USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 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 14 LYS NZ :NH3+ -165:sc= 1.73 (180deg=-0.118!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.99 K(o=4.5,f=-10!) USER MOD Set 1.3: B 84 THR OG1 : rot 88:sc= 0.737 USER MOD Set 2.1: B 54 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0) USER MOD Set 2.2: B 66 GLN : amide:sc= 2.25 K(o=-2.2,f=-8.7!) USER MOD Set 2.3: B 76 ASN : amide:sc= -5.68! C(o=-2.2!,f=-8.7!) USER MOD Set 3.1: B 56 SER OG : rot -179:sc= -0.794 USER MOD Set 3.2: B 60 LYS NZ :NH3+ -160:sc= -1.67 (180deg=-2.9!) USER MOD Set 3.3: B 64 GLN : amide:sc= 0.374 K(o=-2.1,f=-4.1) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 148:sc= 0.509 (180deg=0.767) USER MOD Set 4.2: B 52 CYS SG : rot 176:sc= -0.378 USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.59! C(o=-0.31!,f=-4.5!) USER MOD Set 5.2: B 75 THR OG1 : rot -139:sc= 1.28 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -140:sc= 1.2 (180deg=-0.00245) USER MOD Set 6.2: B 25 TYR OH : rot 130:sc= 1.06 USER MOD Set 7.1: A 414 LYS NZ :NH3+ 138:sc= -0.316 (180deg=-1.28) USER MOD Set 7.2: B 97 GLN : amide:sc= -5.19! C(o=-5.5!,f=-8.2!) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.384 F(o=-1.8!,f=-0.38) USER MOD Single : B 18 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.08) USER MOD Single : B 19 LYS NZ :NH3+ -175:sc= -0.352 (180deg=-0.403) USER MOD Single : B 20 GLN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot -19:sc= 0.65 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -126:sc= 0 (180deg=-0.116) USER MOD Single : B 47 TYR OH : rot -21:sc= 1.15 USER MOD Single : B 53 GLN : amide:sc= -4.13! C(o=-4.1!,f=-12!) USER MOD Single : B 62 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.017) USER MOD Single : B 70 HIS : no HD1:sc= -0.0803 K(o=-0.08,f=-2!) USER MOD Single : B 74 THR OG1 : rot 31:sc= 0.0207 USER MOD Single : B 78 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.12) USER MOD Single : B 80 SER OG : rot 42:sc= 0.233 USER MOD Single : B 83 SER OG : rot 74:sc= 1.24 USER MOD Single : B 87 LYS NZ :NH3+ 165:sc= 1.33 (180deg=1.1) USER MOD Single : B 93 LYS NZ :NH3+ -178:sc= 2.28 (180deg=2.22) USER MOD Single : B 98 GLN :FLIP amide:sc= -0.79 F(o=-2.3!,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.299 9.302 11.771 1.00 0.00 N ATOM 230 CA ASP A 405 9.877 7.904 11.822 1.00 0.00 C ATOM 231 C ASP A 405 8.979 7.633 13.019 1.00 0.00 C ATOM 232 O ASP A 405 8.751 6.482 13.387 1.00 0.00 O ATOM 233 CB ASP A 405 11.100 6.980 11.871 1.00 0.00 C ATOM 234 CG ASP A 405 12.091 7.261 10.759 1.00 0.00 C ATOM 235 OD1 ASP A 405 13.255 7.600 11.068 1.00 0.00 O ATOM 236 OD2 ASP A 405 11.708 7.161 9.573 1.00 0.00 O ATOM 0 HA ASP A 405 9.305 7.701 10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.598 7.095 12.834 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.770 5.943 11.804 1.00 0.00 H new ATOM 241 N GLU A 406 8.440 8.691 13.597 1.00 0.00 N ATOM 242 CA GLU A 406 7.580 8.561 14.758 1.00 0.00 C ATOM 243 C GLU A 406 6.275 9.322 14.552 1.00 0.00 C ATOM 244 O GLU A 406 6.181 10.156 13.650 1.00 0.00 O ATOM 245 CB GLU A 406 8.312 9.082 16.000 1.00 0.00 C ATOM 246 CG GLU A 406 7.501 9.000 17.284 1.00 0.00 C ATOM 247 CD GLU A 406 7.107 7.578 17.641 1.00 0.00 C ATOM 248 OE1 GLU A 406 6.130 7.065 17.045 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.768 6.976 18.508 1.00 0.00 O ATOM 0 H GLU A 406 8.583 9.650 13.281 1.00 0.00 H new ATOM 0 HA GLU A 406 7.337 7.508 14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 406 9.234 8.514 16.129 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.598 10.120 15.830 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.080 9.428 18.102 1.00 0.00 H new ATOM 0 HG3 GLU A 406 6.601 9.606 17.179 1.00 0.00 H new ATOM 256 N ASP A 407 5.280 8.995 15.378 1.00 0.00 N ATOM 257 CA ASP A 407 3.974 9.621 15.354 1.00 0.00 C ATOM 258 C ASP A 407 3.192 9.198 14.130 1.00 0.00 C ATOM 259 O ASP A 407 2.951 9.986 13.220 1.00 0.00 O ATOM 260 CB ASP A 407 4.064 11.139 15.470 1.00 0.00 C ATOM 261 CG ASP A 407 2.725 11.780 15.791 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.734 11.042 15.971 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.671 13.025 15.860 1.00 0.00 O ATOM 0 H ASP A 407 5.370 8.273 16.093 1.00 0.00 H new ATOM 0 HA ASP A 407 3.430 9.273 16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.783 11.398 16.247 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.444 11.549 14.535 1.00 0.00 H new ATOM 268 N PHE A 408 2.882 7.908 14.087 1.00 0.00 N ATOM 269 CA PHE A 408 2.079 7.327 13.033 1.00 0.00 C ATOM 270 C PHE A 408 0.949 6.576 13.690 1.00 0.00 C ATOM 271 O PHE A 408 1.169 5.715 14.544 1.00 0.00 O ATOM 272 CB PHE A 408 2.886 6.369 12.146 1.00 0.00 C ATOM 273 CG PHE A 408 3.905 7.027 11.263 1.00 0.00 C ATOM 274 CD1 PHE A 408 4.987 7.703 11.799 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.780 6.959 9.889 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.917 8.304 10.979 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.707 7.554 9.066 1.00 0.00 C ATOM 278 CZ PHE A 408 5.774 8.230 9.611 1.00 0.00 C ATOM 0 H PHE A 408 3.186 7.235 14.791 1.00 0.00 H new ATOM 0 HA PHE A 408 1.713 8.123 12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.394 5.647 12.785 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.193 5.808 11.519 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.104 7.760 12.871 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.943 6.432 9.455 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.756 8.832 11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.598 7.491 7.993 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.500 8.703 8.966 1.00 0.00 H new ATOM 288 N VAL A 409 -0.250 6.900 13.281 1.00 0.00 N ATOM 289 CA VAL A 409 -1.420 6.294 13.829 1.00 0.00 C ATOM 290 C VAL A 409 -1.680 4.992 13.130 1.00 0.00 C ATOM 291 O VAL A 409 -1.838 4.945 11.914 1.00 0.00 O ATOM 292 CB VAL A 409 -2.585 7.287 13.750 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.308 8.334 14.765 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.694 7.954 12.418 1.00 0.00 C ATOM 0 H VAL A 409 -0.436 7.594 12.557 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.287 6.054 14.884 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.518 6.749 13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.109 9.073 14.754 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.250 7.877 15.753 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.361 8.822 14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.537 8.645 12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.776 8.504 12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.849 7.201 11.645 1.00 0.00 H new ATOM 304 N GLU A 410 -1.678 3.931 13.914 1.00 0.00 N ATOM 305 CA GLU A 410 -1.842 2.600 13.383 1.00 0.00 C ATOM 306 C GLU A 410 -3.145 2.460 12.624 1.00 0.00 C ATOM 307 O GLU A 410 -4.239 2.562 13.181 1.00 0.00 O ATOM 308 CB GLU A 410 -1.728 1.548 14.493 1.00 0.00 C ATOM 309 CG GLU A 410 -1.366 0.160 13.979 1.00 0.00 C ATOM 310 CD GLU A 410 -0.508 -0.637 14.952 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.678 -1.881 15.027 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.356 -0.036 15.620 1.00 0.00 O ATOM 0 H GLU A 410 -1.564 3.970 14.927 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.034 2.426 12.673 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -0.974 1.869 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -2.675 1.493 15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.282 -0.395 13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.834 0.258 13.032 1.00 0.00 H new ATOM 319 N VAL A 411 -2.990 2.251 11.337 1.00 0.00 N ATOM 320 CA VAL A 411 -4.092 2.081 10.435 1.00 0.00 C ATOM 321 C VAL A 411 -4.529 0.625 10.448 1.00 0.00 C ATOM 322 O VAL A 411 -3.755 -0.274 10.080 1.00 0.00 O ATOM 323 CB VAL A 411 -3.726 2.505 8.999 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.978 2.615 8.162 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.982 3.801 9.005 1.00 0.00 C ATOM 0 H VAL A 411 -2.077 2.194 10.886 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.908 2.722 10.769 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.077 1.746 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.713 2.915 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.483 1.650 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.643 3.360 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.733 4.082 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.604 4.576 9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.065 3.692 9.584 1.00 0.00 H new ATOM 335 N PRO A 412 -5.766 0.375 10.897 1.00 0.00 N ATOM 336 CA PRO A 412 -6.325 -0.972 10.985 1.00 0.00 C ATOM 337 C PRO A 412 -6.751 -1.513 9.630 1.00 0.00 C ATOM 338 O PRO A 412 -6.750 -0.791 8.631 1.00 0.00 O ATOM 339 CB PRO A 412 -7.547 -0.775 11.881 1.00 0.00 C ATOM 340 CG PRO A 412 -7.992 0.611 11.575 1.00 0.00 C ATOM 341 CD PRO A 412 -6.731 1.398 11.351 1.00 0.00 C ATOM 0 HA PRO A 412 -5.601 -1.693 11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.327 -1.504 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.293 -0.890 12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.630 0.632 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.573 1.027 12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.872 2.178 10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.396 1.889 12.265 1.00 0.00 H new ATOM 349 N GLU A 413 -7.131 -2.778 9.615 1.00 0.00 N ATOM 350 CA GLU A 413 -7.571 -3.438 8.400 1.00 0.00 C ATOM 351 C GLU A 413 -9.084 -3.348 8.283 1.00 0.00 C ATOM 352 O GLU A 413 -9.783 -3.274 9.293 1.00 0.00 O ATOM 353 CB GLU A 413 -7.141 -4.906 8.422 1.00 0.00 C ATOM 354 CG GLU A 413 -5.719 -5.121 8.919 1.00 0.00 C ATOM 355 CD GLU A 413 -4.674 -4.766 7.882 1.00 0.00 C ATOM 356 OE1 GLU A 413 -3.628 -5.447 7.842 1.00 0.00 O ATOM 357 OE2 GLU A 413 -4.900 -3.818 7.105 1.00 0.00 O ATOM 0 H GLU A 413 -7.143 -3.375 10.442 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.116 -2.944 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.827 -5.466 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.231 -5.316 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.557 -4.518 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.595 -6.164 9.211 1.00 0.00 H new ATOM 364 N LYS A 414 -9.594 -3.339 7.060 1.00 0.00 N ATOM 365 CA LYS A 414 -11.031 -3.272 6.859 1.00 0.00 C ATOM 366 C LYS A 414 -11.554 -4.568 6.269 1.00 0.00 C ATOM 367 O LYS A 414 -12.510 -5.131 6.788 1.00 0.00 O ATOM 368 CB LYS A 414 -11.395 -2.097 5.961 1.00 0.00 C ATOM 369 CG LYS A 414 -11.692 -0.834 6.744 1.00 0.00 C ATOM 370 CD LYS A 414 -11.058 0.378 6.097 1.00 0.00 C ATOM 371 CE LYS A 414 -11.927 0.941 4.996 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.591 2.361 4.691 1.00 0.00 N ATOM 0 H LYS A 414 -9.042 -3.377 6.203 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.500 -3.123 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.575 -1.906 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.265 -2.360 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.770 -0.690 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.321 -0.940 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.884 1.145 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -10.084 0.106 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.807 0.339 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.974 0.871 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.594 2.505 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -12.296 2.987 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.648 2.584 5.069 1.00 0.00 H new ATOM 786 N VAL B 8 -0.271 -2.006 -11.454 1.00 0.00 N ATOM 787 CA VAL B 8 -0.193 -1.046 -10.366 1.00 0.00 C ATOM 788 C VAL B 8 -1.584 -0.530 -10.024 1.00 0.00 C ATOM 789 O VAL B 8 -2.176 0.242 -10.775 1.00 0.00 O ATOM 790 CB VAL B 8 0.724 0.145 -10.714 1.00 0.00 C ATOM 791 CG1 VAL B 8 1.028 0.963 -9.470 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.012 -0.338 -11.366 1.00 0.00 C ATOM 0 HA VAL B 8 0.235 -1.562 -9.506 1.00 0.00 H new ATOM 0 HB VAL B 8 0.201 0.783 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.676 1.799 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.098 1.344 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.529 0.334 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.643 0.518 -11.603 