USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 HIS : no HD1:sc= -2.03! C(o=-4.3!,f=-4.4!) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.0967 K(o=-4.3,f=-7.4!) USER MOD Set 1.3: B 92 GLN : amide:sc= -2.16 K(o=-4.3,f=-6.6!) USER MOD Set 2.1: B 67 LYS NZ :NH3+ 168:sc= 0.52 (180deg=-1.17) USER MOD Set 2.2: B 87 HIS : no HE2:sc= -2.06 K(o=-1.5,f=-18!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0307 (180deg=-0.242) USER MOD Single : A 51 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 53 SER OG : rot -89:sc= 1.21 USER MOD Single : A 55 SER OG : rot 85:sc= 0.914 USER MOD Single : A 56 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0615 (180deg=-0.366) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -1.96! C(o=-2!,f=-1.8!) USER MOD Single : A 73 SER OG : rot 77:sc= 1.07 USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.04) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.285 (180deg=-0.923) USER MOD Single : A 84 THR OG1 : rot 95:sc= -0.732! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.7!) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc=-0.00935 (180deg=-0.139) USER MOD Single : B 51 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : B 53 SER OG : rot 81:sc= 1.26 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : B 58 LYS NZ :NH3+ -174:sc=-0.00526 (180deg=-0.0659) USER MOD Single : B 59 THR OG1 : rot 92:sc= 1.24 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-3.7!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -159:sc= -0.439 (180deg=-1.33) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 162:sc= -0.128 (180deg=-0.609) USER MOD Single : B 84 THR OG1 : rot 67:sc= 0.863 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.43) USER MOD Single : B 95 GLN : amide:sc= 0.694 K(o=0.69,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -17.507 6.022 10.079 1.00 0.00 N ATOM 269 CA MET A 42 -17.708 4.803 9.305 1.00 0.00 C ATOM 270 C MET A 42 -16.423 4.301 8.709 1.00 0.00 C ATOM 271 O MET A 42 -16.134 3.086 8.740 1.00 0.00 O ATOM 272 CB MET A 42 -18.746 4.998 8.228 1.00 0.00 C ATOM 273 CG MET A 42 -20.079 5.357 8.801 1.00 0.00 C ATOM 274 SD MET A 42 -20.612 4.171 10.047 1.00 0.00 S ATOM 275 CE MET A 42 -22.130 4.931 10.582 1.00 0.00 C ATOM 0 HA MET A 42 -18.073 4.046 10.000 1.00 0.00 H new ATOM 0 HB2 MET A 42 -18.420 5.784 7.547 1.00 0.00 H new ATOM 0 HB3 MET A 42 -18.837 4.084 7.641 1.00 0.00 H new ATOM 0 HG2 MET A 42 -20.028 6.352 9.244 1.00 0.00 H new ATOM 0 HG3 MET A 42 -20.818 5.401 8.001 1.00 0.00 H new ATOM 0 HE1 MET A 42 -22.590 4.319 11.358 1.00 0.00 H new ATOM 0 HE2 MET A 42 -21.919 5.923 10.980 1.00 0.00 H new ATOM 0 HE3 MET A 42 -22.812 5.017 9.736 1.00 0.00 H new ATOM 285 N GLU A 43 -15.631 5.219 8.200 1.00 0.00 N ATOM 286 CA GLU A 43 -14.351 4.859 7.622 1.00 0.00 C ATOM 287 C GLU A 43 -13.385 4.440 8.709 1.00 0.00 C ATOM 288 O GLU A 43 -12.559 3.586 8.491 1.00 0.00 O ATOM 289 CB GLU A 43 -13.748 5.991 6.784 1.00 0.00 C ATOM 290 CG GLU A 43 -13.489 7.266 7.557 1.00 0.00 C ATOM 291 CD GLU A 43 -12.839 8.327 6.732 1.00 0.00 C ATOM 292 OE1 GLU A 43 -13.440 8.757 5.732 1.00 0.00 O ATOM 293 OE2 GLU A 43 -11.745 8.790 7.103 1.00 0.00 O ATOM 0 H GLU A 43 -15.847 6.215 8.173 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.527 4.020 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.810 5.646 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.421 6.212 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.433 7.645 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.855 7.042 8.415 1.00 0.00 H new ATOM 300 N LYS A 44 -13.540 5.006 9.901 1.00 0.00 N ATOM 301 CA LYS A 44 -12.654 4.715 11.008 1.00 0.00 C ATOM 302 C LYS A 44 -12.905 3.306 11.535 1.00 0.00 C ATOM 303 O LYS A 44 -11.978 2.608 11.962 1.00 0.00 O ATOM 304 CB LYS A 44 -12.852 5.744 12.101 1.00 0.00 C ATOM 305 CG LYS A 44 -11.790 5.729 13.163 1.00 0.00 C ATOM 306 CD LYS A 44 -11.934 6.907 14.092 1.00 0.00 C ATOM 307 CE LYS A 44 -13.186 6.817 14.960 1.00 0.00 C ATOM 308 NZ LYS A 44 -13.154 5.645 15.863 1.00 0.00 N ATOM 0 H LYS A 44 -14.279 5.674 10.120 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.621 4.764 10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.884 6.735 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.821 5.576 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.855 4.802 13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.805 5.748 12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.055 6.969 14.733 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.967 7.826 13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.283 7.727 15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.067 6.757 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.880 5.755 16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.343 4.781 15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.217 5.575 16.308 1.00 0.00 H new ATOM 322 N ARG A 45 -14.162 2.893 11.499 1.00 0.00 N ATOM 323 CA ARG A 45 -14.557 1.539 11.887 1.00 0.00 C ATOM 324 C ARG A 45 -13.930 0.535 10.931 1.00 0.00 C ATOM 325 O ARG A 45 -13.382 -0.490 11.340 1.00 0.00 O ATOM 326 CB ARG A 45 -16.082 1.407 11.851 1.00 0.00 C ATOM 327 CG ARG A 45 -16.799 2.279 12.865 1.00 0.00 C ATOM 328 CD ARG A 45 -18.292 2.330 12.598 1.00 0.00 C ATOM 329 NE ARG A 45 -18.949 1.014 12.737 1.00 0.00 N ATOM 330 CZ ARG A 45 -19.927 0.543 11.940 1.00 0.00 C ATOM 331 NH1 ARG A 45 -20.356 1.259 10.910 1.00 0.00 N ATOM 332 NH2 ARG A 45 -20.485 -0.638 12.197 1.00 0.00 N ATOM 0 H ARG A 45 -14.940 3.482 11.201 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.210 1.340 12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.435 1.663 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.351 0.366 12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.621 1.893 13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.388 3.288 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.755 3.036 13.288 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.463 2.710 11.591 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.636 0.413 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.945 2.172 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -21.097 0.896 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.172 -1.187 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -21.226 -0.994 11.593 1.00 0.00 H new ATOM 346 N ARG A 46 -13.978 0.869 9.653 1.00 0.00 N ATOM 347 CA ARG A 46 -13.430 0.024 8.615 1.00 0.00 C ATOM 348 C ARG A 46 -11.906 -0.012 8.727 1.00 0.00 C ATOM 349 O ARG A 46 -11.313 -1.073 8.746 1.00 0.00 O ATOM 350 CB ARG A 46 -13.845 0.555 7.250 1.00 0.00 C ATOM 351 CG ARG A 46 -13.481 -0.343 6.076 1.00 0.00 C ATOM 352 CD ARG A 46 -13.855 0.338 4.771 1.00 0.00 C ATOM 353 NE ARG A 46 -15.285 0.700 4.725 1.00 0.00 N ATOM 354 CZ ARG A 46 -15.781 1.915 4.400 1.00 0.00 C ATOM 355 NH1 ARG A 46 -14.958 2.916 4.075 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.102 2.117 4.393 1.00 0.00 N ATOM 0 H ARG A 46 -14.398 1.733 9.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.815 -0.989 8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.924 0.710 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.383 1.531 7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.413 -0.560 6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.002 -1.297 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.250 1.236 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.622 -0.324 3.937 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.958 -0.030 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.949 2.766 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.339 3.830 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.736 1.355 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.476 3.034 4.148 1.00 0.00 H new ATOM 370 N ARG A 47 -11.305 1.169 8.831 1.00 0.00 N ATOM 371 CA ARG A 47 -9.856 1.354 8.946 1.00 0.00 C ATOM 372 C ARG A 47 -9.280 0.569 10.107 1.00 0.00 C ATOM 373 O ARG A 47 -8.281 -0.122 9.942 1.00 0.00 O ATOM 374 CB ARG A 47 -9.529 2.848 9.064 1.00 0.00 C ATOM 375 CG ARG A 47 -8.059 3.195 9.276 1.00 0.00 C ATOM 376 CD ARG A 47 -7.880 4.699 9.262 1.00 0.00 C ATOM 377 NE ARG A 47 -6.533 5.132 9.653 1.00 0.00 N ATOM 378 CZ ARG A 47 -6.142 6.418 9.719 1.00 0.00 C ATOM 379 NH1 ARG A 47 -6.931 7.381 9.245 1.00 0.00 N ATOM 380 NH2 ARG A 47 -4.958 6.738 10.240 1.00 0.00 N ATOM 0 H ARG A 47 -11.822 2.048 8.838 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.388 0.964 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.873 3.348 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.103 3.261 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.713 2.787 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.452 2.740 8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.097 5.074 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.608 5.150 9.936 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.850 4.412 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.833 7.144 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.633 8.355 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.341 6.006 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.669 7.715 10.287 1.00 0.00 H new ATOM 394 N ALA A 48 -9.917 0.656 11.268 1.00 0.00 N ATOM 395 CA ALA A 48 -9.489 -0.096 12.431 1.00 0.00 C ATOM 396 C ALA A 48 -9.453 -1.573 12.097 1.00 0.00 C ATOM 397 O ALA A 48 -8.432 -2.223 12.277 1.00 0.00 O ATOM 398 CB ALA A 48 -10.412 0.161 13.611 1.00 0.00 C ATOM 0 H ALA A 48 -10.735 1.244 11.425 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.488 0.231 12.712 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.071 -0.414 14.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.401 1.223 13.857 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.427 -0.141 13.352 1.00 0.00 H new ATOM 404 N ARG A 49 -10.543 -2.067 11.507 1.00 0.00 N ATOM 405 CA ARG A 49 -10.649 -3.470 11.127 1.00 0.00 C ATOM 406 C ARG A 49 -9.604 -3.862 10.095 1.00 0.00 C ATOM 407 O ARG A 49 -9.087 -4.966 10.142 1.00 0.00 O ATOM 408 CB ARG A 49 -12.046 -3.822 10.624 1.00 0.00 C ATOM 409 CG ARG A 49 -13.120 -3.748 11.683 1.00 0.00 C ATOM 410 CD ARG A 49 -14.463 -4.172 11.128 1.00 0.00 C ATOM 411 NE ARG A 49 -15.488 -4.202 12.171 1.00 0.00 N ATOM 412 CZ ARG A 49 -16.557 -5.013 12.180 1.00 0.00 C ATOM 413 NH1 ARG A 49 -16.806 -5.823 11.143 1.00 0.00 N ATOM 414 NH2 ARG A 49 -17.379 -5.000 13.217 1.00 0.00 N ATOM 0 H ARG A 49 -11.367 -1.510 11.283 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.461 -4.045 12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.308 -3.147 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.028 -4.830 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.852 -4.389 12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.187 -2.730 12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.765 -3.484 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.375 -5.159 10.674 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.382 -3.556 12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.181 -5.827 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.621 -6.436 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.198 -4.376 14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.193 -5.614 13.230 1.00 0.00 H new ATOM 428 N ILE A 50 -9.300 -2.960 9.169 1.00 0.00 N ATOM 429 CA ILE A 50 -8.269 -3.189 8.165 1.00 0.00 C ATOM 430 C ILE A 50 -6.916 -3.433 8.848 1.00 0.00 C ATOM 431 O ILE A 50 -6.247 -4.425 8.590 1.00 0.00 O ATOM 432 CB ILE A 50 -8.168 -1.985 7.182 1.00 0.00 C ATOM 433 CG1 ILE A 50 -9.476 -1.847 6.395 1.00 0.00 C ATOM 434 CG2 ILE A 50 -6.984 -2.152 6.224 1.00 0.00 C ATOM 435 CD1 ILE A 50 -9.576 -0.587 5.569 1.00 0.00 C ATOM 0 H ILE A 50 -9.760 -2.053 9.093 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.543 -4.073 7.589 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.001 -1.078 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.582 -2.709 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.312 -1.876 7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.938 -1.297 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.058 -2.213 6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.112 -3.066 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.532 -0.570 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.505 0.283 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.764 -0.563 4.842 1.00 0.00 H new ATOM 447 N ASN A 51 -6.565 -2.556 9.765 1.00 0.00 N ATOM 448 CA ASN A 51 -5.302 -2.675 10.509 1.00 0.00 C ATOM 449 C ASN A 51 -5.287 -3.912 11.346 1.00 0.00 C ATOM 450 O ASN A 51 -4.295 -4.645 11.363 1.00 0.00 O ATOM 451 CB ASN A 51 -5.046 -1.468 11.411 1.00 0.00 C ATOM 452 CG ASN A 51 -4.721 -0.199 10.669 1.00 0.00 C ATOM 453 OD1 ASN A 51 -3.563 0.079 10.384 1.00 0.00 O ATOM 454 ND2 ASN A 51 -5.722 0.578 10.360 1.00 0.00 N ATOM 0 H ASN A 51 -7.130 -1.747 10.023 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.511 -2.724 9.761 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.927 -1.298 12.030 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.223 -1.702 12.086 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.554 1.453 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.673 0.311 10.615 1.00 0.00 H new ATOM 461 N GLU A 52 -6.380 -4.153 12.024 1.00 0.00 N ATOM 462 CA GLU A 52 -6.500 -5.305 12.897 1.00 0.00 C ATOM 463 C GLU A 52 -6.407 -6.625 12.129 1.00 0.00 C ATOM 464 O GLU A 52 -5.730 -7.563 12.587 1.00 0.00 O ATOM 465 CB GLU A 52 -7.783 -5.256 13.733 1.00 0.00 C ATOM 466 CG GLU A 52 -7.883 -4.046 14.657 1.00 0.00 C ATOM 467 CD GLU A 52 -6.690 -3.907 15.575 1.00 0.00 C ATOM 468 OE1 GLU A 52 -6.590 -4.657 16.569 1.00 0.00 O ATOM 469 OE2 GLU A 52 -5.841 -3.012 15.341 1.00 0.00 O ATOM 0 H GLU A 52 -7.211 -3.563 11.991 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.651 -5.260 13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.641 -5.257 13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.847 -6.164 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.979 -3.142 14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.789 -4.127 15.257 1.00 0.00 H new ATOM 476 N SER A 53 -7.028 -6.697 10.953 1.00 0.00 N ATOM 477 CA SER A 53 -7.021 -7.918 10.198 1.00 0.00 C ATOM 478 C SER A 53 -5.666 -8.145 9.544 1.00 0.00 C ATOM 479 O SER A 53 -5.135 -9.233 9.602 1.00 0.00 O ATOM 480 CB SER A 53 -8.180 -7.958 9.190 1.00 0.00 C ATOM 481 OG SER A 53 -8.227 -6.776 8.416 1.00 0.00 O ATOM 0 H SER A 53 -7.533 -5.925 10.518 1.00 0.00 H new ATOM 