USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=28 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: B 81 ASN : amide:sc= -0.987 K(o=1,f=-0.34) USER MOD Set 1.2: B 83 SER OG : rot 90:sc= 0.643 USER MOD Set 1.3: B 84 THR OG1 : rot 141:sc= 1.35 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.828 F(o=-4.6,f=-3.1) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -3.92! C(o=-4.6!,f=-3.1!) USER MOD Set 3.1: B 56 SER OG : rot 25:sc= 0.47! USER MOD Set 3.2: B 64 GLN : amide:sc= -0.831 K(o=-0.36,f=-3.3!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -119:sc= 1.16 (180deg=0.0999) USER MOD Set 4.2: B 52 CYS SG : rot 175:sc= 1.58 USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.49! C(o=-0.34!,f=-3.3!) USER MOD Set 5.2: B 75 THR OG1 : rot -155:sc= 1.15 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -142:sc= 0.844 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 150:sc= 0.744 USER MOD Set 7.1: A 414 LYS NZ :NH3+ 141:sc= 2.37 (180deg=-0.0947) USER MOD Set 7.2: B 97 GLN : amide:sc= -6.95! C(o=-4.6!,f=-14!) USER MOD Single : B 14 LYS NZ :NH3+ -178:sc= 2.16 (180deg=2.12) USER MOD Single : B 17 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.12) USER MOD Single : B 18 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0.117) USER MOD Single : B 19 LYS NZ :NH3+ 175:sc= -4.93! (180deg=-5.27!) USER MOD Single : B 20 GLN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD Single : B 27 MET CE :methyl 176:sc= -0.466 (180deg=-0.493) USER MOD Single : B 42 THR OG1 : rot -10:sc= 0.00752 USER MOD Single : B 44 SER OG : rot -118:sc= 0.843 USER MOD Single : B 46 MET CE :methyl -160:sc= -0.134 (180deg=-0.688) USER MOD Single : B 47 TYR OH : rot -32:sc= 1.03 USER MOD Single : B 53 GLN : amide:sc= -3.24! C(o=-3.2!,f=-11!) USER MOD Single : B 54 LYS NZ :NH3+ -154:sc= 1.15 (180deg=0.877) USER MOD Single : B 60 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.512) USER MOD Single : B 62 LYS NZ :NH3+ -158:sc= -0.146 (180deg=-0.756) USER MOD Single : B 70 HIS : no HD1:sc= -0.0167 K(o=-0.017,f=-2) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.0545 USER MOD Single : B 78 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-0.45) USER MOD Single : B 80 SER OG : rot 140:sc= 0.0722 USER MOD Single : B 87 LYS NZ :NH3+ -160:sc= 0.869 (180deg=-0.324!) USER MOD Single : B 93 LYS NZ :NH3+ 179:sc= 2.02 (180deg=1.98) USER MOD Single : B 98 GLN :FLIP amide:sc= -0.14 F(o=-0.96,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.463 8.966 11.828 1.00 0.00 N ATOM 230 CA ASP A 405 9.990 7.591 11.857 1.00 0.00 C ATOM 231 C ASP A 405 9.064 7.374 13.042 1.00 0.00 C ATOM 232 O ASP A 405 8.808 6.240 13.451 1.00 0.00 O ATOM 233 CB ASP A 405 11.174 6.617 11.929 1.00 0.00 C ATOM 234 CG ASP A 405 12.204 6.860 10.840 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.992 6.402 9.699 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.232 7.515 11.125 1.00 0.00 O ATOM 0 HA ASP A 405 9.435 7.400 10.938 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.654 6.708 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.803 5.595 11.850 1.00 0.00 H new ATOM 241 N GLU A 406 8.542 8.466 13.580 1.00 0.00 N ATOM 242 CA GLU A 406 7.651 8.390 14.723 1.00 0.00 C ATOM 243 C GLU A 406 6.349 9.119 14.470 1.00 0.00 C ATOM 244 O GLU A 406 6.210 9.829 13.477 1.00 0.00 O ATOM 245 CB GLU A 406 8.321 8.957 15.974 1.00 0.00 C ATOM 246 CG GLU A 406 9.011 10.293 15.749 1.00 0.00 C ATOM 247 CD GLU A 406 8.135 11.480 16.096 1.00 0.00 C ATOM 248 OE1 GLU A 406 7.536 11.476 17.186 1.00 0.00 O ATOM 249 OE2 GLU A 406 8.058 12.421 15.277 1.00 0.00 O ATOM 0 H GLU A 406 8.721 9.412 13.243 1.00 0.00 H new ATOM 0 HA GLU A 406 7.427 7.335 14.882 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.570 9.074 16.756 1.00 0.00 H new ATOM 0 HB3 GLU A 406 9.053 8.238 16.340 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.920 10.332 16.350 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.316 10.367 14.705 1.00 0.00 H new ATOM 256 N ASP A 407 5.413 8.923 15.388 1.00 0.00 N ATOM 257 CA ASP A 407 4.102 9.522 15.335 1.00 0.00 C ATOM 258 C ASP A 407 3.338 9.084 14.097 1.00 0.00 C ATOM 259 O ASP A 407 3.146 9.848 13.157 1.00 0.00 O ATOM 260 CB ASP A 407 4.154 11.038 15.462 1.00 0.00 C ATOM 261 CG ASP A 407 2.775 11.650 15.624 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.882 10.967 16.171 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.587 12.812 15.203 1.00 0.00 O ATOM 0 H ASP A 407 5.555 8.329 16.205 1.00 0.00 H new ATOM 0 HA ASP A 407 3.552 9.157 16.203 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.772 11.308 16.319 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.634 11.458 14.578 1.00 0.00 H new ATOM 268 N PHE A 408 3.000 7.799 14.074 1.00 0.00 N ATOM 269 CA PHE A 408 2.195 7.216 13.021 1.00 0.00 C ATOM 270 C PHE A 408 1.070 6.473 13.693 1.00 0.00 C ATOM 271 O PHE A 408 1.294 5.617 14.552 1.00 0.00 O ATOM 272 CB PHE A 408 2.995 6.260 12.120 1.00 0.00 C ATOM 273 CG PHE A 408 3.998 6.934 11.232 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.812 6.964 9.863 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.119 7.545 11.762 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.718 7.595 9.042 1.00 0.00 C ATOM 277 CE2 PHE A 408 6.030 8.174 10.944 1.00 0.00 C ATOM 278 CZ PHE A 408 5.827 8.201 9.583 1.00 0.00 C ATOM 0 H PHE A 408 3.282 7.133 14.793 1.00 0.00 H new ATOM 0 HA PHE A 408 1.829 8.008 12.368 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.514 5.537 12.749 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.298 5.699 11.498 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.945 6.486 9.432 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.282 7.529 12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.558 7.614 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.903 8.646 11.370 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.539 8.698 8.940 1.00 0.00 H new ATOM 288 N VAL A 409 -0.132 6.800 13.297 1.00 0.00 N ATOM 289 CA VAL A 409 -1.301 6.211 13.867 1.00 0.00 C ATOM 290 C VAL A 409 -1.614 4.922 13.164 1.00 0.00 C ATOM 291 O VAL A 409 -1.804 4.890 11.955 1.00 0.00 O ATOM 292 CB VAL A 409 -2.446 7.230 13.834 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.132 8.247 14.866 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.562 7.935 12.521 1.00 0.00 C ATOM 0 H VAL A 409 -0.322 7.486 12.566 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.140 5.954 14.914 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.385 6.704 14.005 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.919 9.001 14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.066 7.766 15.842 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.180 8.723 14.630 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.390 8.643 12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.636 8.471 12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.745 7.206 11.732 1.00 0.00 H new ATOM 304 N GLU A 410 -1.621 3.858 13.942 1.00 0.00 N ATOM 305 CA GLU A 410 -1.831 2.533 13.411 1.00 0.00 C ATOM 306 C GLU A 410 -3.135 2.434 12.648 1.00 0.00 C ATOM 307 O GLU A 410 -4.225 2.621 13.191 1.00 0.00 O ATOM 308 CB GLU A 410 -1.760 1.483 14.524 1.00 0.00 C ATOM 309 CG GLU A 410 -1.482 0.075 14.016 1.00 0.00 C ATOM 310 CD GLU A 410 -0.782 -0.799 15.047 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.078 -0.248 15.918 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.903 -2.043 14.963 1.00 0.00 O ATOM 0 H GLU A 410 -1.482 3.890 14.952 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.028 2.332 12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -0.979 1.766 15.230 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -2.702 1.483 15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.423 -0.394 13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.867 0.133 13.118 1.00 0.00 H new ATOM 319 N VAL A 411 -2.984 2.149 11.377 1.00 0.00 N ATOM 320 CA VAL A 411 -4.090 2.005 10.474 1.00 0.00 C ATOM 321 C VAL A 411 -4.522 0.541 10.428 1.00 0.00 C ATOM 322 O VAL A 411 -3.747 -0.338 10.034 1.00 0.00 O ATOM 323 CB VAL A 411 -3.731 2.493 9.058 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.990 2.699 8.259 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.941 3.761 9.120 1.00 0.00 C ATOM 0 H VAL A 411 -2.074 2.009 10.939 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.911 2.622 10.839 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.117 1.736 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.733 3.044 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.535 1.758 8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.615 3.445 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.698 4.088 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.528 4.532 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.020 3.589 9.677 1.00 0.00 H new ATOM 335 N PRO A 412 -5.758 0.269 10.864 1.00 0.00 N ATOM 336 CA PRO A 412 -6.319 -1.084 10.899 1.00 0.00 C ATOM 337 C PRO A 412 -6.841 -1.545 9.545 1.00 0.00 C ATOM 338 O PRO A 412 -6.893 -0.769 8.589 1.00 0.00 O ATOM 339 CB PRO A 412 -7.483 -0.924 11.872 1.00 0.00 C ATOM 340 CG PRO A 412 -7.962 0.460 11.613 1.00 0.00 C ATOM 341 CD PRO A 412 -6.719 1.270 11.372 1.00 0.00 C ATOM 0 HA PRO A 412 -5.576 -1.830 11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.265 -1.661 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.163 -1.051 12.906 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.626 0.491 10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.525 0.847 12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.891 2.067 10.648 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.362 1.743 12.287 1.00 0.00 H new ATOM 349 N GLU A 413 -7.234 -2.809 9.480 1.00 0.00 N ATOM 350 CA GLU A 413 -7.777 -3.390 8.263 1.00 0.00 C ATOM 351 C GLU A 413 -9.274 -3.110 8.189 1.00 0.00 C ATOM 352 O GLU A 413 -9.929 -2.954 9.220 1.00 0.00 O ATOM 353 CB GLU A 413 -7.542 -4.904 8.244 1.00 0.00 C ATOM 354 CG GLU A 413 -6.248 -5.338 8.912 1.00 0.00 C ATOM 355 CD GLU A 413 -5.034 -5.115 8.038 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.611 -3.954 7.885 1.00 0.00 O ATOM 357 OE2 GLU A 413 -4.499 -6.107 7.504 1.00 0.00 O ATOM 0 H GLU A 413 -7.185 -3.457 10.266 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.274 -2.943 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.378 -5.397 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.538 -5.248 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.124 -4.789 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.315 -6.395 9.171 1.00 0.00 H new ATOM 364 N LYS A 414 -9.816 -3.034 6.981 1.00 0.00 N ATOM 365 CA LYS A 414 -11.239 -2.782 6.821 1.00 0.00 C ATOM 366 C LYS A 414 -11.947 -3.968 6.192 1.00 0.00 C ATOM 367 O LYS A 414 -12.991 -4.390 6.684 1.00 0.00 O ATOM 368 CB LYS A 414 -11.474 -1.528 5.987 1.00 0.00 C ATOM 369 CG LYS A 414 -11.794 -0.312 6.835 1.00 0.00 C ATOM 370 CD LYS A 414 -10.967 0.885 6.423 1.00 0.00 C ATOM 371 CE LYS A 414 -11.659 1.707 5.355 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.226 3.132 5.385 1.00 0.00 N ATOM 0 H LYS A 414 -9.299 -3.142 6.109 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.657 -2.628 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.587 -1.324 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.294 -1.707 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.853 -0.072 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.608 -0.540 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.774 1.510 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.999 0.548 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.444 1.283 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.738 1.652 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.133 3.487 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.933 3.699 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.309 3.206 5.869 1.00 0.00 H new ATOM 786 N VAL B 8 -0.544 -2.485 -10.825 1.00 0.00 N ATOM 787 CA VAL B 8 -0.517 -1.250 -10.059 1.00 0.00 C ATOM 788 C VAL B 8 -1.916 -0.661 -9.970 1.00 0.00 C ATOM 789 O VAL B 8 -2.468 -0.188 -10.960 1.00 0.00 O ATOM 790 CB VAL B 8 0.434 -0.204 -10.685 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.560 1.014 -9.783 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.804 -0.808 -10.957 1.00 0.00 C ATOM 0 HA VAL B 8 -0.148 -1.494 -9.063 1.00 0.00 H new ATOM 0 HB VAL B 8 0.007 0.113 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.233 1.738 