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.541 -1.000 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.775 -0.879 -12.282 1.00 0.00 H new ATOM 802 N LEU B 9 -2.094 -0.958 -8.880 1.00 0.00 N ATOM 803 CA LEU B 9 -3.422 -0.562 -8.435 1.00 0.00 C ATOM 804 C LEU B 9 -3.451 0.896 -7.991 1.00 0.00 C ATOM 805 O LEU B 9 -4.435 1.598 -8.211 1.00 0.00 O ATOM 806 CB LEU B 9 -3.886 -1.463 -7.287 1.00 0.00 C ATOM 807 CG LEU B 9 -3.941 -2.959 -7.607 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.466 -3.738 -6.413 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.806 -3.216 -8.834 1.00 0.00 C ATOM 0 H LEU B 9 -1.606 -1.583 -8.239 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.101 -0.672 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.218 -1.315 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.878 -1.139 -6.972 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.929 -3.300 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.499 -4.800 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.807 -3.582 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.469 -3.392 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.831 -4.285 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.819 -2.859 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.388 -2.688 -9.691 1.00 0.00 H new ATOM 821 N LEU B 10 -2.378 1.352 -7.359 1.00 0.00 N ATOM 822 CA LEU B 10 -2.322 2.733 -6.892 1.00 0.00 C ATOM 823 C LEU B 10 -0.962 3.361 -7.166 1.00 0.00 C ATOM 824 O LEU B 10 0.072 2.797 -6.817 1.00 0.00 O ATOM 825 CB LEU B 10 -2.633 2.786 -5.400 1.00 0.00 C ATOM 826 CG LEU B 10 -3.061 4.159 -4.871 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.492 4.481 -5.269 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.913 4.215 -3.365 1.00 0.00 C ATOM 0 H LEU B 10 -1.546 0.797 -7.159 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.069 3.306 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.425 2.068 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.750 2.461 -4.849 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.408 4.908 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.766 5.461 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.575 4.487 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.163 3.726 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.221 5.197 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.540 3.448 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.872 4.040 -3.095 1.00 0.00 H new ATOM 840 N ILE B 11 -0.970 4.530 -7.790 1.00 0.00 N ATOM 841 CA ILE B 11 0.262 5.238 -8.106 1.00 0.00 C ATOM 842 C ILE B 11 0.356 6.531 -7.308 1.00 0.00 C ATOM 843 O ILE B 11 -0.475 7.425 -7.455 1.00 0.00 O ATOM 844 CB ILE B 11 0.369 5.563 -9.613 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.374 4.271 -10.434 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.622 6.385 -9.897 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.538 4.488 -11.923 1.00 0.00 C ATOM 0 H ILE B 11 -1.819 5.010 -8.088 1.00 0.00 H new ATOM 0 HA ILE B 11 1.086 4.578 -7.837 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.499 6.155 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.182 3.631 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.559 3.736 -10.256 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.680 6.604 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.579 7.319 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.504 5.820 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.532 3.525 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.283 5.101 -12.294 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.484 4.994 -12.115 1.00 0.00 H new ATOM 859 N VAL B 12 1.362 6.606 -6.452 1.00 0.00 N ATOM 860 CA VAL B 12 1.599 7.778 -5.625 1.00 0.00 C ATOM 861 C VAL B 12 2.909 8.432 -6.050 1.00 0.00 C ATOM 862 O VAL B 12 3.883 7.734 -6.345 1.00 0.00 O ATOM 863 CB VAL B 12 1.670 7.394 -4.133 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.777 8.629 -3.259 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.458 6.565 -3.742 1.00 0.00 C ATOM 0 H VAL B 12 2.038 5.855 -6.311 1.00 0.00 H new ATOM 0 HA VAL B 12 0.772 8.476 -5.758 1.00 0.00 H new ATOM 0 HB VAL B 12 2.566 6.794 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.826 8.331 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.679 9.183 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.904 9.262 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.523 6.302 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.450 7.143 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.431 5.655 -4.342 1.00 0.00 H new ATOM 875 N LYS B 13 2.946 9.754 -6.085 1.00 0.00 N ATOM 876 CA LYS B 13 4.148 10.456 -6.511 1.00 0.00 C ATOM 877 C LYS B 13 4.758 11.293 -5.392 1.00 0.00 C ATOM 878 O LYS B 13 4.104 11.583 -4.393 1.00 0.00 O ATOM 879 CB LYS B 13 3.848 11.336 -7.727 1.00 0.00 C ATOM 880 CG LYS B 13 3.967 10.594 -9.051 1.00 0.00 C ATOM 881 CD LYS B 13 5.325 9.921 -9.180 1.00 0.00 C ATOM 882 CE LYS B 13 5.463 9.157 -10.486 1.00 0.00 C ATOM 883 NZ LYS B 13 6.789 8.489 -10.596 1.00 0.00 N ATOM 0 H LYS B 13 2.166 10.359 -5.827 1.00 0.00 H new ATOM 0 HA LYS B 13 4.882 9.698 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.840 11.740 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.533 12.184 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.178 9.845 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.823 11.291 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.110 10.675 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.471 9.238 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.672 8.410 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.330 9.841 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.142 8.576 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.461 8.941 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.692 7.483 -10.351 1.00 0.00 H new ATOM 897 N LYS B 14 6.023 11.674 -5.594 1.00 0.00 N ATOM 898 CA LYS B 14 6.783 12.480 -4.644 1.00 0.00 C ATOM 899 C LYS B 14 6.689 11.929 -3.223 1.00 0.00 C ATOM 900 O LYS B 14 6.167 12.582 -2.315 1.00 0.00 O ATOM 901 CB LYS B 14 6.301 13.924 -4.711 1.00 0.00 C ATOM 902 CG LYS B 14 7.062 14.772 -5.719 1.00 0.00 C ATOM 903 CD LYS B 14 6.287 16.025 -6.101 1.00 0.00 C ATOM 904 CE LYS B 14 6.210 17.019 -4.952 1.00 0.00 C ATOM 905 NZ LYS B 14 5.213 18.092 -5.216 1.00 0.00 N ATOM 0 H LYS B 14 6.550 11.427 -6.431 1.00 0.00 H new ATOM 0 HA LYS B 14 7.837 12.440 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.241 13.933 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.395 14.376 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.028 15.055 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.263 14.182 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.764 16.499 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.279 15.748 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.945 16.494 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.191 17.466 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.363 18.877 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.326 18.438 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.253 17.712 -5.093 1.00 0.00 H new ATOM 919 N VAL B 15 7.211 10.727 -3.043 1.00 0.00 N ATOM 920 CA VAL B 15 7.210 10.063 -1.752 1.00 0.00 C ATOM 921 C VAL B 15 8.640 9.744 -1.345 1.00 0.00 C ATOM 922 O VAL B 15 9.366 9.073 -2.077 1.00 0.00 O ATOM 923 CB VAL B 15 6.375 8.767 -1.778 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.538 7.982 -0.485 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.914 9.097 -2.018 1.00 0.00 C ATOM 0 H VAL B 15 7.647 10.185 -3.789 1.00 0.00 H new ATOM 0 HA VAL B 15 6.756 10.737 -1.026 1.00 0.00 H new ATOM 0 HB VAL B 15 6.737 8.142 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.938 7.074 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.587 7.717 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.207 8.592 0.355 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.331 8.176 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.550 9.742 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.809 9.610 -2.974 1.00 0.00 H new ATOM 935 N ARG B 16 9.037 10.219 -0.182 1.00 0.00 N ATOM 936 CA ARG B 16 10.392 10.010 0.297 1.00 0.00 C ATOM 937 C ARG B 16 10.461 8.950 1.385 1.00 0.00 C ATOM 938 O ARG B 16 9.598 8.871 2.258 1.00 0.00 O ATOM 939 CB ARG B 16 10.959 11.321 0.831 1.00 0.00 C ATOM 940 CG ARG B 16 10.806 12.477 -0.136 1.00 0.00 C ATOM 941 CD ARG B 16 11.147 13.797 0.520 1.00 0.00 C ATOM 942 NE ARG B 16 12.177 14.513 -0.219 1.00 0.00 N ATOM 943 CZ ARG B 16 13.097 15.282 0.347 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.108 15.448 1.665 1.00 0.00 N ATOM 945 NH2 ARG B 16 14.007 15.886 -0.402 1.00 0.00 N ATOM 0 H ARG B 16 8.442 10.753 0.451 1.00 0.00 H new ATOM 0 HA ARG B 16 10.984 9.658 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.459 11.571 1.767 1.00 0.00 H new ATOM 0 HB3 ARG B 16 12.016 11.185 1.060 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.454 12.320 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG B 16 9.782 12.508 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.251 14.414 0.586 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.487 13.620 1.540 1.00 0.00 H new ATOM 0 HE ARG B 16 12.192 14.417 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.408 14.983 2.243 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.817 16.040 2.099 1.00 0.00 H new ATOM 0 HH21 ARG B 16 14.000 15.760 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.715 16.478 0.033 1.00 0.00 H new ATOM 959 N GLN B 17 11.500 8.143 1.315 1.00 0.00 N ATOM 960 CA GLN B 17 11.743 7.098 2.288 1.00 0.00 C ATOM 961 C GLN B 17 13.139 7.286 2.869 1.00 0.00 C ATOM 962 O GLN B 17 14.129 7.000 2.204 1.00 0.00 O ATOM 963 CB GLN B 17 11.609 5.718 1.629 1.00 0.00 C ATOM 964 CG GLN B 17 11.770 4.550 2.593 1.00 0.00 C ATOM 965 CD GLN B 17 13.170 3.963 2.582 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.814 3.981 1.425 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 13.665 3.493 3.603 1.00 0.00 N flip ATOM 0 H GLN B 17 12.203 8.194 0.578 1.00 0.00 H new ATOM 0 HA GLN B 17 11.007 7.158 3.090 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.632 5.649 1.151 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.356 5.630 0.840 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.529 4.883 3.603 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.053 3.771 2.335 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.136 3.498 4.475 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.605 3.098 3.579 1.00 0.00 H new ATOM 976 N LYS B 18 13.202 7.803 4.095 1.00 0.00 N ATOM 977 CA LYS B 18 14.468 8.045 4.782 1.00 0.00 C ATOM 978 C LYS B 18 15.467 8.818 3.916 1.00 0.00 C ATOM 979 O LYS B 18 16.498 8.277 3.506 1.00 0.00 O ATOM 980 CB LYS B 18 15.057 6.724 5.256 1.00 0.00 C ATOM 981 CG LYS B 18 14.621 6.318 6.660 1.00 0.00 C ATOM 982 CD LYS B 18 15.101 7.302 7.722 1.00 0.00 C ATOM 983 CE LYS B 18 14.104 8.432 7.934 1.00 0.00 C ATOM 984 NZ LYS B 18 14.314 9.136 9.224 1.00 0.00 N ATOM 0 H LYS B 18 12.379 8.065 4.638 1.00 0.00 H new ATOM 0 HA LYS B 18 14.262 8.676 5.647 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.771 5.939 4.557 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.145 6.793 5.230 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.534 6.251 6.695 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.009 5.325 6.886 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.258 6.774 8.663 1.00 0.00 H new ATOM 0 HD3 LYS B 18 16.064 7.717 7.425 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.189 9.146 7.115 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.091 8.030 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.601 9.885 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.224 8.458 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.264 9.558 9.238 1.00 0.00 H new ATOM 998 N LYS B 19 15.122 10.074 3.616 1.00 0.00 N ATOM 999 CA LYS B 19 15.954 10.965 2.810 1.00 0.00 C ATOM 1000 C LYS B 19 16.093 10.525 1.353 1.00 0.00 C ATOM 1001 O LYS B 19 16.848 11.126 0.590 1.00 0.00 O ATOM 1002 CB LYS B 19 17.317 11.109 3.467 1.00 0.00 C ATOM 1003 CG LYS B 19 17.402 12.270 4.442 1.00 0.00 C ATOM 1004 CD LYS B 19 17.301 13.603 3.720 1.00 0.00 C ATOM 1005 CE LYS B 19 16.284 14.518 4.377 1.00 0.00 C ATOM 1006 NZ LYS B 19 14.900 13.975 4.281 1.00 0.00 N ATOM 0 H LYS B 19 14.251 10.502 