USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=30 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: B 58 LYS NZ :NH3+ 171:sc= 0.898 (180deg=0) USER MOD Set 1.2: B 59 THR OG1 : rot 99:sc= 2.01 USER MOD Set 1.3: B 72 HIS : no HE2:sc= -0.734 K(o=2.2,f=0.22) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 177:sc= -0.254! (180deg=-1.51!) USER MOD Set 2.2: A 87 HIS : no HE2:sc= -2.8! C(o=-3.1!,f=-13!) USER MOD Single : A 42 MET CE :methyl -161:sc= -0.103 (180deg=-0.522) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.00281 (180deg=-0.0911) USER MOD Single : A 51 ASN : amide:sc= 0.387 X(o=0.39,f=-0.017) USER MOD Single : A 53 SER OG : rot 78:sc= 1.14 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.35! C(o=-2.4!,f=-1.9!) USER MOD Single : A 73 SER OG : rot -73:sc= 0.693 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 1.3 (180deg=0.786) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -163:sc= -1.28 (180deg=-2.37) USER MOD Single : A 84 THR OG1 : rot 97:sc= -0.123 USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0483 (180deg=-0.373) USER MOD Single : A 90 ASN :FLIP amide:sc= -1.23 F(o=-1.9!,f=-1.2) USER MOD Single : A 92 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : B 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0755) USER MOD Single : B 51 ASN : amide:sc= 0.958 K(o=0.96,f=-0.12) USER MOD Single : B 53 SER OG : rot 96:sc= 1.28 USER MOD Single : B 55 SER OG : rot 160:sc= -1.18 USER MOD Single : B 56 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.074) USER MOD Single : B 66 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.07) USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : B 69 SER OG : rot 180:sc= 0.0311 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 73 SER OG : rot -34:sc= 0.167 USER MOD Single : B 74 LYS NZ :NH3+ -168:sc= 1.52 (180deg=1.21) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 157:sc= -0.188 (180deg=-0.825) USER MOD Single : B 84 THR OG1 : rot 93:sc= -0.955 USER MOD Single : B 86 LYS NZ :NH3+ 137:sc= 0.579 (180deg=0.0139) USER MOD Single : B 87 HIS : no HD1:sc= -0.974 X(o=-0.97,f=-0.93) USER MOD Single : B 90 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.82) USER MOD Single : B 92 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.5!) USER MOD Single : B 95 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -20.044 3.027 10.634 1.00 0.00 N ATOM 269 CA MET A 42 -20.033 1.680 10.096 1.00 0.00 C ATOM 270 C MET A 42 -18.655 1.314 9.612 1.00 0.00 C ATOM 271 O MET A 42 -18.143 0.235 9.906 1.00 0.00 O ATOM 272 CB MET A 42 -21.041 1.537 8.957 1.00 0.00 C ATOM 273 CG MET A 42 -22.486 1.722 9.383 1.00 0.00 C ATOM 274 SD MET A 42 -23.068 0.437 10.512 1.00 0.00 S ATOM 275 CE MET A 42 -22.984 -1.016 9.454 1.00 0.00 C ATOM 0 HA MET A 42 -20.318 0.998 10.897 1.00 0.00 H new ATOM 0 HB2 MET A 42 -20.805 2.267 8.183 1.00 0.00 H new ATOM 0 HB3 MET A 42 -20.929 0.550 8.508 1.00 0.00 H new ATOM 0 HG2 MET A 42 -22.594 2.694 9.863 1.00 0.00 H new ATOM 0 HG3 MET A 42 -23.120 1.732 8.497 1.00 0.00 H new ATOM 0 HE1 MET A 42 -23.609 -1.806 9.870 1.00 0.00 H new ATOM 0 HE2 MET A 42 -23.339 -0.760 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 42 -21.953 -1.363 9.394 1.00 0.00 H new ATOM 285 N GLU A 43 -18.022 2.230 8.923 1.00 0.00 N ATOM 286 CA GLU A 43 -16.736 1.933 8.377 1.00 0.00 C ATOM 287 C GLU A 43 -15.626 2.075 9.397 1.00 0.00 C ATOM 288 O GLU A 43 -14.527 1.626 9.155 1.00 0.00 O ATOM 289 CB GLU A 43 -16.441 2.716 7.133 1.00 0.00 C ATOM 290 CG GLU A 43 -16.255 4.187 7.321 1.00 0.00 C ATOM 291 CD GLU A 43 -15.956 4.835 6.020 1.00 0.00 C ATOM 292 OE1 GLU A 43 -14.779 4.806 5.575 1.00 0.00 O ATOM 293 OE2 GLU A 43 -16.870 5.350 5.392 1.00 0.00 O ATOM 0 H GLU A 43 -18.373 3.169 8.733 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.774 0.882 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.539 2.310 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.255 2.559 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.155 4.623 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.442 4.372 8.023 1.00 0.00 H new ATOM 300 N LYS A 44 -15.910 2.725 10.515 1.00 0.00 N ATOM 301 CA LYS A 44 -14.948 2.806 11.620 1.00 0.00 C ATOM 302 C LYS A 44 -14.848 1.409 12.208 1.00 0.00 C ATOM 303 O LYS A 44 -13.759 0.906 12.499 1.00 0.00 O ATOM 304 CB LYS A 44 -15.432 3.846 12.687 1.00 0.00 C ATOM 305 CG LYS A 44 -14.444 4.203 13.831 1.00 0.00 C ATOM 306 CD LYS A 44 -14.273 3.097 14.885 1.00 0.00 C ATOM 307 CE LYS A 44 -15.551 2.852 15.695 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.935 4.026 16.513 1.00 0.00 N ATOM 0 H LYS A 44 -16.793 3.205 10.688 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.970 3.144 11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.693 4.767 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.348 3.465 13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.470 4.429 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.791 5.110 14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.978 2.172 14.391 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.464 3.368 15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.366 2.604 15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.405 1.990 16.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.711 3.764 17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.117 4.343 17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.248 4.797 15.889 1.00 0.00 H new ATOM 322 N ARG A 45 -16.007 0.788 12.324 1.00 0.00 N ATOM 323 CA ARG A 45 -16.149 -0.578 12.807 1.00 0.00 C ATOM 324 C ARG A 45 -15.465 -1.531 11.839 1.00 0.00 C ATOM 325 O ARG A 45 -14.706 -2.419 12.241 1.00 0.00 O ATOM 326 CB ARG A 45 -17.633 -0.901 12.933 1.00 0.00 C ATOM 327 CG ARG A 45 -18.329 -0.101 14.016 1.00 0.00 C ATOM 328 CD ARG A 45 -19.829 -0.194 13.908 1.00 0.00 C ATOM 329 NE ARG A 45 -20.502 0.382 15.075 1.00 0.00 N ATOM 330 CZ ARG A 45 -21.810 0.278 15.310 1.00 0.00 C ATOM 331 NH1 ARG A 45 -22.563 -0.457 14.505 1.00 0.00 N ATOM 332 NH2 ARG A 45 -22.361 0.883 16.362 1.00 0.00 N ATOM 0 H ARG A 45 -16.896 1.226 12.081 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.678 -0.688 13.784 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.122 -0.710 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.750 -1.964 13.144 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.012 -0.463 14.994 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.024 0.943 13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -20.160 0.323 13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -20.120 -1.239 13.801 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.934 0.895 15.750 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -22.141 -0.939 13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -23.565 -0.541 14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.781 1.432 16.996 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -23.363 0.797 16.533 1.00 0.00 H new ATOM 346 N ARG A 46 -15.720 -1.316 10.559 1.00 0.00 N ATOM 347 CA ARG A 46 -15.074 -2.063 9.494 1.00 0.00 C ATOM 348 C ARG A 46 -13.563 -1.899 9.572 1.00 0.00 C ATOM 349 O ARG A 46 -12.823 -2.858 9.486 1.00 0.00 O ATOM 350 CB ARG A 46 -15.531 -1.550 8.143 1.00 0.00 C ATOM 351 CG ARG A 46 -14.811 -2.194 6.980 1.00 0.00 C ATOM 352 CD ARG A 46 -15.186 -1.551 5.686 1.00 0.00 C ATOM 353 NE ARG A 46 -14.809 -0.133 5.603 1.00 0.00 N ATOM 354 CZ ARG A 46 -15.144 0.675 4.577 1.00 0.00 C ATOM 355 NH1 ARG A 46 -16.014 0.259 3.664 1.00 0.00 N ATOM 356 NH2 ARG A 46 -14.665 1.918 4.515 1.00 0.00 N ATOM 0 H ARG A 46 -16.384 -0.615 10.229 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.343 -3.113 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -16.602 -1.725 8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.379 -0.471 8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.734 -2.116 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.052 -3.256 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.710 -2.093 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.263 -1.641 5.544 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.261 0.263 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.428 -0.670 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.269 0.869 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.042 2.262 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.922 2.525 3.737 1.00 0.00 H new ATOM 370 N ARG A 47 -13.129 -0.664 9.688 1.00 0.00 N ATOM 371 CA ARG A 47 -11.724 -0.327 9.794 1.00 0.00 C ATOM 372 C ARG A 47 -11.051 -1.030 10.968 1.00 0.00 C ATOM 373 O ARG A 47 -9.912 -1.474 10.850 1.00 0.00 O ATOM 374 CB ARG A 47 -11.498 1.192 9.839 1.00 0.00 C ATOM 375 CG ARG A 47 -10.033 1.599 9.860 1.00 0.00 C ATOM 376 CD ARG A 47 -9.864 3.104 9.814 1.00 0.00 C ATOM 377 NE ARG A 47 -8.451 3.482 9.857 1.00 0.00 N ATOM 378 CZ ARG A 47 -7.972 4.720 9.686 1.00 0.00 C ATOM 379 NH1 ARG A 47 -8.789 5.736 9.420 1.00 0.00 N ATOM 380 NH2 ARG A 47 -6.668 4.936 9.781 1.00 0.00 N ATOM 0 H ARG A 47 -13.748 0.146 9.712 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.247 -0.696 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.978 1.646 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.989 1.596 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.560 1.208 10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.519 1.150 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.320 3.496 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.390 3.557 10.655 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.774 2.739 10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.794 5.576 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.411 6.675 9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.036 4.161 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.296 5.877 9.652 1.00 0.00 H new ATOM 394 N ALA A 48 -11.761 -1.165 12.077 1.00 0.00 N ATOM 395 CA ALA A 48 -11.251 -1.884 13.217 1.00 0.00 C ATOM 396 C ALA A 48 -11.002 -3.326 12.809 1.00 0.00 C ATOM 397 O ALA A 48 -9.935 -3.872 13.061 1.00 0.00 O ATOM 398 CB ALA A 48 -12.222 -1.803 14.381 1.00 0.00 C ATOM 0 H ALA A 48 -12.697 -0.781 12.205 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.314 -1.436 13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.818 -2.352 15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.369 -0.760 14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.177 -2.239 14.089 1.00 0.00 H new ATOM 404 N ARG A 49 -11.964 -3.887 12.070 1.00 0.00 N ATOM 405 CA ARG A 49 -11.874 -5.247 11.544 1.00 0.00 C ATOM 406 C ARG A 49 -10.706 -5.373 10.559 1.00 0.00 C ATOM 407 O ARG A 49 -10.104 -6.435 10.447 1.00 0.00 O ATOM 408 CB ARG A 49 -13.190 -5.677 10.868 1.00 0.00 C ATOM 409 CG ARG A 49 -14.372 -5.783 11.809 1.00 0.00 C ATOM 410 CD ARG A 49 -15.657 -6.172 11.075 1.00 0.00 C ATOM 411 NE ARG A 49 -16.767 -6.345 12.024 1.00 0.00 N ATOM 412 CZ ARG A 49 -18.058 -6.530 11.729 1.00 0.00 C ATOM 413 NH1 ARG A 49 -18.483 -6.507 10.471 1.00 0.00 N ATOM 414 NH2 ARG A 49 -18.923 -6.749 12.715 1.00 0.00 N ATOM 0 H ARG A 49 -12.829 -3.407 11.821 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.694 -5.913 12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.431 -4.962 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.038 -6.642 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.157 -6.523 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.519 -4.829 12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.912 -5.403 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.499 -7.097 10.520 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.526 -6.321 13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.821 -6.346 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.471 -6.650 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.599 -6.774 13.682 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.911 -6.892 12.505 1.00 0.00 H new ATOM 428 N ILE A 50 -10.395 -4.285 9.845 1.00 0.00 N ATOM 429 CA ILE A 50 -9.249 -4.248 8.941 1.00 0.00 C ATOM 430 C ILE A 50 -7.972 -4.473 9.733 1.00 0.00 C ATOM 431 O ILE A 50 -7.201 -5.384 9.436 1.00 0.00 O ATOM 432 CB ILE A 50 -9.158 -2.890 8.192 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.424 -2.668 7.364 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.901 -2.815 7.319 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.500 -1.325 6.690 1.00 0.00 C ATOM 0 H ILE A 50 -10.927 -3.416 9.879 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.378 -5.037 8.200 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.080 -2.092 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.487 -3.446 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.292 -2.785 8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.869 -1.852 6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.016 -2.924 7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.923 -3.616 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.429 -1.254 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.472 -0.538 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.654 -1.209 6.013 1.00 0.00 H new ATOM 447 N ASN A 51 -7.789 -3.674 10.777 1.00 0.00 N ATOM 448 CA ASN A 51 -6.601 -3.779 11.631 1.00 0.00 C ATOM 449 C ASN A 51 -6.555 -5.148 12.273 1.00 0.00 C ATOM 450 O ASN A 51 -5.507 -5.793 12.293 1.00 0.00 O ATOM 451 CB ASN A 51 -6.558 -2.689 12.726 1.00 0.00 C ATOM 452 CG ASN A 51 -6.431 -1.268 12.196 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.325 -0.747 11.997 1.00 0.00 O ATOM 454 ND2 ASN A 51 -7.543 -0.623 11.981 1.00 0.00 N ATOM 0 H ASN A 51 -8.445 -2.945 11.057 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.730 -3.630 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.464 -2.760 13.327 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.718 -2.892 13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.517 0.338 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.439 -1.079 12.154 1.00 0.00 H new ATOM 461 N GLU A 52 -7.718 -5.604 12.755 1.00 0.00 N ATOM 462 CA GLU A 52 -7.856 -6.924 13.369 1.00 0.00 C ATOM 463 C GLU A 52 -7.381 -8.018 12.426 1.00 0.00 C ATOM 464 O GLU A 52 -6.573 -8.877 12.807 1.00 0.00 O ATOM 465 CB GLU A 52 -9.314 -7.235 13.751 1.00 0.00 C ATOM 466 CG GLU A 52 -9.926 -6.357 14.832 1.00 0.00 C ATOM 467 CD GLU A 52 -11.312 -6.827 15.225 1.00 0.00 C ATOM 468 OE1 GLU A 52 -11.604 -8.043 15.101 1.00 0.00 O ATOM 469 OE2 GLU A 52 -12.118 -6.009 15.718 1.00 0.00 O ATOM 0 H GLU A 52 -8.585 -5.068 12.729 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.242 -6.902 14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.928 -7.153 12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.368 -8.273 14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.280 -6.359 15.710 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.979 -5.328 14.477 1.00 0.00 H new ATOM 476 N SER A 53 -7.852 -7.971 11.196 1.00 0.00 N ATOM 477 CA SER A 53 -7.571 -9.001 10.246 1.00 0.00 C ATOM 478 C SER A 53 -6.133 -8.922 9.744 1.00 0.00 C ATOM 479 O SER A 53 -5.455 -9.922 9.704 1.00 0.00 O ATOM 480 CB SER A 53 -8.571 -8.934 9.099 1.00 0.00 C ATOM 481 OG SER A 53 -9.906 -8.975 9.597 1.00 0.00 O ATOM 0 H SER A 53 -8.437 -7.216 10.839 1.00 0.00 H new ATOM 0 HA SER A 53 -7.677 -9.967 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.418 -8.018 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.406 -9.767 8.416 1.00 0.00 H new ATOM 0 HG SER A 53 -10.153 -8.092 9.944 1.00 0.00 H new ATOM 487 N LEU A 54 -5.665 -7.718 9.428 1.00 0.00 N ATOM 488 CA LEU A 54 -4.323 -7.517 8.884 1.00 0.00 C ATOM 489 C LEU A 54 -3.271 -7.930 9.919 1.00 0.00 C ATOM 490 O LEU A 54 -2.282 -8.597 9.587 1.00 0.00 O ATOM 491 