ALA B 32 6.777 0.193 -3.948 1.00 0.00 C ATOM 1213 O ALA B 32 5.891 0.970 -4.312 1.00 0.00 O ATOM 1214 CB ALA B 32 6.874 -2.063 -5.018 1.00 0.00 C ATOM 0 H ALA B 32 4.435 -1.067 -4.005 1.00 0.00 H new ATOM 0 HA ALA B 32 7.118 -1.634 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.916 -1.866 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.739 -3.130 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.235 -1.748 -5.843 1.00 0.00 H new ATOM 1220 N TRP B 33 8.013 0.570 -3.680 1.00 0.00 N ATOM 1221 CA TRP B 33 8.451 1.943 -3.814 1.00 0.00 C ATOM 1222 C TRP B 33 9.737 1.983 -4.625 1.00 0.00 C ATOM 1223 O TRP B 33 10.648 1.180 -4.396 1.00 0.00 O ATOM 1224 CB TRP B 33 8.673 2.576 -2.435 1.00 0.00 C ATOM 1225 CG TRP B 33 9.207 3.976 -2.504 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.486 5.120 -2.677 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.578 4.377 -2.407 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.327 6.204 -2.711 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.613 5.775 -2.542 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.780 3.691 -2.219 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.799 6.498 -2.503 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.957 4.411 -2.178 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.959 5.803 -2.318 1.00 0.00 C ATOM 0 H TRP B 33 8.741 -0.070 -3.363 1.00 0.00 H new ATOM 0 HA TRP B 33 7.679 2.515 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.730 2.581 -1.889 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.367 1.957 -1.866 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.411 5.166 -2.773 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.038 7.174 -2.841 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.788 2.617 -2.108 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.803 7.572 -2.615 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.893 3.891 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.896 6.338 -2.279 1.00 0.00 H new ATOM 1244 N ALA B 34 9.805 2.901 -5.571 1.00 0.00 N ATOM 1245 CA ALA B 34 10.978 3.041 -6.413 1.00 0.00 C ATOM 1246 C ALA B 34 11.332 4.507 -6.583 1.00 0.00 C ATOM 1247 O ALA B 34 10.442 5.347 -6.723 1.00 0.00 O ATOM 1248 CB ALA B 34 10.735 2.399 -7.771 1.00 0.00 C ATOM 0 H ALA B 34 9.057 3.564 -5.776 1.00 0.00 H new ATOM 0 HA ALA B 34 11.813 2.533 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.624 2.512 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.517 1.339 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.889 2.885 -8.257 1.00 0.00 H new ATOM 1254 N PRO B 35 12.632 4.840 -6.542 1.00 0.00 N ATOM 1255 CA PRO B 35 13.092 6.215 -6.720 1.00 0.00 C ATOM 1256 C PRO B 35 12.678 6.748 -8.091 1.00 0.00 C ATOM 1257 O PRO B 35 12.772 6.038 -9.097 1.00 0.00 O ATOM 1258 CB PRO B 35 14.617 6.117 -6.597 1.00 0.00 C ATOM 1259 CG PRO B 35 14.938 4.674 -6.805 1.00 0.00 C ATOM 1260 CD PRO B 35 13.745 3.907 -6.313 1.00 0.00 C ATOM 0 HA PRO B 35 12.663 6.903 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.112 6.741 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.955 6.458 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.129 4.465 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.836 4.392 -6.256 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.610 2.975 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.841 3.644 -5.259 1.00 0.00 H new ATOM 1368 N THR B 42 13.194 -0.339 -4.864 1.00 0.00 N ATOM 1369 CA THR B 42 14.121 -0.594 -3.777 1.00 0.00 C ATOM 1370 C THR B 42 13.375 -1.176 -2.585 1.00 0.00 C ATOM 1371 O THR B 42 13.946 -1.880 -1.752 1.00 0.00 O ATOM 1372 CB THR B 42 14.845 0.698 -3.366 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.994 1.824 -3.619 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.150 0.858 -4.132 1.00 0.00 C ATOM 0 HA THR B 42 14.866 -1.312 -4.119 1.00 0.00 H new ATOM 0 HB THR B 42 15.077 0.642 -2.303 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.225 1.539 -4.155 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.643 1.780 -3.823 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.802 0.010 -3.922 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.942 0.899 -5.201 1.00 0.00 H new ATOM 1382 N ILE B 43 12.089 -0.872 -2.519 1.00 0.00 N ATOM 1383 CA ILE B 43 11.234 -1.365 -1.458 1.00 0.00 C ATOM 1384 C ILE B 43 10.136 -2.231 -2.055 1.00 0.00 C ATOM 1385 O ILE B 43 9.402 -1.784 -2.934 1.00 0.00 O ATOM 1386 CB ILE B 43 10.588 -0.211 -0.659 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.660 0.707 -0.059 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.684 -0.763 0.434 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.544 0.032 0.970 1.00 0.00 C ATOM 0 H ILE B 43 11.612 -0.279 -3.198 1.00 0.00 H new ATOM 0 HA ILE B 43 11.853 -1.947 -0.775 1.00 0.00 H new ATOM 0 HB ILE B 43 9.982 0.381 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.286 1.092 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.172 1.565 0.403 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.237 0.063 0.988 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.896 -1.367 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.271 -1.380 1.114 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.276 0.747 1.346 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.931 -0.329 1.796 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.062 -0.809 0.509 1.00 0.00 H new ATOM 1401 N SER B 44 10.038 -3.467 -1.598 1.00 0.00 N ATOM 1402 CA SER B 44 9.027 -4.384 -2.096 1.00 0.00 C ATOM 1403 C SER B 44 8.512 -5.265 -0.966 1.00 0.00 C ATOM 1404 O SER B 44 9.195 -6.189 -0.530 1.00 0.00 O ATOM 1405 CB SER B 44 9.608 -5.243 -3.228 1.00 0.00 C ATOM 1406 OG SER B 44 8.639 -6.139 -3.757 1.00 0.00 O ATOM 0 H SER B 44 10.648 -3.860 -0.881 1.00 0.00 H new ATOM 0 HA SER B 44 8.190 -3.808 -2.491 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.978 -4.596 -4.023 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.462 -5.809 -2.855 1.00 0.00 H new ATOM 0 HG SER B 44 9.092 -6.868 -4.230 1.00 0.00 H new ATOM 1412 N HIS B 45 7.312 -4.967 -0.491 1.00 0.00 N ATOM 1413 CA HIS B 45 6.705 -5.735 0.589 1.00 0.00 C ATOM 1414 C HIS B 45 5.372 -6.292 0.159 1.00 0.00 C ATOM 1415 O HIS B 45 4.540 -5.575 -0.395 1.00 0.00 O ATOM 1416 CB HIS B 45 6.494 -4.867 1.834 1.00 0.00 C ATOM 1417 CG HIS B 45 7.750 -4.490 2.552 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.497 -5.364 3.307 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.371 -3.291 2.643 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.525 -4.683 3.826 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.497 -3.417 3.451 1.00 0.00 N ATOM 0 H HIS B 45 6.738 -4.198 -0.836 1.00 0.00 H new ATOM 0 HA HIS B 45 7.387 -6.550 0.830 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.972 -3.956 1.541 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.842 -5.400 2.526 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.302 -6.355 3.446 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.044 -2.380 2.164 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.280 -5.113 4.468 1.00 0.00 H new ATOM 1429 N MET B 46 5.167 -7.569 0.398 1.00 0.00 N ATOM 1430 CA MET B 46 3.909 -8.187 0.069 1.00 0.00 C ATOM 1431 C MET B 46 2.985 -7.979 1.247 1.00 0.00 C ATOM 1432 O MET B 46 3.443 -7.860 2.383 1.00 0.00 O ATOM 1433 CB MET B 46 4.072 -9.679 -0.233 1.00 0.00 C ATOM 1434 CG MET B 46 4.814 -9.961 -1.528 1.00 0.00 C ATOM 1435 SD MET B 46 4.483 -11.610 -2.179 1.00 0.00 S ATOM 1436 CE MET B 46 2.749 -11.466 -2.608 1.00 0.00 C ATOM 0 H MET B 46 5.855 -8.195 0.818 1.00 0.00 H new ATOM 0 HA MET B 46 3.498 -7.733 -0.833 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.605 -10.152 0.592 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.086 -10.141 -0.281 