3.929 1.00 0.00 H new ATOM 0 HA LYS B 19 15.451 11.931 2.773 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.557 10.185 3.993 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.073 11.240 2.692 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.601 12.190 5.177 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.343 12.220 4.989 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.277 14.088 3.713 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.021 13.434 2.680 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.547 14.658 5.426 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.322 15.500 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.227 14.669 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.670 13.786 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.835 13.091 4.825 1.00 0.00 H new ATOM 1020 N GLN B 20 15.363 9.495 0.961 1.00 0.00 N ATOM 1021 CA GLN B 20 15.405 9.019 -0.413 1.00 0.00 C ATOM 1022 C GLN B 20 14.106 9.387 -1.111 1.00 0.00 C ATOM 1023 O GLN B 20 13.038 8.942 -0.705 1.00 0.00 O ATOM 1024 CB GLN B 20 15.619 7.505 -0.454 1.00 0.00 C ATOM 1025 CG GLN B 20 16.999 7.069 0.008 1.00 0.00 C ATOM 1026 CD GLN B 20 16.983 5.716 0.691 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.074 4.674 0.040 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.871 5.719 2.009 1.00 0.00 N ATOM 0 H GLN B 20 14.735 8.973 1.572 1.00 0.00 H new ATOM 0 HA GLN B 20 16.241 9.492 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.868 7.024 0.172 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.459 7.152 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.670 7.031 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.401 7.814 0.695 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.798 6.603 2.513 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.858 4.837 2.522 1.00 0.00 H new ATOM 1037 N ASP B 21 14.194 10.209 -2.143 1.00 0.00 N ATOM 1038 CA ASP B 21 13.006 10.641 -2.876 1.00 0.00 C ATOM 1039 C ASP B 21 12.595 9.601 -3.908 1.00 0.00 C ATOM 1040 O ASP B 21 13.442 8.891 -4.456 1.00 0.00 O ATOM 1041 CB ASP B 21 13.257 11.984 -3.563 1.00 0.00 C ATOM 1042 CG ASP B 21 12.125 12.963 -3.333 1.00 0.00 C ATOM 1043 OD1 ASP B 21 12.392 14.071 -2.815 1.00 0.00 O ATOM 1044 OD2 ASP B 21 10.969 12.620 -3.651 1.00 0.00 O ATOM 0 H ASP B 21 15.071 10.592 -2.495 1.00 0.00 H new ATOM 0 HA ASP B 21 12.194 10.757 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP B 21 14.187 12.413 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.386 11.824 -4.634 1.00 0.00 H new ATOM 1049 N GLY B 22 11.299 9.509 -4.170 1.00 0.00 N ATOM 1050 CA GLY B 22 10.811 8.546 -5.134 1.00 0.00 C ATOM 1051 C GLY B 22 9.301 8.538 -5.243 1.00 0.00 C ATOM 1052 O GLY B 22 8.647 9.559 -5.038 1.00 0.00 O ATOM 0 H GLY B 22 10.578 10.083 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.240 8.768 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.156 7.551 -4.853 1.00 0.00 H new ATOM 1056 N ALA B 23 8.749 7.380 -5.565 1.00 0.00 N ATOM 1057 CA ALA B 23 7.312 7.228 -5.709 1.00 0.00 C ATOM 1058 C ALA B 23 6.851 5.889 -5.159 1.00 0.00 C ATOM 1059 O ALA B 23 7.587 4.901 -5.201 1.00 0.00 O ATOM 1060 CB ALA B 23 6.919 7.371 -7.168 1.00 0.00 C ATOM 0 H ALA B 23 9.280 6.525 -5.733 1.00 0.00 H new ATOM 0 HA ALA B 23 6.821 8.013 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.840 7.256 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.213 8.356 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.421 6.604 -7.757 1.00 0.00 H new ATOM 1066 N LEU B 24 5.630 5.861 -4.649 1.00 0.00 N ATOM 1067 CA LEU B 24 5.063 4.650 -4.081 1.00 0.00 C ATOM 1068 C LEU B 24 4.033 4.060 -5.031 1.00 0.00 C ATOM 1069 O LEU B 24 3.171 4.767 -5.548 1.00 0.00 O ATOM 1070 CB LEU B 24 4.425 4.940 -2.724 1.00 0.00 C ATOM 1071 CG LEU B 24 4.004 3.698 -1.943 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.204 3.045 -1.280 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.943 4.049 -0.913 1.00 0.00 C ATOM 0 H LEU B 24 5.009 6.670 -4.617 1.00 0.00 H new ATOM 0 HA LEU B 24 5.865 3.927 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.130 5.512 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.550 5.572 -2.876 1.00 0.00 H new ATOM 0 HG LEU B 24 3.576 2.982 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.880 2.162 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.926 2.752 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.669 3.751 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.656 3.151 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.342 4.786 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.069 4.462 -1.417 1.00 0.00 H new ATOM 1085 N TYR B 25 4.135 2.768 -5.268 1.00 0.00 N ATOM 1086 CA TYR B 25 3.220 2.082 -6.164 1.00 0.00 C ATOM 1087 C TYR B 25 2.573 0.884 -5.477 1.00 0.00 C ATOM 1088 O TYR B 25 3.256 -0.072 -5.104 1.00 0.00 O ATOM 1089 CB TYR B 25 3.960 1.619 -7.425 1.00 0.00 C ATOM 1090 CG TYR B 25 4.726 2.719 -8.133 1.00 0.00 C ATOM 1091 CD1 TYR B 25 6.086 2.902 -7.906 1.00 0.00 C ATOM 1092 CD2 TYR B 25 4.092 3.572 -9.028 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.789 3.902 -8.549 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.790 4.576 -9.675 1.00 0.00 C ATOM 1095 CZ TYR B 25 6.138 4.737 -9.432 1.00 0.00 C ATOM 1096 OH TYR B 25 6.838 5.737 -10.075 1.00 0.00 O ATOM 0 H TYR B 25 4.846 2.167 -4.851 1.00 0.00 H new ATOM 0 HA TYR B 25 2.435 2.784 -6.444 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.655 0.824 -7.154 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.238 1.189 -8.119 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.601 2.251 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.037 3.449 -9.222 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.845 4.029 -8.361 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.282 5.231 -10.367 1.00 0.00 H new ATOM 0 HH TYR B 25 6.657 5.696 -11.037 1.00 0.00 H new ATOM 1106 N LEU B 26 1.260 0.949 -5.287 1.00 0.00 N ATOM 1107 CA LEU B 26 0.530 -0.153 -4.679 1.00 0.00 C ATOM 1108 C LEU B 26 0.249 -1.176 -5.756 1.00 0.00 C ATOM 1109 O LEU B 26 -0.273 -0.833 -6.816 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.786 0.297 -4.043 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.657 1.243 -2.852 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.883 1.144 -1.958 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.597 0.950 -2.056 1.00 0.00 C ATOM 0 H LEU B 26 0.683 1.750 -5.544 1.00 0.00 H new ATOM 0 HA LEU B 26 1.140 -0.573 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.389 0.786 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.335 -0.589 -3.722 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.585 2.260 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.774 1.825 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.772 1.413 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.983 0.123 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.663 1.639 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.561 -0.074 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.471 1.074 -2.695 1.00 0.00 H new ATOM 1125 N MET B 27 0.588 -2.418 -5.497 1.00 0.00 N ATOM 1126 CA MET B 27 0.403 -3.459 -6.484 1.00 0.00 C ATOM 1127 C MET B 27 -0.607 -4.482 -5.994 1.00 0.00 C ATOM 1128 O MET B 27 -0.940 -4.513 -4.810 1.00 0.00 O ATOM 1129 CB MET B 27 1.733 -4.136 -6.770 1.00 0.00 C ATOM 1130 CG MET B 27 2.932 -3.226 -6.559 1.00 0.00 C ATOM 1131 SD MET B 27 4.424 -3.836 -7.352 1.00 0.00 S ATOM 1132 CE MET B 27 4.241 -3.048 -8.941 1.00 0.00 C ATOM 0 H MET B 27 0.992 -2.732 -4.615 1.00 0.00 H new ATOM 0 HA MET B 27 0.023 -3.010 -7.402 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.833 -5.011 -6.127 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.735 -4.495 -7.799 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.701 -2.234 -6.947 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.114 -3.116 -5.490 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.085 -3.313 -9.578 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.315 -3.382 -9.408 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.212 -1.966 -8.810 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.054 -5.335 -6.907 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.055 -6.357 -6.614 1.00 0.00 C ATOM 1144 C ALA B 28 -1.768 -7.147 -5.333 1.00 0.00 C ATOM 1145 O ALA B 28 -2.633 -7.242 -4.465 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.197 -7.299 -7.802 1.00 0.00 C ATOM 0 H ALA B 28 -0.733 -5.339 -7.875 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.995 -5.833 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.945 -8.059 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.508 -6.733 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.240 -7.781 -8.001 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.565 -7.695 -5.191 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.251 -8.482 -3.999 1.00 0.00 C ATOM 1154 C GLU B 29 0.852 -7.851 -3.149 1.00 0.00 C ATOM 1155 O GLU B 29 1.330 -8.474 -2.192 1.00 0.00 O ATOM 1156 CB GLU B 29 0.183 -9.902 -4.377 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.520 -10.484 -5.593 1.00 0.00 C ATOM 1158 CD GLU B 29 0.133 -11.769 -6.068 1.00 0.00 C ATOM 1159 OE1 GLU B 29 1.373 -11.903 -5.910 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -0.580 -12.639 -6.601 1.00 0.00 O ATOM 0 H GLU B 29 0.194 -7.613 -5.868 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.169 -8.510 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.257 -9.901 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.007 -10.559 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.565 -10.677 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.511 -9.753 -6.401 1.00 0.00 H new ATOM 1167 N ARG B 30 1.250 -6.621 -3.448 1.00 0.00 N ATOM 1168 CA ARG B 30 2.329 -6.006 -2.678 1.00 0.00 C ATOM 1169 C ARG B 30 2.368 -4.496 -2.832 1.00 0.00 C ATOM 1170 O ARG B 30 1.651 -3.922 -3.633 1.00 0.00 O ATOM 1171 CB ARG B 30 3.681 -6.600 -3.102 1.00 0.00 C ATOM 1172 CG ARG B 30 4.192 -6.105 -4.451 1.00 0.00 C ATOM 1173 CD ARG B 30 4.941 -7.198 -5.198 1.00 0.00 C ATOM 1174 NE ARG B 30 4.039 -7.987 -6.031 1.00 0.00 N ATOM 1175 CZ ARG B 30 3.677 -9.245 -5.785 1.00 0.00 C ATOM 1176 NH1 ARG B 30 4.248 -9.939 -4.807 1.00 0.00 N ATOM 1177 NH2 ARG B 30 2.759 -9.814 -6.548 1.00 0.00 N ATOM 0 H ARG B 30 0.859 -6.043 -4.192 1.00 0.00 H new ATOM 0 HA ARG B 30 2.135 -6.223 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.422 -6.366 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.592 -7.686 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.353 -5.760 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.850 -5.249 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.716 -6.750 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.443 -7.850 -4.484 1.00 0.00 H new ATOM 0 HE ARG B 30 3.657 -7.541 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.974 -9.509 -4.233 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.961 -10.902 -4.630 1.00 0.00 H new ATOM 0 HH21 ARG B 30 2.337 -9.290 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG B 30 2.473 -10.777 -6.370 1.00 0.00 H new ATOM 1191 N ILE B 31 3.204 -3.869 -2.029 1.00 0.00 N ATOM 1192 CA ILE B 31 3.402 -2.435 -2.074 1.00 0.00 C ATOM 1193 C ILE B 31 4.883 -2.176 -2.300 1.00 0.00 C ATOM 1194 O ILE B 31 5.728 -2.681 -1.557 1.00 0.00 O ATOM 1195 CB ILE B 31 2.916 -1.734 -0.777 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.526 -0.331 -0.651 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.246 -2.573 0.447 1.00 0.00 C ATOM 1198 CD1 ILE B 31 3.021 0.448 0.547 1.00 0.00 C ATOM 0 H ILE B 31 3.768 -4.343 -1.323 1.00 0.00 H new ATOM 0 HA ILE B 31 2.808 -2.018 -2.887 1.00 0.00 H new ATOM 0 HB ILE B 31 1.833 -1.629 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.610 -0.421 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.308 0.233 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.896 -2.062 1.344 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.754 -3.543 0.367 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.325 -2.717 0.509 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.496 1.429 0.570 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.940 0.570 0.472 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.263 -0.094 1.461 1.00 0.00 H new ATOM 1210 N ALA B 32 5.203 -1.427 -3.337 1.00 0.00 N ATOM 1211 CA ALA B 32 6.589 -1.159 -3.653 1.00 0.00 C ATOM 1212 C ALA B 32 