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.421 1.468 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.958 0.710 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.454 -0.052 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.239 -1.160 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.702 -1.645 -11.647 1.00 0.00 H new ATOM 802 N LEU B 9 -2.485 -0.712 -8.777 1.00 0.00 N ATOM 803 CA LEU B 9 -3.826 -0.201 -8.545 1.00 0.00 C ATOM 804 C LEU B 9 -3.778 1.252 -8.091 1.00 0.00 C ATOM 805 O LEU B 9 -4.711 2.015 -8.329 1.00 0.00 O ATOM 806 CB LEU B 9 -4.544 -1.043 -7.486 1.00 0.00 C ATOM 807 CG LEU B 9 -4.435 -2.562 -7.659 1.00 0.00 C ATOM 808 CD1 LEU B 9 -5.114 -3.273 -6.500 1.00 0.00 C ATOM 809 CD2 LEU B 9 -5.045 -3.003 -8.981 1.00 0.00 C ATOM 0 H LEU B 9 -2.036 -1.105 -7.950 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.375 -0.261 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.146 -0.778 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.599 -0.771 -7.486 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.379 -2.830 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.030 -4.351 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.633 -2.986 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.167 -2.993 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.955 -4.085 -9.080 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.098 -2.722 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.519 -2.518 -9.804 1.00 0.00 H new ATOM 821 N LEU B 10 -2.690 1.635 -7.432 1.00 0.00 N ATOM 822 CA LEU B 10 -2.562 3.005 -6.943 1.00 0.00 C ATOM 823 C LEU B 10 -1.191 3.588 -7.258 1.00 0.00 C ATOM 824 O LEU B 10 -0.168 2.944 -7.035 1.00 0.00 O ATOM 825 CB LEU B 10 -2.815 3.043 -5.437 1.00 0.00 C ATOM 826 CG LEU B 10 -3.204 4.411 -4.875 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.628 4.780 -5.261 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.054 4.422 -3.366 1.00 0.00 C ATOM 0 H LEU B 10 -1.896 1.029 -7.226 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.307 3.615 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.607 2.332 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.916 2.700 -4.925 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.532 5.154 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.876 5.757 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.713 4.814 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.317 4.034 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.334 5.402 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.702 3.661 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.018 4.211 -3.102 1.00 0.00 H new ATOM 840 N ILE B 11 -1.180 4.810 -7.776 1.00 0.00 N ATOM 841 CA ILE B 11 0.063 5.492 -8.116 1.00 0.00 C ATOM 842 C ILE B 11 0.178 6.806 -7.348 1.00 0.00 C ATOM 843 O ILE B 11 -0.562 7.754 -7.607 1.00 0.00 O ATOM 844 CB ILE B 11 0.165 5.778 -9.634 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.194 4.467 -10.425 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.403 6.614 -9.941 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.215 4.659 -11.927 1.00 0.00 C ATOM 0 H ILE B 11 -2.022 5.351 -7.971 1.00 0.00 H new ATOM 0 HA ILE B 11 0.880 4.828 -7.835 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.715 6.345 -9.936 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.073 3.895 -10.129 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.679 3.872 -10.156 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.457 6.804 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.343 7.562 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.295 6.074 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.235 3.686 -12.418 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.677 5.203 -12.237 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.102 5.226 -12.209 1.00 0.00 H new ATOM 859 N VAL B 12 1.095 6.842 -6.396 1.00 0.00 N ATOM 860 CA VAL B 12 1.322 8.032 -5.588 1.00 0.00 C ATOM 861 C VAL B 12 2.702 8.606 -5.879 1.00 0.00 C ATOM 862 O VAL B 12 3.719 7.956 -5.632 1.00 0.00 O ATOM 863 CB VAL B 12 1.204 7.723 -4.085 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.506 8.962 -3.259 1.00 0.00 C ATOM 865 CG2 VAL B 12 -0.180 7.186 -3.758 1.00 0.00 C ATOM 0 H VAL B 12 1.700 6.055 -6.161 1.00 0.00 H new ATOM 0 HA VAL B 12 0.556 8.761 -5.850 1.00 0.00 H new ATOM 0 HB VAL B 12 1.938 6.957 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.417 8.723 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.520 9.302 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.798 9.751 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.245 6.973 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.931 7.929 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.358 6.270 -4.322 1.00 0.00 H new ATOM 875 N LYS B 13 2.737 9.815 -6.416 1.00 0.00 N ATOM 876 CA LYS B 13 3.996 10.467 -6.736 1.00 0.00 C ATOM 877 C LYS B 13 4.501 11.272 -5.547 1.00 0.00 C ATOM 878 O LYS B 13 3.761 11.492 -4.589 1.00 0.00 O ATOM 879 CB LYS B 13 3.836 11.370 -7.961 1.00 0.00 C ATOM 880 CG LYS B 13 4.042 10.642 -9.281 1.00 0.00 C ATOM 881 CD LYS B 13 5.398 9.959 -9.319 1.00 0.00 C ATOM 882 CE LYS B 13 5.644 9.246 -10.638 1.00 0.00 C ATOM 883 NZ LYS B 13 6.957 8.545 -10.644 1.00 0.00 N ATOM 0 H LYS B 13 1.907 10.365 -6.639 1.00 0.00 H new ATOM 0 HA LYS B 13 4.731 9.696 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.839 11.811 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.549 12.192 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.254 9.902 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.964 11.349 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.181 10.700 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.464 9.241 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.846 8.526 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.612 9.968 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.393 8.632 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.582 8.973 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.815 7.539 -10.420 1.00 0.00 H new ATOM 897 N LYS B 14 5.753 11.722 -5.633 1.00 0.00 N ATOM 898 CA LYS B 14 6.384 12.494 -4.571 1.00 0.00 C ATOM 899 C LYS B 14 6.299 11.788 -3.221 1.00 0.00 C ATOM 900 O LYS B 14 5.581 12.219 -2.322 1.00 0.00 O ATOM 901 CB LYS B 14 5.762 13.881 -4.501 1.00 0.00 C ATOM 902 CG LYS B 14 6.471 14.928 -5.344 1.00 0.00 C ATOM 903 CD LYS B 14 7.530 15.661 -4.532 1.00 0.00 C ATOM 904 CE LYS B 14 7.440 17.169 -4.721 1.00 0.00 C ATOM 905 NZ LYS B 14 7.556 17.903 -3.431 1.00 0.00 N ATOM 0 H LYS B 14 6.354 11.560 -6.441 1.00 0.00 H new ATOM 0 HA LYS B 14 7.443 12.590 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.722 13.817 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.755 14.211 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.936 14.451 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.744 15.643 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.411 15.419 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS B 14 8.520 15.315 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.230 17.497 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.491 17.418 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.455 18.924 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.808 17.585 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.486 17.713 -3.006 1.00 0.00 H new ATOM 919 N VAL B 15 7.013 10.679 -3.107 1.00 0.00 N ATOM 920 CA VAL B 15 7.062 9.915 -1.870 1.00 0.00 C ATOM 921 C VAL B 15 8.513 9.662 -1.493 1.00 0.00 C ATOM 922 O VAL B 15 9.247 9.011 -2.235 1.00 0.00 O ATOM 923 CB VAL B 15 6.313 8.571 -1.988 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.394 7.783 -0.688 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.865 8.808 -2.375 1.00 0.00 C ATOM 0 H VAL B 15 7.572 10.285 -3.864 1.00 0.00 H new ATOM 0 HA VAL B 15 6.565 10.499 -1.095 1.00 0.00 H new ATOM 0 HB VAL B 15 6.794 7.982 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.858 6.841 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.438 7.580 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.944 8.363 0.118 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.348 7.851 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.380 9.420 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.825 9.323 -3.335 1.00 0.00 H new ATOM 935 N ARG B 16 8.932 10.179 -0.355 1.00 0.00 N ATOM 936 CA ARG B 16 10.305 10.009 0.085 1.00 0.00 C ATOM 937 C ARG B 16 10.425 8.922 1.140 1.00 0.00 C ATOM 938 O ARG B 16 9.600 8.819 2.048 1.00 0.00 O ATOM 939 CB ARG B 16 10.868 11.322 0.626 1.00 0.00 C ATOM 940 CG ARG B 16 11.290 12.289 -0.464 1.00 0.00 C ATOM 941 CD ARG B 16 12.313 13.291 0.042 1.00 0.00 C ATOM 942 NE ARG B 16 11.694 14.395 0.771 1.00 0.00 N ATOM 943 CZ ARG B 16 11.334 15.547 0.198 1.00 0.00 C ATOM 944 NH1 ARG B 16 11.511 15.727 -1.109 1.00 0.00 N ATOM 945 NH2 ARG B 16 10.805 16.519 0.929 1.00 0.00 N ATOM 0 H ARG B 16 8.345 10.719 0.281 1.00 0.00 H new ATOM 0 HA ARG B 16 10.887 9.704 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.117 11.800 1.255 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.726 11.106 1.263 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.709 11.733 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.415 12.820 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.025 12.783 0.692 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.878 13.687 -0.802 1.00 0.00 H new ATOM 0 HE ARG B 16 11.528 14.280 1.771 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.922 14.985 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.235 16.607 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.672 16.388 1.932 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.531 17.397 0.488 1.00 0.00 H new ATOM 959 N GLN B 17 11.454 8.106 0.993 1.00 0.00 N ATOM 960 CA GLN B 17 11.731 7.026 1.921 1.00 0.00 C ATOM 961 C GLN B 17 13.148 7.191 2.460 1.00 0.00 C ATOM 962 O GLN B 17 14.111 6.901 1.758 1.00 0.00 O ATOM 963 CB GLN B 17 11.585 5.677 1.206 1.00 0.00 C ATOM 964 CG GLN B 17 11.199 4.521 2.115 1.00 0.00 C ATOM 965 CD GLN B 17 12.357 4.009 2.948 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.564 4.440 4.079 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.123 3.087 2.389 1.00 0.00 N ATOM 0 H GLN B 17 12.122 8.175 0.225 1.00 0.00 H new ATOM 0 HA GLN B 17 11.023 7.056 2.749 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.833 5.774 0.423 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.528 5.437 0.714 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.395 4.841 2.778 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.806 3.705 1.509 1.00 0.00 H new ATOM 0 HE21 GLN B 17 12.917 2.755 1.447 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.920 2.708 2.900 1.00 0.00 H new ATOM 976 N LYS B 18 13.259 7.671 3.699 1.00 0.00 N ATOM 977 CA LYS B 18 14.551 7.890 4.345 1.00 0.00 C ATOM 978 C LYS B 18 15.511 8.688 3.456 1.00 0.00 C ATOM 979 O LYS B 18 16.524 8.161 2.987 1.00 0.00 O ATOM 980 CB LYS B 18 15.162 6.554 4.749 1.00 0.00 C ATOM 981 CG LYS B 18 14.783 6.091 6.153 1.00 0.00 C ATOM 982 CD LYS B 18 15.152 7.117 7.219 1.00 0.00 C ATOM 983 CE LYS B 18 13.929 7.888 7.693 1.00 0.00 C ATOM 984 NZ LYS B 18 14.202 8.692 8.915 1.00 0.00 N ATOM 0 H LYS B 18 12.458 7.918 4.280 1.00 0.00 H new ATOM 0 HA LYS B 18 14.382 8.488 5.240 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.852 5.794 4.032 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.247 6.629 4.684 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.711 5.898 6.193 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.285 5.148 6.370 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.617 6.613 8.066 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.889 7.812 6.818 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.588 8.549 6.896 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.118 7.188 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.537 9.490 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.085 8.094 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.176 9.055 8.881 1.00 0.00 H new ATOM 998 N LYS B 19 15.151 9.949 3.204 1.00 0.00 N ATOM 999 CA LYS B 19 15.950 10.861 2.383 1.00 0.00 C ATOM 1000 C LYS B 19 16.103 10.400 0.934 1.00 0.00 C ATOM 1001 O LYS B 19 17.046 10.792 0.251 1.00 0.00 O ATOM 1002 CB LYS B 19 17.314 11.068 3.030 1.00 0.00 C ATOM 1003 CG LYS B 19 17.382 12.248 3.991 1.00 0.00 C ATOM 1004 CD LYS B 19 17.307 13.586 3.261 1.00 0.00 C ATOM 1005 