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.530 -9.218 -2.273 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.885 -9.850 -1.359 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.515 -12.159 -3.417 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.138 -11.705 -1.738 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.538 -10.447 -2.931 1.00 0.00 H new ATOM 1446 N TYR B 47 1.696 -7.907 0.993 1.00 0.00 N ATOM 1447 CA TYR B 47 0.740 -7.698 2.078 1.00 0.00 C ATOM 1448 C TYR B 47 0.787 -8.858 3.071 1.00 0.00 C ATOM 1449 O TYR B 47 0.401 -8.715 4.228 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.675 -7.506 1.531 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.790 -6.351 0.561 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.252 -5.107 0.866 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.430 -6.505 -0.660 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.346 -4.052 -0.021 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.530 -5.454 -1.550 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.987 -4.230 -1.225 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.076 -3.184 -2.115 1.00 0.00 O ATOM 0 H TYR B 47 1.283 -7.988 0.064 1.00 0.00 H new ATOM 0 HA TYR B 47 1.022 -6.787 2.606 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.992 -8.422 1.033 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.360 -7.342 2.363 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.248 -4.962 1.812 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.857 -7.463 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.082 -3.092 0.230 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.032 -5.591 -2.497 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.111 -3.535 -3.029 1.00 0.00 H new ATOM 1467 N ALA B 48 1.309 -9.991 2.616 1.00 0.00 N ATOM 1468 CA ALA B 48 1.422 -11.180 3.450 1.00 0.00 C ATOM 1469 C ALA B 48 2.563 -11.046 4.458 1.00 0.00 C ATOM 1470 O ALA B 48 2.643 -11.813 5.416 1.00 0.00 O ATOM 1471 CB ALA B 48 1.627 -12.408 2.578 1.00 0.00 C ATOM 0 H ALA B 48 1.663 -10.111 1.667 1.00 0.00 H new ATOM 0 HA ALA B 48 0.494 -11.291 4.012 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.711 -13.293 3.209 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.778 -12.522 1.904 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.540 -12.291 1.994 1.00 0.00 H new ATOM 1477 N ASP B 49 3.444 -10.074 4.244 1.00 0.00 N ATOM 1478 CA ASP B 49 4.570 -9.856 5.149 1.00 0.00 C ATOM 1479 C ASP B 49 4.252 -8.721 6.111 1.00 0.00 C ATOM 1480 O ASP B 49 4.970 -8.490 7.088 1.00 0.00 O ATOM 1481 CB ASP B 49 5.861 -9.500 4.389 1.00 0.00 C ATOM 1482 CG ASP B 49 5.956 -10.108 3.002 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.300 -9.362 2.055 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.694 -11.318 2.853 1.00 0.00 O ATOM 0 H ASP B 49 3.402 -9.427 3.456 1.00 0.00 H new ATOM 0 HA ASP B 49 4.729 -10.789 5.690 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.931 -8.416 4.303 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.718 -9.829 4.977 1.00 0.00 H new ATOM 1489 N ILE B 50 3.164 -8.019 5.836 1.00 0.00 N ATOM 1490 CA ILE B 50 2.763 -6.891 6.658 1.00 0.00 C ATOM 1491 C ILE B 50 1.822 -7.338 7.777 1.00 0.00 C ATOM 1492 O ILE B 50 0.938 -8.165 7.562 1.00 0.00 O ATOM 1493 CB ILE B 50 2.068 -5.812 5.802 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.993 -5.355 4.670 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.654 -4.628 6.665 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.299 -4.522 3.613 1.00 0.00 C ATOM 0 H ILE B 50 2.544 -8.211 5.050 1.00 0.00 H new ATOM 0 HA ILE B 50 3.665 -6.469 7.102 1.00 0.00 H new ATOM 0 HB ILE B 50 1.169 -6.245 5.363 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.813 -4.776 5.095 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.434 -6.232 4.197 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.166 -3.878 6.043 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.963 -4.965 7.438 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.537 -4.193 7.133 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.018 -4.236 2.845 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.497 -5.104 3.160 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.882 -3.625 4.072 1.00 0.00 H new ATOM 1508 N LYS B 51 2.031 -6.800 8.972 1.00 0.00 N ATOM 1509 CA LYS B 51 1.199 -7.127 10.124 1.00 0.00 C ATOM 1510 C LYS B 51 0.073 -6.105 10.266 1.00 0.00 C ATOM 1511 O LYS B 51 -1.089 -6.461 10.440 1.00 0.00 O ATOM 1512 CB LYS B 51 2.058 -7.156 11.392 1.00 0.00 C ATOM 1513 CG LYS B 51 1.303 -7.537 12.657 1.00 0.00 C ATOM 1514 CD LYS B 51 2.258 -7.770 13.822 1.00 0.00 C ATOM 1515 CE LYS B 51 3.110 -6.542 14.106 1.00 0.00 C ATOM 1516 NZ LYS B 51 4.349 -6.883 14.861 1.00 0.00 N ATOM 0 H LYS B 51 2.775 -6.131 9.170 1.00 0.00 H new ATOM 0 HA LYS B 51 0.755 -8.112 9.977 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.876 -7.862 11.246 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.507 -6.173 11.534 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.598 -6.747 12.914 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.719 -8.439 12.477 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.688 -8.031 14.713 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.905 -8.618 13.598 1.00 0.00 H new ATOM 0 HE2 LYS B 51 3.380 -6.063 13.165 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.526 -5.820 14.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.908 -6.020 15.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.093 -7.302 15.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.912 -7.565 14.314 1.00 0.00 H new ATOM 1530 N CYS B 52 0.443 -4.836 10.187 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.501 -3.730 10.284 1.00 0.00 C ATOM 1532 C CYS B 52 0.125 -2.503 9.644 1.00 0.00 C ATOM 1533 O CYS B 52 1.279 -2.556 9.212 1.00 0.00 O ATOM 1534 CB CYS B 52 -0.867 -3.441 11.740 1.00 0.00 C ATOM 1535 SG CYS B 52 0.521 -3.563 12.895 1.00 0.00 S ATOM 0 H CYS B 52 1.410 -4.542 10.053 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.421 -3.997 9.763 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.291 -2.439 11.804 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.646 -4.137 12.052 1.00 0.00 H new ATOM 0 HG CYS B 52 0.640 -2.447 13.550 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.595 -1.396 9.578 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.055 -0.222 8.967 1.00 0.00 C ATOM 1543 C GLN B 53 -0.294 0.946 9.907 1.00 0.00 C ATOM 1544 O GLN B 53 -1.032 0.803 10.859 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.748 -0.041 7.610 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.228 -0.363 7.662 1.00 0.00 C ATOM 1547 CD GLN B 53 -3.022 0.262 6.540 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -4.079 -0.236 6.166 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -2.529 1.364 6.000 1.00 0.00 N ATOM 0 H GLN B 53 -1.544 -1.298 9.940 1.00 0.00 H new ATOM 0 HA GLN B 53 1.018 -0.294 8.791 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.616 0.987 7.273 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.266 -0.683 6.872 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.357 -1.445 7.629 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.632 -0.023 8.615 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.647 1.747 6.339 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.031 1.831 5.245 1.00 0.00 H new ATOM 1558 N LYS B 54 0.403 2.043 9.705 1.00 0.00 N ATOM 1559 CA LYS B 54 0.213 3.249 10.506 1.00 0.00 C ATOM 1560 C LYS B 54 0.378 4.427 9.579 1.00 0.00 C ATOM 1561 O LYS B 54 0.840 4.266 8.452 1.00 0.00 O ATOM 1562 CB LYS B 54 1.221 3.382 11.655 1.00 0.00 C ATOM 1563 CG LYS B 54 1.361 2.156 12.528 1.00 0.00 C ATOM 1564 CD LYS B 54 1.266 2.542 13.989 1.00 0.00 C ATOM 1565 CE LYS B 54 2.431 2.008 14.786 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.334 0.541 15.007 1.00 0.00 N ATOM 0 H LYS B 54 1.118 2.132 8.983 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.776 3.203 10.963 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.197 3.624 11.235 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.926 4.224 12.281 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.581 1.435 12.283 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.317 1.670 12.334 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.233 3.628 14.077 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.334 2.160 14.406 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.361 2.234 14.264 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.474 2.517 15.