0 HA SER A 53 -7.182 -8.748 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.065 -8.821 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.123 -8.085 9.721 1.00 0.00 H new ATOM 0 HG SER A 53 -8.782 -6.109 8.871 1.00 0.00 H new ATOM 487 N LEU A 54 -5.083 -7.083 9.000 1.00 0.00 N ATOM 488 CA LEU A 54 -3.774 -7.139 8.355 1.00 0.00 C ATOM 489 C LEU A 54 -2.713 -7.555 9.387 1.00 0.00 C ATOM 490 O LEU A 54 -1.815 -8.363 9.109 1.00 0.00 O ATOM 491 CB LEU A 54 -3.448 -5.744 7.795 1.00 0.00 C ATOM 492 CG LEU A 54 -2.554 -5.671 6.548 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.542 -4.260 6.007 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.132 -6.117 6.831 1.00 0.00 C ATOM 0 H LEU A 54 -5.506 -6.155 8.993 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.780 -7.869 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.390 -5.246 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.969 -5.167 8.586 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.973 -6.354 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.906 -4.215 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.557 -3.964 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.155 -3.582 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.540 -6.047 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.695 -5.476 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.137 -7.149 7.182 1.00 0.00 H new ATOM 506 N SER A 55 -2.841 -7.017 10.575 1.00 0.00 N ATOM 507 CA SER A 55 -1.924 -7.305 11.635 1.00 0.00 C ATOM 508 C SER A 55 -2.037 -8.763 12.128 1.00 0.00 C ATOM 509 O SER A 55 -1.013 -9.428 12.324 1.00 0.00 O ATOM 510 CB SER A 55 -2.079 -6.280 12.756 1.00 0.00 C ATOM 511 OG SER A 55 -1.718 -4.975 12.292 1.00 0.00 O ATOM 0 H SER A 55 -3.586 -6.368 10.828 1.00 0.00 H new ATOM 0 HA SER A 55 -0.910 -7.215 11.246 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.109 -6.274 13.112 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.451 -6.559 13.602 1.00 0.00 H new ATOM 0 HG SER A 55 -2.489 -4.559 11.854 1.00 0.00 H new ATOM 517 N GLN A 56 -3.257 -9.289 12.281 1.00 0.00 N ATOM 518 CA GLN A 56 -3.399 -10.692 12.707 1.00 0.00 C ATOM 519 C GLN A 56 -2.931 -11.605 11.569 1.00 0.00 C ATOM 520 O GLN A 56 -2.336 -12.656 11.799 1.00 0.00 O ATOM 521 CB GLN A 56 -4.850 -11.047 13.124 1.00 0.00 C ATOM 522 CG GLN A 56 -5.854 -11.075 11.975 1.00 0.00 C ATOM 523 CD GLN A 56 -7.254 -11.435 12.369 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.991 -12.046 11.602 1.00 0.00 O ATOM 525 NE2 GLN A 56 -7.657 -11.022 13.517 1.00 0.00 N ATOM 0 H GLN A 56 -4.132 -8.790 12.124 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.780 -10.840 13.592 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.846 -12.023 13.609 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.188 -10.324 13.866 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.867 -10.094 11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.508 -11.788 11.227 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.018 -10.517 14.130 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.616 -11.199 13.815 1.00 0.00 H new ATOM 534 N LEU A 57 -3.159 -11.133 10.354 1.00 0.00 N ATOM 535 CA LEU A 57 -2.803 -11.814 9.130 1.00 0.00 C ATOM 536 C LEU A 57 -1.315 -12.103 9.083 1.00 0.00 C ATOM 537 O LEU A 57 -0.914 -13.266 9.046 1.00 0.00 O ATOM 538 CB LEU A 57 -3.301 -10.946 7.947 1.00 0.00 C ATOM 539 CG LEU A 57 -3.003 -11.372 6.516 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.119 -10.886 5.607 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.729 -10.721 6.063 1.00 0.00 C ATOM 0 H LEU A 57 -3.613 -10.234 10.193 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.283 -12.791 9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.383 -10.859 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.888 -9.946 8.081 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.917 -12.458 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.910 -11.189 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.065 -11.321 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.183 -9.799 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.511 -11.023 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.839 -9.637 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.911 -11.030 6.714 1.00 0.00 H new ATOM 553 N LYS A 58 -0.504 -11.056 9.162 1.00 0.00 N ATOM 554 CA LYS A 58 0.955 -11.213 9.158 1.00 0.00 C ATOM 555 C LYS A 58 1.417 -12.091 10.321 1.00 0.00 C ATOM 556 O LYS A 58 2.344 -12.874 10.176 1.00 0.00 O ATOM 557 CB LYS A 58 1.688 -9.849 9.193 1.00 0.00 C ATOM 558 CG LYS A 58 1.527 -9.056 10.482 1.00 0.00 C ATOM 559 CD LYS A 58 2.288 -7.744 10.435 1.00 0.00 C ATOM 560 CE LYS A 58 2.223 -7.025 11.771 1.00 0.00 C ATOM 561 NZ LYS A 58 2.949 -5.743 11.740 1.00 0.00 N ATOM 0 H LYS A 58 -0.825 -10.090 9.230 1.00 0.00 H new ATOM 0 HA LYS A 58 1.216 -11.705 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.751 -10.022 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.327 -9.240 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.470 -8.857 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.882 -9.652 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.328 -7.933 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.872 -7.107 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.181 -6.846 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.645 -7.663 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.881 -5.283 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.949 -5.916 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.530 -5.124 11.016 1.00 0.00 H new ATOM 575 N THR A 59 0.727 -11.983 11.456 1.00 0.00 N ATOM 576 CA THR A 59 1.083 -12.739 12.633 1.00 0.00 C ATOM 577 C THR A 59 0.918 -14.243 12.388 1.00 0.00 C ATOM 578 O THR A 59 1.867 -15.015 12.574 1.00 0.00 O ATOM 579 CB THR A 59 0.238 -12.306 13.850 1.00 0.00 C ATOM 580 OG1 THR A 59 0.349 -10.879 14.019 1.00 0.00 O ATOM 581 CG2 THR A 59 0.738 -12.980 15.117 1.00 0.00 C ATOM 0 H THR A 59 -0.083 -11.374 11.575 1.00 0.00 H new ATOM 0 HA THR A 59 2.131 -12.533 12.850 1.00 0.00 H new ATOM 0 HB THR A 59 -0.798 -12.595 13.673 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.127 -10.426 13.292 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.129 -12.661 15.963 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.667 -14.062 15.006 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.777 -12.701 15.292 1.00 0.00 H new ATOM 589 N LEU A 60 -0.260 -14.643 11.928 1.00 0.00 N ATOM 590 CA LEU A 60 -0.546 -16.047 11.698 1.00 0.00 C ATOM 591 C LEU A 60 0.188 -16.589 10.485 1.00 0.00 C ATOM 592 O LEU A 60 0.588 -17.752 10.481 1.00 0.00 O ATOM 593 CB LEU A 60 -2.062 -16.343 11.625 1.00 0.00 C ATOM 594 CG LEU A 60 -2.840 -16.439 12.964 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.297 -17.565 13.835 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.834 -15.125 13.732 1.00 0.00 C ATOM 0 H LEU A 60 -1.031 -14.013 11.708 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.166 -16.578 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.528 -15.564 11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.195 -17.284 11.091 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.876 -16.663 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.861 -17.609 14.767 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.395 -18.513 13.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.246 -17.380 14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.391 -15.244 14.661 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.806 -14.841 13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.300 -14.348 13.127 1.00 0.00 H new ATOM 608 N ILE A 61 0.380 -15.752 9.471 1.00 0.00 N ATOM 609 CA ILE A 61 1.126 -16.142 8.280 1.00 0.00 C ATOM 610 C ILE A 61 2.583 -16.409 8.602 1.00 0.00 C ATOM 611 O ILE A 61 3.088 -17.491 8.319 1.00 0.00 O ATOM 612 CB ILE A 61 1.000 -15.095 7.133 1.00 0.00 C ATOM 613 CG1 ILE A 61 -0.404 -15.138 6.529 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.066 -15.284 6.044 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.746 -16.451 5.832 1.00 0.00 C ATOM 0 H ILE A 61 0.028 -14.795 9.450 1.00 0.00 H new ATOM 0 HA ILE A 61 0.678 -17.070 7.924 1.00 0.00 H new ATOM 0 HB ILE A 61 1.171 -14.112 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.133 -14.959 7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.504 -14.323 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.933 -14.529 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.058 -15.181 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.965 -16.276 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.759 -16.398 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.043 -16.624 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.681 -17.270 6.548 1.00 0.00 H new ATOM 627 N LEU A 62 3.234 -15.463 9.252 1.00 0.00 N ATOM 628 CA LEU A 62 4.652 -15.595 9.566 1.00 0.00 C ATOM 629 C LEU A 62 4.847 -16.811 10.476 1.00 0.00 C ATOM 630 O LEU A 62 5.817 -17.521 10.371 1.00 0.00 O ATOM 631 CB LEU A 62 5.156 -14.299 10.243 1.00 0.00 C ATOM 632 CG LEU A 62 6.672 -13.978 10.193 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.535 -14.976 10.953 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.144 -13.824 8.753 1.00 0.00 C ATOM 0 H LEU A 62 2.808 -14.594 9.574 1.00 0.00 H new ATOM 0 HA LEU A 62 5.231 -15.745 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.625 -13.461 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.860 -14.336 11.291 1.00 0.00 H new ATOM 0 HG LEU A 62 6.798 -13.027 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.583 -14.686 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.241 -14.987 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.400 -15.971 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.210 -13.599 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.963 -14.751 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.597 -13.011 8.276 1.00 0.00 H new ATOM 646 N ASP A 63 3.860 -17.067 11.285 1.00 0.00 N ATOM 647 CA ASP A 63 3.854 -18.173 12.237 1.00 0.00 C ATOM 648 C ASP A 63 3.600 -19.503 11.534 1.00 0.00 C ATOM 649 O ASP A 63 3.982 -20.545 12.007 1.00 0.00 O ATOM 650 CB ASP A 63 2.727 -17.928 13.175 1.00 0.00 C ATOM 651 CG ASP A 63 2.691 -18.819 14.379 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.355 -18.495 15.389 1.00 0.00 O ATOM 653 OD2 ASP A 63 1.929 -19.802 14.374 1.00 0.00 O ATOM 0 H ASP A 63 3.009 -16.506 11.312 1.00 0.00 H new ATOM 0 HA ASP A 63 4.818 -18.226 12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.774 -16.892 13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.790 -18.044 12.630 1.00 0.00 H new ATOM 658 N ALA A 64 2.923 -19.449 10.419 1.00 0.00 N ATOM 659 CA ALA A 64 2.589 -20.637 9.663 1.00 0.00 C ATOM 660 C ALA A 64 3.733 -21.052 8.763 1.00 0.00 C ATOM 661 O ALA A 64 3.887 -22.231 8.441 1.00 0.00 O ATOM 662 CB ALA A 64 1.324 -20.417 8.858 1.00 0.00 C ATOM 0 H ALA A 64 2.584 -18.581 10.004 1.00 0.00 H new ATOM 0 HA ALA A 64 2.411 -21.447 10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.089 -21.321 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.500 -20.184 9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.473 -19.588 8.166 1.00 0.00 H new ATOM 668 N LEU A 65 4.520 -20.086 8.329 1.00 0.00 N ATOM 669 CA LEU A 65 5.663 -20.413 7.482 1.00 0.00 C ATOM 670 C LEU A 65 6.928 -20.485 8.289 1.00 0.00 C ATOM 671 O LEU A 65 7.789 -21.322 8.019 1.00 0.00 O ATOM 672 CB LEU A 65 5.857 -19.470 6.274 1.00 0.00 C ATOM 673 CG LEU A 65 4.762 -19.486 5.198 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.599 -18.617 5.583 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.305 -19.095 3.836 1.00 0.00 C ATOM 0 H LEU A 65 4.400 -19.095 8.538 1.00 0.00 H new ATOM 0 HA LEU A 65 5.433 -21.393 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.948 -18.451 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.805 -19.720 5.797 1.00 0.00 H new ATOM 0 HG LEU A 65 4.402 -20.512 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.843 -18.652 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.169 -18.977 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.940 -17.590 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.499 -19.119 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.721 -18.089 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.085 -19.796 3.540 1.00 0.00 H new ATOM 687 N LYS A 66 7.019 -19.617 9.287 1.00 0.00 N ATOM 688 CA LYS A 66 8.155 -19.518 10.183 1.00 0.00 C ATOM 689 C LYS A 66 9.432 -19.224 9.440 1.00 0.00 C ATOM 690 O LYS A 66 10.299 -20.075 9.236 1.00 0.00 O ATOM 691 CB LYS A 66 8.210 -20.708 11.132 1.00 0.00 C ATOM 692 CG LYS A 66 7.085 -20.662 12.172 1.00 0.00 C ATOM 693 CD LYS A 66 6.701 -22.037 12.695 1.00 0.00 C ATOM 694 CE LYS A 66 6.001 -22.857 11.607 1.00 0.00 C ATOM 695 NZ LYS A 66 5.429 -24.113 12.140 1.00 0.00 N ATOM 0 H LYS A 66 6.282 -18.945 9.499 1.00 0.00 H new ATOM 0 HA LYS A 66 8.022 -18.651 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.137 -21.633 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.174 -20.723 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.396 -20.036 13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.208 -20.190 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.593 -22.563 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.043 -21.932 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.208 -22.260 11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.713 -23.090 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.965 -24.637 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.189 -24.695 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.731 -23.891 12.878 1.00 0.00 H new ATOM 709 N LYS A 67 9.463 -18.021 8.940 1.00 0.00 N ATOM 710 CA LYS A 67 10.574 -17.524 8.172 1.00 0.00 C ATOM 711 C LYS A 67 11.646 -16.948 9.070 1.00 0.00 C ATOM 712 O LYS A 67 12.757 -17.483 9.145 1.00 0.00 O ATOM 713 CB LYS A 67 10.105 -16.460 7.185 1.00 0.00 C ATOM 714 CG LYS A 67 9.123 -16.965 6.155 1.00 0.00 C ATOM 715 CD LYS A 67 8.737 -15.866 5.191 1.00 0.00 C ATOM 716 CE LYS A 67 7.861 -16.393 4.079 1.00 0.00 C ATOM 717 NZ LYS A 67 8.557 -17.415 3.253 1.00 0.00 N ATOM 0 H LYS A 67 8.707 -17.346 9.055 1.00 0.00 H new ATOM 0 HA LYS A 67 10.999 -18.364 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.645 -15.642 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.974 -16.048 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.562 -17.798 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.232 -17.346 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.211 -15.077 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.636 -15.419 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.957 -16.827 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.548 -15.566 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.070 -17.513 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.541 -17.119 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.548 -18.328 3.750 1.00 0.00 H new ATOM 731 N ASP A 68 11.318 -15.857 9.755 1.00 0.00 N ATOM 732 CA ASP A 68 12.279 -15.177 10.609 1.00 0.00 C ATOM 733 C ASP A 68 11.576 -14.079 11.315 1.00 0.00 C ATOM 734 O ASP A 68 10.674 -13.459 10.740 1.00 0.00 O ATOM 735 CB ASP A 68 13.375 -14.547 9.775 1.00 0.00 C ATOM 736 CG ASP A 68 14.638 -14.280 10.536 1.00 0.00 C ATOM 737 OD1 ASP A 68 14.667 -13.361 11.343 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.638 -15.011 10.322 1.00 0.00 O ATOM 0 H ASP A 68 10.393 -15.427 9.734 1.00 0.00 H new ATOM 0 HA ASP A 68 12.710 -15.899 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.601 -15.203 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.008 -13.609 9.359 1.00 0.00 H new ATOM 743 N SER A 69 11.987 -13.795 12.510 1.00 0.00 N ATOM 744 CA SER A 69 11.365 -12.763 13.263 1.00 0.00 C ATOM 745 C SER A 69 11.945 -11.379 12.870 1.00 0.00 C ATOM 746 O SER A 69 11.300 -10.337 13.061 1.00 0.00 O ATOM 747 CB SER A 69 11.460 -13.053 14.779 1.00 0.00 C ATOM 748 OG SER A 69 10.762 -12.091 15.564 1.00 0.00 O ATOM 0 H SER A 69 12.756 -14.269 12.984 1.00 0.00 H new ATOM 0 HA SER A 69 10.302 -12.737 13.023 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.056 -14.045 14.982 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.508 -13.069 15.077 1.00 0.00 H new ATOM 0 HG SER A 69 10.850 -12.318 16.513 1.00 0.00 H new ATOM 754 N SER A 70 13.129 -11.373 12.273 1.00 0.00 N ATOM 755 CA SER A 70 13.753 -10.145 11.838 1.00 0.00 C ATOM 756 C SER A 70 12.999 -9.604 10.619 1.00 0.00 C ATOM 757 O SER A 70 12.654 -8.417 10.554 1.00 0.00 O ATOM 758 CB SER A 70 15.245 -10.386 11.510 1.00 0.00 C ATOM 759 OG SER A 70 15.912 -9.184 11.151 1.00 0.00 O ATOM 0 H SER A 70 13.674 -12.213 12.081 1.00 0.00 H new ATOM 0 HA SER A 70 13.707 -9.406 12.638 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.739 -10.830 12.374 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.325 -11.103 10.693 1.00 0.00 H new ATOM 0 HG SER A 70 16.852 -9.378 10.953 1.00 0.00 H new ATOM 765 N ARG A 71 12.663 -10.491 9.689 1.00 0.00 N ATOM 766 CA ARG A 71 11.949 -10.088 8.470 1.00 0.00 C ATOM 767 C ARG A 71 10.458 -9.903 8.763 1.00 0.00 C ATOM 768 O ARG A 71 9.690 -9.485 7.911 1.00 0.00 O ATOM 769 CB ARG A 71 12.234 -11.082 7.312 1.00 0.00 C ATOM 770 CG ARG A 71 11.597 -12.462 7.433 1.00 0.00 C ATOM 771 CD ARG A 71 10.244 -12.509 6.746 1.00 0.00 C ATOM 772 NE ARG A 71 10.366 -12.363 5.281 1.00 0.00 N ATOM 773 CZ ARG A 71 9.925 -11.314 4.557 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.517 -10.214 5.151 1.00 0.00 N ATOM 775 NH2 ARG A 71 9.964 -11.349 3.240 1.00 0.00 N ATOM 0 H ARG A 71 12.869 -11.488 9.749 1.00 0.00 H new ATOM 0 HA ARG A 71 12.320 -9.120 8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.894 -10.629 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.313 -11.210 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.257 -13.209 6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.482 -12.720 8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.752 -13.454 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.609 -11.715 7.139 1.00 0.00 H new ATOM 0 HE ARG A 71 10.823 -13.121 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.532 -10.148 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.185 -9.426 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.329 -12.173 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.629 -10.552 2.699 1.00 0.00 H new ATOM 789 N HIS A 72 10.074 -10.257 9.974 1.00 0.00 N ATOM 790 CA HIS A 72 8.737 -10.014 10.489 1.00 0.00 C ATOM 791 C HIS A 72 8.708 -8.634 11.166 1.00 0.00 C ATOM 792 O HIS A 72 7.651 -8.051 11.380 1.00 0.00 O ATOM 793 CB HIS A 72 8.371 -11.121 11.498 1.00 0.00 C ATOM 794 CG HIS A 72 6.975 -11.057 12.092 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.689 -11.413 13.386 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.783 -10.719 11.530 1.00 0.00 C ATOM 797 CE1 HIS A 72 5.379 -11.292 13.576 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.771 -10.868 12.479 1.00 0.00 N ATOM 0 H HIS A 72 10.689 -10.728 10.638 1.00 0.00 H new ATOM 0 HA HIS A 72 8.009 -10.028 9.677 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.489 -12.086 11.005 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.092 -11.091 12.315 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.642 -10.388 10.512 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.875 -11.511 14.506 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.775 -10.688 12.354 1.00 0.00 H new ATOM 806 N SER A 73 9.876 -8.115 11.497 1.00 0.00 N ATOM 807 CA SER A 73 9.968 -6.820 12.147 1.00 0.00 C ATOM 808 C SER A 73 10.281 -5.718 11.139 1.00 0.00 C ATOM 809 O SER A 73 10.295 -4.536 11.457 1.00 0.00 O ATOM 810 CB SER A 73 10.967 -6.879 13.291 1.00 0.00 C ATOM 811 OG SER A 73 10.570 -7.891 14.219 1.00 0.00 O ATOM 0 H SER A 73 10.773 -8.569 11.327 1.00 0.00 H new ATOM 0 HA SER A 73 8.999 -6.567 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.964 -7.094 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.020 -5.912 13.792 1.00 0.00 H new ATOM 0 HG SER A 73 10.802 -8.773 13.860 1.00 0.00 H new ATOM 817 N LYS A 74 10.501 -6.136 9.937 1.00 0.00 N ATOM 818 CA LYS A 74 10.684 -5.269 8.795 1.00 0.00 C ATOM 819 C LYS A 74 9.799 -5.834 7.726 1.00 0.00 C ATOM 820 O LYS A 74 10.239 -6.546 6.818 1.00 0.00 O ATOM 821 CB LYS A 74 12.169 -5.207 8.352 1.00 0.00 C ATOM 822 CG LYS A 74 12.515 -4.417 7.045 1.00 0.00 C ATOM 823 CD LYS A 74 12.171 -2.914 7.073 1.00 0.00 C ATOM 824 CE LYS A 74 10.743 -2.627 6.601 1.00 0.00 C ATOM 825 NZ LYS A 74 10.456 -1.178 6.508 1.00 0.00 N ATOM 0 H LYS A 74 10.563 -7.127 9.702 1.00 0.00 H new ATOM 0 HA LYS A 74 10.419 -4.237 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.743 -4.769 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.523 -6.230 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.581 -4.525 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.987 -4.878 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.297 -2.535 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.874 -2.372 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.587 -3.088 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.036 -3.090 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.779 -1.007 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.049 -0.846 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.338 -0.661 6.316 1.00 0.00 H new ATOM 839 N LEU A 75 8.539 -5.622 7.906 1.00 0.00 N ATOM 840 CA LEU A 75 7.584 -6.189 7.069 1.00 0.00 C ATOM 841 C LEU A 75 6.659 -5.114 6.521 1.00 0.00 C ATOM 842 O LEU A 75 5.853 -4.515 7.245 1.00 0.00 O ATOM 843 CB LEU A 75 6.855 -7.254 7.864 1.00 0.00 C ATOM 844 CG LEU A 75 6.059 -8.254 7.106 1.00 0.00 C ATOM 845 CD1 LEU A 75 6.855 -8.821 5.963 1.00 0.00 C ATOM 846 CD2 LEU A 75 5.602 -9.363 8.026 1.00 0.00 C ATOM 0 H LEU A 75 8.157 -5.041 8.652 1.00 0.00 H new ATOM 0 HA LEU A 75 8.042 -6.658 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.592 -7.793 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.186 -6.752 8.563 1.00 0.00 H new ATOM 0 HG LEU A 75 5.184 -7.752 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.250 -9.550 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.142 -8.017 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.751 -9.307 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.020 -10.089 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.471 -9.855 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.985 -8.945 8.821 1.00 0.00 H new ATOM 858 N GLU A 76 6.844 -4.838 5.266 1.00 0.00 N ATOM 859 CA GLU A 76 6.073 -3.858 4.527 1.00 0.00 C ATOM 860 C GLU A 76 4.715 -4.434 4.187 1.00 0.00 C ATOM 861 O GLU A 76 4.598 -5.638 3.990 1.00 0.00 O ATOM 862 CB GLU A 76 6.803 -3.522 3.232 1.00 0.00 C ATOM 863 CG GLU A 76 8.144 -2.847 3.432 1.00 0.00 C ATOM 864 CD GLU A 76 8.011 -1.426 3.906 1.00 0.00 C ATOM 865 OE1 GLU A 76 7.701 -0.544 3.072 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.235 -1.166 5.097 1.00 0.00 O ATOM 0 H GLU A 76 7.557 -5.299 4.700 1.00 0.00 H new ATOM 0 HA GLU A 76 5.951 -2.960 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.952 -4.440 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.169 -2.873 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.728 -3.415 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.698 -2.863 2.494 1.00 0.00 H new ATOM 873 N LYS A 77 3.707 -3.573 4.090 1.00 0.00 N ATOM 874 CA LYS A 77 2.336 -3.974 3.740 1.00 0.00 C ATOM 875 C LYS A 77 2.290 -4.890 2.508 1.00 0.00 C ATOM 876 O LYS A 77 1.644 -5.932 2.518 1.00 0.00 O ATOM 877 CB LYS A 77 1.470 -2.725 3.527 1.00 0.00 C ATOM 878 CG LYS A 77 0.106 -3.003 2.922 1.00 0.00 C ATOM 879 CD LYS A 77 -0.837 -1.788 2.973 1.00 0.00 C ATOM 880 CE LYS A 77 -1.175 -1.342 4.403 1.00 0.00 C ATOM 881 NZ LYS A 77 -2.085 -0.169 4.420 1.00 0.00 N ATOM 0 H LYS A 77 3.812 -2.571 4.251 1.00 0.00 H new ATOM 0 HA LYS A 77 1.936 -4.554 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.334 -2.225 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.007 -2.032 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.232 -3.314 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.356 -3.836 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.376 -0.956 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.761 -2.031 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.640 -2.169 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.255 -1.095 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.287 0.099 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.632 0.629 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.974 -0.412 3.938 1.00 0.00 H new ATOM 895 N ALA A 78 3.023 -4.511 1.494 1.00 0.00 N ATOM 896 CA ALA A 78 3.097 -5.262 0.243 1.00 0.00 C ATOM 897 C ALA A 78 3.708 -6.642 0.443 1.00 0.00 C ATOM 898 O ALA A 78 3.322 -7.606 -0.209 1.00 0.00 O ATOM 899 CB ALA A 78 3.938 -4.494 -0.746 1.00 0.00 C ATOM 0 H ALA A 78 3.595 -3.666 1.501 1.00 0.00 H new ATOM 0 HA ALA A 78 2.081 -5.393 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.997 -5.049 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.485 -3.520 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.941 -4.357 -0.342 1.00 0.00 H new ATOM 905 N ASP A 79 4.608 -6.725 1.393 1.00 0.00 N ATOM 906 CA ASP A 79 5.398 -7.941 1.640 1.00 0.00 C ATOM 907 C ASP A 79 4.539 -8.925 2.394 1.00 0.00 C ATOM 908 O ASP A 79 4.587 -10.138 2.181 1.00 0.00 O ATOM 909 CB ASP A 79 6.645 -7.566 2.455 1.00 0.00 C ATOM 910 CG ASP A 79 7.735 -8.640 2.489 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.710 -9.581 1.680 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.698 -8.499 3.286 1.00 0.00 O ATOM 0 H ASP A 79 4.825 -5.956 2.027 1.00 0.00 H new ATOM 0 HA ASP A 79 5.718 -8.396 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.069 -6.650 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.340 -7.344 3.478 1.00 0.00 H new ATOM 917 N ILE A 80 3.720 -8.363 3.245 1.00 0.00 N ATOM 918 CA ILE A 80 2.754 -9.083 4.045 1.00 0.00 C ATOM 919 C ILE A 80 1.661 -9.670 3.169 1.00 0.00 C ATOM 920 O ILE A 80 1.388 -10.875 3.237 1.00 0.00 O ATOM 921 CB ILE A 80 2.129 -8.121 5.075 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.220 -7.581 5.957 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.090 -8.831 5.904 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.869 -6.380 6.786 1.00 0.00 C ATOM 0 H ILE A 80 3.704 -7.356 3.408 1.00 0.00 H new ATOM 0 HA ILE A 80 3.262 -9.900 4.558 1.00 0.00 H new ATOM 0 HB ILE A 80 1.637 -7.301 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.544 -8.377 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.074 -7.326 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.661 -8.135 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.302 -9.210 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.554 -9.662 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.733 -6.082 7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.578 -5.558 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.040 -6.626 7.450 1.00 0.00 H new ATOM 936 N LEU A 81 1.051 -8.826 2.338 1.00 0.00 N ATOM 937 CA LEU A 81 -0.034 -9.261 1.461 1.00 0.00 C ATOM 938 C LEU A 81 0.428 -10.417 0.602 1.00 0.00 C ATOM 939 O LEU A 81 -0.188 -11.482 0.596 1.00 0.00 O ATOM 940 CB LEU A 81 -0.517 -8.127 0.556 1.00 0.00 C ATOM 941 CG LEU A 81 -1.023 -6.853 1.227 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.496 -5.877 0.172 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.140 -7.153 2.221 1.00 0.00 C ATOM 0 H LEU A 81 1.290 -7.838 2.254 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.864 -9.573 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.304 -7.854 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.318 -8.517 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.200 -6.407 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.857 -4.968 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.668 -5.631 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.304 -6.328 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.477 -6.224 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.974 -7.624 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.768 -7.826 2.994 1.00 0.00 H new ATOM 955 N GLU A 82 1.557 -10.217 -0.058 1.00 0.00 N ATOM 956 CA GLU A 82 2.145 -11.204 -0.929 1.00 0.00 C ATOM 957 C GLU A 82 2.468 -12.502 -0.204 1.00 0.00 C ATOM 958 O GLU A 82 2.241 -13.556 -0.740 1.00 0.00 O ATOM 959 CB GLU A 82 3.372 -10.613 -1.629 1.00 0.00 C ATOM 960 CG GLU A 82 4.274 -11.575 -2.319 1.00 0.00 C ATOM 961 CD GLU A 82 5.443 -10.881 -2.966 1.00 0.00 C ATOM 962 OE1 GLU A 82 5.282 -10.331 -4.071 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.559 -10.905 -2.393 1.00 0.00 O ATOM 0 H GLU A 82 2.093 -9.351 0.001 1.00 0.00 H new ATOM 0 HA GLU A 82 1.408 -11.468 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.027 -9.883 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.957 -10.069 