6.870 0.328 -3.789 1.00 0.00 C ATOM 1213 O ALA B 32 5.998 1.114 -4.157 1.00 0.00 O ATOM 1214 CB ALA B 32 6.977 -1.892 -4.925 1.00 0.00 C ATOM 0 H ALA B 32 4.528 -0.997 -3.969 1.00 0.00 H new ATOM 0 HA ALA B 32 7.195 -1.523 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.022 -1.687 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.841 -2.964 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.348 -1.552 -5.747 1.00 0.00 H new ATOM 1220 N TRP B 33 8.099 0.698 -3.481 1.00 0.00 N ATOM 1221 CA TRP B 33 8.543 2.075 -3.571 1.00 0.00 C ATOM 1222 C TRP B 33 9.821 2.127 -4.392 1.00 0.00 C ATOM 1223 O TRP B 33 10.737 1.326 -4.181 1.00 0.00 O ATOM 1224 CB TRP B 33 8.776 2.660 -2.172 1.00 0.00 C ATOM 1225 CG TRP B 33 9.346 4.049 -2.181 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.649 5.225 -2.193 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.734 4.406 -2.179 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.521 6.287 -2.205 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.804 5.809 -2.196 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.923 3.672 -2.167 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.015 6.492 -2.201 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.125 4.352 -2.171 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.162 5.749 -2.189 1.00 0.00 C ATOM 0 H TRP B 33 8.819 0.050 -3.161 1.00 0.00 H new ATOM 0 HA TRP B 33 7.773 2.674 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.830 2.669 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.451 2.004 -1.622 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.572 5.307 -2.193 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.255 7.272 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.902 2.592 -2.155 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.048 7.571 -2.214 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.051 3.796 -2.160 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.118 6.252 -2.194 1.00 0.00 H new ATOM 1244 N ALA B 34 9.878 3.056 -5.328 1.00 0.00 N ATOM 1245 CA ALA B 34 11.042 3.203 -6.180 1.00 0.00 C ATOM 1246 C ALA B 34 11.418 4.664 -6.319 1.00 0.00 C ATOM 1247 O ALA B 34 10.543 5.521 -6.426 1.00 0.00 O ATOM 1248 CB ALA B 34 10.771 2.605 -7.552 1.00 0.00 C ATOM 0 H ALA B 34 9.129 3.722 -5.517 1.00 0.00 H new ATOM 0 HA ALA B 34 11.874 2.670 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.653 2.723 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.538 1.545 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.927 3.118 -8.012 1.00 0.00 H new ATOM 1254 N PRO B 35 12.722 4.972 -6.286 1.00 0.00 N ATOM 1255 CA PRO B 35 13.204 6.342 -6.441 1.00 0.00 C ATOM 1256 C PRO B 35 12.798 6.900 -7.802 1.00 0.00 C ATOM 1257 O PRO B 35 12.786 6.168 -8.798 1.00 0.00 O ATOM 1258 CB PRO B 35 14.730 6.213 -6.338 1.00 0.00 C ATOM 1259 CG PRO B 35 15.018 4.773 -6.594 1.00 0.00 C ATOM 1260 CD PRO B 35 13.822 4.016 -6.094 1.00 0.00 C ATOM 0 HA PRO B 35 12.791 7.022 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.229 6.850 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.085 6.517 -5.353 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.179 4.590 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.924 4.458 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.661 3.097 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.932 3.733 -5.047 1.00 0.00 H new ATOM 1368 N THR B 42 13.050 -0.392 -4.996 1.00 0.00 N ATOM 1369 CA THR B 42 14.040 -0.820 -4.022 1.00 0.00 C ATOM 1370 C THR B 42 13.352 -1.374 -2.780 1.00 0.00 C ATOM 1371 O THR B 42 13.901 -2.209 -2.062 1.00 0.00 O ATOM 1372 CB THR B 42 14.957 0.351 -3.632 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.233 1.586 -3.737 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.185 0.401 -4.530 1.00 0.00 C ATOM 0 HA THR B 42 14.647 -1.605 -4.473 1.00 0.00 H new ATOM 0 HB THR B 42 15.287 0.203 -2.604 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.448 1.457 -4.310 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.818 1.238 -4.234 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.745 -0.529 -4.433 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.873 0.531 -5.566 1.00 0.00 H new ATOM 1382 N ILE B 43 12.141 -0.895 -2.540 1.00 0.00 N ATOM 1383 CA ILE B 43 11.348 -1.333 -1.403 1.00 0.00 C ATOM 1384 C ILE B 43 10.189 -2.186 -1.894 1.00 0.00 C ATOM 1385 O ILE B 43 9.387 -1.728 -2.705 1.00 0.00 O ATOM 1386 CB ILE B 43 10.792 -0.133 -0.603 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.931 0.772 -0.117 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.949 -0.611 0.572 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.861 0.110 0.877 1.00 0.00 C ATOM 0 H ILE B 43 11.683 -0.196 -3.124 1.00 0.00 H new ATOM 0 HA ILE B 43 11.995 -1.913 -0.744 1.00 0.00 H new ATOM 0 HB ILE B 43 10.153 0.449 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.512 1.102 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.503 1.664 0.340 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.568 0.250 1.121 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.113 -1.204 0.202 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.562 -1.221 1.235 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.639 0.814 1.172 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.295 -0.196 1.757 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.320 -0.766 0.418 1.00 0.00 H new ATOM 1401 N SER B 44 10.107 -3.419 -1.420 1.00 0.00 N ATOM 1402 CA SER B 44 9.043 -4.319 -1.831 1.00 0.00 C ATOM 1403 C SER B 44 8.512 -5.106 -0.638 1.00 0.00 C ATOM 1404 O SER B 44 9.239 -5.884 -0.020 1.00 0.00 O ATOM 1405 CB SER B 44 9.554 -5.275 -2.913 1.00 0.00 C ATOM 1406 OG SER B 44 8.555 -6.203 -3.304 1.00 0.00 O ATOM 0 H SER B 44 10.765 -3.819 -0.751 1.00 0.00 H new ATOM 0 HA SER B 44 8.225 -3.725 -2.240 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.879 -4.702 -3.781 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.426 -5.813 -2.541 1.00 0.00 H new ATOM 0 HG SER B 44 8.913 -6.797 -3.996 1.00 0.00 H new ATOM 1412 N HIS B 45 7.250 -4.881 -0.309 1.00 0.00 N ATOM 1413 CA HIS B 45 6.612 -5.574 0.802 1.00 0.00 C ATOM 1414 C HIS B 45 5.286 -6.154 0.364 1.00 0.00 C ATOM 1415 O HIS B 45 4.446 -5.445 -0.186 1.00 0.00 O ATOM 1416 CB HIS B 45 6.378 -4.624 1.981 1.00 0.00 C ATOM 1417 CG HIS B 45 7.629 -4.175 2.669 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.443 -5.003 3.407 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.196 -2.946 2.727 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.455 -4.268 3.881 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.354 -3.011 3.495 1.00 0.00 N ATOM 0 H HIS B 45 6.644 -4.221 -0.797 1.00 0.00 H new ATOM 0 HA HIS B 45 7.278 -6.376 1.120 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.839 -3.747 1.624 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.735 -5.119 2.709 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.300 -6.001 3.565 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.810 -2.056 2.252 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.252 -4.654 4.500 1.00 0.00 H new ATOM 1429 N MET B 46 5.096 -7.442 0.584 1.00 0.00 N ATOM 1430 CA MET B 46 3.844 -8.067 0.225 1.00 0.00 C ATOM 1431 C MET B 46 2.857 -7.833 1.341 1.00 0.00 C ATOM 1432 O MET B 46 3.234 -7.785 2.510 1.00 0.00 O ATOM 1433 CB MET B 46 4.001 -9.566 -0.024 1.00 0.00 C ATOM 1434 CG MET B 46 4.430 -9.911 -1.436 1.00 0.00 C ATOM 1435 SD MET B 46 4.406 -11.689 -1.748 1.00 0.00 S ATOM 1436 CE MET B 46 2.645 -11.984 -1.917 1.00 0.00 C ATOM 0 H MET B 46 5.785 -8.066 1.004 1.00 0.00 H new ATOM 0 HA MET B 46 3.489 -7.624 -0.705 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.734 -9.966 0.676 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.054 -10.061 0.189 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.770 -9.412 -2.145 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.435 -9.528 -1.611 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.341 -12.773 -1.229 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.099 -11.070 -1.685 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.424 -12.289 -2.940 1.00 0.00 H new ATOM 1446 N TYR B 47 1.602 -7.682 0.977 1.00 0.00 N ATOM 1447 CA TYR B 47 0.546 -7.445 1.951 1.00 0.00 C ATOM 1448 C TYR B 47 0.529 -8.533 3.017 1.00 0.00 C ATOM 1449 O TYR B 47 0.276 -8.263 4.187 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.812 -7.382 1.249 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.922 -6.250 0.255 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -1.479 -6.452 -0.999 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -0.458 -4.979 0.570 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -1.571 -5.419 -1.911 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -0.549 -3.942 -0.337 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.104 -4.168 -1.574 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.192 -3.139 -2.482 1.00 0.00 O ATOM 0 H TYR B 47 1.282 -7.719 0.009 1.00 0.00 H new ATOM 0 HA TYR B 47 0.744 -6.491 2.440 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.991 -8.326 0.734 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.596 -7.274 1.999 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.846 -7.432 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.019 -4.799 1.540 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.007 -5.591 -2.884 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.186 -2.959 -0.076 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.282 -3.507 -3.386 1.00 0.00 H new ATOM 1467 N ALA B 48 0.855 -9.750 2.604 1.00 0.00 N ATOM 1468 CA ALA B 48 0.856 -10.904 3.495 1.00 0.00 C ATOM 1469 C ALA B 48 1.966 -10.860 4.551 1.00 0.00 C ATOM 1470 O ALA B 48 1.872 -11.552 5.568 1.00 0.00 O ATOM 1471 CB ALA B 48 0.959 -12.180 2.673 1.00 0.00 C ATOM 0 H ALA B 48 1.126 -9.966 1.645 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.085 -10.882 4.045 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.960 -13.043 3.339 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.108 -12.246 1.995 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.883 -12.167 2.095 1.00 0.00 H new ATOM 1477 N ASP B 49 3.001 -10.048 4.331 1.00 0.00 N ATOM 1478 CA ASP B 49 4.111 -9.963 5.287 1.00 0.00 C ATOM 1479 C ASP B 49 3.938 -8.777 6.232 1.00 0.00 C ATOM 1480 O ASP B 49 4.695 -8.618 7.195 1.00 0.00 O ATOM 1481 CB ASP B 49 5.471 -9.814 4.579 1.00 0.00 C ATOM 1482 CG ASP B 49 5.556 -10.469 3.211 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.298 -11.687 3.091 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.919 -9.769 2.241 1.00 0.00 O ATOM 0 H ASP B 49 3.096 -9.447 3.512 1.00 0.00 H new ATOM 0 HA ASP B 49 4.096 -10.896 5.850 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.694 -8.752 4.472 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.245 -10.239 5.218 1.00 0.00 H new ATOM 1489 N ILE B 50 2.946 -7.947 5.962 1.00 0.00 N ATOM 1490 CA ILE B 50 2.700 -6.764 6.775 1.00 0.00 C ATOM 1491 C ILE B 50 1.661 -7.048 7.867 1.00 0.00 C ATOM 1492 O ILE B 50 0.598 -7.601 7.591 1.00 0.00 O ATOM 1493 CB ILE B 50 2.221 -5.595 5.892 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.202 -5.369 4.739 1.00 0.00 C ATOM 1495 CG2 ILE B 50 2.069 -4.327 6.717 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.699 -4.407 3.685 1.00 0.00 C ATOM 0 H ILE B 50 2.296 -8.069 5.186 1.00 0.00 H new ATOM 0 HA ILE B 50 3.639 -6.490 7.256 1.00 0.00 H new ATOM 0 HB ILE B 50 1.246 -5.851 5.477 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.141 -4.991 5.143 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.420 -6.327 4.268 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.730 -3.514 6.075 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.338 -4.493 7.508 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.030 -4.064 7.160 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.450 -4.300 2.902 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.776 -4.792 3.252 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.508 -3.435 4.141 1.00 0.00 H new ATOM 1508 N LYS B 51 1.966 -6.669 9.107 1.00 0.00 N ATOM 1509 CA LYS B 51 1.047 -6.881 10.227 1.00 0.00 C ATOM 1510 C LYS B 51 -0.085 -5.865 10.169 1.00 0.00 C ATOM 1511 O LYS B 51 -1.257 -6.205 10.322 1.00 0.00 O ATOM 1512 CB LYS B 51 1.783 -6.755 11.573 1.00 0.00 C ATOM 1513 CG LYS B 51 0.851 -6.635 12.778 1.00 0.00 C ATOM 1514 CD LYS B 51 1.615 -6.397 14.076 1.00 0.00 C ATOM 1515 CE LYS B 51 1.578 -4.931 14.503 1.00 0.00 C ATOM 1516 NZ LYS B 51 0.214 -4.493 14.927 1.00 0.00 N ATOM 0 H LYS B 51 2.842 -6.213 9.363 1.00 0.00 H new ATOM 0 HA LYS B 51 0.639 -7.889 10.147 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.425 -7.625 11.708 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.433 -5.881 11.540 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.152 -5.815 12.614 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.258 -7.545 12.869 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.188 -7.015 14.866 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.651 -6.711 13.949 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.277 -4.778 15.325 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.916 -4.306 13.