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.273 0.163 15.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.676 0.351 15.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.984 0.082 14.142 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.017 5.590 10.023 1.00 0.00 N ATOM 1581 CA ILE B 55 0.102 6.784 9.194 1.00 0.00 C ATOM 1582 C ILE B 55 0.471 7.985 10.025 1.00 0.00 C ATOM 1583 O ILE B 55 -0.144 8.191 11.039 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.258 7.102 8.536 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.353 6.876 9.570 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.492 6.251 7.303 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.761 7.158 9.126 1.00 0.00 C ATOM 0 H ILE B 55 -0.423 5.747 10.946 1.00 0.00 H new ATOM 0 HA ILE B 55 0.872 6.586 8.449 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.267 8.140 8.205 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.301 5.839 9.902 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.137 7.499 10.438 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.459 6.502 6.866 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.704 6.442 6.574 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.482 5.197 7.581 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.448 6.960 9.948 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.846 8.202 8.826 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.012 6.516 8.281 1.00 0.00 H new ATOM 1599 N SER B 56 1.473 8.771 9.651 1.00 0.00 N ATOM 1600 CA SER B 56 1.737 9.962 10.434 1.00 0.00 C ATOM 1601 C SER B 56 0.544 10.856 10.165 1.00 0.00 C ATOM 1602 O SER B 56 0.364 11.333 9.019 1.00 0.00 O ATOM 1603 CB SER B 56 3.077 10.634 10.109 1.00 0.00 C ATOM 1604 OG SER B 56 3.129 11.088 8.782 1.00 0.00 O ATOM 0 H SER B 56 2.086 8.615 8.851 1.00 0.00 H new ATOM 0 HA SER B 56 1.846 9.727 11.493 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.235 11.474 10.786 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.889 9.927 10.283 1.00 0.00 H new ATOM 0 HG SER B 56 3.393 12.032 8.769 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.298 11.001 11.221 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.588 11.707 11.209 1.00 0.00 C ATOM 1612 C PRO B 57 -1.530 13.125 10.655 1.00 0.00 C ATOM 1613 O PRO B 57 -0.453 13.718 10.526 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.984 11.775 12.695 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.746 11.448 13.449 1.00 0.00 C ATOM 1616 CD PRO B 57 0.009 10.516 12.575 1.00 0.00 C ATOM 0 HA PRO B 57 -2.288 11.181 10.560 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.354 12.766 12.958 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.781 11.067 12.922 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.166 12.346 13.661 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.980 10.986 14.408 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.079 10.548 12.781 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.312 9.484 12.715 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.698 13.667 10.324 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.783 15.035 9.849 1.00 0.00 C ATOM 1626 C GLU B 58 -2.313 15.954 10.969 1.00 0.00 C ATOM 1627 O GLU B 58 -2.724 15.798 12.118 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.216 15.393 9.436 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.502 15.198 7.953 1.00 0.00 C ATOM 1630 CD GLU B 58 -5.010 13.808 7.619 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.528 12.831 8.235 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -5.881 13.685 6.726 1.00 0.00 O ATOM 0 H GLU B 58 -3.592 13.179 10.377 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.153 15.153 8.967 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.912 14.784 10.013 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.410 16.433 9.699 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.239 15.934 7.632 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.591 15.391 7.386 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.464 16.905 10.636 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.936 17.801 11.640 1.00 0.00 C ATOM 1641 C GLY B 59 0.555 17.611 11.817 1.00 0.00 C ATOM 1642 O GLY B 59 1.246 18.506 12.302 1.00 0.00 O ATOM 0 H GLY B 59 -1.129 17.075 9.688 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.142 18.833 11.354 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.442 17.626 12.589 1.00 0.00 H new ATOM 1646 N LYS B 60 1.053 16.437 11.432 1.00 0.00 N ATOM 1647 CA LYS B 60 2.481 16.167 11.502 1.00 0.00 C ATOM 1648 C LYS B 60 3.168 17.013 10.442 1.00 0.00 C ATOM 1649 O LYS B 60 2.519 17.453 9.492 1.00 0.00 O ATOM 1650 CB LYS B 60 2.782 14.677 11.269 1.00 0.00 C ATOM 1651 CG LYS B 60 2.797 13.834 12.539 1.00 0.00 C ATOM 1652 CD LYS B 60 3.991 14.170 13.424 1.00 0.00 C ATOM 1653 CE LYS B 60 5.049 13.070 13.413 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.419 13.627 13.473 1.00 0.00 N ATOM 0 H LYS B 60 0.491 15.666 11.072 1.00 0.00 H new ATOM 0 HA LYS B 60 2.851 16.418 12.496 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.036 14.270 10.586 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.750 14.587 10.775 1.00 0.00 H new ATOM 0 HG2 LYS B 60 1.874 13.998 13.095 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.826 12.777 12.274 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.439 15.105 13.087 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.649 14.331 14.446 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.890 12.404 14.261 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.940 12.469 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.106 12.886 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.503 14.415 12.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.612 13.972 14.435 1.00 0.00 H new ATOM 1668 N ALA B 61 4.463 17.240 10.595 1.00 0.00 N ATOM 1669 CA ALA B 61 5.203 18.049 9.635 1.00 0.00 C ATOM 1670 C ALA B 61 5.104 17.455 8.240 1.00 0.00 C ATOM 1671 O ALA B 61 5.068 18.180 7.246 1.00 0.00 O ATOM 1672 CB ALA B 61 6.657 18.185 10.059 1.00 0.00 C ATOM 0 H ALA B 61 5.022 16.879 11.368 1.00 0.00 H new ATOM 0 HA ALA B 61 4.758 19.044 9.612 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.193 18.792 9.330 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.708 18.663 11.037 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.114 17.197 10.114 1.00 0.00 H new ATOM 1678 N LYS B 62 5.046 16.134 8.173 1.00 0.00 N ATOM 1679 CA LYS B 62 4.944 15.448 6.902 1.00 0.00 C ATOM 1680 C LYS B 62 3.985 14.271 7.021 1.00 0.00 C ATOM 1681 O LYS B 62 4.099 13.451 7.935 1.00 0.00 O ATOM 1682 CB LYS B 62 6.328 14.986 6.430 1.00 0.00 C ATOM 1683 CG LYS B 62 7.316 16.135 6.266 1.00 0.00 C ATOM 1684 CD LYS B 62 8.645 15.681 5.688 1.00 0.00 C ATOM 1685 CE LYS B 62 9.378 14.739 6.623 1.00 0.00 C ATOM 1686 NZ LYS B 62 9.600 15.339 7.963 1.00 0.00 N ATOM 0 H LYS B 62 5.068 15.519 8.986 1.00 