CE LYS B 19 16.023 14.323 3.580 1.00 0.00 C ATOM 1006 NZ LYS B 19 14.818 13.450 3.488 1.00 0.00 N ATOM 0 H LYS B 19 14.294 10.367 3.565 1.00 0.00 H new ATOM 0 HA LYS B 19 15.411 11.807 2.338 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.589 10.161 3.568 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.057 11.211 2.245 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.563 12.180 4.707 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.310 12.198 4.561 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.161 14.203 3.542 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.374 13.419 2.186 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.089 14.739 4.585 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.911 15.163 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.980 13.982 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.688 13.141 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.945 12.618 4.099 1.00 0.00 H new ATOM 1020 N GLN B 20 15.172 9.589 0.461 1.00 0.00 N ATOM 1021 CA GLN B 20 15.214 9.111 -0.914 1.00 0.00 C ATOM 1022 C GLN B 20 13.934 9.500 -1.642 1.00 0.00 C ATOM 1023 O GLN B 20 12.843 9.092 -1.247 1.00 0.00 O ATOM 1024 CB GLN B 20 15.412 7.596 -0.955 1.00 0.00 C ATOM 1025 CG GLN B 20 16.820 7.158 -0.592 1.00 0.00 C ATOM 1026 CD GLN B 20 16.867 5.752 -0.030 1.00 0.00 C ATOM 1027 OE1 GLN B 20 16.979 4.776 -0.770 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.783 5.640 1.286 1.00 0.00 N ATOM 0 H GLN B 20 14.380 9.248 1.005 1.00 0.00 H new ATOM 0 HA GLN B 20 16.061 9.578 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.706 7.127 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.174 7.234 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.453 7.212 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.235 7.852 0.139 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.691 6.475 1.864 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.810 4.718 1.722 1.00 0.00 H new ATOM 1037 N ASP B 21 14.072 10.310 -2.681 1.00 0.00 N ATOM 1038 CA ASP B 21 12.924 10.766 -3.462 1.00 0.00 C ATOM 1039 C ASP B 21 12.447 9.675 -4.412 1.00 0.00 C ATOM 1040 O ASP B 21 13.234 9.115 -5.175 1.00 0.00 O ATOM 1041 CB ASP B 21 13.276 12.016 -4.272 1.00 0.00 C ATOM 1042 CG ASP B 21 13.655 13.200 -3.407 1.00 0.00 C ATOM 1043 OD1 ASP B 21 14.863 13.403 -3.175 1.00 0.00 O ATOM 1044 OD2 ASP B 21 12.749 13.954 -2.984 1.00 0.00 O ATOM 0 H ASP B 21 14.970 10.668 -3.006 1.00 0.00 H new ATOM 0 HA ASP B 21 12.126 11.006 -2.759 1.00 0.00 H new ATOM 0 HB2 ASP B 21 14.103 11.785 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.425 12.288 -4.896 1.00 0.00 H new ATOM 1049 N GLY B 22 11.159 9.380 -4.364 1.00 0.00 N ATOM 1050 CA GLY B 22 10.603 8.365 -5.227 1.00 0.00 C ATOM 1051 C GLY B 22 9.096 8.435 -5.306 1.00 0.00 C ATOM 1052 O GLY B 22 8.501 9.490 -5.073 1.00 0.00 O ATOM 0 H GLY B 22 10.487 9.828 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.022 8.474 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.899 7.381 -4.863 1.00 0.00 H new ATOM 1056 N ALA B 23 8.482 7.312 -5.633 1.00 0.00 N ATOM 1057 CA ALA B 23 7.039 7.225 -5.742 1.00 0.00 C ATOM 1058 C ALA B 23 6.550 5.891 -5.207 1.00 0.00 C ATOM 1059 O ALA B 23 7.233 4.872 -5.336 1.00 0.00 O ATOM 1060 CB ALA B 23 6.604 7.414 -7.185 1.00 0.00 C ATOM 0 H ALA B 23 8.969 6.438 -5.830 1.00 0.00 H new ATOM 0 HA ALA B 23 6.596 8.021 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.518 7.346 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.928 8.393 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.054 6.639 -7.805 1.00 0.00 H new ATOM 1066 N LEU B 24 5.370 5.901 -4.612 1.00 0.00 N ATOM 1067 CA LEU B 24 4.790 4.696 -4.051 1.00 0.00 C ATOM 1068 C LEU B 24 3.712 4.155 -4.975 1.00 0.00 C ATOM 1069 O LEU B 24 2.823 4.887 -5.409 1.00 0.00 O ATOM 1070 CB LEU B 24 4.207 4.975 -2.668 1.00 0.00 C ATOM 1071 CG LEU B 24 3.839 3.726 -1.871 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.084 3.061 -1.310 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.865 4.072 -0.758 1.00 0.00 C ATOM 0 H LEU B 24 4.793 6.735 -4.505 1.00 0.00 H new ATOM 0 HA LEU B 24 5.576 3.948 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.928 5.557 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.317 5.593 -2.781 1.00 0.00 H new ATOM 0 HG LEU B 24 3.352 3.020 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.799 2.173 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.744 2.774 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.604 3.758 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.614 3.170 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.323 4.798 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.958 4.497 -1.187 1.00 0.00 H new ATOM 1085 N TYR B 25 3.804 2.875 -5.282 1.00 0.00 N ATOM 1086 CA TYR B 25 2.842 2.234 -6.159 1.00 0.00 C ATOM 1087 C TYR B 25 2.173 1.063 -5.451 1.00 0.00 C ATOM 1088 O TYR B 25 2.834 0.091 -5.077 1.00 0.00 O ATOM 1089 CB TYR B 25 3.529 1.736 -7.436 1.00 0.00 C ATOM 1090 CG TYR B 25 4.341 2.791 -8.157 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.700 2.936 -7.910 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.752 3.639 -9.086 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.448 3.892 -8.568 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.494 4.601 -9.749 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.842 4.724 -9.485 1.00 0.00 C ATOM 1096 OH TYR B 25 6.591 5.680 -10.143 1.00 0.00 O ATOM 0 H TYR B 25 4.538 2.257 -4.936 1.00 0.00 H new ATOM 0 HA TYR B 25 2.083 2.970 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.183 0.902 -7.182 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.770 1.350 -8.116 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.180 2.289 -7.190 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.696 3.546 -9.295 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.504 3.988 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.020 5.252 -10.469 1.00 0.00 H new ATOM 0 HH TYR B 25 6.208 5.842 -11.030 1.00 0.00 H new ATOM 1106 N LEU B 26 0.868 1.163 -5.246 1.00 0.00 N ATOM 1107 CA LEU B 26 0.130 0.090 -4.604 1.00 0.00 C ATOM 1108 C LEU B 26 -0.199 -0.957 -5.642 1.00 0.00 C ATOM 1109 O LEU B 26 -0.858 -0.669 -6.640 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.152 0.584 -3.937 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.955 1.485 -2.721 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.121 1.346 -1.760 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.350 1.171 -2.020 1.00 0.00 C ATOM 0 H LEU B 26 0.304 1.970 -5.513 1.00 0.00 H new ATOM 0 HA LEU B 26 0.755 -0.330 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.740 1.126 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.740 -0.282 -3.634 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.914 2.517 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.963 1.996 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -3.044 1.631 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.195 0.311 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.466 1.827 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.344 0.133 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.180 1.327 -2.709 1.00 0.00 H new ATOM 1125 N MET B 27 0.265 -2.161 -5.411 1.00 0.00 N ATOM 1126 CA MET B 27 0.051 -3.241 -6.346 1.00 0.00 C ATOM 1127 C MET B 27 -0.990 -4.208 -5.797 1.00 0.00 C ATOM 1128 O MET B 27 -1.175 -4.310 -4.586 1.00 0.00 O ATOM 1129 CB MET B 27 1.365 -3.953 -6.606 1.00 0.00 C ATOM 1130 CG MET B 27 2.584 -3.054 -6.457 1.00 0.00 C ATOM 1131 SD MET B 27 4.045 -3.714 -7.273 1.00 0.00 S ATOM 1132 CE MET B 27 3.952 -2.823 -8.818 1.00 0.00 C ATOM 0 H MET B 27 0.796 -2.419 -4.579 1.00 0.00 H new ATOM 0 HA MET B 27 -0.322 -2.839 -7.288 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.456 -4.793 -5.917 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.351 -4.368 -7.614 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.357 -2.071 -6.869 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.798 -2.913 -5.398 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.826 -3.057 -9.426 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.049 -3.116 -9.353 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.924 -1.752 -8.619 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.651 -4.914 -6.700 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.707 -5.864 -6.357 1.00 0.00 C ATOM 1144 C ALA B 28 -2.336 -6.824 -5.220 1.00 0.00 C ATOM 1145 O ALA B 28 -3.177 -7.137 -4.373 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.104 -6.652 -7.595 1.00 0.00 C ATOM 0 H ALA B 28 -1.471 -4.846 -7.702 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.547 -5.274 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.892 -7.360 -7.338 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.467 -5.967 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.238 -7.194 -7.974 1.00 0.00 H new ATOM 1152 N GLU B 29 -1.093 -7.292 -5.189 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.683 -8.241 -4.155 1.00 0.00 C ATOM 1154 C GLU B 29 0.411 -7.687 -3.235 1.00 0.00 C ATOM 1155 O GLU B 29 0.771 -8.322 -2.233 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.186 -9.546 -4.795 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.950 -9.971 -6.044 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.423 -10.215 -5.787 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -2.756 -10.957 -4.843 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -3.261 -9.653 -6.518 1.00 0.00 O ATOM 0 H GLU B 29 -0.362 -7.037 -5.854 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.566 -8.429 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.867 -9.432 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.250 -10.345 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.844 -9.200 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.502 -10.880 -6.445 1.00 0.00 H new ATOM 1167 N ARG B 30 0.913 -6.494 -3.521 1.00 0.00 N ATOM 1168 CA ARG B 30 1.993 -5.947 -2.708 1.00 0.00 C ATOM 1169 C ARG B 30 2.079 -4.436 -2.808 1.00 0.00 C ATOM 1170 O ARG B 30 1.392 -3.814 -3.602 1.00 0.00 O ATOM 1171 CB ARG B 30 3.330 -6.551 -3.153 1.00 0.00 C ATOM 1172 CG ARG B 30 3.825 -6.025 -4.494 1.00 0.00 C ATOM 1173 CD ARG B 30 5.219 -6.535 -4.819 1.00 0.00 C ATOM 1174 NE ARG B 30 5.188 -7.708 -5.692 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.269 -8.385 -6.074 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.476 -8.029 -5.642 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.133 -9.423 -6.886 1.00 0.00 N ATOM 0 H ARG B 30 0.601 -5.899 -4.288 1.00 0.00 H new ATOM 0 HA ARG B 30 1.779 -6.205 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.083 -6.345 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.227 -7.634 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.134 -6.328 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.831 -4.935 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.792 -5.742 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.737 -6.786 -3.894 1.00 0.00 H new ATOM 0 HE ARG B 30 4.280 -8.028 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.578 -7.232 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.299 -8.553 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.206 -9.697 -7.213 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.955 -9.948 -7.184 1.00 0.00 H new ATOM 1191 N ILE B 31 2.928 -3.858 -1.983 1.00 0.00 N ATOM 1192 CA ILE B 31 3.158 -2.430 -1.996 1.00 0.00 C ATOM 1193 C ILE B 31 4.627 -2.192 -2.314 1.00 0.00 C ATOM 1194 O ILE B 31 5.511 -2.735 -1.645 1.00 0.00 O ATOM 1195 CB ILE B 31 2.769 -1.760 -0.654 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.298 -0.322 -0.590 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.280 -2.575 0.523 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.797 0.459 0.606 1.00 0.00 C ATOM 0 H ILE B 31 3.476 -4.364 -1.287 1.00 0.00 H new ATOM 0 HA ILE B 31 2.524 -1.975 -2.757 1.00 0.00 H new ATOM 0 HB ILE B 31 1.681 -1.724 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.387 -0.346 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.010 0.202 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.996 -2.086 1.455 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.845 -3.574 0.490 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.366 -2.650 0.469 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.213 1.466 0.583 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.709 0.515 0.574 