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.639 -12.309 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.712 -12.122 -3.076 1.00 0.00 H new ATOM 970 N MET A 83 2.900 -12.423 1.041 1.00 0.00 N ATOM 971 CA MET A 83 3.312 -13.617 1.775 1.00 0.00 C ATOM 972 C MET A 83 2.096 -14.501 2.034 1.00 0.00 C ATOM 973 O MET A 83 2.140 -15.723 1.892 1.00 0.00 O ATOM 974 CB MET A 83 3.973 -13.225 3.094 1.00 0.00 C ATOM 975 CG MET A 83 4.686 -14.372 3.791 1.00 0.00 C ATOM 976 SD MET A 83 5.464 -13.879 5.349 1.00 0.00 S ATOM 977 CE MET A 83 6.536 -12.552 4.797 1.00 0.00 C ATOM 0 H MET A 83 2.976 -11.553 1.567 1.00 0.00 H new ATOM 0 HA MET A 83 4.037 -14.172 1.179 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.690 -12.425 2.906 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.214 -12.822 3.764 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.972 -15.172 3.985 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.446 -14.779 3.124 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.289 -12.352 5.559 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.028 -12.844 3.869 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.944 -11.653 4.627 1.00 0.00 H new ATOM 987 N THR A 84 1.018 -13.846 2.349 1.00 0.00 N ATOM 988 CA THR A 84 -0.251 -14.450 2.624 1.00 0.00 C ATOM 989 C THR A 84 -0.827 -15.081 1.335 1.00 0.00 C ATOM 990 O THR A 84 -1.278 -16.231 1.345 1.00 0.00 O ATOM 991 CB THR A 84 -1.173 -13.342 3.175 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.417 -12.632 4.153 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.417 -13.901 3.863 1.00 0.00 C ATOM 0 H THR A 84 0.999 -12.829 2.425 1.00 0.00 H new ATOM 0 HA THR A 84 -0.159 -15.252 3.357 1.00 0.00 H new ATOM 0 HB THR A 84 -1.507 -12.718 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.001 -11.849 3.738 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.030 -13.078 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.993 -14.491 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.117 -14.533 4.699 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.751 -14.345 0.222 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.236 -14.836 -1.068 1.00 0.00 C ATOM 1003 C VAL A 85 -0.385 -16.015 -1.545 1.00 0.00 C ATOM 1004 O VAL A 85 -0.904 -17.018 -2.030 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.178 -13.743 -2.162 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.768 -14.245 -3.465 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.885 -12.498 -1.724 1.00 0.00 C ATOM 0 H VAL A 85 -0.357 -13.405 0.190 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.272 -15.140 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.128 -13.502 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.714 -13.457 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.205 -15.113 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.809 -14.527 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.827 -11.749 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.931 -12.727 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.413 -12.110 -0.821 1.00 0.00 H new ATOM 1017 N LYS A 86 0.916 -15.893 -1.404 1.00 0.00 N ATOM 1018 CA LYS A 86 1.813 -16.932 -1.845 1.00 0.00 C ATOM 1019 C LYS A 86 1.641 -18.206 -1.024 1.00 0.00 C ATOM 1020 O LYS A 86 1.696 -19.319 -1.564 1.00 0.00 O ATOM 1021 CB LYS A 86 3.276 -16.470 -1.882 1.00 0.00 C ATOM 1022 CG LYS A 86 3.542 -15.292 -2.836 1.00 0.00 C ATOM 1023 CD LYS A 86 5.024 -15.162 -3.132 1.00 0.00 C ATOM 1024 CE LYS A 86 5.301 -14.262 -4.331 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.745 -14.198 -4.651 1.00 0.00 N ATOM 0 H LYS A 86 1.375 -15.083 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 86 1.539 -17.166 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.580 -16.183 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.903 -17.311 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.993 -15.440 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.173 -14.368 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.533 -14.761 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.442 -16.151 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.753 -14.633 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.930 -13.258 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.891 -13.576 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.265 -13.820 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.094 -15.152 -4.873 1.00 0.00 H new ATOM 1039 N HIS A 87 1.374 -18.047 0.264 1.00 0.00 N ATOM 1040 CA HIS A 87 1.140 -19.187 1.126 1.00 0.00 C ATOM 1041 C HIS A 87 -0.207 -19.830 0.782 1.00 0.00 C ATOM 1042 O HIS A 87 -0.395 -21.037 0.962 1.00 0.00 O ATOM 1043 CB HIS A 87 1.202 -18.789 2.601 1.00 0.00 C ATOM 1044 CG HIS A 87 1.199 -19.963 3.548 1.00 0.00 C ATOM 1045 ND1 HIS A 87 0.394 -20.062 4.654 1.00 0.00 N ATOM 1046 CD2 HIS A 87 1.982 -21.077 3.561 1.00 0.00 C ATOM 1047 CE1 HIS A 87 0.705 -21.192 5.292 1.00 0.00 C ATOM 1048 NE2 HIS A 87 1.662 -21.846 4.672 1.00 0.00 N ATOM 0 H HIS A 87 1.315 -17.142 0.730 1.00 0.00 H new ATOM 0 HA HIS A 87 1.930 -19.919 0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.103 -18.199 2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.352 -18.147 2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.732 -21.323 2.824 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.230 -21.527 6.203 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.082 -22.733 4.949 1.00 0.00 H new ATOM 1056 N LEU A 88 -1.119 -19.020 0.257 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.408 -19.495 -0.203 1.00 0.00 C ATOM 1058 C LEU A 88 -2.200 -20.484 -1.326 1.00 0.00 C ATOM 1059 O LEU A 88 -2.787 -21.556 -1.316 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.283 -18.317 -0.654 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.560 -18.644 -1.434 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -5.504 -19.524 -0.635 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -5.243 -17.365 -1.857 1.00 0.00 C ATOM 0 H LEU A 88 -0.981 -18.016 0.140 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.928 -19.995 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.566 -17.749 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.671 -17.660 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.277 -19.209 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.396 -19.731 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.006 -20.462 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.788 -19.012 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.151 -17.603 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.500 -16.781 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.572 -16.787 -2.492 1.00 0.00 H new ATOM 1075 N ARG A 89 -1.320 -20.133 -2.273 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.970 -21.054 -3.352 1.00 0.00 C ATOM 1077 C ARG A 89 -0.423 -22.338 -2.772 1.00 0.00 C ATOM 1078 O ARG A 89 -0.865 -23.425 -3.138 1.00 0.00 O ATOM 1079 CB ARG A 89 0.072 -20.479 -4.331 1.00 0.00 C ATOM 1080 CG ARG A 89 -0.450 -19.557 -5.433 1.00 0.00 C ATOM 1081 CD ARG A 89 -0.971 -18.241 -4.917 1.00 0.00 C ATOM 1082 NE ARG A 89 -1.320 -17.332 -6.022 1.00 0.00 N ATOM 1083 CZ ARG A 89 -0.731 -16.143 -6.249 1.00 0.00 C ATOM 1084 NH1 ARG A 89 0.390 -15.814 -5.587 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -1.205 -15.334 -7.196 1.00 0.00 N ATOM 0 H ARG A 89 -0.846 -19.231 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.888 -21.231 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.814 -19.930 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.590 -21.313 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.351 -19.367 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.246 -20.067 -5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.849 -18.414 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.218 -17.773 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.060 -17.624 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.794 -16.465 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.838 -14.913 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.014 -15.616 -7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.758 -14.433 -7.368 1.00 0.00 H new ATOM 1099 N ASN A 90 0.503 -22.188 -1.827 1.00 0.00 N ATOM 1100 CA ASN A 90 1.180 -23.312 -1.174 1.00 0.00 C ATOM 1101 C ASN A 90 0.198 -24.282 -0.584 1.00 0.00 C ATOM 1102 O ASN A 90 0.212 -25.470 -0.918 1.00 0.00 O ATOM 1103 CB ASN A 90 2.158 -22.848 -0.081 1.00 0.00 C ATOM 1104 CG ASN A 90 3.383 -22.110 -0.606 1.00 0.00 C ATOM 1105 OD1 ASN A 90 3.839 -22.354 -1.722 1.00 0.00 O ATOM 1106 ND2 ASN A 90 3.943 -21.244 0.197 1.00 0.00 N ATOM 0 H ASN A 90 0.809 -21.276 -1.488 1.00 0.00 H new ATOM 0 HA ASN A 90 1.751 -23.814 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.626 -22.197 0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.488 -23.718 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.784 -20.747 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.539 -21.065 1.116 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.682 -23.781 0.244 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.663 -24.613 0.884 1.00 0.00 C ATOM 1115 C LEU A 91 -2.643 -25.188 -0.124 1.00 0.00 C ATOM 1116 O LEU A 91 -3.032 -26.319 -0.022 1.00 0.00 O ATOM 1117 CB LEU A 91 -2.392 -23.843 1.964 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.542 -23.349 3.134 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -2.377 -22.488 4.047 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.958 -24.528 3.908 1.00 0.00 C ATOM 0 H LEU A 91 -0.738 -22.793 0.491 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.140 -25.448 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.874 -22.981 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.185 -24.477 2.361 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.717 -22.755 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.765 -22.139 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.757 -21.630 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.214 -23.071 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.356 -24.156 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.768 -25.146 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.332 -25.125 3.244 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.965 -24.432 -1.140 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.911 -24.876 -2.159 1.00 0.00 C ATOM 1134 C GLN A 92 -3.345 -25.995 -3.046 1.00 0.00 C ATOM 1135 O GLN A 92 -4.095 -26.763 -3.640 1.00 0.00 O ATOM 1136 CB GLN A 92 -4.386 -23.695 -3.006 1.00 0.00 C ATOM 1137 CG GLN A 92 -5.555 -22.936 -2.437 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.838 -23.714 -2.569 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -7.004 -24.526 -3.474 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.762 -23.461 -1.715 1.00 0.00 N ATOM 0 H GLN A 92 -2.589 -23.497 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.767 -25.298 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.553 -23.004 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.657 -24.062 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -5.369 -22.715 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.654 -21.980 -2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.598 -22.781 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.660 -23.940 -1.779 1.00 0.00 H new ATOM 1149 N ARG A 93 -2.037 -26.138 -3.075 1.00 0.00 N ATOM 1150 CA ARG A 93 -1.413 -27.128 -3.969 1.00 0.00 C ATOM 1151 C ARG A 93 -0.803 -28.262 -3.205 1.00 0.00 C ATOM 1152 O ARG A 93 -0.303 -29.210 -3.787 1.00 0.00 O ATOM 1153 CB ARG A 93 -0.392 -26.474 -4.930 1.00 0.00 C ATOM 1154 CG ARG A 93 0.726 -25.680 -4.261 1.00 0.00 C ATOM 1155 CD ARG A 93 1.865 -26.529 -3.695 1.00 0.00 C ATOM 1156 NE ARG A 93 2.889 -25.674 -3.080 1.00 0.00 N ATOM 1157 CZ ARG A 93 3.752 -26.044 -2.119 1.00 0.00 C ATOM 1158 NH1 ARG A 93 3.816 -27.312 -1.710 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.569 -25.143 -1.592 1.00 0.00 N ATOM 0 H ARG A 93 -1.384 -25.599 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.210 -27.546 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.058 -27.256 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.930 -25.810 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.140 -24.980 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.298 -25.086 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.473 -27.227 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.311 -27.126 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 93 2.950 -24.712 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.205 -28.014 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.476 -27.580 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.540 -24.176 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.227 -25.416 -0.862 1.00 0.00 H new ATOM 1173 N ALA A 94 -0.885 -28.188 -1.901 1.00 0.00 N ATOM 1174 CA ALA A 94 -0.288 -29.183 -1.014 1.00 0.00 C ATOM 1175 C ALA A 94 -1.149 -30.449 -0.928 1.00 0.00 C ATOM 1176 O ALA A 94 -0.976 -31.266 -0.036 1.00 0.00 O ATOM 1177 CB ALA A 94 -0.113 -28.572 0.372 1.00 0.00 C ATOM 0 H ALA A 94 -1.368 -27.435 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 94 0.681 -29.473 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.332 -29.309 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.539 -27.701 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.085 -28.269 0.761 1.00 0.00 H new ATOM 1485 N GLU B 43 8.045 4.033 -2.396 1.00 0.00 N ATOM 1486 CA GLU B 43 6.606 3.972 -2.335 1.00 0.00 C ATOM 1487 C GLU B 43 6.025 3.457 -3.621 1.00 0.00 C ATOM 1488 O GLU B 43 4.974 2.850 -3.608 1.00 0.00 O ATOM 1489 CB GLU B 43 5.999 5.311 -1.942 1.00 0.00 C ATOM 1490 CG GLU B 43 6.382 6.473 -2.828 1.00 0.00 C ATOM 1491 CD GLU B 43 5.971 7.797 -2.248 1.00 0.00 C ATOM 1492 OE1 GLU B 43 6.316 8.081 -1.083 1.00 0.00 O ATOM 1493 OE2 GLU B 43 5.318 8.598 -2.956 1.00 0.00 O ATOM 0 HA GLU B 43 6.345 3.262 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU B 43 4.913 5.215 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU B 43 6.296 5.541 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU B 43 7.461 6.467 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU B 43 5.918 6.348 -3.806 1.00 0.00 H new ATOM 1500 N LYS B 44 6.727 3.661 -4.726 1.00 0.00 N ATOM 1501 CA LYS B 44 6.253 3.173 -6.003 1.00 0.00 C ATOM 1502 C LYS B 44 6.333 1.653 -5.978 1.00 0.00 C ATOM 1503 O LYS B 44 5.372 0.968 -6.317 1.00 