0.00 H new ATOM 0 HA LYS B 62 4.549 16.138 6.157 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.729 14.269 7.146 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.226 14.464 5.479 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.881 16.894 5.616 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.486 16.605 7.235 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.474 15.184 4.733 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.270 16.551 5.487 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.806 13.818 6.730 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.338 14.469 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.311 14.782 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.938 16.316 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.707 15.339 8.496 1.00 0.00 H new ATOM 1700 N ILE B 63 3.018 14.220 6.117 1.00 0.00 N ATOM 1701 CA ILE B 63 2.027 13.153 6.097 1.00 0.00 C ATOM 1702 C ILE B 63 2.662 11.894 5.526 1.00 0.00 C ATOM 1703 O ILE B 63 3.131 11.898 4.386 1.00 0.00 O ATOM 1704 CB ILE B 63 0.797 13.564 5.264 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.130 14.792 5.884 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.194 12.421 5.161 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.579 16.103 5.272 1.00 0.00 C ATOM 0 H ILE B 63 2.898 14.914 5.379 1.00 0.00 H new ATOM 0 HA ILE B 63 1.689 12.959 7.115 1.00 0.00 H new ATOM 0 HB ILE B 63 1.132 13.813 4.257 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.951 14.701 5.775 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.342 14.809 6.953 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.053 12.736 4.568 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.284 11.567 4.681 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.527 12.137 6.159 1.00 0.00 H new ATOM 0 HD11 ILE B 63 0.064 16.929 5.762 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.655 16.217 5.405 1.00 0.00 H new ATOM 0 HD13 ILE B 63 0.342 16.108 4.208 1.00 0.00 H new ATOM 1719 N GLN B 64 2.689 10.814 6.304 1.00 0.00 N ATOM 1720 CA GLN B 64 3.361 9.596 5.839 1.00 0.00 C ATOM 1721 C GLN B 64 2.633 8.318 6.236 1.00 0.00 C ATOM 1722 O GLN B 64 1.689 8.340 7.018 1.00 0.00 O ATOM 1723 CB GLN B 64 4.781 9.535 6.418 1.00 0.00 C ATOM 1724 CG GLN B 64 5.571 10.828 6.296 1.00 0.00 C ATOM 1725 CD GLN B 64 6.702 10.909 7.299 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.829 10.512 7.016 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.405 11.425 8.479 1.00 0.00 N ATOM 0 H GLN B 64 2.269 10.752 7.231 1.00 0.00 H new ATOM 0 HA GLN B 64 3.373 9.651 4.750 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.718 9.261 7.471 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.331 8.740 5.914 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.977 10.909 5.288 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.900 11.675 6.439 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.455 11.743 8.672 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.126 11.506 9.196 1.00 0.00 H new ATOM 1736 N LEU B 65 3.078 7.207 5.657 1.00 0.00 N ATOM 1737 CA LEU B 65 2.534 5.893 5.965 1.00 0.00 C ATOM 1738 C LEU B 65 3.637 5.019 6.555 1.00 0.00 C ATOM 1739 O LEU B 65 4.797 5.128 6.161 1.00 0.00 O ATOM 1740 CB LEU B 65 1.975 5.204 4.719 1.00 0.00 C ATOM 1741 CG LEU B 65 1.217 3.899 5.001 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.260 4.154 5.218 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.421 2.896 3.889 1.00 0.00 C ATOM 0 H LEU B 65 3.825 7.194 4.962 1.00 0.00 H new ATOM 0 HA LEU B 65 1.720 6.027 6.677 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.306 5.895 4.206 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.798 4.992 4.036 1.00 0.00 H new ATOM 0 HG LEU B 65 1.627 3.479 5.920 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.767 3.210 5.415 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.393 4.822 6.069 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.685 4.615 4.326 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.872 1.983 4.118 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.056 3.314 2.951 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.483 2.667 3.795 1.00 0.00 H new ATOM 1755 N GLN B 66 3.275 4.171 7.500 1.00 0.00 N ATOM 1756 CA GLN B 66 4.220 3.277 8.140 1.00 0.00 C ATOM 1757 C GLN B 66 3.763 1.832 8.005 1.00 0.00 C ATOM 1758 O GLN B 66 2.672 1.478 8.443 1.00 0.00 O ATOM 1759 CB GLN B 66 4.340 3.638 9.617 1.00 0.00 C ATOM 1760 CG GLN B 66 5.385 2.836 10.368 1.00 0.00 C ATOM 1761 CD GLN B 66 5.693 3.421 11.730 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.041 3.095 12.724 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.689 4.290 11.783 1.00 0.00 N ATOM 0 H GLN B 66 2.319 4.083 7.845 1.00 0.00 H new ATOM 0 HA GLN B 66 5.190 3.384 7.654 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.580 4.698 9.702 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.372 3.491 10.096 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.036 1.810 10.487 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.301 2.795 9.778 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.202 4.531 10.935 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.944 4.719 12.672 1.00 0.00 H new ATOM 1772 N LEU B 67 4.581 1.005 7.381 1.00 0.00 N ATOM 1773 CA LEU B 67 4.250 -0.402 7.222 1.00 0.00 C ATOM 1774 C LEU B 67 4.893 -1.220 8.327 1.00 0.00 C ATOM 1775 O LEU B 67 6.105 -1.416 8.324 1.00 0.00 O ATOM 1776 CB LEU B 67 4.732 -0.932 5.873 1.00 0.00 C ATOM 1777 CG LEU B 67 3.943 -0.462 4.654 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.451 -1.167 3.410 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.456 -0.721 4.846 1.00 0.00 C ATOM 0 H LEU B 67 5.476 1.280 6.977 1.00 0.00 H new ATOM 0 HA LEU B 67 3.165 -0.494 7.273 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.774 -0.642 5.741 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.705 -2.021 5.901 1.00 0.00 H new ATOM 0 HG LEU B 67 4.086 0.612 4.534 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.884 -0.828 2.543 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.507 -0.936 3.267 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.327 -2.244 3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.911 -0.379 3.966 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.288 -1.789 4.985 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.103 -0.181 5.724 1.00 0.00 H new ATOM 1791 N VAL B 68 4.096 -1.679 9.279 1.00 0.00 N ATOM 1792 CA VAL B 68 4.628 -2.485 10.362 1.00 0.00 C ATOM 1793 C VAL B 68 4.553 -3.952 9.990 1.00 0.00 C ATOM 1794 O VAL B 68 3.467 -4.521 9.848 1.00 0.00 O ATOM 1795 CB VAL B 68 3.900 -2.250 11.700 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.424 -3.194 12.770 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.079 -0.816 12.147 1.00 0.00 C ATOM 0 H VAL B 68 3.091 -1.509 9.323 1.00 0.00 H new ATOM 0 HA VAL B 68 5.665 -2.181 10.506 1.00 0.00 H new ATOM 0 HB VAL B 68 2.839 -2.448 11.551 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.897 -3.011 13.706 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.261 -4.225 12.457 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.491 -3.023 12.915 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.560 -0.662 13.093 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.141 -0.605 12.277 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.665 -0.146 11.394 1.00 0.00 H new ATOM 1807 N LEU B 69 5.710 -4.559 9.828 1.00 0.00 N ATOM 1808 CA LEU B 69 5.781 -5.950 9.450 1.00 0.00 C ATOM 1809 C LEU B 69 5.523 -6.853 10.656 1.00 0.00 C ATOM 1810 O LEU B 69 5.317 -6.372 11.776 1.00 0.00 O ATOM 1811 CB LEU B 69 7.118 -6.270 8.793 1.00 0.00 C ATOM 1812 CG LEU B 69 7.465 -5.434 7.555 