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.107 -0.041 1.523 1.00 0.00 H new ATOM 1210 N ALA B 32 4.893 -1.419 -3.349 1.00 0.00 N ATOM 1211 CA ALA B 32 6.263 -1.168 -3.748 1.00 0.00 C ATOM 1212 C ALA B 32 6.558 0.316 -3.888 1.00 0.00 C ATOM 1213 O ALA B 32 5.678 1.119 -4.200 1.00 0.00 O ATOM 1214 CB ALA B 32 6.566 -1.896 -5.047 1.00 0.00 C ATOM 0 H ALA B 32 4.187 -0.959 -3.923 1.00 0.00 H new ATOM 0 HA ALA B 32 6.912 -1.549 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.598 -1.702 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.424 -2.967 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA B 32 5.894 -1.541 -5.828 1.00 0.00 H new ATOM 1220 N TRP B 33 7.808 0.660 -3.646 1.00 0.00 N ATOM 1221 CA TRP B 33 8.271 2.028 -3.747 1.00 0.00 C ATOM 1222 C TRP B 33 9.526 2.062 -4.605 1.00 0.00 C ATOM 1223 O TRP B 33 10.422 1.228 -4.440 1.00 0.00 O ATOM 1224 CB TRP B 33 8.555 2.603 -2.353 1.00 0.00 C ATOM 1225 CG TRP B 33 9.120 3.993 -2.373 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.418 5.164 -2.344 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.505 4.360 -2.425 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.280 6.231 -2.385 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.565 5.763 -2.434 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.700 3.636 -2.468 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.770 6.456 -2.484 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.895 4.325 -2.517 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.922 5.722 -2.526 1.00 0.00 C ATOM 0 H TRP B 33 8.532 -0.004 -3.373 1.00 0.00 H new ATOM 0 HA TRP B 33 7.498 2.641 -4.210 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.630 2.605 -1.776 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.252 1.945 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.342 5.239 -2.296 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.007 7.214 -2.380 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.688 2.556 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.794 7.536 -2.489 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.824 3.775 -2.549 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.873 6.232 -2.567 1.00 0.00 H new ATOM 1244 N ALA B 34 9.581 3.005 -5.524 1.00 0.00 N ATOM 1245 CA ALA B 34 10.724 3.137 -6.408 1.00 0.00 C ATOM 1246 C ALA B 34 11.183 4.582 -6.465 1.00 0.00 C ATOM 1247 O ALA B 34 10.355 5.493 -6.478 1.00 0.00 O ATOM 1248 CB ALA B 34 10.372 2.646 -7.805 1.00 0.00 C ATOM 0 H ALA B 34 8.845 3.694 -5.679 1.00 0.00 H new ATOM 0 HA ALA B 34 11.537 2.526 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.239 2.751 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.078 1.597 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.546 3.237 -8.201 1.00 0.00 H new ATOM 1254 N PRO B 35 12.504 4.815 -6.476 1.00 0.00 N ATOM 1255 CA PRO B 35 13.057 6.163 -6.555 1.00 0.00 C ATOM 1256 C PRO B 35 12.609 6.848 -7.840 1.00 0.00 C ATOM 1257 O PRO B 35 12.460 6.197 -8.878 1.00 0.00 O ATOM 1258 CB PRO B 35 14.575 5.949 -6.552 1.00 0.00 C ATOM 1259 CG PRO B 35 14.775 4.570 -6.018 1.00 0.00 C ATOM 1260 CD PRO B 35 13.555 3.787 -6.414 1.00 0.00 C ATOM 0 HA PRO B 35 12.727 6.802 -5.736 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.988 6.046 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.076 6.689 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.678 4.120 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.893 4.585 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.690 3.290 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.319 3.012 -5.684 1.00 0.00 H new ATOM 1368 N THR B 42 12.899 -0.353 -5.157 1.00 0.00 N ATOM 1369 CA THR B 42 13.867 -0.731 -4.140 1.00 0.00 C ATOM 1370 C THR B 42 13.159 -1.299 -2.914 1.00 0.00 C ATOM 1371 O THR B 42 13.745 -2.038 -2.124 1.00 0.00 O ATOM 1372 CB THR B 42 14.728 0.476 -3.730 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.966 1.682 -3.878 1.00 0.00 O ATOM 1374 CG2 THR B 42 15.990 0.561 -4.576 1.00 0.00 C ATOM 0 HA THR B 42 14.517 -1.497 -4.563 1.00 0.00 H new ATOM 0 HB THR B 42 15.023 0.350 -2.688 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.134 1.487 -4.358 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.579 1.423 -4.264 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.578 -0.347 -4.444 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.718 0.668 -5.626 1.00 0.00 H new ATOM 1382 N ILE B 43 11.891 -0.942 -2.766 1.00 0.00 N ATOM 1383 CA ILE B 43 11.083 -1.409 -1.652 1.00 0.00 C ATOM 1384 C ILE B 43 9.915 -2.234 -2.175 1.00 0.00 C ATOM 1385 O ILE B 43 9.144 -1.761 -3.006 1.00 0.00 O ATOM 1386 CB ILE B 43 10.535 -0.229 -0.816 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.677 0.658 -0.308 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.694 -0.739 0.347 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.618 -0.040 0.653 1.00 0.00 C ATOM 0 H ILE B 43 11.397 -0.325 -3.411 1.00 0.00 H new ATOM 0 HA ILE B 43 11.719 -2.019 -1.011 1.00 0.00 H new ATOM 0 HB ILE B 43 9.898 0.375 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.249 1.021 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.252 1.532 0.186 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.318 0.107 0.923 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.854 -1.318 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.307 -1.371 0.989 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.398 0.654 0.967 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.061 -0.379 1.526 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.073 -0.898 0.158 1.00 0.00 H new ATOM 1401 N SER B 44 9.795 -3.465 -1.702 1.00 0.00 N ATOM 1402 CA SER B 44 8.716 -4.344 -2.128 1.00 0.00 C ATOM 1403 C SER B 44 8.230 -5.192 -0.959 1.00 0.00 C ATOM 1404 O SER B 44 8.940 -6.077 -0.487 1.00 0.00 O ATOM 1405 CB SER B 44 9.187 -5.243 -3.278 1.00 0.00 C ATOM 1406 OG SER B 44 8.226 -6.243 -3.588 1.00 0.00 O ATOM 0 H SER B 44 10.433 -3.879 -1.022 1.00 0.00 H new ATOM 0 HA SER B 44 7.886 -3.731 -2.481 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.377 -4.634 -4.162 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.131 -5.716 -3.007 1.00 0.00 H new ATOM 0 HG SER B 44 8.615 -7.129 -3.436 1.00 0.00 H new ATOM 1412 N HIS B 45 7.023 -4.911 -0.491 1.00 0.00 N ATOM 1413 CA HIS B 45 6.442 -5.654 0.619 1.00 0.00 C ATOM 1414 C HIS B 45 5.104 -6.233 0.221 1.00 0.00 C ATOM 1415 O HIS B 45 4.237 -5.519 -0.280 1.00 0.00 O ATOM 1416 CB HIS B 45 6.253 -4.754 1.845 1.00 0.00 C ATOM 1417 CG HIS B 45 7.529 -4.315 2.493 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.366 -5.153 3.191 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.095 -3.085 2.557 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.390 -4.424 3.650 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.275 -3.160 3.290 1.00 0.00 N ATOM 0 H HIS B 45 6.425 -4.173 -0.863 1.00 0.00 H new ATOM 0 HA HIS B 45 7.130 -6.460 0.873 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.688 -3.870 1.548 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.650 -5.286 2.581 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.230 -6.154 3.334 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.693 -2.188 2.109 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.205 -4.819 4.239 1.00 0.00 H new ATOM 1429 N MET B 46 4.936 -7.525 0.426 1.00 0.00 N ATOM 1430 CA MET B 46 3.680 -8.165 0.110 1.00 0.00 C ATOM 1431 C MET B 46 2.750 -7.935 1.284 1.00 0.00 C ATOM 1432 O MET B 46 3.204 -7.833 2.423 1.00 0.00 O ATOM 1433 CB MET B 46 3.856 -9.670 -0.139 1.00 0.00 C ATOM 1434 CG MET B 46 5.065 -10.027 -0.994 1.00 0.00 C ATOM 1435 SD MET B 46 4.895 -9.508 -2.714 1.00 0.00 S ATOM 1436 CE MET B 46 3.512 -10.517 -3.246 1.00 0.00 C ATOM 0 H MET B 46 5.650 -8.146 0.807 1.00 0.00 H new ATOM 0 HA MET B 46 3.272 -7.740 -0.807 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.943 -10.178 0.822 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.958 -10.054 -0.623 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.954 -9.563 -0.567 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.221 -11.105 -0.960 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.508 -10.585 -4.334 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.606 -11.516 -2.820 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.580 -10.064 -2.908 1.00 0.00 H new ATOM 1446 N TYR B 47 1.462 -7.833 1.024 1.00 0.00 N ATOM 1447 CA TYR B 47 0.506 -7.600 2.109 1.00 0.00 C ATOM 1448 C TYR B 47 0.529 -8.747 3.114 1.00 0.00 C ATOM 1449 O TYR B 47 0.177 -8.570 4.280 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.908 -7.389 1.565 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.987 -6.241 0.583 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -1.555 -6.404 -0.670 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -0.474 -4.993 0.912 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -1.611 -5.357 -1.569 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -0.529 -3.941 0.021 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.096 -4.128 -1.217 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.147 -3.083 -2.110 1.00 0.00 O ATOM 0 H TYR B 47 1.051 -7.905 0.093 1.00 0.00 H new ATOM 0 HA TYR B 47 0.809 -6.689 2.625 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.246 -8.303 1.078 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.588 -7.200 2.395 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.961 -7.365 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.024 -4.843 1.882 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.056 -5.501 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.129 -2.976 0.295 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.079 -3.430 -3.024 1.00 0.00 H new ATOM 1467 N ALA B 48 0.991 -9.905 2.662 1.00 0.00 N ATOM 1468 CA ALA B 48 1.068 -11.089 3.505 1.00 0.00 C ATOM 1469 C ALA B 48 2.227 -11.004 4.499 1.00 0.00 C ATOM 1470 O ALA B 48 2.300 -11.797 5.431 1.00 0.00 O ATOM 1471 CB ALA B 48 1.204 -12.334 2.643 1.00 0.00 C ATOM 0 H ALA B 48 1.321 -10.049 1.708 1.00 0.00 H new ATOM 0 HA ALA B 48 0.145 -11.147 4.082 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.261 -13.215 3.282 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.338 -12.418 1.986 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.110 -12.263 2.042 1.00 0.00 H new ATOM 1477 N ASP B 49 3.129 -10.045 4.297 1.00 0.00 N ATOM 1478 CA ASP B 49 4.274 -9.884 5.192 1.00 0.00 C ATOM 1479 C ASP B 49 4.054 -8.701 6.124 1.00 0.00 C ATOM 1480 O ASP B 49 4.821 -8.481 7.066 1.00 0.00 O ATOM 1481 CB ASP B 49 5.579 -9.636 4.415 1.00 0.00 C ATOM 1482 CG ASP B 49 5.622 -10.268 3.034 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.296 -11.465 2.903 1.00 0.00 O ATOM 1484 OD2 ASP B 49 6.000 -9.553 2.076 1.00 0.00 O ATOM 0 H ASP B 49 3.091 -9.374 3.530 1.00 0.00 H new ATOM 0 HA ASP B 49 4.363 -10.812 5.757 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.727 -8.561 4.313 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.414 -10.019 5.002 1.00 0.00 H new ATOM 1489 N ILE B 50 3.002 -7.938 5.867 1.00 0.00 N ATOM 1490 CA ILE B 50 2.711 -6.758 6.664 1.00 0.00 C ATOM 1491 C ILE B 50 1.683 -7.066 7.751 1.00 0.00 C ATOM 1492 O ILE B 50 0.617 -7.603 7.465 1.00 0.00 O ATOM 1493 CB ILE B 50 2.181 -5.612 5.777 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.096 -5.402 4.567 1.00 0.00 C ATOM 1495 CG2 ILE B 50 2.067 -4.327 6.581 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.510 -4.486 3.515 1.00 0.00 C ATOM 0 H ILE B 50 2.337 -8.115 5.114 1.00 0.00 H new ATOM 0 HA ILE B 50 3.644 -6.448 7.135 1.00 0.00 H new ATOM 0 HB ILE B 50 1.189 -5.887 5.418 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.046 -4.989 4.908 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.313 -6.369 4.114 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.692 -3.529 5.940 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.379 -4.478 7.413 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.048 -4.051 6.967 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.213 -4.384 2.689 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.575 -4.907 3.146 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.319 -3.506 3.952 1.00 0.00 H new ATOM 1508 N LYS B 51 2.002 -6.724 8.995 1.00 0.00 N ATOM 1509 CA LYS B 51 1.086 -6.950 10.110 1.00 0.00 C ATOM 1510 C LYS B 51 -0.062 -5.957 10.033 1.00 0.00 C ATOM 1511 O LYS B 51 -1.234 -6.332 10.058 1.00 0.00 O ATOM 1512 CB LYS B 51 1.816 -6.797 11.454 1.00 0.00 C ATOM 1513 CG LYS B 51 0.882 -6.663 12.656 1.00 0.00 C ATOM 1514 CD LYS B 51 1.556 -5.941 13.816 1.00 0.00 C ATOM 1515 CE LYS B 51 0.613 -5.768 15.004 1.00 0.00 C ATOM 1516 NZ LYS B 51 -0.439 -4.737 14.758 1.00 0.00 N ATOM 0 H LYS B 51 2.887 -6.290 9.257 1.00 0.00 H new ATOM 0 HA LYS B 51 0.698 -7.966 10.042 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.464 -7.661 11.605 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.461 -5.919 11.408 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.015 -6.119 12.361 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.562 -7.653 12.980 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.436 -6.502 14.130 1.00 0.00 H new ATOM 0 HD3 LYS B 51 1.903 -4.963 13.482 1.00 0.00 H new ATOM 0 HE2 LYS B 51 0.136 -6.723 15.226 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.192 -5.488 15.