0.00 O ATOM 1504 CB LYS B 44 7.082 3.787 -7.161 1.00 0.00 C ATOM 1505 CG LYS B 44 6.496 3.616 -8.590 1.00 0.00 C ATOM 1506 CD LYS B 44 6.562 2.179 -9.130 1.00 0.00 C ATOM 1507 CE LYS B 44 7.999 1.710 -9.358 1.00 0.00 C ATOM 1508 NZ LYS B 44 8.679 2.492 -10.411 1.00 0.00 N ATOM 0 H LYS B 44 7.618 4.157 -4.760 1.00 0.00 H new ATOM 0 HA LYS B 44 5.219 3.473 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS B 44 7.205 4.852 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS B 44 8.077 3.342 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS B 44 5.456 3.943 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS B 44 7.034 4.274 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS B 44 6.070 1.506 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS B 44 6.010 2.120 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS B 44 8.559 1.793 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS B 44 7.996 0.656 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.575 2.029 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 8.069 2.547 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 8.873 3.452 -10.060 1.00 0.00 H new ATOM 1522 N ARG B 45 7.474 1.154 -5.523 1.00 0.00 N ATOM 1523 CA ARG B 45 7.725 -0.283 -5.389 1.00 0.00 C ATOM 1524 C ARG B 45 6.704 -0.917 -4.448 1.00 0.00 C ATOM 1525 O ARG B 45 6.052 -1.922 -4.775 1.00 0.00 O ATOM 1526 CB ARG B 45 9.118 -0.505 -4.808 1.00 0.00 C ATOM 1527 CG ARG B 45 10.258 -0.007 -5.673 1.00 0.00 C ATOM 1528 CD ARG B 45 11.565 -0.052 -4.903 1.00 0.00 C ATOM 1529 NE ARG B 45 11.881 -1.407 -4.451 1.00 0.00 N ATOM 1530 CZ ARG B 45 12.433 -1.742 -3.273 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.774 -0.806 -2.386 1.00 0.00 N ATOM 1532 NH2 ARG B 45 12.634 -3.019 -2.987 1.00 0.00 N ATOM 0 H ARG B 45 8.260 1.735 -5.233 1.00 0.00 H new ATOM 0 HA ARG B 45 7.646 -0.740 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG B 45 9.174 -0.010 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG B 45 9.256 -1.572 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG B 45 10.336 -0.620 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG B 45 10.056 1.013 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG B 45 12.372 0.318 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG B 45 11.503 0.614 -4.042 1.00 0.00 H new ATOM 0 HE ARG B 45 11.661 -2.170 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.616 0.179 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.192 -1.075 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG B 45 12.370 -3.740 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG B 45 13.053 -3.282 -2.095 1.00 0.00 H new ATOM 1546 N ARG B 46 6.558 -0.295 -3.297 1.00 0.00 N ATOM 1547 CA ARG B 46 5.689 -0.771 -2.251 1.00 0.00 C ATOM 1548 C ARG B 46 4.228 -0.760 -2.693 1.00 0.00 C ATOM 1549 O ARG B 46 3.579 -1.794 -2.694 1.00 0.00 O ATOM 1550 CB ARG B 46 5.836 0.112 -1.024 1.00 0.00 C ATOM 1551 CG ARG B 46 5.086 -0.389 0.193 1.00 0.00 C ATOM 1552 CD ARG B 46 4.938 0.711 1.220 1.00 0.00 C ATOM 1553 NE ARG B 46 6.216 1.252 1.672 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.554 2.557 1.661 1.00 0.00 C ATOM 1555 NH1 ARG B 46 5.679 3.492 1.222 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.752 2.920 2.090 1.00 0.00 N ATOM 0 H ARG B 46 7.049 0.568 -3.062 1.00 0.00 H new ATOM 0 HA ARG B 46 5.976 -1.797 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.894 0.197 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.484 1.115 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG B 46 4.102 -0.751 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.617 -1.234 0.632 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.339 1.517 0.796 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.390 0.325 2.080 1.00 0.00 H new ATOM 0 HE ARG B 46 6.908 0.590 2.024 1.00 0.00 H new ATOM 0 HH11 ARG B 46 4.754 3.212 0.896 1.00 0.00 H new ATOM 0 HH12 ARG B 46 5.944 4.477 1.218 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.409 2.215 2.425 1.00 0.00 H new ATOM 0 HH22 ARG B 46 8.018 3.905 2.086 1.00 0.00 H new ATOM 1570 N ARG B 47 3.740 0.411 -3.097 1.00 0.00 N ATOM 1571 CA ARG B 47 2.330 0.613 -3.433 1.00 0.00 C ATOM 1572 C ARG B 47 1.890 -0.279 -4.564 1.00 0.00 C ATOM 1573 O ARG B 47 0.787 -0.830 -4.520 1.00 0.00 O ATOM 1574 CB ARG B 47 2.040 2.080 -3.736 1.00 0.00 C ATOM 1575 CG ARG B 47 0.570 2.411 -3.903 1.00 0.00 C ATOM 1576 CD ARG B 47 0.386 3.882 -4.182 1.00 0.00 C ATOM 1577 NE ARG B 47 -1.022 4.252 -4.294 1.00 0.00 N ATOM 1578 CZ ARG B 47 -1.467 5.453 -4.673 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.606 6.426 -4.989 1.00 0.00 N ATOM 1580 NH2 ARG B 47 -2.770 5.678 -4.723 1.00 0.00 N ATOM 0 H ARG B 47 4.312 1.249 -3.201 1.00 0.00 H new ATOM 0 HA ARG B 47 1.745 0.332 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.447 2.691 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG B 47 2.568 2.360 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG B 47 0.150 1.825 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG B 47 0.025 2.135 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG B 47 0.850 4.462 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG B 47 0.902 4.142 -5.106 1.00 0.00 H new ATOM 0 HE ARG B 47 -1.717 3.541 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG B 47 0.398 6.254 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.953 7.341 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -3.425 4.937 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -3.119 6.592 -5.011 1.00 0.00 H new ATOM 1594 N ALA B 48 2.757 -0.454 -5.548 1.00 0.00 N ATOM 1595 CA ALA B 48 2.480 -1.335 -6.655 1.00 0.00 C ATOM 1596 C ALA B 48 2.192 -2.718 -6.138 1.00 0.00 C ATOM 1597 O ALA B 48 1.101 -3.243 -6.354 1.00 0.00 O ATOM 1598 CB ALA B 48 3.636 -1.361 -7.636 1.00 0.00 C ATOM 0 H ALA B 48 3.664 0.010 -5.596 1.00 0.00 H new ATOM 0 HA ALA B 48 1.605 -0.962 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.399 -2.034 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.806 -0.357 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.535 -1.711 -7.129 1.00 0.00 H new ATOM 1604 N ARG B 49 3.118 -3.262 -5.345 1.00 0.00 N ATOM 1605 CA ARG B 49 2.941 -4.597 -4.816 1.00 0.00 C ATOM 1606 C ARG B 49 1.767 -4.677 -3.855 1.00 0.00 C ATOM 1607 O ARG B 49 1.175 -5.734 -3.715 1.00 0.00 O ATOM 1608 CB ARG B 49 4.203 -5.178 -4.172 1.00 0.00 C ATOM 1609 CG ARG B 49 5.304 -5.578 -5.135 1.00 0.00 C ATOM 1610 CD ARG B 49 6.403 -6.331 -4.391 1.00 0.00 C ATOM 1611 NE ARG B 49 7.483 -6.771 -5.275 1.00 0.00 N ATOM 1612 CZ ARG B 49 8.444 -7.657 -4.955 1.00 0.00 C ATOM 1613 NH1 ARG B 49 8.403 -8.322 -3.792 1.00 0.00 N ATOM 1614 NH2 ARG B 49 9.418 -7.905 -5.818 1.00 0.00 N ATOM 0 H ARG B 49 3.982 -2.799 -5.064 1.00 0.00 H new ATOM 0 HA ARG B 49 2.721 -5.217 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.604 -4.443 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.921 -6.053 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.895 -6.205 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.720 -4.691 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG B 49 6.815 -5.689 -3.612 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.970 -7.199 -3.893 1.00 0.00 H new ATOM 0 HE ARG B 49 7.510 -6.372 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.637 -8.159 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.137 -8.991 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG B 49 9.436 -7.426 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG B 49 10.150 -8.575 -5.582 1.00 0.00 H new ATOM 1628 N ILE B 50 1.434 -3.574 -3.184 1.00 0.00 N ATOM 1629 CA ILE B 50 0.269 -3.557 -2.316 1.00 0.00 C ATOM 1630 C ILE B 50 -0.990 -3.831 -3.133 1.00 0.00 C ATOM 1631 O ILE B 50 -1.725 -4.776 -2.849 1.00 0.00 O ATOM 1632 CB ILE B 50 0.115 -2.212 -1.547 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.327 -1.990 -0.655 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.161 -2.224 -0.697 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.370 -0.646 0.014 1.00 0.00 C ATOM 0 H ILE B 50 1.950 -2.695 -3.227 1.00 0.00 H new ATOM 0 HA ILE B 50 0.411 -4.340 -1.572 1.00 0.00 H new ATOM 0 HB ILE B 50 0.044 -1.400 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.345 -2.764 0.112 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.230 -2.113 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.253 -1.277 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.027 -2.364 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.111 -3.040 0.024 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.267 -0.575 0.630 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.387 0.137 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.488 -0.524 0.642 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.202 -3.049 -4.187 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.407 -3.216 -5.001 1.00 0.00 C ATOM 1649 C ASN B 51 -2.387 -4.552 -5.707 1.00 0.00 C ATOM 1650 O ASN B 51 -3.387 -5.271 -5.709 1.00 0.00 O ATOM 1651 CB ASN B 51 -2.627 -2.095 -6.044 1.00 0.00 C ATOM 1652 CG ASN B 51 -2.739 -0.700 -5.457 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -3.817 -0.270 -5.004 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -1.665 0.047 -5.529 1.00 0.00 N ATOM 0 H ASN B 51 -0.572 -2.308 -4.495 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.239 -3.162 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -1.801 -2.111 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.535 -2.313 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -1.694 1.015 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -0.799 -0.339 -5.906 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.230 -4.907 -6.263 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.084 -6.149 -7.001 1.00 0.00 C ATOM 1663 C GLU B 52 -1.346 -7.362 -6.125 1.00 0.00 C ATOM 1664 O GLU B 52 -2.040 -8.286 -6.545 1.00 0.00 O ATOM 1665 CB GLU B 52 0.299 -6.286 -7.637 1.00 0.00 C ATOM 1666 CG GLU B 52 0.676 -5.178 -8.600 1.00 0.00 C ATOM 1667 CD GLU B 52 1.978 -5.460 -9.294 1.00 0.00 C ATOM 1668 OE1 GLU B 52 3.017 -5.565 -8.619 1.00 0.00 O ATOM 1669 OE2 GLU B 52 1.965 -5.662 -10.534 1.00 0.00 O ATOM 0 H GLU B 52 -0.380 -4.346 -6.213 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.832 -6.110 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU B 52 1.045 -6.326 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.346 -7.238 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.113 -5.058 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.750 -4.235 -8.058 1.00 0.00 H new ATOM 1676 N SER B 53 -0.824 -7.362 -4.906 1.00 0.00 N ATOM 1677 CA SER B 53 -0.966 -8.513 -4.060 1.00 0.00 C ATOM 1678 C SER B 53 -2.368 -8.595 -3.485 1.00 0.00 C ATOM 1679 O SER B 53 -2.932 -9.664 -3.404 1.00 0.00 O ATOM 1680 CB SER B 53 0.085 -8.509 -2.958 1.00 0.00 C ATOM 1681 OG SER B 53 1.385 -8.380 -3.516 1.00 0.00 O ATOM 0 H SER B 53 -0.307 -6.584 -4.495 1.00 0.00 H new ATOM 0 HA SER B 53 -0.806 -9.403 -4.669 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.105 -7.687 -2.268 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.020 -9.431 -2.381 1.00 0.00 H new ATOM 0 HG SER B 53 1.564 -7.437 -3.713 1.00 0.00 H new ATOM 1687 N LEU B 54 -2.945 -7.449 -3.143 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.274 -7.414 -2.564 1.00 0.00 C ATOM 1689 C LEU B 54 -5.310 -7.826 -3.625 1.00 0.00 C ATOM 1690 O LEU B 54 -6.256 -8.566 -3.336 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.555 -5.999 -2.040 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.399 -5.879 -0.763 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.406 -4.448 -0.289 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -6.825 -6.360 -0.967 1.00 0.00 C ATOM 0 H LEU B 54 -2.510 -6.534 -3.258 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.341 -8.115 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.598 -5.509 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.056 -5.439 -2.830 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.943 -6.521 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.006 -4.368 0.617 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.385 -4.130 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.832 -3.810 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.381 -6.255 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.303 -5.763 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.816 -7.408 -1.268 1.00 0.00 H new ATOM 1706 N SER B 55 -5.103 -7.375 -4.851 1.00 0.00 N ATOM 1707 CA SER B 55 -5.999 -7.699 -5.933 1.00 0.00 C ATOM 1708 C SER B 55 -5.961 -9.201 -6.237 1.00 0.00 C ATOM 1709 O SER B 55 -7.009 -9.856 -6.305 1.00 0.00 O ATOM 1710 CB SER B 55 -5.663 -6.872 -7.182 1.00 0.00 C ATOM 1711 OG SER B 55 -6.609 -7.090 -8.221 1.00 0.00 O ATOM 0 H SER B 55 -4.317 -6.781 -5.116 1.00 0.00 H new ATOM 0 HA SER B 55 -7.014 -7.445 -5.626 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.642 -5.813 -6.924 1.00 0.00 H new ATOM 0 HB3 SER B 55 -4.666 -7.134 -7.536 1.00 0.00 H new ATOM 0 HG SER B 55 -6.368 -6.548 -9.001 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.773 -9.765 -6.375 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.668 -11.183 -6.673 1.00 0.00 C ATOM 1719 C GLN B 56 -5.129 -12.019 -5.475 1.00 0.00 C ATOM 1720 O GLN B 56 -5.652 -13.106 -5.648 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.255 -11.562 -7.121 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.202 -11.368 -6.062 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.813 -11.606 -6.569 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.304 -12.723 -6.535 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.183 -10.565 -7.031 1.00 0.00 N ATOM 0 H GLN B 56 -3.883 -9.274 -6.288 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.331 -11.403 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.252 -12.606 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -2.990 -10.967 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.271 -10.353 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.401 -12.045 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.642 -9.654 -7.042 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.770 -10.660 -7.383 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.969 -11.468 -4.273 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.401 -12.111 -3.040 1.00 0.00 C ATOM 1736 C LEU B 57 -6.896 -12.394 -3.120 1.00 0.00 C ATOM 1737 O LEU B 57 -7.313 -13.550 -3.083 1.00 0.00 O ATOM 1738 CB LEU B 57 -5.042 -11.191 -1.833 