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.326 -6.246 6.613 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.223 -4.927 6.837 1.00 0.00 C ATOM 0 H LEU B 69 6.616 -4.107 9.953 1.00 0.00 H new ATOM 0 HA LEU B 69 4.999 -6.143 8.715 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.907 -6.136 9.533 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.121 -7.323 8.511 1.00 0.00 H new ATOM 0 HG LEU B 69 8.019 -4.558 7.891 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.570 -5.647 5.735 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.246 -6.537 7.120 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.784 -7.140 6.304 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.519 -4.341 5.967 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.618 -5.774 6.514 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.641 -4.302 7.514 1.00 0.00 H new ATOM 1826 N HIS B 70 5.548 -8.155 10.428 1.00 0.00 N ATOM 1827 CA HIS B 70 5.263 -9.136 11.475 1.00 0.00 C ATOM 1828 C HIS B 70 6.219 -9.067 12.665 1.00 0.00 C ATOM 1829 O HIS B 70 5.765 -8.989 13.811 1.00 0.00 O ATOM 1830 CB HIS B 70 5.256 -10.543 10.887 1.00 0.00 C ATOM 1831 CG HIS B 70 4.106 -10.775 9.963 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.816 -10.385 10.238 1.00 0.00 N ATOM 1833 CD2 HIS B 70 4.073 -11.340 8.732 1.00 0.00 C ATOM 1834 CE1 HIS B 70 2.058 -10.713 9.190 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.769 -11.297 8.251 1.00 0.00 N ATOM 0 H HIS B 70 5.764 -8.566 9.520 1.00 0.00 H new ATOM 0 HA HIS B 70 4.276 -8.886 11.865 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.189 -10.712 10.349 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.218 -11.271 11.697 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.922 -11.756 8.209 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.997 -10.523 9.122 1.00 0.00 H new ATOM 0 HE2 HIS B 70 2.433 -11.647 7.354 1.00 0.00 H new ATOM 1843 N ALA B 71 7.520 -9.065 12.409 1.00 0.00 N ATOM 1844 CA ALA B 71 8.511 -9.042 13.488 1.00 0.00 C ATOM 1845 C ALA B 71 8.519 -7.707 14.228 1.00 0.00 C ATOM 1846 O ALA B 71 8.945 -7.626 15.378 1.00 0.00 O ATOM 1847 CB ALA B 71 9.895 -9.349 12.936 1.00 0.00 C ATOM 0 H ALA B 71 7.917 -9.079 11.470 1.00 0.00 H new ATOM 0 HA ALA B 71 8.232 -9.812 14.208 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.623 -9.329 13.747 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.892 -10.337 12.475 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.163 -8.601 12.189 1.00 0.00 H new ATOM 1853 N GLY B 72 8.011 -6.678 13.576 1.00 0.00 N ATOM 1854 CA GLY B 72 7.987 -5.355 14.171 1.00 0.00 C ATOM 1855 C GLY B 72 8.788 -4.394 13.331 1.00 0.00 C ATOM 1856 O GLY B 72 9.251 -3.354 13.798 1.00 0.00 O ATOM 0 H GLY B 72 7.611 -6.732 12.639 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.958 -5.005 14.256 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.395 -5.395 15.181 1.00 0.00 H new ATOM 1860 N ASP B 73 8.921 -4.765 12.072 1.00 0.00 N ATOM 1861 CA ASP B 73 9.659 -4.002 11.088 1.00 0.00 C ATOM 1862 C ASP B 73 8.795 -2.850 10.639 1.00 0.00 C ATOM 1863 O ASP B 73 7.577 -2.913 10.777 1.00 0.00 O ATOM 1864 CB ASP B 73 9.998 -4.900 9.891 1.00 0.00 C ATOM 1865 CG ASP B 73 10.265 -6.343 10.291 1.00 0.00 C ATOM 1866 OD1 ASP B 73 9.297 -7.041 10.692 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.428 -6.780 10.202 1.00 0.00 O ATOM 0 H ASP B 73 8.511 -5.621 11.699 1.00 0.00 H new ATOM 0 HA ASP B 73 10.588 -3.626 11.517 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.174 -4.872 9.178 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.875 -4.501 9.381 1.00 0.00 H new ATOM 1872 N THR B 74 9.389 -1.799 10.111 1.00 0.00 N ATOM 1873 CA THR B 74 8.597 -0.665 9.682 1.00 0.00 C ATOM 1874 C THR B 74 9.182 0.014 8.451 1.00 0.00 C ATOM 1875 O THR B 74 10.377 0.306 8.388 1.00 0.00 O ATOM 1876 CB THR B 74 8.468 0.374 10.814 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.701 0.460 11.539 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.347 0.018 11.775 1.00 0.00 C ATOM 0 H THR B 74 10.395 -1.706 9.971 1.00 0.00 H new ATOM 0 HA THR B 74 7.613 -1.056 9.424 1.00 0.00 H new ATOM 0 HB THR B 74 8.235 1.335 10.356 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.614 1.123 12.256 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.286 0.773 12.559 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.402 -0.019 11.234 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.547 -0.955 12.223 1.00 0.00 H new ATOM 1886 N THR B 75 8.328 0.244 7.470 1.00 0.00 N ATOM 1887 CA THR B 75 8.723 0.916 6.249 1.00 0.00 C ATOM 1888 C THR B 75 7.998 2.256 6.152 1.00 0.00 C ATOM 1889 O THR B 75 6.792 2.300 5.904 1.00 0.00 O ATOM 1890 CB THR B 75 8.406 0.056 5.012 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.480 -1.336 5.354 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.383 0.357 3.887 1.00 0.00 C ATOM 0 H THR B 75 7.346 -0.029 7.498 1.00 0.00 H new ATOM 0 HA THR B 75 9.800 1.080 6.276 1.00 0.00 H new ATOM 0 HB THR B 75 7.398 0.295 4.674 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.967 -1.819 4.654 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.143 -0.261 3.022 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.310 1.410 3.613 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.398 0.138 4.218 1.00 0.00 H new ATOM 1900 N ASN B 76 8.731 3.337 6.383 1.00 0.00 N ATOM 1901 CA ASN B 76 8.156 4.679 6.345 1.00 0.00 C ATOM 1902 C ASN B 76 8.160 5.268 4.945 1.00 0.00 C ATOM 1903 O ASN B 76 9.192 5.299 4.273 1.00 0.00 O ATOM 1904 CB ASN B 76 8.913 5.616 7.285 1.00 0.00 C ATOM 1905 CG ASN B 76 8.327 5.643 8.679 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.607 4.734 9.087 1.00 0.00 O ATOM 1907 ND2 ASN B 76 8.651 6.679 9.424 1.00 0.00 N ATOM 0 H ASN B 76 9.727 3.313 6.599 1.00 0.00 H new ATOM 0 HA ASN B 76 7.120 4.584 6.671 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.956 5.304 7.340 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.903 6.625 6.872 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.301 6.749 10.380 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.252 7.411 9.046 1.00 0.00 H new ATOM 1914 N PHE B 77 6.998 5.742 4.521 1.00 0.00 N ATOM 1915 CA PHE B 77 6.841 6.358 3.214 1.00 0.00 C ATOM 1916 C PHE B 77 6.316 7.777 3.367 1.00 0.00 C ATOM 1917 O PHE B 77 5.149 7.983 3.702 1.00 0.00 O ATOM 1918 CB PHE B 77 5.889 5.538 2.342 1.00 0.00 C ATOM 1919 CG PHE B 77 6.437 4.194 1.974 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.642 4.087 1.302 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.750 3.039 2.302 1.00 0.00 C ATOM 1922 CE1 PHE B 77 8.153 2.852 0.962 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.255 1.800 1.965 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.458 1.706 1.294 1.00 0.00 C ATOM 0 H PHE B 77 6.140 5.710 5.072 1.00 0.00 H new ATOM 0 HA PHE B 77 7.816 6.388 2.727 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.945 5.406 2.871 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.669 6.095 1.431 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.189 4.981 1.041 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.809 3.108 2.827 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.094 2.781 0.437 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.710 0.905 2.226 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.855 0.737 1.029 1.00 0.00 H new ATOM 1934 N HIS B 78 7.188 8.742 3.138 1.00 0.00 N ATOM 1935 CA HIS B 78 6.842 10.147 3.249 1.00 0.00 C ATOM 1936 C HIS B 78 6.269 10.658 1.936 1.00 0.00 C ATOM 1937 O HIS B 78 6.904 10.571 0.891 1.00 0.00 O ATOM 1938 CB HIS B 78 8.099 10.928 3.663 1.00 0.00 C ATOM 1939 CG HIS B 78 8.129 12.389 3.305 1.00 0.00 C ATOM 1940 ND1 HIS B 78 9.281 13.047 2.932 1.00 0.00 N ATOM 1941 CD2 HIS B 78 7.138 