CB LEU A 54 -4.144 -6.033 8.499 1.00 0.00 C ATOM 492 CG LEU A 54 -3.233 -5.714 7.294 1.00 0.00 C ATOM 493 CD1 LEU A 54 -3.316 -4.240 6.954 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.779 -6.109 7.537 1.00 0.00 C ATOM 0 H LEU A 54 -6.201 -6.857 9.540 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.194 -8.135 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.131 -5.617 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.750 -5.505 9.368 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.594 -6.309 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.670 -4.026 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.345 -3.982 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.993 -3.650 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.183 -5.862 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.394 -5.566 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.720 -7.181 7.726 1.00 0.00 H new ATOM 506 N SER A 55 -3.516 -7.569 11.167 1.00 0.00 N ATOM 507 CA SER A 55 -2.605 -7.868 12.241 1.00 0.00 C ATOM 508 C SER A 55 -2.459 -9.384 12.404 1.00 0.00 C ATOM 509 O SER A 55 -1.347 -9.911 12.397 1.00 0.00 O ATOM 510 CB SER A 55 -3.087 -7.208 13.551 1.00 0.00 C ATOM 511 OG SER A 55 -2.130 -7.330 14.597 1.00 0.00 O ATOM 0 H SER A 55 -4.352 -7.062 11.456 1.00 0.00 H new ATOM 0 HA SER A 55 -1.624 -7.459 12.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.293 -6.153 13.370 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.025 -7.667 13.863 1.00 0.00 H new ATOM 0 HG SER A 55 -2.474 -6.898 15.407 1.00 0.00 H new ATOM 517 N GLN A 56 -3.577 -10.091 12.476 1.00 0.00 N ATOM 518 CA GLN A 56 -3.529 -11.529 12.680 1.00 0.00 C ATOM 519 C GLN A 56 -3.074 -12.244 11.406 1.00 0.00 C ATOM 520 O GLN A 56 -2.513 -13.322 11.470 1.00 0.00 O ATOM 521 CB GLN A 56 -4.878 -12.063 13.163 1.00 0.00 C ATOM 522 CG GLN A 56 -5.983 -11.981 12.135 1.00 0.00 C ATOM 523 CD GLN A 56 -7.315 -12.352 12.699 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.706 -13.514 12.696 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.030 -11.379 13.174 1.00 0.00 N ATOM 0 H GLN A 56 -4.515 -9.699 12.397 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.796 -11.734 13.460 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.756 -13.103 13.467 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.180 -11.505 14.049 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.030 -10.968 11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.748 -12.641 11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.668 -10.425 13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.954 -11.568 13.563 1.00 0.00 H new ATOM 534 N LEU A 57 -3.296 -11.605 10.268 1.00 0.00 N ATOM 535 CA LEU A 57 -2.910 -12.123 8.963 1.00 0.00 C ATOM 536 C LEU A 57 -1.412 -12.358 8.913 1.00 0.00 C ATOM 537 O LEU A 57 -0.966 -13.492 8.763 1.00 0.00 O ATOM 538 CB LEU A 57 -3.408 -11.131 7.871 1.00 0.00 C ATOM 539 CG LEU A 57 -3.061 -11.389 6.404 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.179 -10.863 5.515 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.794 -10.650 6.046 1.00 0.00 C ATOM 0 H LEU A 57 -3.757 -10.696 10.224 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.375 -13.091 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.494 -11.082 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.025 -10.143 8.128 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.930 -12.461 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.930 -11.048 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.110 -11.373 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.298 -9.792 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.548 -10.835 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.940 -9.581 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.978 -11.000 6.678 1.00 0.00 H new ATOM 553 N LYS A 58 -0.650 -11.303 9.129 1.00 0.00 N ATOM 554 CA LYS A 58 0.808 -11.399 9.138 1.00 0.00 C ATOM 555 C LYS A 58 1.291 -12.327 10.251 1.00 0.00 C ATOM 556 O LYS A 58 2.233 -13.099 10.060 1.00 0.00 O ATOM 557 CB LYS A 58 1.466 -10.014 9.269 1.00 0.00 C ATOM 558 CG LYS A 58 1.069 -9.248 10.511 1.00 0.00 C ATOM 559 CD LYS A 58 1.815 -7.945 10.638 1.00 0.00 C ATOM 560 CE LYS A 58 1.405 -7.226 11.906 1.00 0.00 C ATOM 561 NZ LYS A 58 2.195 -5.998 12.124 1.00 0.00 N ATOM 0 H LYS A 58 -1.012 -10.365 9.302 1.00 0.00 H new ATOM 0 HA LYS A 58 1.109 -11.824 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.549 -10.138 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.209 -9.419 8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.003 -9.050 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.260 -9.862 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.889 -8.132 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.610 -7.315 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.346 -6.972 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.530 -7.894 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.883 -5.536 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.203 -6.243 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.056 -5.349 11.323 1.00 0.00 H new ATOM 575 N THR A 59 0.597 -12.279 11.384 1.00 0.00 N ATOM 576 CA THR A 59 0.937 -13.072 12.536 1.00 0.00 C ATOM 577 C THR A 59 0.831 -14.575 12.227 1.00 0.00 C ATOM 578 O THR A 59 1.810 -15.309 12.363 1.00 0.00 O ATOM 579 CB THR A 59 0.039 -12.698 13.737 1.00 0.00 C ATOM 580 OG1 THR A 59 0.179 -11.291 14.006 1.00 0.00 O ATOM 581 CG2 THR A 59 0.450 -13.455 14.980 1.00 0.00 C ATOM 0 H THR A 59 -0.219 -11.682 11.518 1.00 0.00 H new ATOM 0 HA THR A 59 1.973 -12.857 12.798 1.00 0.00 H new ATOM 0 HB THR A 59 -0.991 -12.953 13.486 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.384 -10.782 13.386 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.199 -13.172 15.809 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.362 -14.526 14.799 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.483 -13.213 15.229 1.00 0.00 H new ATOM 589 N LEU A 60 -0.321 -15.015 11.746 1.00 0.00 N ATOM 590 CA LEU A 60 -0.521 -16.422 11.466 1.00 0.00 C ATOM 591 C LEU A 60 0.276 -16.878 10.272 1.00 0.00 C ATOM 592 O LEU A 60 0.717 -17.992 10.234 1.00 0.00 O ATOM 593 CB LEU A 60 -2.005 -16.822 11.360 1.00 0.00 C ATOM 594 CG LEU A 60 -2.776 -17.027 12.690 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.108 -18.087 13.553 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.948 -15.732 13.472 1.00 0.00 C ATOM 0 H LEU A 60 -1.125 -14.420 11.544 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.136 -16.954 12.336 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.522 -16.055 10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.066 -17.747 10.787 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.773 -17.374 12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.670 -18.210 14.479 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.086 -19.034 13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.089 -17.778 13.785 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.494 -15.933 14.394 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.968 -15.320 13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.505 -15.014 12.870 1.00 0.00 H new ATOM 608 N ILE A 61 0.483 -16.005 9.323 1.00 0.00 N ATOM 609 CA ILE A 61 1.332 -16.304 8.180 1.00 0.00 C ATOM 610 C ILE A 61 2.783 -16.563 8.643 1.00 0.00 C ATOM 611 O ILE A 61 3.476 -17.549 8.209 1.00 0.00 O ATOM 612 CB ILE A 61 1.248 -15.133 7.148 1.00 0.00 C ATOM 613 CG1 ILE A 61 -0.062 -15.213 6.367 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.435 -15.057 6.214 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.206 -16.474 5.529 1.00 0.00 C ATOM 0 H ILE A 61 0.075 -15.070 9.311 1.00 0.00 H new ATOM 0 HA ILE A 61 0.983 -17.213 7.689 1.00 0.00 H new ATOM 0 HB ILE A 61 1.272 -14.208 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.895 -15.158 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.137 -14.344 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.305 -14.220 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.346 -14.912 6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.511 -15.984 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.162 -16.456 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.605 -16.523 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.165 -17.349 6.178 1.00 0.00 H new ATOM 627 N LEU A 62 3.237 -15.735 9.548 1.00 0.00 N ATOM 628 CA LEU A 62 4.564 -15.849 10.059 1.00 0.00 C ATOM 629 C LEU A 62 4.654 -17.081 10.956 1.00 0.00 C ATOM 630 O LEU A 62 5.601 -17.803 10.876 1.00 0.00 O ATOM 631 CB LEU A 62 4.964 -14.558 10.805 1.00 0.00 C ATOM 632 CG LEU A 62 6.474 -14.226 10.929 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.239 -15.221 11.782 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.111 -14.095 9.549 1.00 0.00 C ATOM 0 H LEU A 62 2.694 -14.968 9.945 1.00 0.00 H new ATOM 0 HA LEU A 62 5.270 -15.975 9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.478 -13.720 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.550 -14.613 11.812 1.00 0.00 H new ATOM 0 HG LEU A 62 6.537 -13.268 11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.289 -14.930 11.827 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.822 -15.233 12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.157 -16.215 11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.170 -13.862 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.000 -15.034 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.619 -13.295 8.995 1.00 0.00 H new ATOM 646 N ASP A 63 3.620 -17.342 11.716 1.00 0.00 N ATOM 647 CA ASP A 63 3.605 -18.453 12.692 1.00 0.00 C ATOM 648 C ASP A 63 3.368 -19.789 12.031 1.00 0.00 C ATOM 649 O ASP A 63 3.714 -20.822 12.566 1.00 0.00 O ATOM 650 CB ASP A 63 2.510 -18.225 13.672 1.00 0.00 C ATOM 651 CG ASP A 63 2.722 -18.960 14.988 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.548 -18.497 15.809 1.00 0.00 O ATOM 653 OD2 ASP A 63 2.066 -20.000 15.234 1.00 0.00 O ATOM 0 H ASP A 63 2.755 -16.802 11.691 1.00 0.00 H new ATOM 0 HA ASP A 63 4.581 -18.474 13.177 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.424 -17.156 13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.565 -18.545 13.233 1.00 0.00 H new ATOM 658 N ALA A 64 2.732 -19.768 10.900 1.00 0.00 N ATOM 659 CA ALA A 64 2.451 -20.967 10.173 1.00 0.00 C ATOM 660 C ALA A 64 3.707 -21.502 9.583 1.00 0.00 C ATOM 661 O ALA A 64 3.967 -22.697 9.648 1.00 0.00 O ATOM 662 CB ALA A 64 1.413 -20.717 9.100 1.00 0.00 C ATOM 0 H ALA A 64 2.392 -18.916 10.454 1.00 0.00 H new ATOM 0 HA ALA A 64 2.042 -21.708 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.216 -21.644 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.491 -20.363 9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.783 -19.964 8.404 1.00 0.00 H new ATOM 668 N LEU A 65 4.527 -20.630 9.033 1.00 0.00 N ATOM 669 CA LEU A 65 5.734 -21.133 8.418 1.00 0.00 C ATOM 670 C LEU A 65 6.957 -20.937 9.266 1.00 0.00 C ATOM 671 O LEU A 65 7.885 -21.732 9.189 1.00 0.00 O ATOM 672 CB LEU A 65 5.952 -20.591 7.019 1.00 0.00 C ATOM 673 CG LEU A 65 5.022 -21.110 5.925 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.609 -20.561 6.062 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.609 -20.829 4.554 1.00 0.00 C ATOM 0 H LEU A 65 4.391 -19.620 8.999 1.00 0.00 H new ATOM 0 HA LEU A 65 5.576 -22.208 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.858 -19.506 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.978 -20.812 6.725 1.00 0.00 H new ATOM 0 HG LEU A 65 4.940 -22.190 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.985 -20.959 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.195 -20.857 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.633 -19.473 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.934 -21.205 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.740 -19.754 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.575 -21.325 4.463 1.00 0.00 H new ATOM 687 N LYS A 66 6.944 -19.896 10.093 1.00 0.00 N ATOM 688 CA LYS A 66 8.075 -19.528 10.949 1.00 0.00 C ATOM 689 C LYS A 66 9.315 -19.349 10.133 1.00 0.00 C ATOM 690 O LYS A 66 10.255 -20.144 10.166 1.00 0.00 O ATOM 691 CB LYS A 66 8.200 -20.487 12.134 1.00 0.00 C ATOM 692 CG LYS A 66 7.047 -20.300 13.127 1.00 0.00 C ATOM 693 CD LYS A 66 6.689 -21.569 13.888 1.00 0.00 C ATOM 694 CE LYS A 66 6.048 -22.598 12.961 1.00 0.00 C ATOM 695 NZ LYS A 66 5.466 -23.735 13.701 1.00 0.00 N ATOM 0 H LYS A 66 6.141 -19.275 10.191 1.00 0.00 H new ATOM 0 HA LYS A 66 7.896 -18.554 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.208 -21.515 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.150 -20.320 12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.316 -19.521 13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.167 -19.949 12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.586 -21.991 14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.004 -21.329 14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.269 -22.116 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.797 -22.968 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.043 -24.407 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.212 -24.213 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.732 -23.387 14.351 1.00 0.00 H new ATOM 709 N LYS A 67 9.238 -18.329 9.306 1.00 0.00 N ATOM 710 CA LYS A 67 10.296 -17.999 8.408 1.00 0.00 C ATOM 711 C LYS A 67 11.364 -17.248 9.134 1.00 0.00 C ATOM 712 O LYS A 67 12.425 -17.793 9.418 1.00 0.00 O ATOM 713 CB LYS A 67 9.801 -17.169 7.204 1.00 0.00 C ATOM 714 CG LYS A 67 8.745 -17.859 6.334 1.00 0.00 C ATOM 715 CD LYS A 67 7.319 -17.523 6.709 1.00 0.00 C ATOM 716 CE LYS A 67 6.966 -16.093 6.398 1.00 0.00 C ATOM 717 NZ LYS A 67 5.520 -15.861 6.556 1.00 0.00 N ATOM 0 H LYS A 67 8.430 -17.709 9.246 1.00 0.00 H new ATOM 0 HA LYS A 67 10.698 -18.935 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.389 -16.230 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.657 -16.917 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.910 -17.582 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.882 -18.938 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.640 -18.187 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.173 -17.707 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.520 -15.426 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.267 -15.854 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.309 -14.857 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.998 -16.445 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.231 -16.117 7.522 1.00 0.00 H new ATOM 731 N ASP A 68 11.070 -16.000 9.465 1.00 0.00 N ATOM 732 CA ASP A 68 12.041 -15.148 10.120 1.00 0.00 C ATOM 733 C ASP A 68 11.327 -14.107 10.925 1.00 0.00 C ATOM 734 O ASP A 68 10.238 -13.668 10.544 1.00 0.00 O ATOM 735 CB ASP A 68 12.893 -14.354 9.123 1.00 0.00 C ATOM 736 CG ASP A 68 13.616 -15.135 8.073 1.00 0.00 C ATOM 737 OD1 ASP A 68 13.023 -15.368 6.995 1.00 0.00 O ATOM 738 OD2 ASP A 68 14.795 -15.473 8.271 1.00 0.00 O ATOM 0 H ASP A 68 10.167 -15.558 9.290 1.00 0.00 H new ATOM 0 HA ASP A 68 12.667 -15.810 10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.246 -13.633 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.630 -13.783 9.687 1.00 0.00 H new ATOM 743 N SER A 69 11.955 -13.674 11.974 1.00 0.00 N ATOM 744 CA SER A 69 11.464 -12.600 12.792 1.00 0.00 C ATOM 745 C SER A 69 11.953 -11.255 12.199 1.00 0.00 C ATOM 746 O SER A 69 11.271 -10.221 12.299 1.00 0.00 O ATOM 747 CB SER A 69 11.976 -12.792 14.234 1.00 0.00 C ATOM 748 OG SER A 69 11.523 -11.769 15.115 1.00 0.00 O ATOM 0 H SER A 69 12.842 -14.063 12.295 1.00 0.00 H new ATOM 0 HA SER A 69 10.374 -12.596 12.