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.345 -3.972 15.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.326 -4.347 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.379 -5.173 14.846 1.00 0.00 H new ATOM 1530 N CYS B 52 0.302 -4.692 9.918 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.652 -3.600 9.839 1.00 0.00 C ATOM 1532 C CYS B 52 0.050 -2.379 9.286 1.00 0.00 C ATOM 1533 O CYS B 52 1.240 -2.439 8.966 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.218 -3.284 11.219 1.00 0.00 C ATOM 1535 SG CYS B 52 0.056 -2.969 12.458 1.00 0.00 S ATOM 0 H CYS B 52 1.276 -4.391 9.876 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.476 -3.888 9.186 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.868 -2.412 11.147 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.838 -4.117 11.549 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.504 -2.611 13.575 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.652 -1.272 9.189 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.063 -0.077 8.670 1.00 0.00 C ATOM 1543 C GLN B 53 -0.273 1.026 9.686 1.00 0.00 C ATOM 1544 O GLN B 53 -0.983 0.825 10.658 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.724 0.244 7.329 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.230 0.094 7.373 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.945 0.963 6.370 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.428 1.987 5.928 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -4.161 0.579 6.032 1.00 0.00 N ATOM 0 H GLN B 53 -1.630 -1.183 9.465 1.00 0.00 H new ATOM 0 HA GLN B 53 1.008 -0.189 8.499 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.472 1.264 7.039 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.319 -0.415 6.561 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.490 -0.949 7.191 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.584 0.340 8.374 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.552 -0.278 6.423 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.710 1.139 5.380 1.00 0.00 H new ATOM 1558 N LYS B 54 0.409 2.135 9.523 1.00 0.00 N ATOM 1559 CA LYS B 54 0.248 3.281 10.398 1.00 0.00 C ATOM 1560 C LYS B 54 0.397 4.510 9.540 1.00 0.00 C ATOM 1561 O LYS B 54 0.885 4.426 8.419 1.00 0.00 O ATOM 1562 CB LYS B 54 1.290 3.324 11.523 1.00 0.00 C ATOM 1563 CG LYS B 54 1.609 1.983 12.155 1.00 0.00 C ATOM 1564 CD LYS B 54 1.635 2.095 13.666 1.00 0.00 C ATOM 1565 CE LYS B 54 2.382 0.937 14.297 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.217 0.909 15.774 1.00 0.00 N ATOM 0 H LYS B 54 1.094 2.272 8.779 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.728 3.222 10.880 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.212 3.750 11.127 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.935 4.000 12.301 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.864 1.247 11.853 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.574 1.626 11.795 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.108 3.034 13.954 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.614 2.122 14.047 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.022 -0.001 13.874 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.441 1.012 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.034 0.432 16.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.154 1.882 16.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.347 0.393 16.016 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.032 5.634 10.041 1.00 0.00 N ATOM 1581 CA ILE B 55 0.068 6.864 9.269 1.00 0.00 C ATOM 1582 C ILE B 55 0.495 8.022 10.132 1.00 0.00 C ATOM 1583 O ILE B 55 -0.054 8.193 11.192 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.306 7.228 8.670 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.365 6.987 9.733 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.595 6.426 7.416 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.797 7.161 9.313 1.00 0.00 C ATOM 0 H ILE B 55 -0.450 5.736 10.966 1.00 0.00 H new ATOM 0 HA ILE B 55 0.807 6.689 8.487 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.310 8.277 8.374 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.243 5.972 10.111 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.171 7.663 10.566 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.571 6.708 7.021 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.828 6.630 6.669 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.594 5.363 7.656 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.452 6.961 10.161 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.953 8.183 8.967 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.026 6.466 8.505 1.00 0.00 H new ATOM 1599 N SER B 56 1.474 8.812 9.716 1.00 0.00 N ATOM 1600 CA SER B 56 1.835 9.966 10.509 1.00 0.00 C ATOM 1601 C SER B 56 0.620 10.871 10.446 1.00 0.00 C ATOM 1602 O SER B 56 0.297 11.400 9.358 1.00 0.00 O ATOM 1603 CB SER B 56 3.121 10.648 10.013 1.00 0.00 C ATOM 1604 OG SER B 56 2.869 11.615 9.015 1.00 0.00 O ATOM 0 H SER B 56 2.015 8.678 8.861 1.00 0.00 H new ATOM 0 HA SER B 56 2.077 9.693 11.536 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.625 11.122 10.855 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.801 9.892 9.619 1.00 0.00 H new ATOM 0 HG SER B 56 1.950 11.944 9.103 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.081 10.970 11.606 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.350 11.690 11.784 1.00 0.00 C ATOM 1612 C PRO B 57 -1.293 13.164 11.408 1.00 0.00 C ATOM 1613 O PRO B 57 -0.221 13.730 11.168 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.640 11.573 13.286 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.336 11.240 13.902 1.00 0.00 C ATOM 1616 CD PRO B 57 0.372 10.408 12.890 1.00 0.00 C ATOM 0 HA PRO B 57 -2.110 11.260 11.132 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.038 12.506 13.685 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.380 10.799 13.486 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.230 12.141 14.137 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.469 10.695 14.836 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.454 10.478 12.999 1.00 0.00 H new ATOM 0 HD3 PRO B 57 0.109 9.354 12.982 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.468 13.768 11.342 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.599 15.178 11.044 1.00 0.00 C ATOM 1626 C GLU B 58 -1.940 15.975 12.166 1.00 0.00 C ATOM 1627 O GLU B 58 -2.022 15.596 13.333 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.081 15.564 10.922 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.817 14.890 9.767 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.906 13.379 9.911 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.880 12.681 8.880 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.957 12.886 11.057 1.00 0.00 O ATOM 0 H GLU B 58 -3.357 13.291 11.494 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.112 15.399 10.094 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.587 15.313 11.854 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.153 16.645 10.801 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.824 15.301 9.698 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.310 15.130 8.833 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.302 17.074 11.820 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.625 17.877 12.818 1.00 0.00 C ATOM 1641 C GLY B 59 0.870 17.866 12.604 1.00 0.00 C ATOM 1642 O GLY B 59 1.553 18.847 12.897 1.00 0.00 O ATOM 0 H GLY B 59 -1.238 17.429 10.866 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.994 18.902 12.776 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.856 17.496 13.813 1.00 0.00 H new ATOM 1646 N LYS B 60 1.386 16.748 12.099 1.00 0.00 N ATOM 1647 CA LYS B 60 2.804 16.649 11.791 1.00 0.00 C ATOM 1648 C LYS B 60 3.096 17.566 10.606 1.00 0.00 C ATOM 1649 O LYS B 60 2.193 17.884 9.832 1.00 0.00 O ATOM 1650 CB LYS B 60 3.210 15.207 11.441 1.00 0.00 C ATOM 1651 CG LYS B 60 3.668 14.350 12.622 1.00 0.00 C ATOM 1652 CD LYS B 60 4.531 13.190 12.141 1.00 0.00 C ATOM 1653 CE LYS B 60 5.438 12.655 13.236 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.393 13.669 13.747 1.00 0.00 N ATOM 0 H LYS B 60 0.846 15.906 11.897 1.00 0.00 H new ATOM 0 HA LYS B 60 3.379 16.946 12.668 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.363 14.715 10.964 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.014 15.242 10.706 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.232 14.962 13.325 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.800 13.966 13.158 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.888 12.387 11.780 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.138 13.517 11.297 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.826 12.292 14.062 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.995 11.800 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.218 13.191 14.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.704 14.279 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.928 14.249 14.474 1.00 0.00 H new ATOM 1668 N ALA B 61 4.348 17.978 10.448 1.00 0.00 N ATOM 1669 CA ALA B 61 4.726 18.863 9.343 1.00 0.00 C ATOM 1670 C ALA B 61 4.674 18.137 8.004 1.00 0.00 C ATOM 1671 O ALA B 61 4.961 18.715 6.958 1.00 0.00 O ATOM 1672 CB ALA B 61 6.110 19.447 9.582 1.00 0.00 C ATOM 0 H ALA B 61 5.118 17.718 11.065 1.00 0.00 H new ATOM 0 HA ALA B 61 4.003 19.678 9.305 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.377 20.102 8.753 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.108 20.019 10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.838 18.639 9.655 1.00 0.00 H new ATOM 1678 N LYS B 62 4.313 16.867 8.053 1.00 0.00 N ATOM 1679 CA LYS B 62 4.204 16.048 6.867 1.00 0.00 C ATOM 1680 C LYS B 62 3.283 14.874 7.150 1.00 0.00 C ATOM 1681 O LYS B 62 3.190 14.408 8.287 1.00 0.00 O ATOM 1682 CB LYS B 62 5.579 15.553 6.421 1.00 0.00 C ATOM 1683 CG LYS B 62 6.370 14.885 7.529 1.00 0.00 C ATOM 1684 CD LYS B 62 7.798 14.606 7.103 1.00 0.00 C ATOM 1685 CE LYS B 62 8.632 14.141 8.278 1.00 0.00 C ATOM 1686 NZ LYS B 62 8.640 15.143 9.380 1.00 0.00 N ATOM 0 H LYS B 62 4.088 16.377 8.919 1.00 0.00 H new ATOM 0 HA LYS B 62 3.787 16.648 6.058 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.454 14.848 5.599 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.152 16.396 6.034 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.371 15.524 8.412 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.885 13.951 7.812 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.807 13.845 6.322 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.237 15.507 6.675 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.240 13.194 8.650 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.654 13.955 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.475 14.992 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.672 16.101 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.778 15.037 9.952 1.00 0.00 H new ATOM 1700 N ILE B 63 2.598 14.421 6.125 1.00 0.00 N ATOM 1701 CA ILE B 63 1.676 13.307 6.242 1.00 0.00 C ATOM 1702 C ILE B 63 2.338 12.060 5.675 1.00 0.00 C ATOM 1703 O ILE B 63 2.721 12.041 4.504 1.00 0.00 O ATOM 1704 CB ILE B 63 0.361 13.628 5.500 1.00 0.00 C ATOM 1705 CG1 ILE B 63 -0.275 14.897 6.074 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.609 12.474 5.595 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.019 16.149 5.275 1.00 0.00 C ATOM 0 H ILE B 63 2.662 14.812 5.185 1.00 0.00 H new ATOM 0 HA ILE B 63 1.431 13.132 7.289 1.00 0.00 H new ATOM 0 HB ILE B 63 0.596 13.792 4.448 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -1.355 14.758 6.127 