13.316 3.251 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.964 14.316 2.664 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.674 14.534 2.841 1.00 0.00 N ATOM 0 H HIS B 78 8.157 8.573 2.869 1.00 0.00 H new ATOM 0 HA HIS B 78 6.072 10.287 4.008 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.216 10.839 4.743 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.965 10.447 3.208 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.100 13.137 3.488 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.671 15.067 2.344 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.174 15.412 2.706 1.00 0.00 H new ATOM 1951 N PHE B 79 5.061 11.185 2.000 1.00 0.00 N ATOM 1952 CA PHE B 79 4.406 11.721 0.824 1.00 0.00 C ATOM 1953 C PHE B 79 4.860 13.157 0.611 1.00 0.00 C ATOM 1954 O PHE B 79 4.324 14.088 1.210 1.00 0.00 O ATOM 1955 CB PHE B 79 2.888 11.634 0.980 1.00 0.00 C ATOM 1956 CG PHE B 79 2.387 10.217 1.062 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.484 9.497 2.244 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.829 9.603 -0.044 1.00 0.00 C ATOM 1959 CE1 PHE B 79 2.035 8.193 2.317 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.377 8.297 0.024 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.481 7.593 1.206 1.00 0.00 C ATOM 0 H PHE B 79 4.513 11.253 2.857 1.00 0.00 H new ATOM 0 HA PHE B 79 4.681 11.135 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.589 12.172 1.879 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.412 12.134 0.136 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.916 9.962 3.118 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.745 10.149 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE B 79 2.118 7.644 3.243 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.943 7.829 -0.847 1.00 0.00 H new ATOM 0 HZ PHE B 79 1.129 6.573 1.261 1.00 0.00 H new ATOM 1971 N SER B 80 5.866 13.321 -0.233 1.00 0.00 N ATOM 1972 CA SER B 80 6.433 14.626 -0.516 1.00 0.00 C ATOM 1973 C SER B 80 5.691 15.342 -1.641 1.00 0.00 C ATOM 1974 O SER B 80 6.208 16.303 -2.212 1.00 0.00 O ATOM 1975 CB SER B 80 7.913 14.476 -0.868 1.00 0.00 C ATOM 1976 OG SER B 80 8.170 13.218 -1.475 1.00 0.00 O ATOM 0 H SER B 80 6.310 12.555 -0.739 1.00 0.00 H new ATOM 0 HA SER B 80 6.327 15.239 0.379 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.212 15.277 -1.544 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.517 14.578 0.034 1.00 0.00 H new ATOM 0 HG SER B 80 8.680 13.352 -2.301 1.00 0.00 H new ATOM 1982 N ASN B 81 4.498 14.869 -1.978 1.00 0.00 N ATOM 1983 CA ASN B 81 3.708 15.510 -3.021 1.00 0.00 C ATOM 1984 C ASN B 81 2.949 16.678 -2.417 1.00 0.00 C ATOM 1985 O ASN B 81 1.938 16.497 -1.747 1.00 0.00 O ATOM 1986 CB ASN B 81 2.733 14.531 -3.676 1.00 0.00 C ATOM 1987 CG ASN B 81 2.228 15.041 -5.017 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.480 16.187 -5.399 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.495 14.209 -5.733 1.00 0.00 N ATOM 0 H ASN B 81 4.060 14.053 -1.550 1.00 0.00 H new ATOM 0 HA ASN B 81 4.384 15.863 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.225 13.569 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN B 81 1.887 14.362 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.117 14.507 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.306 13.268 -5.387 1.00 0.00 H new ATOM 1996 N GLU B 82 3.436 17.876 -2.674 1.00 0.00 N ATOM 1997 CA GLU B 82 2.847 19.092 -2.133 1.00 0.00 C ATOM 1998 C GLU B 82 1.427 19.329 -2.648 1.00 0.00 C ATOM 1999 O GLU B 82 0.735 20.228 -2.172 1.00 0.00 O ATOM 2000 CB GLU B 82 3.731 20.298 -2.481 1.00 0.00 C ATOM 2001 CG GLU B 82 5.201 20.123 -2.111 1.00 0.00 C ATOM 2002 CD GLU B 82 6.030 19.466 -3.206 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.449 18.796 -4.092 1.00 0.00 O ATOM 2004 OE2 GLU B 82 7.273 19.589 -3.176 1.00 0.00 O ATOM 0 H GLU B 82 4.252 18.037 -3.264 1.00 0.00 H new ATOM 0 HA GLU B 82 2.787 18.971 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.658 20.491 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.342 21.179 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.628 21.099 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.270 19.522 -1.204 1.00 0.00 H new ATOM 2011 N SER B 83 0.990 18.524 -3.606 1.00 0.00 N ATOM 2012 CA SER B 83 -0.341 18.684 -4.160 1.00 0.00 C ATOM 2013 C SER B 83 -1.405 18.028 -3.273 1.00 0.00 C ATOM 2014 O SER B 83 -2.289 18.708 -2.748 1.00 0.00 O ATOM 2015 CB SER B 83 -0.384 18.080 -5.566 1.00 0.00 C ATOM 2016 OG SER B 83 0.837 18.303 -6.253 1.00 0.00 O ATOM 0 H SER B 83 1.534 17.762 -4.011 1.00 0.00 H new ATOM 0 HA SER B 83 -0.564 19.750 -4.208 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.578 17.009 -5.500 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.208 18.519 -6.129 1.00 0.00 H new ATOM 0 HG SER B 83 1.480 17.604 -6.012 1.00 0.00 H new ATOM 2022 N THR B 84 -1.321 16.714 -3.090 1.00 0.00 N ATOM 2023 CA THR B 84 -2.295 16.004 -2.271 1.00 0.00 C ATOM 2024 C THR B 84 -1.650 15.021 -1.289 1.00 0.00 C ATOM 2025 O THR B 84 -2.245 13.991 -0.985 1.00 0.00 O ATOM 2026 CB THR B 84 -3.310 15.259 -3.159 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.694 14.886 -4.398 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.531 16.125 -3.433 1.00 0.00 C ATOM 0 H THR B 84 -0.594 16.124 -3.495 1.00 0.00 H new ATOM 0 HA THR B 84 -2.807 16.763 -1.679 1.00 0.00 H new ATOM 0 HB THR B 84 -3.634 14.363 -2.629 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.760 14.638 -4.237 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.232 15.577 -4.062 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.014 16.382 -2.490 1.00 0.00 H new ATOM 0 HG23 THR B 84 -4.223 17.037 -3.944 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.459 15.357 -0.780 1.00 0.00 N ATOM 2037 CA ALA B 85 0.282 14.497 0.163 1.00 0.00 C ATOM 2038 C ALA B 85 -0.626 13.837 1.194 1.00 0.00 C ATOM 2039 O ALA B 85 -0.561 12.627 1.423 1.00 0.00 O ATOM 2040 CB ALA B 85 1.349 15.307 0.888 1.00 0.00 C ATOM 0 H ALA B 85 0.021 16.228 -1.006 1.00 0.00 H new ATOM 0 HA ALA B 85 0.742 13.708 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.888 14.661 1.581 1.00 0.00 H new ATOM 0 HB2 ALA B 85 2.047 15.722 0.161 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.876 16.118 1.442 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.479 14.644 1.799 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.403 14.178 2.818 1.00 0.00 C ATOM 2048 C VAL B 86 -3.351 13.098 2.290 1.00 0.00 C ATOM 2049 O VAL B 86 -3.478 12.021 2.876 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.250 15.353 3.357 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.461 14.849 4.122 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.432 16.278 4.229 1.00 0.00 C ATOM 0 H VAL B 86 -1.551 15.641 1.598 1.00 0.00 H new ATOM 0 HA VAL B 86 -1.796 13.749 3.615 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.595 15.920 2.492 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.038 15.697 4.489 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.083 14.246 3.461 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.132 14.242 4.965 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.063 17.091 4.589 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.037 15.722 5.079 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.606 16.689 3.649 1.00 0.00 H new ATOM 2062 N LYS B 87 -3.991 13.371 1.161 1.00 0.00 N ATOM 2063 CA LYS B 87 -4.972 12.445 0.623 1.00 0.00 C ATOM 2064 C LYS B 87 -4.362 11.311 -0.192 1.00 0.00 C ATOM 2065 O LYS B 87 -4.978 10.255 -0.312 1.00 0.00 O ATOM 2066 CB LYS B 87 -6.059 13.199 -0.144 1.00 0.00 C ATOM 2067 CG LYS B 87 -7.016 13.934 0.795 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.045 13.264 2.169 1.00 0.00 C ATOM 2069 CE