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.645 -13.761 14.607 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.066 -12.807 14.230 1.00 0.00 H new ATOM 0 HG SER A 69 11.872 -11.935 16.016 1.00 0.00 H new ATOM 754 N SER A 70 13.113 -11.303 11.545 1.00 0.00 N ATOM 755 CA SER A 70 13.748 -10.135 10.945 1.00 0.00 C ATOM 756 C SER A 70 12.855 -9.519 9.852 1.00 0.00 C ATOM 757 O SER A 70 12.545 -8.325 9.892 1.00 0.00 O ATOM 758 CB SER A 70 15.131 -10.531 10.385 1.00 0.00 C ATOM 759 OG SER A 70 15.816 -9.428 9.826 1.00 0.00 O ATOM 0 H SER A 70 13.643 -12.165 11.417 1.00 0.00 H new ATOM 0 HA SER A 70 13.886 -9.373 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.734 -10.964 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.006 -11.302 9.625 1.00 0.00 H new ATOM 0 HG SER A 70 16.687 -9.722 9.485 1.00 0.00 H new ATOM 765 N ARG A 71 12.424 -10.339 8.895 1.00 0.00 N ATOM 766 CA ARG A 71 11.529 -9.863 7.839 1.00 0.00 C ATOM 767 C ARG A 71 10.167 -9.510 8.390 1.00 0.00 C ATOM 768 O ARG A 71 9.548 -8.599 7.910 1.00 0.00 O ATOM 769 CB ARG A 71 11.402 -10.853 6.674 1.00 0.00 C ATOM 770 CG ARG A 71 11.195 -12.270 7.110 1.00 0.00 C ATOM 771 CD ARG A 71 10.193 -13.009 6.268 1.00 0.00 C ATOM 772 NE ARG A 71 10.520 -13.043 4.836 1.00 0.00 N ATOM 773 CZ ARG A 71 10.914 -14.137 4.150 1.00 0.00 C ATOM 774 NH1 ARG A 71 11.476 -15.179 4.782 1.00 0.00 N ATOM 775 NH2 ARG A 71 10.868 -14.130 2.828 1.00 0.00 N ATOM 0 H ARG A 71 12.676 -11.325 8.828 1.00 0.00 H new ATOM 0 HA ARG A 71 11.986 -8.959 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.567 -10.551 6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.302 -10.798 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.148 -12.797 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.864 -12.279 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.110 -14.032 6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.215 -12.545 6.395 1.00 0.00 H new ATOM 0 HE ARG A 71 10.443 -12.168 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.610 -15.151 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.769 -15.999 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.536 -13.302 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.164 -14.953 2.303 1.00 0.00 H new ATOM 789 N HIS A 72 9.736 -10.228 9.427 1.00 0.00 N ATOM 790 CA HIS A 72 8.438 -9.993 10.082 1.00 0.00 C ATOM 791 C HIS A 72 8.340 -8.559 10.612 1.00 0.00 C ATOM 792 O HIS A 72 7.366 -7.855 10.361 1.00 0.00 O ATOM 793 CB HIS A 72 8.234 -11.010 11.227 1.00 0.00 C ATOM 794 CG HIS A 72 6.906 -10.937 11.954 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.770 -11.118 13.310 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.643 -10.773 11.477 1.00 0.00 C ATOM 797 CE1 HIS A 72 5.477 -11.070 13.616 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.741 -10.859 12.537 1.00 0.00 N ATOM 0 H HIS A 72 10.273 -10.990 9.841 1.00 0.00 H new ATOM 0 HA HIS A 72 7.649 -10.129 9.342 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.347 -12.014 10.818 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.032 -10.871 11.956 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.381 -10.603 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.080 -11.188 14.613 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.725 -10.776 12.490 1.00 0.00 H new ATOM 806 N SER A 73 9.374 -8.115 11.278 1.00 0.00 N ATOM 807 CA SER A 73 9.371 -6.799 11.869 1.00 0.00 C ATOM 808 C SER A 73 9.807 -5.713 10.877 1.00 0.00 C ATOM 809 O SER A 73 9.895 -4.532 11.215 1.00 0.00 O ATOM 810 CB SER A 73 10.207 -6.807 13.141 1.00 0.00 C ATOM 811 OG SER A 73 11.456 -7.461 12.924 1.00 0.00 O ATOM 0 H SER A 73 10.232 -8.646 11.426 1.00 0.00 H new ATOM 0 HA SER A 73 8.347 -6.542 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.381 -5.784 13.474 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.661 -7.313 13.937 1.00 0.00 H new ATOM 0 HG SER A 73 11.312 -8.428 12.859 1.00 0.00 H new ATOM 817 N LYS A 74 10.027 -6.115 9.650 1.00 0.00 N ATOM 818 CA LYS A 74 10.398 -5.196 8.597 1.00 0.00 C ATOM 819 C LYS A 74 9.429 -5.390 7.431 1.00 0.00 C ATOM 820 O LYS A 74 9.659 -4.954 6.297 1.00 0.00 O ATOM 821 CB LYS A 74 11.876 -5.412 8.173 1.00 0.00 C ATOM 822 CG LYS A 74 12.471 -4.422 7.120 1.00 0.00 C ATOM 823 CD LYS A 74 12.426 -2.941 7.559 1.00 0.00 C ATOM 824 CE LYS A 74 11.061 -2.281 7.300 1.00 0.00 C ATOM 825 NZ LYS A 74 10.765 -2.158 5.856 1.00 0.00 N ATOM 0 H LYS A 74 9.955 -7.087 9.351 1.00 0.00 H new ATOM 0 HA LYS A 74 10.328 -4.167 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.495 -5.363 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.969 -6.423 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.505 -4.700 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.923 -4.530 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.660 -2.875 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.199 -2.386 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.278 -2.868 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.045 -1.292 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.954 -1.520 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.595 -1.772 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.537 -3.095 5.467 1.00 0.00 H new ATOM 839 N LEU A 75 8.324 -6.006 7.744 1.00 0.00 N ATOM 840 CA LEU A 75 7.309 -6.297 6.776 1.00 0.00 C ATOM 841 C LEU A 75 6.574 -5.066 6.329 1.00 0.00 C ATOM 842 O LEU A 75 5.905 -4.400 7.116 1.00 0.00 O ATOM 843 CB LEU A 75 6.332 -7.360 7.278 1.00 0.00 C ATOM 844 CG LEU A 75 6.717 -8.823 7.055 1.00 0.00 C ATOM 845 CD1 LEU A 75 5.726 -9.756 7.733 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.764 -9.128 5.569 1.00 0.00 C ATOM 0 H LEU A 75 8.102 -6.323 8.688 1.00 0.00 H new ATOM 0 HA LEU A 75 7.826 -6.700 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.187 -7.208 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.369 -7.187 6.798 1.00 0.00 H new ATOM 0 HG LEU A 75 7.702 -8.984 7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.023 -10.790 7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.714 -9.557 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.730 -9.590 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.039 -10.172 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.784 -8.945 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.503 -8.486 5.089 1.00 0.00 H new ATOM 858 N GLU A 76 6.739 -4.764 5.077 1.00 0.00 N ATOM 859 CA GLU A 76 6.023 -3.698 4.431 1.00 0.00 C ATOM 860 C GLU A 76 4.633 -4.216 4.139 1.00 0.00 C ATOM 861 O GLU A 76 4.471 -5.407 3.906 1.00 0.00 O ATOM 862 CB GLU A 76 6.729 -3.333 3.127 1.00 0.00 C ATOM 863 CG GLU A 76 8.145 -2.826 3.322 1.00 0.00 C ATOM 864 CD GLU A 76 8.197 -1.470 3.974 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.117 -0.464 3.268 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.333 -1.392 5.203 1.00 0.00 O ATOM 0 H GLU A 76 7.386 -5.258 4.462 1.00 0.00 H new ATOM 0 HA GLU A 76 5.980 -2.809 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.752 -4.209 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.147 -2.570 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.700 -3.539 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.645 -2.778 2.355 1.00 0.00 H new ATOM 873 N LYS A 77 3.655 -3.347 4.133 1.00 0.00 N ATOM 874 CA LYS A 77 2.256 -3.722 3.933 1.00 0.00 C ATOM 875 C LYS A 77 2.033 -4.617 2.716 1.00 0.00 C ATOM 876 O LYS A 77 1.391 -5.657 2.812 1.00 0.00 O ATOM 877 CB LYS A 77 1.407 -2.475 3.865 1.00 0.00 C ATOM 878 CG LYS A 77 -0.063 -2.741 3.629 1.00 0.00 C ATOM 879 CD LYS A 77 -0.914 -1.624 4.196 1.00 0.00 C ATOM 880 CE LYS A 77 -0.849 -1.610 5.719 1.00 0.00 C ATOM 881 NZ LYS A 77 -1.511 -0.430 6.299 1.00 0.00 N ATOM 0 H LYS A 77 3.796 -2.346 4.267 1.00 0.00 