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.079 15.039 7.095 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.527 12.726 5.064 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.163 11.586 5.147 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.838 12.276 6.642 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.466 17.004 5.746 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.096 16.316 5.243 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.360 16.030 4.260 1.00 0.00 H new ATOM 1719 N GLN B 64 2.499 11.018 6.493 1.00 0.00 N ATOM 1720 CA GLN B 64 3.206 9.824 6.011 1.00 0.00 C ATOM 1721 C GLN B 64 2.521 8.519 6.386 1.00 0.00 C ATOM 1722 O GLN B 64 1.555 8.505 7.140 1.00 0.00 O ATOM 1723 CB GLN B 64 4.633 9.808 6.565 1.00 0.00 C ATOM 1724 CG GLN B 64 5.335 11.153 6.513 1.00 0.00 C ATOM 1725 CD GLN B 64 6.446 11.261 7.533 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.610 11.002 7.235 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.086 11.641 8.746 1.00 0.00 N ATOM 0 H GLN B 64 2.165 10.971 7.456 1.00 0.00 H new ATOM 0 HA GLN B 64 3.205 9.889 4.923 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.606 9.465 7.599 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.221 9.082 6.004 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.745 11.308 5.515 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.608 11.947 6.686 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.107 11.846 8.947 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.787 11.730 9.482 1.00 0.00 H new ATOM 1736 N LEU B 65 3.009 7.430 5.801 1.00 0.00 N ATOM 1737 CA LEU B 65 2.505 6.092 6.088 1.00 0.00 C ATOM 1738 C LEU B 65 3.643 5.227 6.632 1.00 0.00 C ATOM 1739 O LEU B 65 4.806 5.444 6.294 1.00 0.00 O ATOM 1740 CB LEU B 65 1.939 5.427 4.832 1.00 0.00 C ATOM 1741 CG LEU B 65 1.166 4.128 5.093 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.310 4.399 5.303 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.369 3.134 3.973 1.00 0.00 C ATOM 0 H LEU B 65 3.764 7.450 5.115 1.00 0.00 H new ATOM 0 HA LEU B 65 1.706 6.184 6.823 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.278 6.133 4.329 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.760 5.215 4.147 1.00 0.00 H new ATOM 0 HG LEU B 65 1.564 3.692 6.009 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.830 3.459 5.486 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.440 5.058 6.161 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.723 4.875 4.414 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.808 2.224 4.188 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.016 3.565 3.036 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.429 2.895 3.886 1.00 0.00 H new ATOM 1755 N GLN B 66 3.309 4.269 7.481 1.00 0.00 N ATOM 1756 CA GLN B 66 4.288 3.367 8.063 1.00 0.00 C ATOM 1757 C GLN B 66 3.822 1.923 7.939 1.00 0.00 C ATOM 1758 O GLN B 66 2.731 1.577 8.379 1.00 0.00 O ATOM 1759 CB GLN B 66 4.488 3.710 9.534 1.00 0.00 C ATOM 1760 CG GLN B 66 5.588 2.908 10.211 1.00 0.00 C ATOM 1761 CD GLN B 66 5.899 3.405 11.609 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.904 4.259 11.719 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.245 3.019 12.580 1.00 0.00 N flip ATOM 0 H GLN B 66 2.351 4.095 7.786 1.00 0.00 H new ATOM 0 HA GLN B 66 5.230 3.481 7.526 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.720 4.771 9.621 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.551 3.544 10.066 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.291 1.861 10.260 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.492 2.955 9.604 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.478 2.360 12.449 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.471 3.359 13.515 1.00 0.00 H new ATOM 1772 N LEU B 67 4.640 1.088 7.329 1.00 0.00 N ATOM 1773 CA LEU B 67 4.305 -0.319 7.174 1.00 0.00 C ATOM 1774 C LEU B 67 4.934 -1.143 8.281 1.00 0.00 C ATOM 1775 O LEU B 67 6.152 -1.279 8.330 1.00 0.00 O ATOM 1776 CB LEU B 67 4.799 -0.851 5.833 1.00 0.00 C ATOM 1777 CG LEU B 67 4.027 -0.383 4.605 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.515 -1.137 3.384 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.532 -0.584 4.798 1.00 0.00 C ATOM 0 H LEU B 67 5.541 1.356 6.932 1.00 0.00 H new ATOM 0 HA LEU B 67 3.219 -0.403 7.222 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.844 -0.564 5.713 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.770 -1.940 5.863 1.00 0.00 H new ATOM 0 HG LEU B 67 4.203 0.683 4.460 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.963 -0.803 2.505 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.578 -0.946 3.239 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.355 -2.205 3.528 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.001 -0.243 3.909 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.325 -1.642 4.961 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.197 -0.012 5.663 1.00 0.00 H new ATOM 1791 N VAL B 68 4.118 -1.682 9.170 1.00 0.00 N ATOM 1792 CA VAL B 68 4.632 -2.512 10.243 1.00 0.00 C ATOM 1793 C VAL B 68 4.519 -3.968 9.839 1.00 0.00 C ATOM 1794 O VAL B 68 3.418 -4.498 9.675 1.00 0.00 O ATOM 1795 CB VAL B 68 3.908 -2.270 11.582 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.249 -3.355 12.594 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.290 -0.913 12.130 1.00 0.00 C ATOM 0 H VAL B 68 3.105 -1.561 9.170 1.00 0.00 H new ATOM 0 HA VAL B 68 5.676 -2.243 10.403 1.00 0.00 H new ATOM 0 HB VAL B 68 2.833 -2.301 11.402 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.724 -3.158 13.529 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.944 -4.326 12.204 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.324 -3.359 12.775 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.776 -0.745 13.077 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.368 -0.875 12.290 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.002 -0.139 11.419 1.00 0.00 H new ATOM 1807 N LEU B 69 5.659 -4.604 9.669 1.00 0.00 N ATOM 1808 CA LEU B 69 5.701 -5.987 9.248 1.00 0.00 C ATOM 1809 C LEU B 69 5.441 -6.929 10.424 1.00 0.00 C ATOM 1810 O LEU B 69 5.197 -6.486 11.548 1.00 0.00 O ATOM 1811 CB LEU B 69 7.028 -6.304 8.569 1.00 0.00 C ATOM 1812 CG LEU B 69 7.391 -5.425 7.366 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.231 -6.214 6.385 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.163 -4.851 6.677 1.00 0.00 C ATOM 0 H LEU B 69 6.575 -4.181 9.817 1.00 0.00 H new ATOM 0 HA LEU B 69 4.905 -6.144 8.520 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.823 -6.218 9.310 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.008 -7.344 8.242 1.00 0.00 H new ATOM 0 HG LEU B 69 7.968 -4.579 7.740 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.485 -5.583 5.533 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.146 -6.547 6.875 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.668 -7.081 6.039 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.474 -4.236 5.832 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.532 -5.665 6.321 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.602 -4.239 7.384 1.00 0.00 H new ATOM 1826 N HIS B 70 5.495 -8.225 10.160 1.00 0.00 N ATOM 1827 CA HIS B 70 5.222 -9.237 11.181 1.00 0.00 C ATOM 1828 C HIS B 70 6.310 -9.345 12.252 1.00 0.00 C ATOM 1829 O HIS B 70 6.024 -9.771 13.370 1.00 0.00 O ATOM 1830 CB HIS B 70 5.017 -10.604 10.527 1.00 0.00 C ATOM 1831 CG HIS B 70 3.748 -10.708 9.741 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.591 -10.032 10.055 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.470 -11.425 8.625 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.667 -10.353 9.141 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.149 -11.194 8.255 1.00 0.00 N ATOM 0 H HIS B 70 5.726 -8.607 9.243 1.00 0.00 H new ATOM 0 HA HIS B 70 4.313 -8.912 11.688 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.860 -10.813 9.869 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.019 -11.372 11.301 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.162 -12.072 8.106 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.657 -9.970 9.133 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.655 -11.596 7.458 1.00 0.00 H new ATOM 1843 N ALA B 71 7.539 -8.962 11.937 1.00 0.00 N ATOM 1844 CA ALA B 71 8.625 -9.066 12.909 1.00 0.00 C ATOM 1845 C ALA B 71 8.875 -7.738 13.619 1.00 0.00 C ATOM 1846 O ALA B 71 9.866 -7.581 14.333 1.00 0.00 O ATOM 1847 CB ALA B 71 9.897 -9.557 12.233 1.00 0.00 C ATOM 0 H ALA B 71 7.810 -8.581 11.030 1.00 0.00 H new ATOM 0 HA ALA B 71 8.324 -9.792 13.665 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.696 -9.629 12.970 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.720 -10.538 11.793 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.187 -8.856 11.451 1.00 0.00 H new ATOM 1853 N GLY B 72 7.959 -6.797 13.442 1.00 0.00 N ATOM 1854 CA GLY B 72 8.110 -5.496 14.063 1.00 0.00 C ATOM 1855 C GLY B 72 8.880 -4.551 13.168 1.00 0.00 C ATOM 1856 O GLY B 72 9.365 -3.508 13.608 1.00 0.00 O ATOM 0 H GLY B 72 7.115 -6.910 12.881 1.00 0.00 H new ATOM 0 HA2 GLY B 72 7.127 -5.077 14.280 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.628 -5.603 15.016 1.00 0.00 H new ATOM 1860 N ASP B 73 8.976 -4.932 11.906 1.00 0.00 N ATOM 1861 CA ASP B 73 9.682 -4.156 10.902 1.00 0.00 C ATOM 1862 C ASP B 73 8.823 -2.976 10.506 1.00 0.00 C ATOM 1863 O ASP B 73 7.600 -3.056 10.580 1.00 0.00 O ATOM 1864 CB ASP B 73 9.969 -5.014 9.665 1.00 0.00 C ATOM 1865 CG ASP B 73 10.237 -6.470 9.995 1.00 0.00 C ATOM 1866 OD1 ASP B 73 9.263 -7.197 10.312 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.407 -6.892 9.925 1.00 0.00 O ATOM 0 H ASP B 73 8.564 -5.793 11.547 1.00 0.00 H new ATOM 0 HA ASP B 73 10.630 -3.813 11.315 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.120 -4.953 8.984 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.830 -4.603 9.138 1.00 0.00 H new ATOM 1872 N THR B 74 9.433 -1.887 10.085 1.00 0.00 N ATOM 1873 CA THR B 74 8.660 -0.719 9.706 1.00 0.00 C ATOM 1874 C THR B 74 9.256 0.002 8.505 1.00 0.00 C ATOM 1875 O THR B 74 10.457 0.271 8.459 1.00 0.00 O ATOM 1876 CB THR B 74 8.554 0.288 10.873 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.862 0.586 11.377 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.691 -0.248 12.004 1.00 0.00 C ATOM 0 H THR B 74 10.444 -1.785 9.997 1.00 0.00 H new ATOM 0 HA THR B 74 7.669 -1.090 9.443 1.00 0.00 H new ATOM 0 HB THR B 74 8.084 1.192 10.487 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.499 0.621 10.633 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.642 0.490 12.805 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.686 -0.447 11.632 1.00 0.00 H new ATOM 0 HG23 THR B 74 8.126 -1.171 12.387 1.00 0.00 H new ATOM 1886 N THR B 75 8.407 0.302 7.539 1.00 0.00 N ATOM 1887 CA THR B 75 8.816 1.022 6.347 1.00 0.00 C ATOM 1888 C THR B 75 8.058 2.344 6.269 1.00 0.00 C ATOM 1889 O THR B 75 6.832 2.354 6.134 1.00 0.00 O ATOM 1890 CB THR B 75 8.554 0.197 5.075 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.702 -1.201 5.364 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.519 0.596 3.967 1.00 0.00 C ATOM 0 H THR B 75 7.418 0.054 7.558 1.00 0.00 H new ATOM 0 HA THR B 75 9.888 1.209 6.411 1.00 0.00 H new ATOM 0 HB THR B 75 7.536 0.394 4.738 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.936 -1.682 4.543 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.317 0.001 3.077 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.389 1.653 3.734 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.543 0.420 4.296 1.00 0.00 H new ATOM 1900 N ASN B 76 8.780 3.449 6.381 1.00 0.00 N ATOM 1901 CA ASN B 76 8.166 4.774 6.345 1.00 0.00 C ATOM 1902 C ASN B 76 8.066 5.321 4.933 1.00 0.00 C ATOM 1903 O ASN B 76 9.002 5.218 4.146 1.00 0.00 O ATOM 1904 CB ASN B 76 8.959 5.759 7.204 1.00 0.00 C ATOM 1905 CG ASN B 76 8.472 5.813 8.634 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.643 6.959 9.264 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.945 4.838 9.166 1.00 0.00 N flip ATOM 0 H ASN B 76 9.793 3.457 6.498 1.00 0.00 H new ATOM 0 HA ASN B 76 7.157 4.661 6.742 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.012 5.477 7.194 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.891 6.754 6.764 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.832 3.970 8.642 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.621 4.897 10.131 1.00 0.00 H new ATOM 1914 N PHE B 77 6.919 5.903 4.624 1.00 0.00 N ATOM 1915 CA PHE B 77 6.682 