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 0.297 -3.768 15.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.293 -4.097 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.313 -5.309 15.298 1.00 0.00 H new ATOM 1530 N CYS B 52 0.290 -4.624 9.941 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.653 -3.522 9.861 1.00 0.00 C ATOM 1532 C CYS B 52 0.066 -2.311 9.312 1.00 0.00 C ATOM 1533 O CYS B 52 1.256 -2.384 8.998 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.221 -3.194 11.236 1.00 0.00 C ATOM 1535 SG CYS B 52 0.055 -2.837 12.458 1.00 0.00 S ATOM 0 H CYS B 52 1.262 -4.347 9.805 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.479 -3.805 9.208 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.887 -2.335 11.153 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.824 -4.033 11.583 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.503 -2.473 13.574 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.622 -1.196 9.216 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.014 -0.013 8.693 1.00 0.00 C ATOM 1543 C GLN B 53 -0.246 1.107 9.686 1.00 0.00 C ATOM 1544 O GLN B 53 -0.991 0.928 10.631 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.643 0.280 7.333 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.138 0.049 7.332 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.874 0.916 6.343 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.386 1.964 5.923 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -4.076 0.503 5.996 1.00 0.00 N ATOM 0 H GLN B 53 -1.598 -1.092 9.494 1.00 0.00 H new ATOM 0 HA GLN B 53 1.061 -0.125 8.551 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.437 1.313 7.055 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.179 -0.353 6.576 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.337 -0.998 7.105 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.529 0.238 8.332 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.442 -0.373 6.369 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.641 1.060 5.355 1.00 0.00 H new ATOM 1558 N LYS B 54 0.453 2.206 9.535 1.00 0.00 N ATOM 1559 CA LYS B 54 0.270 3.362 10.392 1.00 0.00 C ATOM 1560 C LYS B 54 0.409 4.581 9.524 1.00 0.00 C ATOM 1561 O LYS B 54 0.913 4.491 8.411 1.00 0.00 O ATOM 1562 CB LYS B 54 1.299 3.446 11.529 1.00 0.00 C ATOM 1563 CG LYS B 54 1.570 2.146 12.260 1.00 0.00 C ATOM 1564 CD LYS B 54 1.600 2.378 13.760 1.00 0.00 C ATOM 1565 CE LYS B 54 2.653 1.530 14.446 1.00 0.00 C ATOM 1566 NZ LYS B 54 3.913 2.287 14.683 1.00 0.00 N ATOM 0 H LYS B 54 1.166 2.328 8.816 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.710 3.286 10.864 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.239 3.815 11.119 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.956 4.185 12.253 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.799 1.416 12.014 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.522 1.728 11.931 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.796 3.431 13.960 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.621 2.151 14.181 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.263 1.168 15.397 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.867 0.653 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 4.534 1.740 15.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.396 2.450 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 3.691 3.201 15.126 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.047 5.700 10.007 1.00 0.00 N ATOM 1581 CA ILE B 55 0.046 6.928 9.233 1.00 0.00 C ATOM 1582 C ILE B 55 0.415 8.089 10.115 1.00 0.00 C ATOM 1583 O ILE B 55 -0.196 8.253 11.141 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.320 7.262 8.596 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.401 6.996 9.631 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.561 6.455 7.335 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.824 7.224 9.197 1.00 0.00 C ATOM 0 H ILE B 55 -0.485 5.800 10.923 1.00 0.00 H new ATOM 0 HA ILE B 55 0.807 6.772 8.469 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.337 8.311 8.299 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.308 5.962 9.962 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.205 7.627 10.498 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.532 6.717 6.915 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.780 6.675 6.607 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.545 5.392 7.575 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.497 6.999 10.024 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.951 8.264 8.898 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.056 6.573 8.354 1.00 0.00 H new ATOM 1599 N SER B 56 1.416 8.882 9.773 1.00 0.00 N ATOM 1600 CA SER B 56 1.686 10.037 10.599 1.00 0.00 C ATOM 1601 C SER B 56 0.494 10.940 10.416 1.00 0.00 C ATOM 1602 O SER B 56 0.281 11.469 9.299 1.00 0.00 O ATOM 1603 CB SER B 56 2.995 10.728 10.257 1.00 0.00 C ATOM 1604 OG SER B 56 3.315 10.569 8.908 1.00 0.00 O ATOM 0 H SER B 56 2.028 8.755 8.967 1.00 0.00 H new ATOM 0 HA SER B 56 1.818 9.747 11.641 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.921 11.790 10.493 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.796 10.320 10.873 1.00 0.00 H new ATOM 0 HG SER B 56 4.172 11.006 8.721 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.296 11.040 11.520 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.584 11.745 11.615 1.00 0.00 C ATOM 1612 C PRO B 57 -1.546 13.213 11.203 1.00 0.00 C ATOM 1613 O PRO B 57 -0.475 13.801 11.021 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.936 11.668 13.109 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.661 11.342 13.792 1.00 0.00 C ATOM 1616 CD PRO B 57 0.082 10.486 12.832 1.00 0.00 C ATOM 0 HA PRO B 57 -2.300 11.283 10.935 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.344 12.613 13.467 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.690 10.904 13.297 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.100 12.245 14.032 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.839 10.819 14.731 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.158 10.539 12.996 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.203 9.438 12.923 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.734 13.792 11.054 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.872 15.200 10.715 1.00 0.00 C ATOM 1626 C GLU B 58 -2.241 16.043 11.816 1.00 0.00 C ATOM 1627 O GLU B 58 -2.405 15.753 13.001 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.351 15.573 10.556 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.888 15.397 9.143 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.381 14.137 8.475 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.573 13.038 9.040 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -3.773 14.242 7.395 1.00 0.00 O ATOM 0 H GLU B 58 -3.621 13.300 11.164 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.366 15.390 9.768 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.944 14.962 11.237 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.487 16.611 10.858 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.977 15.373 9.174 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.605 16.261 8.541 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.530 17.081 11.425 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.870 17.928 12.396 1.00 0.00 C ATOM 1641 C GLY B 59 0.631 17.816 12.268 1.00 0.00 C ATOM 1642 O GLY B 59 1.358 18.778 12.513 1.00 0.00 O ATOM 0 H GLY B 59 -1.395 17.356 10.452 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.176 18.964 12.250 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.177 17.643 13.403 1.00 0.00 H new ATOM 1646 N LYS B 60 1.093 16.632 11.885 1.00 0.00 N ATOM 1647 CA LYS B 60 2.511 16.404 11.678 1.00 0.00 C ATOM 1648 C LYS B 60 2.938 17.156 10.427 1.00 0.00 C ATOM 1649 O LYS B 60 2.177 17.229 9.462 1.00 0.00 O ATOM 1650 CB LYS B 60 2.811 14.907 11.506 1.00 0.00 C ATOM 1651 CG LYS B 60 2.946 14.140 12.815 1.00 0.00 C ATOM 1652 CD LYS B 60 4.386 14.118 13.319 1.00 0.00 C ATOM 1653 CE LYS B 60 5.066 12.778 13.057 1.00 0.00 C ATOM 1654 NZ LYS B 60 5.178 12.463 11.610 1.00 0.00 N ATOM 0 H LYS B 60 0.504 15.817 11.712 1.00 0.00 H new ATOM 0 HA LYS B 60 3.062 16.759 12.549 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.015 14.455 10.914 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.734 14.796 10.937 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.305 14.595 13.570 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.596 13.118 12.674 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.952 14.912 12.832 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.398 14.327 14.389 1.00 0.00 H new ATOM 0 HE2 LYS B 60 6.062 12.788 13.500 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.504 11.987 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.322 11.440 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 4.305 12.750 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.986 12.978 11.204 1.00 0.00 H new ATOM 1668 N ALA B 61 4.138 17.718 10.439 1.00 0.00 N ATOM 1669 CA ALA B 61 4.635 18.454 9.281 1.00 0.00 C ATOM 1670 C ALA B 61 4.846 17.511 8.106 1.00 0.00 C ATOM 1671 O ALA B 61 4.990 17.938 6.962 1.00 0.00 O ATOM 1672 CB ALA B 61 5.928 19.181 9.624 1.00 0.00 C ATOM 0 H ALA B 61 4.782 17.681 11.229 1.00 0.00 H new ATOM 0 HA ALA B 61 3.890 19.198 8.998 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.283 19.724 8.748 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.746 19.883 10.437 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.682 18.457 9.932 1.00 0.00 H new ATOM 1678 N LYS B 62 4.858 16.221 8.405 1.00 0.00 N ATOM 1679 CA LYS B 62 5.038 15.205 7.394 1.00 0.00 C ATOM 1680 C LYS B 62 3.898 14.196 7.434 1.00 0.00 C ATOM 1681 O LYS B 62 3.785 13.407 8.375 1.00 0.00 O ATOM 1682 CB LYS B 62 6.362 14.474 7.598 1.00 0.00 C ATOM 1683 CG LYS B 62 7.587 15.353 7.440 1.00 0.00 C ATOM 1684 CD LYS B 62 8.843 14.511 7.320 1.00 0.00 C ATOM 1685 CE LYS B 62 10.089 15.371 7.279 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.413 15.949 8.611 1.00 0.00 N ATOM 0 H LYS B 62 4.744 15.856 9.351 1.00 0.00 H new ATOM 0 HA LYS B 62 5.044 15.700 6.423 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.371 14.033 8.595 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.424 13.652 6.885 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.478 15.980 6.555 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.673 16.022 8.296 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.903 13.823 8.163 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.790 13.904 6.417 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.931 14.773 6.929 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.949 16.177 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.333 16.431 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.677 16.632 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.455 15.188 9.319 1.00 0.00 H new ATOM 1700 N ILE B 63 3.038 14.251 6.430 1.00 0.00 N ATOM 1701 CA ILE B 63 1.933 13.314 6.311 1.00 0.00 C ATOM 1702 C ILE B 63 2.498 12.040 5.707 1.00 0.00 C ATOM 1703 O ILE B 63 2.884 12.029 4.537 1.00 0.00 O ATOM 1704 CB ILE B 63 0.820 13.898 5.419 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.358 15.242 5.987 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.350 12.935 5.307 1.00 0.00 C ATOM 1707 CD1 ILE B 63 -0.104 16.220 4.932 1.00 0.00 C ATOM 0 H ILE B 63 3.085 14.941 5.680 1.00 0.00 H new ATOM 0 HA ILE B 63 1.487 13.113 7.285 1.00 0.00 H new ATOM 0 HB ILE B 63 1.220 14.052 4.417 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.456 15.069 6.691 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.177 15.689 6.551 