H new ATOM 0 HA LYS A 77 1.954 -4.325 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.520 -1.920 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.782 -1.836 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.251 -2.840 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.344 -3.687 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.572 -0.666 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.948 -1.749 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.318 -2.514 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.194 -1.630 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.440 -0.467 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.049 0.434 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.513 -0.422 6.021 1.00 0.00 H new ATOM 895 N ALA A 78 2.607 -4.235 1.610 1.00 0.00 N ATOM 896 CA ALA A 78 2.495 -4.988 0.369 1.00 0.00 C ATOM 897 C ALA A 78 3.179 -6.351 0.484 1.00 0.00 C ATOM 898 O ALA A 78 2.719 -7.344 -0.072 1.00 0.00 O ATOM 899 CB ALA A 78 3.122 -4.195 -0.746 1.00 0.00 C ATOM 0 H ALA A 78 3.172 -3.389 1.532 1.00 0.00 H new ATOM 0 HA ALA A 78 1.439 -5.160 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.042 -4.753 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.606 -3.240 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.173 -4.017 -0.519 1.00 0.00 H new ATOM 905 N ASP A 79 4.223 -6.388 1.286 1.00 0.00 N ATOM 906 CA ASP A 79 5.057 -7.593 1.456 1.00 0.00 C ATOM 907 C ASP A 79 4.289 -8.608 2.267 1.00 0.00 C ATOM 908 O ASP A 79 4.339 -9.801 2.025 1.00 0.00 O ATOM 909 CB ASP A 79 6.373 -7.219 2.160 1.00 0.00 C ATOM 910 CG ASP A 79 7.458 -8.286 2.032 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.534 -8.951 0.974 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.320 -8.400 2.939 1.00 0.00 O ATOM 0 H ASP A 79 4.530 -5.592 1.845 1.00 0.00 H new ATOM 0 HA ASP A 79 5.299 -8.021 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.745 -6.283 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.173 -7.041 3.217 1.00 0.00 H new ATOM 917 N ILE A 80 3.531 -8.088 3.194 1.00 0.00 N ATOM 918 CA ILE A 80 2.665 -8.860 4.055 1.00 0.00 C ATOM 919 C ILE A 80 1.535 -9.488 3.251 1.00 0.00 C ATOM 920 O ILE A 80 1.289 -10.698 3.348 1.00 0.00 O ATOM 921 CB ILE A 80 2.087 -7.935 5.146 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.219 -7.408 5.988 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.076 -8.664 6.006 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.885 -6.209 6.822 1.00 0.00 C ATOM 0 H ILE A 80 3.495 -7.086 3.380 1.00 0.00 H new ATOM 0 HA ILE A 80 3.240 -9.662 4.518 1.00 0.00 H new ATOM 0 HB ILE A 80 1.566 -7.105 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.563 -8.205 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.052 -7.155 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.687 -7.985 6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.256 -9.018 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.556 -9.514 6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.764 -5.906 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.572 -5.391 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.076 -6.457 7.509 1.00 0.00 H new ATOM 936 N LEU A 81 0.873 -8.673 2.445 1.00 0.00 N ATOM 937 CA LEU A 81 -0.247 -9.136 1.639 1.00 0.00 C ATOM 938 C LEU A 81 0.213 -10.239 0.698 1.00 0.00 C ATOM 939 O LEU A 81 -0.360 -11.330 0.681 1.00 0.00 O ATOM 940 CB LEU A 81 -0.856 -7.990 0.829 1.00 0.00 C ATOM 941 CG LEU A 81 -1.272 -6.735 1.604 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.918 -5.744 0.669 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.207 -7.061 2.767 1.00 0.00 C ATOM 0 H LEU A 81 1.093 -7.683 2.331 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.011 -9.524 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.136 -7.694 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.733 -8.373 0.307 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.371 -6.295 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.211 -4.855 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.210 -5.466 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.801 -6.194 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.475 -6.141 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.109 -7.539 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.704 -7.736 3.460 1.00 0.00 H new ATOM 955 N GLU A 82 1.290 -9.968 -0.026 1.00 0.00 N ATOM 956 CA GLU A 82 1.869 -10.912 -0.964 1.00 0.00 C ATOM 957 C GLU A 82 2.302 -12.203 -0.290 1.00 0.00 C ATOM 958 O GLU A 82 2.107 -13.272 -0.844 1.00 0.00 O ATOM 959 CB GLU A 82 3.034 -10.263 -1.720 1.00 0.00 C ATOM 960 CG GLU A 82 3.954 -11.203 -2.426 1.00 0.00 C ATOM 961 CD GLU A 82 5.090 -10.491 -3.093 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.932 -10.050 -4.239 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.178 -10.387 -2.492 1.00 0.00 O ATOM 0 H GLU A 82 1.788 -9.079 0.023 1.00 0.00 H new ATOM 0 HA GLU A 82 1.093 -11.181 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.625 -9.567 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.619 -9.675 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.350 -11.926 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.393 -11.766 -3.172 1.00 0.00 H new ATOM 970 N MET A 83 2.817 -12.112 0.922 1.00 0.00 N ATOM 971 CA MET A 83 3.331 -13.271 1.621 1.00 0.00 C ATOM 972 C MET A 83 2.195 -14.220 1.906 1.00 0.00 C ATOM 973 O MET A 83 2.308 -15.408 1.705 1.00 0.00 O ATOM 974 CB MET A 83 4.033 -12.848 2.909 1.00 0.00 C ATOM 975 CG MET A 83 4.821 -13.961 3.594 1.00 0.00 C ATOM 976 SD MET A 83 5.833 -13.346 4.953 1.00 0.00 S ATOM 977 CE MET A 83 7.006 -12.342 4.031 1.00 0.00 C ATOM 0 H MET A 83 2.890 -11.239 1.445 1.00 0.00 H new ATOM 0 HA MET A 83 4.067 -13.779 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.711 -12.025 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.287 -12.466 3.606 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.129 -14.714 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.461 -14.454 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.874 -12.131 4.655 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.323 -12.881 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.532 -11.405 3.740 1.00 0.00 H new ATOM 987 N THR A 84 1.088 -13.646 2.263 1.00 0.00 N ATOM 988 CA THR A 84 -0.123 -14.355 2.578 1.00 0.00 C ATOM 989 C THR A 84 -0.692 -15.043 1.312 1.00 0.00 C ATOM 990 O THR A 84 -1.101 -16.210 1.350 1.00 0.00 O ATOM 991 CB THR A 84 -1.108 -13.332 3.165 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.404 -12.611 4.177 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.315 -13.992 3.813 1.00 0.00 C ATOM 0 H THR A 84 0.995 -12.634 2.347 1.00 0.00 H new ATOM 0 HA THR A 84 0.061 -15.147 3.303 1.00 0.00 H new ATOM 0 HB THR A 84 -1.472 -12.695 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.065 -11.771 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.979 -13.225 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.849 -14.584 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.983 -14.641 4.623 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.648 -14.334 0.187 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.128 -14.867 -1.089 1.00 0.00 C ATOM 1003 C VAL A 85 -0.221 -16.005 -1.552 1.00 0.00 C ATOM 1004 O VAL A 85 -0.678 -17.101 -1.888 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.137 -13.780 -2.188 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.705 -14.301 -3.503 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.886 -12.563 -1.745 1.00 0.00 C ATOM 0 H VAL A 85 -0.283 -13.383 0.131 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.145 -15.225 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.097 -13.502 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.692 -13.504 