6.501 3.323 1.00 0.00 C ATOM 1916 C PHE B 77 6.138 7.911 3.502 1.00 0.00 C ATOM 1917 O PHE B 77 4.977 8.100 3.867 1.00 0.00 O ATOM 1918 CB PHE B 77 5.706 5.650 2.508 1.00 0.00 C ATOM 1919 CG PHE B 77 6.255 4.299 2.152 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.634 3.144 2.595 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.400 4.188 1.381 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.145 1.901 2.275 1.00 0.00 C ATOM 1923 CE2 PHE B 77 7.915 2.949 1.057 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.287 1.804 1.504 1.00 0.00 C ATOM 0 H PHE B 77 6.130 5.974 5.266 1.00 0.00 H new ATOM 0 HA PHE B 77 7.625 6.548 2.778 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.784 5.523 3.075 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.446 6.182 1.593 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.740 3.215 3.197 1.00 0.00 H new ATOM 0 HD2 PHE B 77 7.896 5.081 1.029 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.652 1.007 2.627 1.00 0.00 H new ATOM 0 HE2 PHE B 77 8.808 2.876 0.454 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.688 0.834 1.251 1.00 0.00 H new ATOM 1934 N HIS B 78 6.991 8.891 3.258 1.00 0.00 N ATOM 1935 CA HIS B 78 6.626 10.293 3.394 1.00 0.00 C ATOM 1936 C HIS B 78 6.054 10.823 2.092 1.00 0.00 C ATOM 1937 O HIS B 78 6.723 10.822 1.062 1.00 0.00 O ATOM 1938 CB HIS B 78 7.868 11.100 3.809 1.00 0.00 C ATOM 1939 CG HIS B 78 7.763 12.597 3.649 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.848 13.410 3.390 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.691 13.425 3.721 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.411 14.670 3.314 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.109 14.736 3.506 1.00 0.00 N ATOM 0 H HIS B 78 7.955 8.739 2.960 1.00 0.00 H new ATOM 0 HA HIS B 78 5.859 10.394 4.162 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.088 10.880 4.854 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.718 10.750 3.223 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.674 13.116 3.914 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.043 15.524 3.120 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.528 15.574 3.499 1.00 0.00 H new ATOM 1951 N PHE B 79 4.814 11.274 2.145 1.00 0.00 N ATOM 1952 CA PHE B 79 4.167 11.828 0.976 1.00 0.00 C ATOM 1953 C PHE B 79 4.602 13.276 0.815 1.00 0.00 C ATOM 1954 O PHE B 79 3.952 14.194 1.311 1.00 0.00 O ATOM 1955 CB PHE B 79 2.646 11.715 1.103 1.00 0.00 C ATOM 1956 CG PHE B 79 2.167 10.294 1.224 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.709 9.610 0.113 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.182 9.643 2.446 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.272 8.304 0.218 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.746 8.338 2.558 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.290 7.667 1.442 1.00 0.00 C ATOM 0 H PHE B 79 4.237 11.266 2.986 1.00 0.00 H new ATOM 0 HA PHE B 79 4.461 11.268 0.088 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.318 12.278 1.977 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.180 12.176 0.233 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.693 10.103 -0.848 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.539 10.163 3.323 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.916 7.781 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.762 7.843 3.518 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.948 6.646 1.526 1.00 0.00 H new ATOM 1971 N SER B 80 5.722 13.463 0.131 1.00 0.00 N ATOM 1972 CA SER B 80 6.294 14.780 -0.092 1.00 0.00 C ATOM 1973 C SER B 80 5.521 15.575 -1.147 1.00 0.00 C ATOM 1974 O SER B 80 5.972 16.630 -1.593 1.00 0.00 O ATOM 1975 CB SER B 80 7.763 14.635 -0.487 1.00 0.00 C ATOM 1976 OG SER B 80 7.997 13.411 -1.165 1.00 0.00 O ATOM 0 H SER B 80 6.260 12.703 -0.285 1.00 0.00 H new ATOM 0 HA SER B 80 6.221 15.344 0.838 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.054 15.469 -1.126 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.388 14.684 0.405 1.00 0.00 H new ATOM 0 HG SER B 80 8.621 13.561 -1.905 1.00 0.00 H new ATOM 1982 N ASN B 81 4.369 15.057 -1.553 1.00 0.00 N ATOM 1983 CA ASN B 81 3.523 15.734 -2.530 1.00 0.00 C ATOM 1984 C ASN B 81 2.763 16.857 -1.837 1.00 0.00 C ATOM 1985 O ASN B 81 1.706 16.640 -1.261 1.00 0.00 O ATOM 1986 CB ASN B 81 2.548 14.742 -3.178 1.00 0.00 C ATOM 1987 CG ASN B 81 1.549 15.411 -4.108 1.00 0.00 C ATOM 1988 OD1 ASN B 81 1.811 16.474 -4.670 1.00 0.00 O ATOM 1989 ND2 ASN B 81 0.395 14.785 -4.281 1.00 0.00 N ATOM 0 H ASN B 81 3.997 14.167 -1.220 1.00 0.00 H new ATOM 0 HA ASN B 81 4.146 16.153 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.114 13.998 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.007 14.209 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -0.313 15.183 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.215 13.905 -3.798 1.00 0.00 H new ATOM 1996 N GLU B 82 3.307 18.057 -1.913 1.00 0.00 N ATOM 1997 CA GLU B 82 2.724 19.227 -1.265 1.00 0.00 C ATOM 1998 C GLU B 82 1.319 19.537 -1.777 1.00 0.00 C ATOM 1999 O GLU B 82 0.543 20.208 -1.098 1.00 0.00 O ATOM 2000 CB GLU B 82 3.639 20.448 -1.452 1.00 0.00 C ATOM 2001 CG GLU B 82 4.013 20.739 -2.905 1.00 0.00 C ATOM 2002 CD GLU B 82 5.141 19.861 -3.418 1.00 0.00 C ATOM 2003 OE1 GLU B 82 6.318 20.257 -3.298 1.00 0.00 O ATOM 2004 OE2 GLU B 82 4.857 18.759 -3.930 1.00 0.00 O ATOM 0 H GLU B 82 4.167 18.253 -2.425 1.00 0.00 H new ATOM 0 HA GLU B 82 2.636 18.997 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.145 21.325 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.553 20.294 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU B 82 3.135 20.597 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.305 21.785 -2.996 1.00 0.00 H new ATOM 2011 N SER B 83 0.992 19.045 -2.961 1.00 0.00 N ATOM 2012 CA SER B 83 -0.317 19.285 -3.541 1.00 0.00 C ATOM 2013 C SER B 83 -1.414 18.524 -2.791 1.00 0.00 C ATOM 2014 O SER B 83 -2.335 19.127 -2.242 1.00 0.00 O ATOM 2015 CB SER B 83 -0.312 18.878 -5.016 1.00 0.00 C ATOM 2016 OG SER B 83 0.974 19.058 -5.588 1.00 0.00 O ATOM 0 H SER B 83 1.614 18.478 -3.537 1.00 0.00 H new ATOM 0 HA SER B 83 -0.533 20.350 -3.455 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.613 17.835 -5.110 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.044 19.472 -5.563 1.00 0.00 H new ATOM 0 HG SER B 83 1.496 18.235 -5.485 1.00 0.00 H new ATOM 2022 N THR B 84 -1.315 17.201 -2.759 1.00 0.00 N ATOM 2023 CA THR B 84 -2.324 16.385 -2.097 1.00 0.00 C ATOM 2024 C THR B 84 -1.718 15.319 -1.178 1.00 0.00 C ATOM 2025 O THR B 84 -2.202 14.191 -1.145 1.00 0.00 O ATOM 2026 CB THR B 84 -3.227 15.707 -3.144 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.485 15.475 -4.350 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.443 16.568 -3.451 1.00 0.00 C ATOM 0 H THR B 84 -0.551 16.673 -3.181 1.00 0.00 H new ATOM 0 HA THR B 84 -2.911 17.058 -1.472 1.00 0.00 H new ATOM 0 HB THR B 84 -3.569 14.756 -2.736 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.735 14.605 -4.726 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.065 16.068 -4.193 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.019 16.722 -2.539 1.00 0.00 H new ATOM 0 HG23 THR B 84 -4.117 17.532 -3.841 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.689 15.687 -0.417 1.00 0.00 N ATOM 2037 CA ALA B 85 -0.004 14.755 0.496 1.00 0.00 C ATOM 2038 C ALA B 85 -0.974 14.002 1.393 1.00 0.00 C ATOM 2039 O ALA B 85 -0.817 12.807 1.636 1.00 0.00 O ATOM 2040 CB ALA B 85 0.995 15.501 1.365 1.00 0.00 C ATOM 0 H ALA B 85 -0.304 16.631 -0.411 1.00 0.00 H new ATOM 0 HA ALA B 85 0.512 14.028 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.492 14.798 2.033 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.737 15.986 0.731 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.473 16.255 1.954 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.986 14.707 1.861 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.975 14.122 2.753 1.00 0.00 C ATOM 2048 C VAL B 86 -3.861 13.140 1.991 1.00 0.00 C ATOM 2049 O VAL B 86 -4.111 12.024 2.440 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.852 15.218 3.401 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.977 14.610 4.226 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -3.023 16.145 4.262 1.00 0.00 C ATOM 0 H VAL B 86 -2.147 15.689 1.639 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.443 13.590 3.542 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.292 15.798 2.590 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.575 15.407 4.668 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.608 13.996 3.584 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.554 13.991 5.018 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.668 16.905 4.704 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.542 15.572 5.054 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.262 16.627 3.649 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.288 13.560 0.810 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.161 12.755 -0.031 1.00 0.00 C ATOM 2064 C LYS B 87 -4.462 11.484 -0.531 1.00 0.00 C ATOM 2065 O LYS B 87 -5.069 10.413 -0.544 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.679 13.612 -1.194 1.00 0.00 C ATOM 2067 CG LYS B 87 -6.214 12.823 -2.376 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.171 12.727 -3.471 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.673 11.929 -4.666 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.607 11.719 -5.684 1.00 0.00 N ATOM 0 H LYS B 87 -4.041 14.464 0.409 1.00 0.00 H new ATOM 0 HA LYS B 87 -6.009 12.420 0.566 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.469 14.264 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -4.871 14.256 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.502 11.823 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.113 13.303 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.892 13.730 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -4.270 12.258 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.045 10.963 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.513 12.451 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.042 11.487 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.042 12.587 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.991 10.936 -5.385 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.196 11.589 -0.941 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.473 10.411 -1.429 1.00 0.00 C ATOM 2086 C GLU B 88 -2.238 9.439 -0.282 1.00 0.00 C ATOM 2087 O GLU B 88 -2.335 8.225 -0.456 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.127 10.772 -2.075 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.140 12.028 -2.930 1.00 0.00 C ATOM 2090 CD GLU B 88 -2.017 11.907 -4.157 1.00 0.00 C ATOM 2091 OE1 GLU B 88 -2.277 12.941 -4.806 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -2.479 10.790 -4.470 1.00 0.00 O ATOM 0 H GLU B 88 -2.659 12.456 -0.946 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.093 9.950 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.384 10.895 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.801 9.934 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.486 12.867 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -0.121 12.258 -3.241 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.936 9.982 0.895 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.703 9.159 2.072 1.00 0.00 C ATOM 2101 C ARG B 89 -2.944 8.354 2.390 1.00 0.00 C ATOM 2102 O ARG B 89 -2.870 7.157 2.651 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.328 10.021 3.279 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.154 9.231 4.572 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.387 9.326 5.464 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.075 9.927 6.760 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.920 10.697 7.453 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -4.144 10.940 7.008 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.538 11.239 8.601 1.00 0.00 N ATOM 0 H ARG B 89 -1.848 10.985 1.056 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.873 8.485 1.857 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.401 10.551 3.061 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.099 10.777 3.427 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.956 8.186 4.335 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.285 9.605 5.113 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.153 