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.282 -11.696 -0.399 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.486 -10.842 0.580 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.751 -11.626 -0.022 1.00 0.00 C ATOM 0 H LEU B 57 -4.533 -10.557 -4.130 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.890 -13.063 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.985 -10.938 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.602 -10.263 -1.951 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.960 -12.736 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.656 -11.199 1.596 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.424 -10.911 0.343 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.808 -9.804 0.502 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.883 -11.990 0.997 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -7.094 -10.593 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.332 -12.244 -0.706 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.689 -11.342 -3.309 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.143 -11.487 -3.398 1.00 0.00 C ATOM 1755 C LYS B 58 -9.562 -12.371 -4.579 1.00 0.00 C ATOM 1756 O LYS B 58 -10.562 -13.088 -4.505 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.886 -10.105 -3.370 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.564 -9.095 -4.495 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.220 -9.454 -5.831 1.00 0.00 C ATOM 1760 CE LYS B 58 -9.853 -8.471 -6.944 1.00 0.00 C ATOM 1761 NZ LYS B 58 -10.294 -7.091 -6.657 1.00 0.00 N ATOM 0 H LYS B 58 -7.353 -10.384 -3.403 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.464 -12.012 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -10.958 -10.300 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.667 -9.626 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -9.895 -8.102 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -8.484 -9.043 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -9.916 -10.459 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -11.303 -9.471 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -8.773 -8.480 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -10.302 -8.804 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.111 -6.489 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -11.312 -7.089 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -9.770 -6.722 -5.838 1.00 0.00 H new ATOM 1775 N THR B 59 -8.762 -12.347 -5.636 1.00 0.00 N ATOM 1776 CA THR B 59 -9.017 -13.140 -6.812 1.00 0.00 C ATOM 1777 C THR B 59 -8.868 -14.630 -6.480 1.00 0.00 C ATOM 1778 O THR B 59 -9.803 -15.409 -6.657 1.00 0.00 O ATOM 1779 CB THR B 59 -8.050 -12.748 -7.953 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.150 -11.330 -8.201 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.380 -13.507 -9.232 1.00 0.00 C ATOM 0 H THR B 59 -7.920 -11.774 -5.694 1.00 0.00 H new ATOM 0 HA THR B 59 -10.037 -12.950 -7.146 1.00 0.00 H new ATOM 0 HB THR B 59 -7.035 -13.005 -7.649 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.480 -10.856 -7.665 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.685 -13.213 -10.019 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.292 -14.578 -9.052 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.399 -13.273 -9.541 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.715 -14.996 -5.935 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.427 -16.378 -5.590 1.00 0.00 C ATOM 1791 C LEU B 60 -8.348 -16.879 -4.504 1.00 0.00 C ATOM 1792 O LEU B 60 -8.836 -17.973 -4.581 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.949 -16.586 -5.199 1.00 0.00 C ATOM 1794 CG LEU B 60 -4.923 -16.785 -6.336 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.207 -18.071 -7.094 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -4.893 -15.601 -7.291 1.00 0.00 C ATOM 0 H LEU B 60 -6.959 -14.346 -5.722 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.610 -16.969 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.634 -15.724 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.895 -17.455 -4.544 1.00 0.00 H new ATOM 0 HG LEU B 60 -3.938 -16.857 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.473 -18.193 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.145 -18.918 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.207 -18.026 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.158 -15.784 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.877 -15.471 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.622 -14.698 -6.743 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.613 -16.057 -3.518 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.520 -16.420 -2.437 1.00 0.00 C ATOM 1810 C ILE B 61 -10.927 -16.769 -2.972 1.00 0.00 C ATOM 1811 O ILE B 61 -11.551 -17.804 -2.579 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.622 -15.268 -1.403 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -8.319 -15.122 -0.597 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.820 -15.432 -0.502 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.938 -16.338 0.228 1.00 0.00 C ATOM 0 H ILE B 61 -8.213 -15.122 -3.435 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.111 -17.305 -1.950 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.766 -14.342 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.505 -14.900 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.415 -14.265 0.069 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.857 -14.606 0.208 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.729 -15.435 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.741 -16.374 0.041 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.007 -16.140 0.760 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.728 -16.552 0.947 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.804 -17.197 -0.430 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.418 -15.937 -3.857 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.739 -16.104 -4.395 1.00 0.00 C ATOM 1829 C LEU B 62 -12.756 -17.332 -5.305 1.00 0.00 C ATOM 1830 O LEU B 62 -13.640 -18.146 -5.209 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.153 -14.820 -5.165 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.669 -14.533 -5.381 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.371 -15.608 -6.181 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.377 -14.296 -4.053 1.00 0.00 C ATOM 0 H LEU B 62 -10.913 -15.129 -4.221 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.459 -16.260 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.727 -13.967 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.680 -14.856 -6.147 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.724 -13.621 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.423 -15.348 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -14.908 -15.690 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.288 -16.562 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.433 -14.098 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.276 -15.180 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.929 -13.440 -3.549 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.725 -17.486 -6.098 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.664 -18.532 -7.133 1.00 0.00 C ATOM 1848 C ASP B 63 -11.294 -19.895 -6.583 1.00 0.00 C ATOM 1849 O ASP B 63 -11.659 -20.903 -7.137 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.631 -18.146 -8.140 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.762 -18.875 -9.459 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -11.694 -18.557 -10.241 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.910 -19.729 -9.766 1.00 0.00 O ATOM 0 H ASP B 63 -10.893 -16.897 -6.058 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.660 -18.609 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.696 -17.073 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.642 -18.340 -7.725 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.559 -19.922 -5.506 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.117 -21.178 -4.926 1.00 0.00 C ATOM 1860 C ALA B 64 -11.194 -21.774 -4.080 1.00 0.00 C ATOM 1861 O ALA B 64 -11.315 -22.993 -3.977 1.00 0.00 O ATOM 1862 CB ALA B 64 -8.843 -20.985 -4.122 1.00 0.00 C ATOM 0 H ALA B 64 -10.248 -19.090 -5.004 1.00 0.00 H new ATOM 0 HA ALA B 64 -9.899 -21.870 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -8.532 -21.940 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.056 -20.604 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.025 -20.273 -3.317 1.00 0.00 H new ATOM 1868 N LEU B 65 -11.995 -20.927 -3.466 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.063 -21.455 -2.636 1.00 0.00 C ATOM 1870 C LEU B 65 -14.403 -21.367 -3.295 1.00 0.00 C ATOM 1871 O LEU B 65 -15.354 -22.028 -2.868 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.089 -20.869 -1.232 1.00 0.00 C ATOM 1873 CG LEU B 65 -11.917 -21.284 -0.308 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -10.626 -20.541 -0.614 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -12.291 -21.173 1.156 1.00 0.00 C ATOM 0 H LEU B 65 -11.935 -19.910 -3.519 1.00 0.00 H new ATOM 0 HA LEU B 65 -12.831 -22.513 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -13.097 -19.782 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.024 -21.160 -0.754 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.721 -22.335 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -9.843 -20.876 0.067 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -10.324 -20.744 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -10.784 -19.470 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -11.443 -21.473 1.772 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -12.560 -20.142 1.386 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -13.139 -21.824 1.365 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.469 -20.551 -4.326 1.00 0.00 N ATOM 1888 CA LYS B 66 -15.657 -20.335 -5.133 1.00 0.00 C ATOM 1889 C LYS B 66 -16.897 -20.065 -4.329 1.00 0.00 C ATOM 1890 O LYS B 66 -17.798 -20.902 -4.205 1.00 0.00 O ATOM 1891 CB LYS B 66 -15.801 -21.377 -6.226 1.00 0.00 C ATOM 1892 CG LYS B 66 -14.802 -21.140 -7.352 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.382 -22.418 -8.050 1.00 0.00 C ATOM 1894 CE LYS B 66 -13.542 -23.278 -7.117 1.00 0.00 C ATOM 1895 NZ LYS B 66 -12.920 -24.404 -7.815 1.00 0.00 N ATOM 0 H LYS B 66 -13.670 -19.999 -4.638 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.510 -19.394 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -15.649 -22.371 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -16.815 -21.351 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.241 -20.461 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -13.918 -20.646 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.264 -22.972 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -13.812 -22.180 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -12.767 -22.664 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -14.169 -23.655 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -12.358 -24.962 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -13.659 -25.006 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -12.300 -24.045 -8.569 1.00 0.00 H new ATOM 1909 N LYS B 67 -16.828 -18.940 -3.662 1.00 0.00 N ATOM 1910 CA LYS B 67 -17.901 -18.409 -2.859 1.00 0.00 C ATOM 1911 C LYS B 67 -19.131 -18.104 -3.707 1.00 0.00 C ATOM 1912 O LYS B 67 -20.048 -18.917 -3.788 1.00 0.00 O ATOM 1913 CB LYS B 67 -17.402 -17.155 -2.162 1.00 0.00 C ATOM 1914 CG LYS B 67 -16.250 -17.422 -1.223 1.00 0.00 C ATOM 1915 CD LYS B 67 -15.592 -16.156 -0.756 1.00 0.00 C ATOM 1916 CE LYS B 67 -14.531 -16.483 0.250 1.00 0.00 C ATOM 1917 NZ LYS B 67 -13.608 -17.535 -0.241 1.00 0.00 N ATOM 0 H LYS B 67 -15.996 -18.349 -3.663 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.202 -19.151 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.091 -16.428 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -18.223 -16.705 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -16.610 -17.982 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -15.513 -18.049 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -15.154 -15.628 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -16.333 -15.490 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -13.963 -15.583 0.484 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -14.999 -16.815 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -12.780 -17.590 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -14.099 -18.452 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -13.298 -17.302 -1.206 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.112 -16.966 -4.369 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.212 -16.520 -5.202 1.00 0.00 C ATOM 1933 C ASP B 68 -19.783 -15.249 -5.816 1.00 0.00 C ATOM 1934 O ASP B 68 -18.954 -14.522 -5.235 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.467 -16.231 -4.379 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.752 -16.260 -5.193 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.974 -15.340 -6.003 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -23.578 -17.185 -5.002 1.00 0.00 O ATOM 0 H ASP B 68 -18.325 -16.317 -4.344 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.450 -17.296 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -21.540 -16.963 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.366 -15.252 -3.910 1.00 0.00 H new ATOM 1943 N SER B 69 -20.332 -14.951 -6.921 1.00 0.00 N ATOM 1944 CA SER B 69 -20.002 -13.764 -7.609 1.00 0.00 C ATOM 1945 C SER B 69 -20.827 -12.593 -7.094 1.00 0.00 C ATOM 1946 O SER B 69 -20.381 -11.443 -7.130 1.00 0.00 O ATOM 1947 CB SER B 69 -20.183 -13.941 -9.098 1.00 0.00 C ATOM 1948 OG SER B 69 -19.323 -14.947 -9.622 1.00 0.00 O ATOM 0 H SER B 69 -21.034 -15.528 -7.385 1.00 0.00 H new ATOM 0 HA SER B 69 -18.951 -13.542 -7.421 1.00 0.00 H new ATOM 0 HB2 SER B 69 -21.220 -14.204 -9.309 1.00 0.00 H new ATOM 0 HB3 SER B 69 -19.985 -12.995 -9.603 1.00 0.00 H new ATOM 0 HG SER B 69 -19.471 -15.033 -10.587 1.00 0.00 H new ATOM 1954 N SER B 70 -22.001 -12.891 -6.564 1.00 0.00 N ATOM 1955 CA SER B 70 -22.874 -11.872 -6.056 1.00 0.00 C ATOM 1956 C SER B 70 -22.239 -11.256 -4.823 1.00 0.00 C ATOM 1957 O SER B 70 -22.159 -10.031 -4.694 1.00 0.00 O ATOM 1958 CB SER B 70 -24.262 -12.463 -5.751 1.00 0.00 C ATOM 1959 OG SER B 70 -25.204 -11.468 -5.363 1.00 0.00 O ATOM 0 