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.121 13.372 4.672 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.008 11.997 4.870 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.761 12.745 6.299 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.416 17.149 5.409 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.714 16.424 4.241 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.944 15.794 4.384 1.00 0.00 H new ATOM 1719 N GLN B 64 2.579 10.965 6.484 1.00 0.00 N ATOM 1720 CA GLN B 64 3.228 9.750 5.965 1.00 0.00 C ATOM 1721 C GLN B 64 2.514 8.461 6.335 1.00 0.00 C ATOM 1722 O GLN B 64 1.579 8.452 7.128 1.00 0.00 O ATOM 1723 CB GLN B 64 4.664 9.640 6.499 1.00 0.00 C ATOM 1724 CG GLN B 64 5.457 10.934 6.515 1.00 0.00 C ATOM 1725 CD GLN B 64 6.352 11.027 7.736 1.00 0.00 C ATOM 1726 OE1 GLN B 64 5.937 11.516 8.785 1.00 0.00 O ATOM 1727 NE2 GLN B 64 7.580 10.550 7.615 1.00 0.00 N ATOM 0 H GLN B 64 2.222 10.900 7.437 1.00 0.00 H new ATOM 0 HA GLN B 64 3.200 9.859 4.881 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.626 9.245 7.514 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.203 8.911 5.894 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.064 11.000 5.612 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.772 11.781 6.501 1.00 0.00 H new ATOM 0 HE21 GLN B 64 7.887 10.152 6.728 1.00 0.00 H new ATOM 0 HE22 GLN B 64 8.219 10.580 8.409 1.00 0.00 H new ATOM 1736 N LEU B 65 2.966 7.378 5.709 1.00 0.00 N ATOM 1737 CA LEU B 65 2.458 6.043 5.981 1.00 0.00 C ATOM 1738 C LEU B 65 3.607 5.181 6.505 1.00 0.00 C ATOM 1739 O LEU B 65 4.755 5.356 6.096 1.00 0.00 O ATOM 1740 CB LEU B 65 1.881 5.389 4.726 1.00 0.00 C ATOM 1741 CG LEU B 65 1.106 4.094 4.987 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.364 4.372 5.215 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.289 3.111 3.855 1.00 0.00 C ATOM 0 H LEU B 65 3.697 7.405 4.998 1.00 0.00 H new ATOM 0 HA LEU B 65 1.658 6.124 6.717 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.220 6.101 4.232 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.696 5.177 4.034 1.00 0.00 H new ATOM 0 HG LEU B 65 1.512 3.648 5.895 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.888 3.434 5.398 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.481 5.027 6.079 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.784 4.856 4.333 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.727 2.202 4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.925 3.553 2.927 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.347 2.868 3.751 1.00 0.00 H new ATOM 1755 N GLN B 66 3.300 4.276 7.415 1.00 0.00 N ATOM 1756 CA GLN B 66 4.292 3.389 7.995 1.00 0.00 C ATOM 1757 C GLN B 66 3.834 1.940 7.899 1.00 0.00 C ATOM 1758 O GLN B 66 2.741 1.601 8.341 1.00 0.00 O ATOM 1759 CB GLN B 66 4.506 3.760 9.458 1.00 0.00 C ATOM 1760 CG GLN B 66 5.615 2.979 10.144 1.00 0.00 C ATOM 1761 CD GLN B 66 5.912 3.501 11.535 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.266 3.110 12.510 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.895 4.382 11.636 1.00 0.00 N ATOM 0 H GLN B 66 2.356 4.135 7.773 1.00 0.00 H new ATOM 0 HA GLN B 66 5.227 3.497 7.444 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.734 4.824 9.522 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.575 3.600 10.002 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.331 1.928 10.206 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.520 3.030 9.539 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.403 4.677 10.802 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.144 4.765 12.548 1.00 0.00 H new ATOM 1772 N LEU B 67 4.660 1.092 7.318 1.00 0.00 N ATOM 1773 CA LEU B 67 4.328 -0.318 7.190 1.00 0.00 C ATOM 1774 C LEU B 67 4.939 -1.120 8.326 1.00 0.00 C ATOM 1775 O LEU B 67 6.154 -1.263 8.393 1.00 0.00 O ATOM 1776 CB LEU B 67 4.844 -0.879 5.867 1.00 0.00 C ATOM 1777 CG LEU B 67 4.073 -0.458 4.623 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.573 -1.242 3.425 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.580 -0.671 4.819 1.00 0.00 C ATOM 0 H LEU B 67 5.565 1.352 6.927 1.00 0.00 H new ATOM 0 HA LEU B 67 3.242 -0.401 7.224 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.884 -0.576 5.747 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.834 -1.967 5.927 1.00 0.00 H new ATOM 0 HG LEU B 67 4.239 0.605 4.446 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.020 -0.939 2.536 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.635 -1.043 3.277 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.424 -2.308 3.600 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.047 -0.364 3.919 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.385 -1.726 5.014 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.236 -0.076 5.665 1.00 0.00 H new ATOM 1791 N VAL B 68 4.105 -1.629 9.220 1.00 0.00 N ATOM 1792 CA VAL B 68 4.597 -2.435 10.325 1.00 0.00 C ATOM 1793 C VAL B 68 4.516 -3.899 9.947 1.00 0.00 C ATOM 1794 O VAL B 68 3.427 -4.454 9.786 1.00 0.00 O ATOM 1795 CB VAL B 68 3.823 -2.186 11.635 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.238 -3.183 12.707 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.065 -0.774 12.119 1.00 0.00 C ATOM 0 H VAL B 68 3.093 -1.500 9.202 1.00 0.00 H new ATOM 0 HA VAL B 68 5.631 -2.145 10.510 1.00 0.00 H new ATOM 0 HB VAL B 68 2.760 -2.319 11.436 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.679 -2.987 13.622 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.028 -4.196 12.363 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.305 -3.081 12.905 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.514 -0.607 13.045 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.130 -0.629 12.299 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.725 -0.067 11.362 1.00 0.00 H new ATOM 1807 N LEU B 69 5.669 -4.519 9.796 1.00 0.00 N ATOM 1808 CA LEU B 69 5.729 -5.909 9.402 1.00 0.00 C ATOM 1809 C LEU B 69 5.486 -6.832 10.595 1.00 0.00 C ATOM 1810 O LEU B 69 5.238 -6.374 11.711 1.00 0.00 O ATOM 1811 CB LEU B 69 7.055 -6.225 8.719 1.00 0.00 C ATOM 1812 CG LEU B 69 7.401 -5.362 7.499 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.240 -6.159 6.523 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.164 -4.808 6.812 1.00 0.00 C ATOM 0 H LEU B 69 6.578 -4.080 9.941 1.00 0.00 H new ATOM 0 HA LEU B 69 4.932 -6.088 8.681 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.854 -6.120 9.453 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.042 -7.270 8.409 1.00 0.00 H new ATOM 0 HG LEU B 69 7.974 -4.506 7.855 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.481 -5.539 5.660 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.162 -6.477 7.010 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.682 -7.036 6.195 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.463 -4.204 5.955 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.536 -5.632 6.474 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.604 -4.189 7.514 1.00 0.00 H new ATOM 1826 N HIS B 70 5.560 -8.132 10.352 1.00 0.00 N ATOM 1827 CA HIS B 70 5.307 -9.132 11.389 1.00 0.00 C ATOM 1828 C HIS B 70 6.403 -9.213 12.455 1.00 0.00 C ATOM 1829 O HIS B 70 6.129 -9.624 13.580 1.00 0.00 O ATOM 1830 CB HIS B 70 5.105 -10.508 10.754 1.00 0.00 C ATOM 1831 CG HIS B 70 3.823 -10.628 9.990 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.666 -9.964 10.329 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.530 -11.344 8.876 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.729 -10.287 9.433 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.201 -11.123 8.530 1.00 0.00 N ATOM 0 H HIS B 70 5.795 -8.525 9.441 1.00 0.00 H new ATOM 0 HA HIS B 70 4.401 -8.810 11.902 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.939 -10.717 10.084 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.126 -11.267 11.536 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.218 -11.983 8.343 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.716 -9.912 9.447 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.696 -11.525 7.740 1.00 0.00 H new ATOM 1843 N ALA B 71 7.626 -8.821 12.125 1.00 0.00 N ATOM 1844 CA ALA B 71 8.719 -8.901 13.092 1.00 0.00 C ATOM 1845 C ALA B 71 8.970 -7.557 13.771 1.00 0.00 C ATOM 1846 O ALA B 71 9.981 -7.372 14.448 1.00 0.00 O ATOM 1847 CB ALA B 71 9.986 -9.408 12.419 1.00 0.00 C ATOM 0 H ALA B 71 7.887 -8.450 11.211 1.00 0.00 H new ATOM 0 HA ALA B 71 8.426 -9.609 13.867 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.791 -9.462 13.152 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.806 -10.400 12.004 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.270 -8.726 11.618 1.00 0.00 H new ATOM 1853 N GLY B 72 8.031 -6.633 13.613 1.00 0.00 N ATOM 1854 CA GLY B 72 8.183 -5.321 14.212 1.00 0.00 C ATOM 1855 C GLY B 72 8.958 -4.393 13.306 1.00 0.00 C ATOM 1856 O GLY B 72 9.528 -3.395 13.749 1.00 0.00 O ATOM 0 H GLY B 72 7.170 -6.768 13.083 1.00 0.00 H new ATOM 0 HA2 GLY B 72 7.200 -4.896 14.417 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.697 -5.413 15.169 1.00 0.00 H new ATOM 1860 N ASP B 73 8.957 -4.731 12.029 1.00 0.00 N ATOM 1861 CA ASP B 73 9.657 -3.962 11.015 1.00 0.00 C ATOM 1862 C ASP B 73 8.783 -2.799 10.605 1.00 0.00 C ATOM 1863 O ASP B 73 7.562 -2.889 10.692 1.00 0.00 O ATOM 1864 CB ASP B 73 9.954 -4.834 9.790 1.00 0.00 C ATOM 1865 CG ASP B 73 10.286 -6.271 10.144 1.00 0.00 C ATOM 1866 OD1 ASP B 73 9.342 -7.042 10.447 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.476 -6.635 10.104 1.00 0.00 O ATOM 0 H ASP B 73 8.469 -5.549 11.665 1.00 0.00 H new ATOM 0 HA ASP B 73 10.603 -3.603 11.421 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.090 -4.821 9.125 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.788 -4.401 9.238 1.00 0.00 H new ATOM 1872 N THR B 74 9.380 -1.711 10.158 1.00 0.00 N ATOM 1873 CA THR B 74 8.594 -0.558 9.759 1.00 0.00 C ATOM 1874 C THR B 74 9.213 0.171 8.575 1.00 0.00 C ATOM 1875 O THR B 74 10.408 0.472 8.570 1.00 0.00 O ATOM 1876 CB THR B 74 8.433 0.445 10.922 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.703 0.685 11.541 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.450 -0.055 11.968 1.00 0.00 C ATOM 0 H THR B 74 10.389 -1.600 10.063 1.00 0.00 H new ATOM 0 HA THR B 74 7.617 -0.945 9.469 1.00 0.00 H new ATOM 0 HB THR B 74 8.040 1.371 10.503 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.414 0.597 10.873 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.366 0.680 12.769 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.473 -0.204 11.508 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.805 -1.000 12.379 1.00 0.00 H new ATOM 1886 N THR B 75 8.391 0.444 7.577 1.00 0.00 N ATOM 1887 CA THR B 75 8.825 1.166 6.397 1.00 0.00 C ATOM 1888 C THR B 75 8.076 2.492 6.307 1.00 0.00 C ATOM 1889 O THR B 75 6.847 2.512 6.216 1.00 0.00 O ATOM 1890 CB THR B 75 8.576 0.340 5.124 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.660 -1.058 5.436 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.594 0.687 4.050 1.00 0.00 C ATOM 0 H THR B 75 7.408 0.172 7.563 1.00 0.00 H new ATOM 0 HA THR B 75 9.896 1.353 6.479 1.00 0.00 H new ATOM 0 HB THR B 75 7.581 0.573 4.745 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.134 -1.526 4.717 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.399 0.091 3.158 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.516 1.746 3.803 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.598 0.473 4.417 1.00 0.00 H new ATOM 1900 N ASN B 76 8.813 3.593 6.356 1.00 0.00 N ATOM 1901 CA ASN B 76 8.214 4.923 6.312 1.00 0.00 C ATOM 1902 C ASN B 76 8.151 5.498 4.908 1.00 0.00 C ATOM 1903 O ASN B 76 9.127 5.463 4.162 1.00 0.00 O ATOM 1904 CB ASN B 76 8.989 5.887 7.206 1.00 0.00 C ATOM 1905 CG ASN B 76 8.447 5.937 8.615 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.831 4.991 9.098 1.00 0.00 O ATOM 1907 ND2 ASN B 76 8.680 7.048 9.284 1.00 0.00 N ATOM 0 H ASN B 76 9.831 3.593 6.427 1.00 0.00 H new ATOM 0 HA ASN B 76 7.192 4.808 6.672 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.037 5.588 7.234 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.955 6.886 6.772 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.344 7.146 10.242 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.196 7.810 8.844 1.00 0.00 H new ATOM 1914 N PHE B 77 6.991 6.039 4.568 1.00 0.00 N ATOM 1915 CA PHE B 77 6.773 6.660 3.271 1.00 0.00 C ATOM 1916 C PHE B 77 6.232 8.071 3.464 1.00 0.00 C ATOM 1917 O