LYS B 87 -7.746 14.101 3.231 1.00 0.00 C ATOM 2070 NZ LYS B 87 -7.614 13.488 4.588 1.00 0.00 N ATOM 0 H LYS B 87 -3.850 14.216 0.607 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.439 11.951 1.475 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.594 13.915 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.622 12.497 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.705 14.974 0.898 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.019 13.942 0.367 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.547 12.300 2.085 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.023 13.064 2.490 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -7.323 15.105 3.242 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.801 14.202 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.384 13.827 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.666 12.452 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.699 13.757 5.003 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.169 11.496 -0.750 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.539 10.397 -1.471 1.00 0.00 C ATOM 2086 C GLU B 88 -2.159 9.344 -0.443 1.00 0.00 C ATOM 2087 O GLU B 88 -2.144 8.146 -0.733 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.322 10.837 -2.297 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.689 11.666 -3.515 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.532 12.492 -4.033 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.320 11.946 -4.765 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -0.480 13.699 -3.715 1.00 0.00 O ATOM 0 H GLU B 88 -2.635 12.365 -0.720 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.243 9.996 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.651 11.415 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.773 9.953 -2.620 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.040 11.004 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.517 12.328 -3.262 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.878 9.804 0.780 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.573 8.896 1.873 1.00 0.00 C ATOM 2101 C ARG B 89 -2.834 8.131 2.213 1.00 0.00 C ATOM 2102 O ARG B 89 -2.805 6.923 2.408 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.089 9.631 3.122 1.00 0.00 C ATOM 2104 CG ARG B 89 -0.844 8.686 4.290 1.00 0.00 C ATOM 2105 CD ARG B 89 -1.281 9.280 5.619 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.700 9.644 5.636 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.222 10.564 6.450 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -2.460 11.206 7.326 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.516 10.839 6.404 1.00 0.00 N ATOM 0 H ARG B 89 -1.857 10.793 1.030 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.770 8.232 1.552 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.168 10.167 2.892 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -1.828 10.378 3.411 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.381 7.753 4.118 1.00 0.00 H new ATOM 0 HG3 ARG B 89 0.217 8.439 4.337 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.085 8.562 6.415 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -0.681 10.164 5.832 1.00 0.00 H new ATOM 0 HE ARG B 89 -3.326 9.166 4.988 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -1.463 10.999 7.383 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.871 11.907 7.942 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.119 10.347 5.744 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.910 11.543 7.028 1.00 0.00 H new ATOM 2123 N ASP B 90 -3.939 8.867 2.288 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.243 8.281 2.575 1.00 0.00 C ATOM 2125 C ASP B 90 -5.600 7.244 1.523 1.00 0.00 C ATOM 2126 O ASP B 90 -6.167 6.210 1.844 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.324 9.366 2.642 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.508 9.899 4.042 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.128 10.964 4.205 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.037 9.241 4.992 1.00 0.00 O ATOM 0 H ASP B 90 -3.956 9.878 2.153 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.190 7.790 3.547 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.056 10.185 1.975 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.269 8.958 2.283 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.243 7.515 0.271 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.510 6.586 -0.814 1.00 0.00 C ATOM 2137 C ALA B 91 -4.764 5.276 -0.581 1.00 0.00 C ATOM 2138 O ALA B 91 -5.308 4.194 -0.787 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.116 7.198 -2.149 1.00 0.00 C ATOM 0 H ALA B 91 -4.768 8.372 -0.014 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.579 6.376 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.323 6.488 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.690 8.110 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.052 7.435 -2.141 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.521 5.385 -0.124 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.698 4.213 0.153 1.00 0.00 C ATOM 2147 C VAL B 92 -3.187 3.538 1.420 1.00 0.00 C ATOM 2148 O VAL B 92 -3.303 2.320 1.496 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.211 4.598 0.333 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.376 3.387 0.724 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.663 5.232 -0.930 1.00 0.00 C ATOM 0 H VAL B 92 -3.060 6.276 0.063 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.781 3.536 -0.697 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.151 5.328 1.140 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.665 3.686 0.844 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.746 2.978 1.664 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.448 2.628 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.384 5.495 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.746 4.526 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.233 6.132 -1.162 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.493 4.366 2.397 1.00 0.00 N ATOM 2162 CA LYS B 93 -3.965 3.921 3.687 1.00 0.00 C ATOM 2163 C LYS B 93 -5.283 3.166 3.564 1.00 0.00 C ATOM 2164 O LYS B 93 -5.399 2.036 4.032 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.113 5.152 4.579 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.163 5.036 5.661 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.385 6.376 6.326 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.823 6.552 6.760 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.628 7.262 5.730 1.00 0.00 N ATOM 0 H LYS B 93 -3.419 5.380 2.314 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.250 3.225 4.126 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.151 5.360 5.048 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.353 6.010 3.951 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.098 4.676 5.232 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.850 4.302 6.403 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.730 6.466 7.192 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.112 7.175 5.636 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.265 5.575 6.957 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.855 7.111 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.287 7.918 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.994 7.795 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.167 6.569 5.172 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.257 3.789 2.914 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.577 3.199 2.727 1.00 0.00 C ATOM 2185 C ASP B 94 -7.513 1.937 1.881 1.00 0.00 C ATOM 2186 O ASP B 94 -8.204 0.951 2.155 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.530 4.210 2.091 