H SER B 70 -22.364 -13.840 -6.479 1.00 0.00 H new ATOM 0 HA SER B 70 -23.016 -11.090 -6.802 1.00 0.00 H new ATOM 0 HB2 SER B 70 -24.633 -12.986 -6.633 1.00 0.00 H new ATOM 0 HB3 SER B 70 -24.172 -13.203 -4.956 1.00 0.00 H new ATOM 0 HG SER B 70 -26.070 -11.890 -5.182 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.692 -12.101 -3.955 1.00 0.00 N ATOM 1966 CA ARG B 71 -21.069 -11.593 -2.758 1.00 0.00 C ATOM 1967 C ARG B 71 -19.674 -11.056 -3.035 1.00 0.00 C ATOM 1968 O ARG B 71 -19.088 -10.396 -2.197 1.00 0.00 O ATOM 1969 CB ARG B 71 -21.155 -12.589 -1.562 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.283 -13.863 -1.576 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.821 -13.588 -1.167 1.00 0.00 C ATOM 1972 NE ARG B 71 -18.696 -12.374 -0.308 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.354 -12.304 0.992 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -18.135 -13.399 1.713 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.251 -11.113 1.567 1.00 0.00 N ATOM 0 H ARG B 71 -21.671 -13.115 -4.061 1.00 0.00 H new ATOM 0 HA ARG B 71 -21.650 -10.732 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.911 -12.035 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -22.195 -12.904 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -20.713 -14.600 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.301 -14.300 -2.575 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.426 -14.452 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.212 -13.462 -2.062 1.00 0.00 H new ATOM 0 HE ARG B 71 -18.895 -11.484 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -18.225 -14.319 1.283 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -17.877 -13.319 2.697 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -18.430 -10.268 1.025 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -17.993 -11.042 2.551 1.00 0.00 H new ATOM 1989 N HIS B 72 -19.163 -11.315 -4.239 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.866 -10.776 -4.664 1.00 0.00 C ATOM 1991 C HIS B 72 -17.972 -9.253 -4.813 1.00 0.00 C ATOM 1992 O HIS B 72 -16.985 -8.528 -4.718 1.00 0.00 O ATOM 1993 CB HIS B 72 -17.398 -11.446 -5.986 1.00 0.00 C ATOM 1994 CG HIS B 72 -16.078 -10.945 -6.537 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.841 -11.364 -6.094 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -15.829 -10.045 -7.521 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.909 -10.728 -6.798 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -14.454 -9.911 -7.679 1.00 0.00 N ATOM 0 H HIS B 72 -19.626 -11.895 -4.939 1.00 0.00 H new ATOM 0 HA HIS B 72 -17.115 -11.000 -3.906 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -17.319 -12.520 -5.821 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -18.168 -11.296 -6.742 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -16.579 -9.517 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.846 -10.863 -6.666 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -13.967 -9.306 -8.340 1.00 0.00 H new ATOM 2006 N SER B 73 -19.191 -8.776 -4.983 1.00 0.00 N ATOM 2007 CA SER B 73 -19.457 -7.362 -5.113 1.00 0.00 C ATOM 2008 C SER B 73 -19.604 -6.701 -3.727 1.00 0.00 C ATOM 2009 O SER B 73 -19.988 -5.533 -3.609 1.00 0.00 O ATOM 2010 CB SER B 73 -20.712 -7.175 -5.940 1.00 0.00 C ATOM 2011 OG SER B 73 -20.617 -7.926 -7.153 1.00 0.00 O ATOM 0 H SER B 73 -20.024 -9.362 -5.034 1.00 0.00 H new ATOM 0 HA SER B 73 -18.619 -6.878 -5.614 1.00 0.00 H new ATOM 0 HB2 SER B 73 -21.584 -7.498 -5.371 1.00 0.00 H new ATOM 0 HB3 SER B 73 -20.853 -6.118 -6.167 1.00 0.00 H new ATOM 0 HG SER B 73 -21.433 -7.800 -7.680 1.00 0.00 H new ATOM 2017 N LYS B 74 -19.266 -7.445 -2.696 1.00 0.00 N ATOM 2018 CA LYS B 74 -19.322 -6.953 -1.352 1.00 0.00 C ATOM 2019 C LYS B 74 -18.141 -7.496 -0.581 1.00 0.00 C ATOM 2020 O LYS B 74 -18.254 -8.471 0.183 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.638 -7.319 -0.653 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.879 -6.704 0.757 1.00 0.00 C ATOM 2023 CD LYS B 74 -21.249 -5.210 0.724 1.00 0.00 C ATOM 2024 CE LYS B 74 -20.042 -4.281 0.670 1.00 0.00 C ATOM 2025 NZ LYS B 74 -19.191 -4.422 1.862 1.00 0.00 N ATOM 0 H LYS B 74 -18.945 -8.410 -2.775 1.00 0.00 H new ATOM 0 HA LYS B 74 -19.279 -5.864 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.462 -7.018 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.684 -8.404 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.677 -7.256 1.253 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -19.980 -6.834 1.359 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.881 -5.020 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -21.841 -4.972 1.608 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.456 -4.498 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -20.381 -3.249 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.607 -3.569 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.790 -4.545 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -18.574 -5.252 1.752 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.005 -6.956 -0.888 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.802 -7.247 -0.194 1.00 0.00 C ATOM 2041 C LEU B 75 -15.081 -5.987 0.123 1.00 0.00 C ATOM 2042 O LEU B 75 -14.665 -5.238 -0.768 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.877 -8.182 -0.951 1.00 0.00 C ATOM 2044 CG LEU B 75 -14.966 -9.686 -0.657 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -15.072 -9.998 0.838 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -16.012 -10.403 -1.495 1.00 0.00 C ATOM 0 H LEU B 75 -16.891 -6.285 -1.647 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.094 -7.763 0.721 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -15.059 -8.040 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.852 -7.865 -0.758 1.00 0.00 H new ATOM 0 HG LEU B 75 -14.010 -10.102 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -15.132 -11.077 0.981 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.193 -9.612 1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -15.967 -9.528 1.245 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -16.022 -11.462 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -16.994 -9.972 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -15.771 -10.290 -2.552 1.00 0.00 H new ATOM 2058 N GLU B 76 -14.944 -5.751 1.371 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.239 -4.594 1.862 1.00 0.00 C ATOM 2060 C GLU B 76 -12.830 -5.013 2.128 1.00 0.00 C ATOM 2061 O GLU B 76 -12.588 -6.198 2.303 1.00 0.00 O ATOM 2062 CB GLU B 76 -14.868 -4.088 3.155 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.291 -3.623 2.987 1.00 0.00 C ATOM 2064 CD GLU B 76 -16.418 -2.492 2.016 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -15.625 -1.533 2.086 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.312 -2.561 1.132 1.00 0.00 O ATOM 0 H GLU B 76 -15.317 -6.354 2.104 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.283 -3.789 1.128 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -14.839 -4.883 3.900 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.268 -3.265 3.544 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -16.904 -4.458 2.648 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -16.684 -3.311 3.955 1.00 0.00 H new ATOM 2073 N LYS B 77 -11.903 -4.080 2.182 1.00 0.00 N ATOM 2074 CA LYS B 77 -10.508 -4.418 2.435 1.00 0.00 C ATOM 2075 C LYS B 77 -10.337 -5.213 3.729 1.00 0.00 C ATOM 2076 O LYS B 77 -9.630 -6.208 3.764 1.00 0.00 O ATOM 2077 CB LYS B 77 -9.629 -3.182 2.410 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.181 -3.462 2.796 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.204 -2.546 2.082 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.524 -1.111 2.321 1.00 0.00 C ATOM 2081 NZ LYS B 77 -6.632 -0.208 1.553 1.00 0.00 N ATOM 0 H LYS B 77 -12.083 -3.084 2.055 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.180 -5.068 1.624 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -9.654 -2.748 1.411 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.042 -2.438 3.091 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.066 -3.343 3.873 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -7.940 -4.499 2.562 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -6.191 -2.756 2.425 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -7.227 -2.751 1.012 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -8.560 -0.919 2.043 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -7.433 -0.892 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -6.888 0.781 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -5.645 -0.372 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -6.737 -0.399 0.536 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.063 -4.804 4.753 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.045 -5.476 6.050 1.00 0.00 C ATOM 2097 C ALA B 78 -11.576 -6.913 5.938 1.00 0.00 C ATOM 2098 O ALA B 78 -11.149 -7.812 6.673 1.00 0.00 O ATOM 2099 CB ALA B 78 -11.876 -4.691 7.047 1.00 0.00 C ATOM 0 H ALA B 78 -11.684 -3.996 4.714 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.012 -5.524 6.396 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -11.859 -5.197 8.013 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.463 -3.688 7.155 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -12.904 -4.623 6.691 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.474 -7.120 4.996 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.086 -8.443 4.778 1.00 0.00 C ATOM 2107 C ASP B 79 -12.151 -9.316 4.030 1.00 0.00 C ATOM 2108 O ASP B 79 -11.979 -10.477 4.349 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.398 -8.353 3.996 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.576 -7.927 4.828 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.840 -6.724 4.941 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.296 -8.796 5.354 1.00 0.00 O ATOM 0 H ASP B 79 -12.806 -6.395 4.360 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.300 -8.860 5.762 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.272 -7.648 3.174 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -14.612 -9.325 3.552 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.543 -8.732 3.037 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.599 -9.397 2.174 1.00 0.00 C ATOM 2119 C ILE B 80 -9.398 -9.910 2.973 1.00 0.00 C ATOM 2120 O ILE B 80 -9.018 -11.071 2.839 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.171 -8.425 1.051 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.388 -8.105 0.186 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.052 -9.009 0.206 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.238 -6.875 -0.664 1.00 0.00 C ATOM 0 H ILE B 80 -11.692 -7.752 2.796 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.069 -10.269 1.719 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.787 -7.510 1.502 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.592 -8.957 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.256 -7.981 0.833 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -8.776 -8.299 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.186 -9.209 0.837 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.390 -9.938 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.147 -6.722 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.066 -6.009 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.392 -7.001 -1.340 1.00 0.00 H new ATOM 2136 N LEU B 81 -8.860 -9.059 3.843 1.00 0.00 N ATOM 2137 CA LEU B 81 -7.724 -9.432 4.686 1.00 0.00 C ATOM 2138 C LEU B 81 -8.110 -10.590 5.607 1.00 0.00 C ATOM 2139 O LEU B 81 -7.422 -11.618 5.653 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.255 -8.240 5.526 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.880 -6.963 4.765 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -6.430 -5.892 5.733 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -5.806 -7.231 3.718 1.00 0.00 C ATOM 0 H LEU B 81 -9.192 -8.105 3.984 1.00 0.00 H new ATOM 0 HA LEU B 81 -6.906 -9.744 4.036 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.044 -7.993 6.236 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.389 -8.555 6.109 1.00 0.00 H new ATOM 0 HG LEU B 81 -7.767 -6.611 4.239 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.166 -4.990 5.181 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.238 -5.668 6.429 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -5.561 -6.245 6.288 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.565 -6.304 3.198 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -4.911 -7.617 4.206 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.173 -7.965 3.000 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.234 -10.426 6.297 1.00 0.00 N ATOM 2156 CA GLU B 82 -9.780 -11.444 7.194 1.00 0.00 C ATOM 2157 C GLU B 82 -10.040 -12.754 6.474 1.00 0.00 C ATOM 2158 O GLU B 82 -9.776 -13.822 7.019 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.050 -10.897 7.879 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.010 -11.901 8.439 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.160 -11.242 9.164 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.033 -10.981 10.369 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.224 -10.990 8.549 1.00 0.00 O ATOM 0 H GLU B 82 -9.798 -9.577 6.251 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.039 -11.667 7.962 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -10.740 -10.237 8.689 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -11.587 -10.283 7.156 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.399 -12.521 7.631 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.482 -12.564 9.124 1.00 0.00 H new ATOM 2170 N MET B 83 -10.497 -12.659 5.244 1.00 0.00 N ATOM 2171 CA MET B 83 -10.831 -13.817 4.444 1.00 0.00 C ATOM 2172 C MET B 83 -9.598 -14.702 4.272 1.00 0.00 C ATOM 2173 O MET B 83 -9.657 -15.890 4.536 1.00 0.00 O ATOM 2174 CB MET B 83 -11.385 -13.375 3.088 1.00 0.00 C ATOM 2175 CG MET B 83 -12.280 -14.397 2.399 1.00 0.00 C ATOM 2176 SD MET B 83 -13.729 -14.835 3.378 1.00 0.00 S ATOM 2177 CE MET B 83 -14.519 -13.238 3.571 1.00 0.00 C ATOM 0 H MET B 83 -10.648 -11.770 4.768 1.00 0.00 H new ATOM 0 HA MET B 83 -11.601 -14.398 4.952 1.00 0.00 H new ATOM 0 HB2 MET B 83 -11.950 -12.453 3.225 1.00 0.00 H new ATOM 0 HB3 MET B 83 -10.549 -13.142 2.428 1.00 0.00 H new ATOM 0 HG2 MET B 83 -12.604 -13.999 1.438 1.00 0.00 H new ATOM 0 HG3 MET B 83 -11.702 -15.298 2.192 1.00 0.00 H new ATOM 0 HE1 MET