PHE B 77 5.071 8.255 3.827 1.00 0.00 O ATOM 1918 CB PHE B 77 5.804 5.825 2.432 1.00 0.00 C ATOM 1919 CG PHE B 77 6.304 4.437 2.158 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.474 4.239 1.444 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.608 3.331 2.619 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.943 2.965 1.194 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.072 2.054 2.371 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.241 1.871 1.658 1.00 0.00 C ATOM 0 H PHE B 77 6.177 6.060 5.182 1.00 0.00 H new ATOM 0 HA PHE B 77 7.723 6.713 2.739 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.846 5.764 2.949 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.623 6.333 1.485 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.026 5.092 1.078 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.694 3.469 3.178 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.857 2.825 0.637 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.521 1.199 2.734 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.605 0.873 1.464 1.00 0.00 H new ATOM 1934 N HIS B 78 7.084 9.058 3.227 1.00 0.00 N ATOM 1935 CA HIS B 78 6.720 10.461 3.389 1.00 0.00 C ATOM 1936 C HIS B 78 6.081 11.003 2.120 1.00 0.00 C ATOM 1937 O HIS B 78 6.717 11.058 1.072 1.00 0.00 O ATOM 1938 CB HIS B 78 7.973 11.273 3.743 1.00 0.00 C ATOM 1939 CG HIS B 78 7.784 12.766 3.792 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.817 13.669 3.654 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.661 13.510 3.963 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.302 14.901 3.739 1.00 0.00 C ATOM 1943 NE2 HIS B 78 6.998 14.859 3.926 1.00 0.00 N ATOM 0 H HIS B 78 8.045 8.911 2.918 1.00 0.00 H new ATOM 0 HA HIS B 78 5.992 10.547 4.195 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.340 10.938 4.713 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.750 11.046 3.013 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.665 13.117 4.105 1.00 0.00 H new ATOM 0 HE1 HIS B 78 8.879 15.811 3.664 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.365 15.653 4.024 1.00 0.00 H new ATOM 1951 N PHE B 79 4.825 11.402 2.225 1.00 0.00 N ATOM 1952 CA PHE B 79 4.110 11.964 1.094 1.00 0.00 C ATOM 1953 C PHE B 79 4.460 13.439 0.970 1.00 0.00 C ATOM 1954 O PHE B 79 3.724 14.312 1.428 1.00 0.00 O ATOM 1955 CB PHE B 79 2.600 11.779 1.264 1.00 0.00 C ATOM 1956 CG PHE B 79 2.169 10.339 1.284 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.239 9.592 2.449 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.693 9.733 0.135 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.841 8.271 2.467 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.294 8.411 0.147 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.368 7.679 1.314 1.00 0.00 C ATOM 0 H PHE B 79 4.279 11.347 3.085 1.00 0.00 H new ATOM 0 HA PHE B 79 4.407 11.444 0.183 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.286 12.257 2.192 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.086 12.292 0.452 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.610 10.050 3.354 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.633 10.300 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.900 7.701 3.383 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.924 7.950 -0.757 1.00 0.00 H new ATOM 0 HZ PHE B 79 1.056 6.645 1.325 1.00 0.00 H new ATOM 1971 N SER B 80 5.607 13.699 0.364 1.00 0.00 N ATOM 1972 CA SER B 80 6.108 15.053 0.187 1.00 0.00 C ATOM 1973 C SER B 80 5.402 15.798 -0.945 1.00 0.00 C ATOM 1974 O SER B 80 5.759 16.931 -1.270 1.00 0.00 O ATOM 1975 CB SER B 80 7.612 14.994 -0.062 1.00 0.00 C ATOM 1976 OG SER B 80 7.968 13.779 -0.701 1.00 0.00 O ATOM 0 H SER B 80 6.217 12.977 -0.019 1.00 0.00 H new ATOM 0 HA SER B 80 5.899 15.614 1.098 1.00 0.00 H new ATOM 0 HB2 SER B 80 7.916 15.838 -0.680 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.146 15.083 0.884 1.00 0.00 H new ATOM 0 HG SER B 80 7.313 13.573 -1.401 1.00 0.00 H new ATOM 1982 N ASN B 81 4.412 15.166 -1.554 1.00 0.00 N ATOM 1983 CA ASN B 81 3.669 15.803 -2.629 1.00 0.00 C ATOM 1984 C ASN B 81 2.582 16.688 -2.035 1.00 0.00 C ATOM 1985 O ASN B 81 1.469 16.241 -1.806 1.00 0.00 O ATOM 1986 CB ASN B 81 3.056 14.751 -3.556 1.00 0.00 C ATOM 1987 CG ASN B 81 2.567 15.344 -4.863 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.063 16.378 -5.318 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.605 14.688 -5.481 1.00 0.00 N ATOM 0 H ASN B 81 4.106 14.220 -1.325 1.00 0.00 H new ATOM 0 HA ASN B 81 4.349 16.417 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.797 13.980 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.224 14.264 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.243 15.032 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.223 13.836 -5.070 1.00 0.00 H new ATOM 1996 N GLU B 82 2.924 17.949 -1.801 1.00 0.00 N ATOM 1997 CA GLU B 82 2.013 18.929 -1.200 1.00 0.00 C ATOM 1998 C GLU B 82 0.641 18.980 -1.885 1.00 0.00 C ATOM 1999 O GLU B 82 -0.384 19.145 -1.220 1.00 0.00 O ATOM 2000 CB GLU B 82 2.665 20.325 -1.205 1.00 0.00 C ATOM 2001 CG GLU B 82 2.821 20.965 -2.587 1.00 0.00 C ATOM 2002 CD GLU B 82 3.587 20.096 -3.566 1.00 0.00 C ATOM 2003 OE1 GLU B 82 2.954 19.519 -4.477 1.00 0.00 O ATOM 2004 OE2 GLU B 82 4.816 19.951 -3.416 1.00 0.00 O ATOM 0 H GLU B 82 3.845 18.328 -2.022 1.00 0.00 H new ATOM 0 HA GLU B 82 1.834 18.605 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU B 82 2.069 20.989 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.650 20.251 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.833 21.177 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU B 82 3.334 21.921 -2.482 1.00 0.00 H new ATOM 2011 N SER B 83 0.627 18.820 -3.202 1.00 0.00 N ATOM 2012 CA SER B 83 -0.607 18.867 -3.975 1.00 0.00 C ATOM 2013 C SER B 83 -1.630 17.822 -3.510 1.00 0.00 C ATOM 2014 O SER B 83 -2.811 18.138 -3.308 1.00 0.00 O ATOM 2015 CB SER B 83 -0.289 18.667 -5.459 1.00 0.00 C ATOM 2016 OG SER B 83 0.683 19.602 -5.905 1.00 0.00 O ATOM 0 H SER B 83 1.464 18.655 -3.761 1.00 0.00 H new ATOM 0 HA SER B 83 -1.058 19.847 -3.817 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.076 17.653 -5.622 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.200 18.777 -6.047 1.00 0.00 H new ATOM 0 HG SER B 83 1.564 19.347 -5.560 1.00 0.00 H new ATOM 2022 N THR B 84 -1.189 16.587 -3.334 1.00 0.00 N ATOM 2023 CA THR B 84 -2.085 15.514 -2.925 1.00 0.00 C ATOM 2024 C THR B 84 -1.514 14.684 -1.773 1.00 0.00 C ATOM 2025 O THR B 84 -1.769 13.495 -1.699 1.00 0.00 O ATOM 2026 CB THR B 84 -2.373 14.589 -4.125 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.250 14.588 -5.009 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.611 15.032 -4.889 1.00 0.00 C ATOM 0 H THR B 84 -0.219 16.302 -3.467 1.00 0.00 H new ATOM 0 HA THR B 84 -3.006 15.980 -2.573 1.00 0.00 H new ATOM 0 HB THR B 84 -2.552 13.586 -3.739 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.614 13.897 -4.729 1.00 0.00 H new ATOM 0 HG21 THR B 84 -3.782 14.357 -5.727 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.475 15.012 -4.225 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.464 16.045 -5.263 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.803 15.324 -0.852 1.00 0.00 N ATOM 2037 CA ALA B 85 -0.174 14.620 0.272 1.00 0.00 C ATOM 2038 C ALA B 85 -1.176 13.791 1.062 1.00 0.00 C ATOM 2039 O ALA B 85 -1.131 12.562 1.045 1.00 0.00 O ATOM 2040 CB ALA B 85 0.527 15.609 1.192 1.00 0.00 C ATOM 0 H ALA B 85 -0.644 16.332 -0.857 1.00 0.00 H new ATOM 0 HA ALA B 85 0.561 13.934 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA B 85 0.988 15.071 2.020 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.295 16.144 0.634 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -0.200 16.321 1.582 1.00 0.00 H new ATOM 2046 N VAL B 86 -2.076 14.474 1.754 1.00 0.00 N ATOM 2047 CA VAL B 86 -3.103 13.817 2.551 1.00 0.00 C ATOM 2048 C VAL B 86 -3.949 12.885 1.681 1.00 0.00 C ATOM 2049 O VAL B 86 -4.265 11.765 2.070 1.00 0.00 O ATOM 2050 CB VAL B 86 -4.022 14.865 3.214 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -5.151 14.200 3.986 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -3.230 15.775 4.132 1.00 0.00 C ATOM 0 H VAL B 86 -2.116 15.493 1.780 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.604 13.231 3.323 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.460 15.466 2.417 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.780 14.965 4.441 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.750 13.595 3.305 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.733 13.563 4.766 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.900 16.505 4.587 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.756 15.181 4.913 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.464 16.295 3.557 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.263 13.353 0.482 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.088 12.603 -0.459 1.00 0.00 C ATOM 2064 C LYS B 87 -4.430 11.280 -0.867 1.00 0.00 C ATOM 2065 O LYS B 87 -5.060 10.225 -0.794 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.378 13.471 -1.687 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.985 14.823 -1.332 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.766 15.850 -2.432 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.989 17.270 -1.930 1.00 0.00 C ATOM 2070 NZ LYS B 87 -5.487 18.289 -2.894 1.00 0.00 N ATOM 0 H LYS B 87 -3.955 14.261 0.133 1.00 0.00 H new ATOM 0 HA LYS B 87 -6.026 12.349 0.034 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.452 13.629 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.058 12.937 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.054 14.705 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -5.544 15.186 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.752 15.756 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.445 15.646 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -7.053 17.430 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.486 17.399 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.876 19.222 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.448 18.325 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.786 18.033 -3.857 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.170 11.333 -1.284 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.448 10.131 -1.691 1.00 0.00 C ATOM 2086 C GLU B 88 -2.185 9.243 -0.482 1.00 0.00 C ATOM 2087 O GLU B 88 -2.255 8.018 -0.573 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.127 10.491 -2.386 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.312 11.172 -3.734 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.006 11.651 -4.344 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.387 12.805 -4.070 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.618 10.889 -5.111 1.00 0.00 O ATOM 0 H GLU B 88 -2.627 12.194 -1.349 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.067 9.586 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.550 11.147 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.540 9.583 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.794 10.478 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -1.984 12.022 -3.616 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.896 9.869 0.657 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.642 9.134 1.890 1.00 0.00 C ATOM 2101 C ARG B 89 -2.859 8.307 2.265 1.00 0.00 C ATOM 2102 O ARG B 89 -2.748 7.121 2.572 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.294 10.089 3.038 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.052 9.387 4.368 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.255 9.493 5.293 1.00 0.00 C ATOM 2106 NE ARG B 89 -1.927 10.204 6.525 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.739 11.077 7.123 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.964 11.295 6.661 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.332 11.729 8.200 1.00 0.00 N ATOM 0 H ARG B 89 -1.832 10.883 0.750 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.792 8.473 1.720 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.403 10.656 2.769 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.105 10.808 3.159 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.824 8.336 4.188 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.180 9.823 4.855 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.065 10.010 4.779 