9.919 4.964 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.803 8.330 5.616 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.154 9.747 7.161 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.455 10.537 6.124 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.776 11.530 7.550 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.598 11.069 8.957 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.185 11.826 9.128 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.084 9.023 2.360 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.352 8.380 2.651 1.00 0.00 C ATOM 2125 C ASP B 90 -5.723 7.383 1.569 1.00 0.00 C ATOM 2126 O ASP B 90 -6.336 6.360 1.857 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.455 9.415 2.849 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.561 9.825 4.302 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -5.513 10.132 4.911 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -7.678 9.787 4.854 1.00 0.00 O ATOM 0 H ASP B 90 -4.156 10.015 2.136 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.240 7.827 3.584 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.250 10.292 2.234 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.407 9.005 2.513 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.336 7.669 0.329 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.607 6.759 -0.768 1.00 0.00 C ATOM 2137 C ALA B 91 -4.887 5.441 -0.512 1.00 0.00 C ATOM 2138 O ALA B 91 -5.448 4.364 -0.698 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.175 7.365 -2.095 1.00 0.00 C ATOM 0 H ALA B 91 -4.838 8.519 0.065 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.680 6.577 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.388 6.664 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.721 8.293 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.105 7.573 -2.069 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.640 5.546 -0.064 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.835 4.375 0.253 1.00 0.00 C ATOM 2147 C VAL B 92 -3.332 3.736 1.543 1.00 0.00 C ATOM 2148 O VAL B 92 -3.418 2.518 1.656 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.342 4.743 0.424 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.521 3.529 0.828 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.788 5.355 -0.849 1.00 0.00 C ATOM 0 H VAL B 92 -3.164 6.436 0.088 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.931 3.676 -0.578 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.272 5.482 1.222 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.524 3.818 0.941 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.893 3.137 1.774 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.604 2.761 0.059 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.263 5.606 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.882 4.641 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.347 6.259 -1.091 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.690 4.585 2.492 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.161 4.156 3.798 1.00 0.00 C ATOM 2163 C LYS B 93 -5.427 3.319 3.677 1.00 0.00 C ATOM 2164 O LYS B 93 -5.481 2.181 4.145 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.424 5.390 4.666 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.784 5.073 6.104 1.00 0.00 C ATOM 2167 CD LYS B 93 -6.208 5.495 6.433 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.381 6.996 6.308 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.747 7.362 5.837 1.00 0.00 N ATOM 0 H LYS B 93 -3.662 5.598 2.377 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.395 3.534 4.262 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.537 6.023 4.656 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.233 5.969 4.220 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.671 4.003 6.280 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.090 5.581 6.774 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.903 4.990 5.763 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.457 5.181 7.447 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.193 7.465 7.274 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.640 7.390 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.829 8.397 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.912 6.950 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.455 6.994 6.505 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.433 3.887 3.031 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.715 3.222 2.849 1.00 0.00 C ATOM 2185 C ASP B 94 -7.591 1.990 1.962 1.00 0.00 C ATOM 2186 O ASP B 94 -8.221 0.956 2.215 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.734 4.201 2.270 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.508 4.927 3.355 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.742 4.738 3.432 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.883 5.654 4.160 1.00 0.00 O ATOM 0 H ASP B 94 -6.385 4.819 2.619 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.060 2.884 3.826 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.220 4.929 1.642 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.430 3.662 1.628 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.749 2.079 0.953 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.556 0.961 0.039 1.00 0.00 C ATOM 2197 C LEU B 95 -5.772 -0.138 0.736 1.00 0.00 C ATOM 2198 O LEU B 95 -5.898 -1.309 0.396 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.846 1.397 -1.244 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.953 0.407 -2.408 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.411 0.107 -2.723 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.245 0.948 -3.639 1.00 0.00 C ATOM 0 H LEU B 95 -6.189 2.905 0.742 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.536 0.580 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.257 2.355 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.792 1.561 -1.021 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.466 -0.522 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.466 -0.598 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.891 -0.326 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.922 1.030 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.333 0.230 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.702 1.892 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.192 1.111 -3.411 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.958 0.236 1.714 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.209 -0.750 2.466 1.00 0.00 C ATOM 2216 C LEU B 96 -5.164 -1.533 3.346 1.00 0.00 C ATOM 2217 O LEU B 96 -5.171 -2.750 3.293 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.097 -0.121 3.283 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.757 -0.022 2.560 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.729 0.651 3.444 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.272 -1.399 2.139 1.00 0.00 C ATOM 0 H LEU B 96 -4.803 1.203 1.999 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.725 -1.428 1.763 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.407 0.879 3.585 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.961 -0.702 4.195 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.895 0.583 1.664 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.221 0.714 2.914 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.070 1.655 3.699 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.598 0.070 4.357 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.315 -1.306 1.625 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.151 -2.028 3.021 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.002 -1.852 1.468 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.980 -0.849 4.160 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.983 -1.545 4.963 1.00 0.00 C ATOM 2235 C GLN B 97 -7.913 -2.362 4.059 1.00 0.00 C ATOM 2236 O GLN B 97 -8.704 -3.177 4.531 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.784 -0.557 5.803 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.909 0.810 5.180 1.00 0.00 C ATOM 2239 CD GLN B 97 -8.046 1.912 6.203 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.590 2.978 5.923 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.590 1.654 7.401 1.00 0.00 N ATOM 0 H GLN B 97 -5.964 0.164 4.276 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.469 -2.227 5.641 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.782 -0.962 5.971 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.312 -0.459 6.780 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -7.033 1.003 4.561 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.776 0.825 4.519 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.144 0.757 7.595 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.680 2.349 8.142 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.856 -2.082 2.764 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.617 -2.819 1.768 1.00 0.00 C ATOM 2252 C GLN B 98 -7.857 -4.055 1.267 1.00 0.00 C ATOM 2253 O GLN B 98 -8.400 -5.156 1.233 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.943 -1.904 0.587 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.263 -1.187 0.733 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.423 -2.106 0.442 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.840 -2.854 1.449 1.00 0.00 O flip ATOM 2258 NE2 GLN B 98 -11.920 -2.163 -0.677 1.00 0.00 N flip ATOM 0 H GLN B 98 -7.279 -1.336 2.375 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.537 -3.162 2.241 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.147 -1.167 0.477 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.958 -2.496 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.354 -0.792 1.745 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.293 -0.335 0.054 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.565 -1.566 -1.424 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.689 -2.808 -0.861 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.592 -3.865 0.904 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.765 -4.944 0.357 1.00 0.00 C ATOM 2269 C LEU B 99 -5.037 -5.771 1.420 1.00 0.00 C ATOM 2270 O LEU B 99 -4.771 -6.952 1.207 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.750 -4.358 -0.619 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.304 -4.041 -2.007 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.337 -3.164 -2.784 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.582 -5.324 -2.768 1.00 0.00 C ATOM 0 H LEU B 99 -6.112 -2.968 0.978 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.446 -5.629 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.340 -3.444 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.922 -5.059 -0.725 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.240 -3.495 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.751 -2.950 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.181 -2.229 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.385 -3.682 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.976 -5.083 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.657 -5.891 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.312 -5.920 -2.221 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.701 -5.161 2.546 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.997 -5.863 3.620 1.00 0.00 C ATOM 2288 C LEU B 100 -4.791 -7.087 4.118 1.00 0.00 C ATOM 2289 O LEU B 100 -4.241 -8.188 4.172 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.659 -4.903 4.774 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.405 -4.044 4.553 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.309 -2.915 5.579 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.160 -4.913 4.607 1.00 0.00 C ATOM 0 H LEU B 100 -4.902 -4.181 2.745 1.00 0.00 H new ATOM 0 HA LEU B 100 -3.059 -6.237 3.210 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.510 -4.242 4.939 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.527 -5.486 5.686 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.481 -3.588 3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.410 -2.328 5.392 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.185 -2.272 5.496 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.264 -3.338 6.582 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.277 -4.294 4.449 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.095 -5.396 5.582 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.213 -5.674 3.828 1.00 0.00 H new