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.099 -15.136 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.731 -14.637 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.873 -11.818 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.917 -12.833 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.414 -12.150 -0.854 1.00 0.00 H new ATOM 1017 N LYS A 86 1.070 -15.746 -1.540 1.00 0.00 N ATOM 1018 CA LYS A 86 2.042 -16.710 -1.986 1.00 0.00 C ATOM 1019 C LYS A 86 1.999 -17.978 -1.126 1.00 0.00 C ATOM 1020 O LYS A 86 2.076 -19.094 -1.642 1.00 0.00 O ATOM 1021 CB LYS A 86 3.449 -16.112 -2.018 1.00 0.00 C ATOM 1022 CG LYS A 86 3.619 -14.905 -2.953 1.00 0.00 C ATOM 1023 CD LYS A 86 5.094 -14.635 -3.187 1.00 0.00 C ATOM 1024 CE LYS A 86 5.353 -13.691 -4.358 1.00 0.00 C ATOM 1025 NZ LYS A 86 4.825 -14.202 -5.632 1.00 0.00 N ATOM 0 H LYS A 86 1.469 -14.863 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 86 1.781 -16.990 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.723 -15.811 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.151 -16.889 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.121 -15.097 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.145 -14.026 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.527 -14.209 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.605 -15.580 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.900 -12.723 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.426 -13.526 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.277 -13.699 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.027 -15.219 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.797 -14.050 -5.668 1.00 0.00 H new ATOM 1039 N HIS A 87 1.804 -17.793 0.170 1.00 0.00 N ATOM 1040 CA HIS A 87 1.707 -18.902 1.107 1.00 0.00 C ATOM 1041 C HIS A 87 0.482 -19.751 0.874 1.00 0.00 C ATOM 1042 O HIS A 87 0.525 -20.981 1.080 1.00 0.00 O ATOM 1043 CB HIS A 87 1.760 -18.430 2.556 1.00 0.00 C ATOM 1044 CG HIS A 87 3.123 -18.015 3.019 1.00 0.00 C ATOM 1045 ND1 HIS A 87 4.225 -17.885 2.199 1.00 0.00 N ATOM 1046 CD2 HIS A 87 3.548 -17.702 4.254 1.00 0.00 C ATOM 1047 CE1 HIS A 87 5.252 -17.508 2.941 1.00 0.00 C ATOM 1048 NE2 HIS A 87 4.897 -17.377 4.214 1.00 0.00 N ATOM 0 H HIS A 87 1.709 -16.874 0.601 1.00 0.00 H new ATOM 0 HA HIS A 87 2.580 -19.527 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.076 -17.590 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.398 -19.231 3.200 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.244 -18.051 1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.934 -17.703 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.248 -17.330 2.562 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.610 -19.135 0.426 1.00 0.00 N ATOM 1057 CA LEU A 88 -1.801 -19.900 0.174 1.00 0.00 C ATOM 1058 C LEU A 88 -1.562 -20.839 -0.993 1.00 0.00 C ATOM 1059 O LEU A 88 -1.939 -21.992 -0.923 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.097 -19.026 0.024 1.00 0.00 C ATOM 1061 CG LEU A 88 -3.334 -18.229 -1.277 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -3.943 -19.099 -2.380 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.203 -17.018 -1.012 1.00 0.00 C ATOM 0 H LEU A 88 -0.683 -18.135 0.238 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.007 -20.502 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.953 -19.686 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.107 -18.314 0.849 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.360 -17.890 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.093 -18.498 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.269 -19.925 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.902 -19.494 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.358 -16.471 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.166 -17.341 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.712 -16.369 -0.287 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.852 -20.371 -2.048 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.573 -21.271 -3.176 1.00 0.00 C ATOM 1077 C ARG A 89 0.344 -22.383 -2.781 1.00 0.00 C ATOM 1078 O ARG A 89 0.190 -23.488 -3.268 1.00 0.00 O ATOM 1079 CB ARG A 89 -0.049 -20.619 -4.462 1.00 0.00 C ATOM 1080 CG ARG A 89 -1.045 -19.761 -5.212 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.019 -18.348 -4.726 1.00 0.00 C ATOM 1082 NE ARG A 89 0.303 -17.759 -4.953 1.00 0.00 N ATOM 1083 CZ ARG A 89 0.569 -16.751 -5.785 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -0.389 -16.204 -6.522 1.00 0.00 N ATOM 1085 NH2 ARG A 89 1.803 -16.335 -5.915 1.00 0.00 N ATOM 0 H ARG A 89 -0.482 -19.425 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.564 -21.651 -3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.816 -20.005 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.302 -21.406 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.819 -19.785 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.047 -20.172 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.779 -17.764 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.262 -18.317 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 89 1.086 -18.153 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.345 -16.554 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.170 -15.434 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.550 -16.781 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.018 -15.565 -6.549 1.00 0.00 H new ATOM 1099 N ASN A 90 1.287 -22.102 -1.875 1.00 0.00 N ATOM 1100 CA ASN A 90 2.206 -23.130 -1.384 1.00 0.00 C ATOM 1101 C ASN A 90 1.410 -24.272 -0.840 1.00 0.00 C ATOM 1102 O ASN A 90 1.593 -25.414 -1.231 1.00 0.00 O ATOM 1103 CB ASN A 90 3.128 -22.625 -0.269 1.00 0.00 C ATOM 1104 CG ASN A 90 4.039 -21.472 -0.634 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.419 -20.687 0.353 1.00 0.00 O flip ATOM 1106 ND2 ASN A 90 4.420 -21.300 -1.784 1.00 0.00 N flip ATOM 0 H ASN A 90 1.432 -21.177 -1.470 1.00 0.00 H new ATOM 0 HA ASN A 90 2.829 -23.429 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.511 -22.321 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.745 -23.457 0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.106 -21.927 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.052 -20.529 -2.002 1.00 0.00 H new ATOM 1113 N LEU A 91 0.484 -23.937 0.017 1.00 0.00 N ATOM 1114 CA LEU A 91 -0.396 -24.896 0.610 1.00 0.00 C ATOM 1115 C LEU A 91 -1.255 -25.567 -0.467 1.00 0.00 C ATOM 1116 O LEU A 91 -1.301 -26.783 -0.551 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.255 -24.209 1.664 1.00 0.00 C ATOM 1118 CG LEU A 91 -0.514 -23.686 2.904 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.401 -22.756 3.702 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.080 -24.843 3.787 1.00 0.00 C ATOM 0 H LEU A 91 0.321 -22.978 0.324 1.00 0.00 H new ATOM 0 HA LEU A 91 0.187 -25.678 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.771 -23.372 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.021 -24.911 1.993 1.00 0.00 H new ATOM 0 HG LEU A 91 0.365 -23.138 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.858 -22.396 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.691 -21.908 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.293 -23.292 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.444 -24.457 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.957 -25.405 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.586 -25.499 3.226 1.00 0.00 H new ATOM 1132 N GLN A 92 -1.793 -24.764 -1.368 1.00 0.00 N ATOM 1133 CA GLN A 92 -2.725 -25.234 -2.423 1.00 0.00 C ATOM 1134 C GLN A 92 -2.093 -26.260 -3.366 1.00 0.00 C ATOM 1135 O GLN A 92 -2.797 -27.032 -4.014 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.264 -24.047 -3.248 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.257 -23.150 -2.522 1.00 