B 83 -15.559 -13.380 3.864 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.000 -12.666 4.340 1.00 0.00 H new ATOM 0 HE3 MET B 83 -14.479 -12.696 2.626 1.00 0.00 H new ATOM 2187 N THR B 84 -8.469 -14.102 3.894 1.00 0.00 N ATOM 2188 CA THR B 84 -7.215 -14.836 3.748 1.00 0.00 C ATOM 2189 C THR B 84 -6.786 -15.491 5.059 1.00 0.00 C ATOM 2190 O THR B 84 -6.346 -16.638 5.070 1.00 0.00 O ATOM 2191 CB THR B 84 -6.090 -13.911 3.279 1.00 0.00 C ATOM 2192 OG1 THR B 84 -6.565 -12.562 3.254 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.588 -14.313 1.905 1.00 0.00 C ATOM 0 H THR B 84 -8.399 -13.107 3.683 1.00 0.00 H new ATOM 0 HA THR B 84 -7.395 -15.611 3.003 1.00 0.00 H new ATOM 0 HB THR B 84 -5.257 -13.994 3.977 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.750 -12.263 4.169 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.789 -13.638 1.598 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.207 -15.334 1.941 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.407 -14.256 1.188 1.00 0.00 H new ATOM 2201 N VAL B 85 -6.951 -14.771 6.156 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.552 -15.265 7.468 1.00 0.00 C ATOM 2203 C VAL B 85 -7.409 -16.467 7.859 1.00 0.00 C ATOM 2204 O VAL B 85 -6.895 -17.519 8.247 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.711 -14.185 8.549 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.233 -14.668 9.916 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.010 -12.924 8.161 1.00 0.00 C ATOM 0 H VAL B 85 -7.361 -13.837 6.166 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.502 -15.550 7.401 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.777 -13.974 8.631 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.364 -13.872 10.649 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.815 -15.539 10.218 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.179 -14.938 9.858 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.141 -12.179 8.946 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -4.947 -13.125 8.025 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.430 -12.546 7.229 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.710 -16.320 7.709 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.641 -17.369 8.062 1.00 0.00 C ATOM 2219 C LYS B 86 -9.450 -18.596 7.154 1.00 0.00 C ATOM 2220 O LYS B 86 -9.577 -19.741 7.587 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.081 -16.869 8.006 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.386 -15.669 8.915 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.877 -15.486 9.028 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.280 -14.601 10.186 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.751 -14.497 10.294 1.00 0.00 N ATOM 0 H LYS B 86 -9.148 -15.475 7.341 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.433 -17.670 9.089 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.315 -16.595 6.977 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.746 -17.689 8.277 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -10.953 -15.829 9.903 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.929 -14.767 8.509 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.256 -15.056 8.101 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.349 -16.462 9.143 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.872 -15.003 11.113 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -12.851 -13.608 10.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -14.998 -13.884 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.136 -14.091 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -15.156 -15.443 10.444 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.092 -18.345 5.912 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.834 -19.415 4.950 1.00 0.00 C ATOM 2241 C HIS B 87 -7.522 -20.096 5.223 1.00 0.00 C ATOM 2242 O HIS B 87 -7.354 -21.274 4.902 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.893 -18.916 3.522 1.00 0.00 C ATOM 2244 CG HIS B 87 -10.259 -18.512 3.092 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -11.369 -18.489 3.918 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -10.681 -18.094 1.901 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -12.396 -18.069 3.214 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -12.033 -17.810 1.970 1.00 0.00 N ATOM 0 H HIS B 87 -8.970 -17.405 5.536 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.629 -20.151 5.075 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -8.220 -18.065 3.414 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.527 -19.698 2.857 1.00 0.00 H new ATOM 0 HD1 HIS B 87 -11.387 -18.753 4.903 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -10.065 -17.993 1.020 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -13.398 -17.952 3.599 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.597 -19.361 5.832 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.328 -19.904 6.248 1.00 0.00 C ATOM 2258 C LEU B 88 -5.596 -21.002 7.221 1.00 0.00 C ATOM 2259 O LEU B 88 -5.037 -22.074 7.119 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.475 -18.813 6.918 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.256 -19.288 7.716 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.235 -19.955 6.830 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.645 -18.143 8.493 1.00 0.00 C ATOM 0 H LEU B 88 -6.716 -18.371 6.047 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.782 -20.282 5.384 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.129 -18.128 6.144 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.118 -18.241 7.587 1.00 0.00 H new ATOM 0 HG LEU B 88 -3.599 -20.037 8.430 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.386 -20.278 7.432 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.685 -20.821 6.344 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -1.895 -19.250 6.072 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.781 -18.503 9.052 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.330 -17.361 7.802 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.383 -17.739 9.186 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.515 -20.730 8.124 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.875 -21.673 9.157 1.00 0.00 C ATOM 2277 C ARG B 89 -7.424 -22.933 8.506 1.00 0.00 C ATOM 2278 O ARG B 89 -6.970 -24.031 8.789 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.944 -21.094 10.095 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.800 -19.609 10.435 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.417 -19.226 10.929 1.00 0.00 C ATOM 2282 NE ARG B 89 -6.020 -19.961 12.131 1.00 0.00 N ATOM 2283 CZ ARG B 89 -5.817 -19.413 13.341 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -6.144 -18.132 13.573 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -5.350 -20.162 14.327 1.00 0.00 N ATOM 0 H ARG B 89 -7.031 -19.851 8.161 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.984 -21.895 9.744 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.922 -21.250 9.640 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.931 -21.663 11.025 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.036 -19.018 9.550 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.534 -19.347 11.198 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.690 -19.411 10.139 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.394 -18.157 11.139 1.00 0.00 H new ATOM 0 HE ARG B 89 -5.887 -20.968 12.043 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -6.550 -17.566 12.828 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.986 -17.724 14.495 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.147 -21.148 14.166 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.193 -19.753 15.248 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.347 -22.732 7.564 1.00 0.00 N ATOM 2300 CA ASN B 90 -9.031 -23.822 6.853 1.00 0.00 C ATOM 2301 C ASN B 90 -8.033 -24.701 6.143 1.00 0.00 C ATOM 2302 O ASN B 90 -7.968 -25.903 6.371 1.00 0.00 O ATOM 2303 CB ASN B 90 -10.021 -23.288 5.797 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.123 -22.402 6.338 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.523 -22.512 7.497 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.658 -21.548 5.486 1.00 0.00 N ATOM 0 H ASN B 90 -8.646 -21.803 7.268 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.576 -24.389 7.608 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.461 -22.728 5.048 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.476 -24.137 5.287 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.430 -20.950 5.780 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.299 -21.486 4.533 1.00 0.00 H new ATOM 2313 N LEU B 91 -7.216 -24.079 5.326 1.00 0.00 N ATOM 2314 CA LEU B 91 -6.243 -24.780 4.513 1.00 0.00 C ATOM 2315 C LEU B 91 -5.105 -25.354 5.332 1.00 0.00 C ATOM 2316 O LEU B 91 -4.387 -26.192 4.854 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.728 -23.883 3.404 1.00 0.00 C ATOM 2318 CG LEU B 91 -6.754 -23.412 2.373 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -6.139 -22.361 1.483 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -7.241 -24.581 1.524 1.00 0.00 C ATOM 0 H LEU B 91 -7.205 -23.066 5.204 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.754 -25.630 4.061 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -5.275 -23.003 3.860 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.935 -24.413 2.877 1.00 0.00 H new ATOM 0 HG LEU B 91 -7.606 -22.988 2.903 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -6.874 -22.029 0.750 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -5.821 -21.512 2.088 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -5.276 -22.781 0.966 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -7.970 -24.224 0.797 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -6.396 -25.028 1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -7.706 -25.329 2.167 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.933 -24.884 6.544 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.945 -25.438 7.442 1.00 0.00 C ATOM 2334 C GLN B 92 -4.473 -26.622 8.232 1.00 0.00 C ATOM 2335 O GLN B 92 -3.697 -27.422 8.743 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.394 -24.372 8.366 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.269 -23.572 7.754 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.985 -24.362 7.602 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.979 -25.585 7.421 1.00 0.00 O ATOM 2340 NE2 GLN B 92 0.101 -23.678 7.660 1.00 0.00 N ATOM 0 H GLN B 92 -5.470 -24.110 6.936 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.131 -25.813 6.821 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.200 -23.695 8.649 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.038 -24.844 9.282 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.582 -23.208 6.775 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.077 -22.696 8.373 1.00 0.00 H new ATOM 0 HE21 GLN B 92 0.061 -22.670 7.811 1.00 0.00 H new ATOM 0 HE22 GLN B 92 1.003 -24.143 7.555 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.776 -26.750 8.326 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.357 -27.870 9.055 1.00 0.00 C ATOM 2351 C ARG B 93 -6.985 -28.885 8.116 1.00 0.00 C ATOM 2352 O ARG B 93 -7.548 -29.885 8.550 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.327 -27.396 10.173 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.482 -26.486 9.742 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.582 -27.210 8.982 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.137 -28.329 9.751 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.003 -29.233 9.280 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.507 -29.096 8.058 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -11.377 -30.248 10.052 1.00 0.00 N ATOM 0 H ARG B 93 -6.452 -26.106 7.915 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.543 -28.386 9.564 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.750 -28.278 10.653 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -6.744 -26.871 10.929 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -8.912 -26.017 10.627 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.088 -25.685 9.117 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.378 -26.506 8.740 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.186 -27.581 8.037 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.839 -28.425 10.722 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -11.233 -28.302 7.480 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -12.167 -29.785 7.698 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -11.004 -30.334 10.997 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -12.037 -30.941 9.699 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.816 -28.648 6.822 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.374 -29.509 5.765 1.00 0.00 C ATOM 2375 C ALA B 94 -6.633 -30.838 5.716 1.00 0.00 C ATOM 2376 O ALA B 94 -7.061 -31.799 5.078 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.263 -28.808 4.421 1.00 0.00 C ATOM 0 H ALA B 94 -6.287 -27.852 6.465 1.00 0.00 H new ATOM 0 HA ALA B 94 -8.423 -29.702 5.987 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.677 -29.448 3.642 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.818 -27.870 4.453 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.215 -28.602 4.203 1.00 0.00 H new ATOM 2383 N GLN B 95 -5.533 -30.864 6.389 1.00 0.00 N ATOM 2384 CA GLN B 95 -4.691 -31.980 6.505 1.00 0.00 C ATOM 2385 C GLN B 95 -4.106 -31.931 7.890 1.00 0.00 C ATOM 2386 O GLN B 95 -4.396 -32.838 8.699 1.00 0.00 O ATOM 2387 CB GLN B 95 -3.598 -32.029 5.406 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.678 -30.807 5.292 1.00 0.00 C ATOM 2389 CD GLN B 95 -3.285 -29.605 4.591 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -3.210 -29.483 3.364 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -3.835 -28.688 5.343 1.00 0.00 N ATOM 0 H GLN B 95 -5.187 -30.051 6.899 1.00 0.00 H new ATOM 0 HA GLN B 95 -5.260 -32.898 6.356 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -2.977 -32.907 5.583 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -4.089 -32.175 4.444 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -2.373 -30.507 6.294 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.774 -31.101 4.758 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.882 -28.818 6.354 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -4.217 -27.843 4.919 1.00 0.00 H new