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.617 8.494 5.535 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.020 10.022 6.955 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.296 10.792 5.838 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.574 11.966 7.129 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.397 11.564 8.573 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.953 12.397 8.657 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.017 8.943 2.228 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.264 8.280 2.566 1.00 0.00 C ATOM 2125 C ASP B 90 -5.635 7.247 1.521 1.00 0.00 C ATOM 2126 O ASP B 90 -6.235 6.226 1.846 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.387 9.296 2.759 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.478 9.752 4.200 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -5.428 10.098 4.784 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -7.591 9.721 4.767 1.00 0.00 O ATOM 0 H ASP B 90 -4.119 9.923 1.966 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.119 7.757 3.511 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.215 10.157 2.113 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.336 8.854 2.455 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.265 7.498 0.269 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.541 6.554 -0.797 1.00 0.00 C ATOM 2137 C ALA B 91 -4.817 5.248 -0.504 1.00 0.00 C ATOM 2138 O ALA B 91 -5.382 4.169 -0.639 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.115 7.120 -2.144 1.00 0.00 C ATOM 0 H ALA B 91 -4.776 8.343 -0.027 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.614 6.367 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.332 6.395 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.662 8.042 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.045 7.329 -2.129 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.563 5.363 -0.078 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.762 4.196 0.266 1.00 0.00 C ATOM 2147 C VAL B 92 -3.254 3.599 1.578 1.00 0.00 C ATOM 2148 O VAL B 92 -3.314 2.386 1.738 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.266 4.550 0.413 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.440 3.309 0.714 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.747 5.238 -0.835 1.00 0.00 C ATOM 0 H VAL B 92 -3.080 6.254 0.037 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.870 3.477 -0.546 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.169 5.239 1.252 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.610 3.586 0.813 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.786 2.859 1.645 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.551 2.592 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.309 5.477 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.867 4.576 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.309 6.157 -1.004 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.640 4.475 2.493 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.114 4.080 3.809 1.00 0.00 C ATOM 2163 C LYS B 93 -5.366 3.216 3.703 1.00 0.00 C ATOM 2164 O LYS B 93 -5.411 2.096 4.214 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.407 5.337 4.635 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.823 5.061 6.067 1.00 0.00 C ATOM 2167 CD LYS B 93 -6.269 5.456 6.321 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.465 6.954 6.174 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.843 7.299 5.728 1.00 0.00 N ATOM 0 H LYS B 93 -3.633 5.484 2.342 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.341 3.488 4.300 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.518 5.968 4.643 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.197 5.905 4.143 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.692 4.001 6.286 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.171 5.610 6.747 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.920 4.931 5.621 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.562 5.145 7.324 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.261 7.441 7.128 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.744 7.344 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.921 8.329 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -8.043 6.829 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.529 6.980 6.442 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.367 3.739 3.018 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.634 3.045 2.844 1.00 0.00 C ATOM 2185 C ASP B 94 -7.481 1.809 1.966 1.00 0.00 C ATOM 2186 O ASP B 94 -8.086 0.762 2.225 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.668 4.000 2.252 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.444 4.735 3.329 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.645 4.442 3.499 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.846 5.584 4.027 1.00 0.00 O ATOM 0 H ASP B 94 -6.327 4.653 2.567 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.975 2.707 3.823 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.167 4.723 1.608 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.361 3.440 1.624 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.646 1.915 0.951 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.418 0.799 0.044 1.00 0.00 C ATOM 2197 C LEU B 95 -5.628 -0.290 0.747 1.00 0.00 C ATOM 2198 O LEU B 95 -5.733 -1.461 0.398 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.689 1.251 -1.224 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.568 1.385 -2.472 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.198 0.048 -2.830 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -7.644 2.441 -2.265 1.00 0.00 C ATOM 0 H LEU B 95 -6.114 2.757 0.731 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.388 0.401 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.216 2.213 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.890 0.541 -1.437 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.934 1.701 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.818 0.164 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.414 -0.682 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.814 -0.298 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -8.256 2.518 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -8.273 2.159 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -7.175 3.404 -2.061 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.839 0.091 1.740 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.077 -0.886 2.487 1.00 0.00 C ATOM 2216 C LEU B 96 -5.009 -1.689 3.375 1.00 0.00 C ATOM 2217 O LEU B 96 -5.011 -2.904 3.294 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.967 -0.243 3.288 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.641 -0.130 2.541 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.573 0.444 3.442 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.205 -1.482 2.000 1.00 0.00 C ATOM 0 H LEU B 96 -4.713 1.057 2.041 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.596 -1.561 1.779 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.285 0.754 3.594 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.810 -0.821 4.199 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.785 0.545 1.697 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.366 0.517 2.893 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.875 1.436 3.778 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.438 -0.206 4.306 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.258 -1.374 1.472 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.082 -2.182 2.826 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.962 -1.860 1.313 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.823 -1.023 4.213 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.801 -1.742 5.036 1.00 0.00 C ATOM 2235 C GLN B 97 -7.689 -2.612 4.145 1.00 0.00 C ATOM 2236 O GLN B 97 -8.400 -3.500 4.614 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.671 -0.770 5.835 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.879 0.564 5.160 1.00 0.00 C ATOM 2239 CD GLN B 97 -8.202 1.682 6.126 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.920 2.620 5.789 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.694 1.582 7.332 1.00 0.00 N ATOM 0 H GLN B 97 -5.822 -0.010 4.335 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.255 -2.372 5.739 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.643 -1.231 6.014 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.212 -0.605 6.810 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.980 0.825 4.602 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.689 0.474 4.436 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.102 0.787 7.572 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.891 2.300 8.030 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.674 -2.298 2.859 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.414 -3.038 1.861 1.00 0.00 C ATOM 2252 C GLN B 98 -7.656 -4.266 1.360 1.00 0.00 C ATOM 2253 O GLN B 98 -8.137 -5.389 1.470 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.717 -2.116 0.690 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.029 -1.407 0.848 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.171 -2.358 0.658 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.492 -3.094 1.705 1.00 0.00 O flip ATOM 2258 NE2 GLN B 98 -11.730 -2.458 -0.422 1.00 0.00 N flip ATOM 0 H GLN B 98 -7.142 -1.515 2.480 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.334 -3.395 2.325 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.918 -1.380 0.594 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.729 -2.696 -0.233 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.087 -0.955 1.838 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.100 -0.596 0.123 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.444 -1.865 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.483 -3.135 -0.546 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.469 -4.040 0.820 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.664 -5.110 0.243 1.00 0.00 C ATOM 2269 C LEU B 99 -4.852 -5.894 1.276 1.00 0.00 C ATOM 2270 O LEU B 99 -4.675 -7.102 1.129 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.728 -4.525 -0.811 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.434 -3.790 -1.947 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.535 -2.712 -2.529 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.860 -4.765 -3.030 1.00 0.00 C ATOM 0 H LEU B 99 -6.037 -3.117 0.768 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.359 -5.821 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.038 -3.837 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.129 -5.331 -1.234 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.326 -3.312 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.057 -2.200 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.278 -1.993 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.624 -3.168 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.362 -4.222 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.981 -5.272 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.543 -5.502 -2.608 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.374 -5.220 2.316 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.553 -5.861 3.343 1.00 0.00 C ATOM 2288 C LEU B 100 -4.183 -7.153 3.880 1.00 0.00 C ATOM 2289 O LEU B 100 -3.624 -8.226 3.674 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.224 -4.889 4.490 1.00 0.00 C ATOM 2291 CG LEU B 100 -1.969 -4.039 4.273 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -1.794 -2.998 5.382 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -0.752 -4.941 4.183 1.00 0.00 C ATOM 0 H LEU B 100 -4.540 -4.226 2.473 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.618 -6.142 2.858 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.075 -4.224 4.639 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.103 -5.462 5.409 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.081 -3.494 3.336 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.893 -2.414 5.194 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.659 -2.335 5.399 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.705 -3.503 6.344 1.00 0.00 H new ATOM 0 HD21 LEU B 100 0.140 -4.334 4.029 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.650 -5.507 5.109 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -0.871 -5.630 3.347 1.00 0.00 H new