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.284 5.024 3.125 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.516 4.829 3.250 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.649 5.829 3.837 1.00 0.00 O ATOM 0 H ASP B 94 -6.155 4.716 2.502 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.955 2.923 3.712 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.964 4.882 1.446 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.243 3.684 1.456 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.668 1.955 0.872 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.528 0.803 -0.002 1.00 0.00 C ATOM 2197 C LEU B 95 -5.783 -0.299 0.726 1.00 0.00 C ATOM 2198 O LEU B 95 -5.938 -1.469 0.409 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.811 1.172 -1.303 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.956 0.150 -2.436 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.422 -0.075 -2.771 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.195 0.611 -3.669 1.00 0.00 C ATOM 0 H LEU B 95 -6.070 2.747 0.635 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.524 0.449 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.192 2.133 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.751 1.307 -1.090 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.531 -0.796 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.503 -0.804 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.943 -0.449 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.872 0.867 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.309 -0.126 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.591 1.569 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.138 0.721 -3.425 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.968 0.076 1.704 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.254 -0.909 2.488 1.00 0.00 C ATOM 2216 C LEU B 96 -5.244 -1.650 3.366 1.00 0.00 C ATOM 2217 O LEU B 96 -5.312 -2.867 3.305 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.140 -0.284 3.304 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.792 -0.237 2.590 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.743 0.408 3.470 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.355 -1.636 2.188 1.00 0.00 C ATOM 0 H LEU B 96 -4.790 1.045 1.967 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.772 -1.617 1.814 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.430 0.731 3.576 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.027 -0.843 4.233 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.904 0.366 1.689 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.210 0.431 2.942 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.048 1.426 3.714 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.635 -0.168 4.389 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.392 -1.584 1.680 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.263 -2.258 3.078 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.096 -2.070 1.517 1.00 0.00 H new ATOM 2233 N GLN B 97 -6.014 -0.927 4.188 1.00 0.00 N ATOM 2234 CA GLN B 97 -7.061 -1.562 4.989 1.00 0.00 C ATOM 2235 C GLN B 97 -8.015 -2.374 4.098 1.00 0.00 C ATOM 2236 O GLN B 97 -8.815 -3.167 4.592 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.836 -0.510 5.780 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.872 0.838 5.110 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.915 1.995 6.084 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.355 3.092 5.747 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.499 1.755 7.301 1.00 0.00 N ATOM 0 H GLN B 97 -5.933 0.082 4.314 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.586 -2.247 5.691 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.857 -0.860 5.931 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.386 -0.405 6.767 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.994 0.942 4.473 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.745 0.888 4.459 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.140 0.832 7.544 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.534 2.491 8.006 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.964 -2.115 2.792 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.760 -2.853 1.815 1.00 0.00 C ATOM 2252 C GLN B 98 -8.014 -4.082 1.266 1.00 0.00 C ATOM 2253 O GLN B 98 -8.592 -5.159 1.143 1.00 0.00 O ATOM 2254 CB GLN B 98 -9.159 -1.927 0.660 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.489 -1.223 0.868 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.954 -1.262 2.305 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -10.630 -0.386 3.105 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.722 -2.279 2.638 1.00 0.00 N ATOM 0 H GLN B 98 -7.372 -1.391 2.384 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.653 -3.213 2.327 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.380 -1.177 0.522 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.207 -2.510 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.399 -0.185 0.548 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.244 -1.688 0.234 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.966 -2.983 1.942 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.073 -2.362 3.592 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.732 -3.918 0.948 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.926 -5.001 0.378 1.00 0.00 C ATOM 2269 C LEU B 99 -5.266 -5.885 1.436 1.00 0.00 C ATOM 2270 O LEU B 99 -5.027 -7.065 1.191 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.858 -4.428 -0.552 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.342 -4.115 -1.967 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.308 -3.294 -2.718 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.646 -5.402 -2.721 1.00 0.00 C ATOM 0 H LEU B 99 -6.225 -3.042 1.075 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.614 -5.635 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.462 -3.515 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.032 -5.137 -0.614 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.258 -3.529 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.672 -3.082 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.134 -2.357 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.375 -3.854 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.990 -5.162 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.743 -6.010 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.423 -5.957 -2.195 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.958 -5.320 2.594 1.00 0.00 N ATOM 2287 CA LEU B 100 -4.331 -6.078 3.675 1.00 0.00 C ATOM 2288 C LEU B 100 -5.190 -7.296 4.071 1.00 0.00 C ATOM 2289 O LEU B 100 -4.658 -8.399 4.190 1.00 0.00 O ATOM 2290 CB LEU B 100 -4.024 -5.165 4.881 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.738 -4.330 4.732 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.642 -3.221 5.782 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.517 -5.234 4.807 1.00 0.00 C ATOM 0 H LEU B 100 -5.131 -4.339 2.813 1.00 0.00 H new ATOM 0 HA LEU B 100 -3.378 -6.466 3.314 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.866 -4.490 5.035 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.942 -5.781 5.777 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.774 -3.847 3.756 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.719 -2.660 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.494 -2.549 5.681 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.644 -3.662 6.779 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.613 -4.634 4.701 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.502 -5.746 5.769 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.560 -5.971 4.005 1.00 0.00 H new