0.00 C ATOM 1138 CD GLN A 92 -5.675 -23.300 -3.029 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.097 -22.591 -3.951 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -6.413 -24.198 -2.452 1.00 0.00 N ATOM 0 H GLN A 92 -1.606 -23.762 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.545 -25.727 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.420 -23.439 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.741 -24.437 -4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.233 -23.379 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.946 -22.111 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.029 -24.764 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.377 -24.338 -2.756 1.00 0.00 H new ATOM 1149 N ARG A 93 -0.781 -26.290 -3.436 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.129 -27.184 -4.373 1.00 0.00 C ATOM 1151 C ARG A 93 0.690 -28.252 -3.670 1.00 0.00 C ATOM 1152 O ARG A 93 1.178 -29.184 -4.297 1.00 0.00 O ATOM 1153 CB ARG A 93 0.704 -26.385 -5.417 1.00 0.00 C ATOM 1154 CG ARG A 93 1.824 -25.497 -4.848 1.00 0.00 C ATOM 1155 CD ARG A 93 3.083 -26.277 -4.507 1.00 0.00 C ATOM 1156 NE ARG A 93 3.736 -26.778 -5.724 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.310 -27.986 -5.874 1.00 0.00 C ATOM 1158 NH1 ARG A 93 4.275 -28.878 -4.893 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.909 -28.290 -7.019 1.00 0.00 N ATOM 0 H ARG A 93 -0.153 -25.720 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.908 -27.716 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.149 -27.093 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.024 -25.755 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.069 -24.721 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.461 -24.993 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.773 -25.638 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.832 -27.113 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 93 3.756 -26.153 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.810 -28.651 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.713 -29.791 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.932 -27.610 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.346 -29.204 -7.139 1.00 0.00 H new ATOM 1173 N ALA A 94 0.834 -28.126 -2.373 1.00 0.00 N ATOM 1174 CA ALA A 94 1.682 -29.040 -1.634 1.00 0.00 C ATOM 1175 C ALA A 94 0.910 -29.972 -0.733 1.00 0.00 C ATOM 1176 O ALA A 94 1.500 -30.854 -0.115 1.00 0.00 O ATOM 1177 CB ALA A 94 2.705 -28.282 -0.827 1.00 0.00 C ATOM 0 H ALA A 94 0.381 -27.408 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 94 2.183 -29.658 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.331 -28.986 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.327 -27.687 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.197 -27.624 -0.122 1.00 0.00 H new ATOM 1485 N GLU B 43 5.905 6.001 -1.797 1.00 0.00 N ATOM 1486 CA GLU B 43 4.591 5.640 -1.357 1.00 0.00 C ATOM 1487 C GLU B 43 3.722 5.271 -2.529 1.00 0.00 C ATOM 1488 O GLU B 43 2.860 4.448 -2.391 1.00 0.00 O ATOM 1489 CB GLU B 43 3.914 6.716 -0.523 1.00 0.00 C ATOM 1490 CG GLU B 43 3.537 7.970 -1.274 1.00 0.00 C ATOM 1491 CD GLU B 43 2.700 8.884 -0.442 1.00 0.00 C ATOM 1492 OE1 GLU B 43 1.653 8.421 0.075 1.00 0.00 O ATOM 1493 OE2 GLU B 43 3.055 10.065 -0.268 1.00 0.00 O ATOM 0 HA GLU B 43 4.718 4.775 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU B 43 3.013 6.294 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU B 43 4.578 6.989 0.297 1.00 0.00 H new ATOM 0 HG2 GLU B 43 4.441 8.491 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU B 43 2.992 7.702 -2.179 1.00 0.00 H new ATOM 1500 N LYS B 44 3.982 5.867 -3.694 1.00 0.00 N ATOM 1501 CA LYS B 44 3.199 5.569 -4.891 1.00 0.00 C ATOM 1502 C LYS B 44 3.461 4.120 -5.257 1.00 0.00 C ATOM 1503 O LYS B 44 2.530 3.332 -5.488 1.00 0.00 O ATOM 1504 CB LYS B 44 3.597 6.539 -6.039 1.00 0.00 C ATOM 1505 CG LYS B 44 2.700 6.524 -7.312 1.00 0.00 C ATOM 1506 CD LYS B 44 2.852 5.264 -8.183 1.00 0.00 C ATOM 1507 CE LYS B 44 4.240 5.151 -8.832 1.00 0.00 C ATOM 1508 NZ LYS B 44 4.508 6.246 -9.791 1.00 0.00 N ATOM 0 H LYS B 44 4.723 6.554 -3.832 1.00 0.00 H new ATOM 0 HA LYS B 44 2.133 5.710 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS B 44 3.604 7.553 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.619 6.308 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS B 44 1.657 6.617 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS B 44 2.935 7.400 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS B 44 2.670 4.381 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS B 44 2.091 5.274 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS B 44 5.003 5.159 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS B 44 4.320 4.194 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 5.394 6.053 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.725 6.311 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 4.594 7.145 -9.276 1.00 0.00 H new ATOM 1522 N ARG B 45 4.737 3.777 -5.250 1.00 0.00 N ATOM 1523 CA ARG B 45 5.203 2.430 -5.514 1.00 0.00 C ATOM 1524 C ARG B 45 4.602 1.457 -4.511 1.00 0.00 C ATOM 1525 O ARG B 45 4.045 0.425 -4.890 1.00 0.00 O ATOM 1526 CB ARG B 45 6.726 2.389 -5.421 1.00 0.00 C ATOM 1527 CG ARG B 45 7.443 3.107 -6.552 1.00 0.00 C ATOM 1528 CD ARG B 45 8.919 3.301 -6.234 1.00 0.00 C ATOM 1529 NE ARG B 45 9.588 2.043 -5.860 1.00 0.00 N ATOM 1530 CZ ARG B 45 10.873 1.933 -5.499 1.00 0.00 C ATOM 1531 NH1 ARG B 45 11.712 2.953 -5.676 1.00 0.00 N ATOM 1532 NH2 ARG B 45 11.332 0.786 -5.005 1.00 0.00 N ATOM 0 H ARG B 45 5.489 4.438 -5.057 1.00 0.00 H new ATOM 0 HA ARG B 45 4.891 2.138 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.032 2.832 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.049 1.348 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG B 45 7.339 2.534 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.975 4.076 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG B 45 9.420 3.731 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG B 45 9.020 4.018 -5.419 1.00 0.00 H new ATOM 0 HE ARG B 45 9.029 1.190 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG B 45 11.377 3.824 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG B 45 12.690 2.863 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG B 45 10.705 -0.012 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG B 45 12.311 0.704 -4.731 1.00 0.00 H new ATOM 1546 N ARG B 46 4.684 1.818 -3.238 1.00 0.00 N ATOM 1547 CA ARG B 46 4.192 0.980 -2.169 1.00 0.00 C ATOM 1548 C ARG B 46 2.684 0.772 -2.286 1.00 0.00 C ATOM 1549 O ARG B 46 2.235 -0.351 -2.251 1.00 0.00 O ATOM 1550 CB ARG B 46 4.549 1.556 -0.800 1.00 0.00 C ATOM 1551 CG ARG B 46 4.287 0.599 0.361 1.00 0.00 C ATOM 1552 CD ARG B 46 4.572 1.261 1.698 1.00 0.00 C ATOM 1553 NE ARG B 46 5.935 1.811 1.780 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.394 2.616 2.760 1.00 0.00 C ATOM 1555 NH1 ARG B 46 5.659 2.855 3.843 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.608 3.138 2.669 1.00 0.00 N ATOM 0 H ARG B 46 5.093 2.698 -2.924 1.00 0.00 H new ATOM 0 HA ARG B 46 4.680 0.010 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG B 46 5.603 1.835 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG B 46 3.977 2.470 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.250 0.265 0.332 1.00 0.00 H new ATOM 0 HG3 ARG B 46 4.911 -0.288 0.252 1.00 0.00 H new ATOM 0 HD2 ARG B 46 3.851 2.061 1.864 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.429 0.533 2.497 1.00 0.00 H new ATOM 0 HE ARG B 46 6.586 1.563 1.035 1.00 0.00 H new ATOM 0 HH11 ARG B 46 4.738 2.428 3.939 1.00 0.00 H new ATOM 0 HH12 ARG B 46 6.017 3.466 4.578 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.193 2.931 1.859 1.00 0.00 H new ATOM 0 HH22 ARG B 46 7.958 3.747 3.408 1.00 0.00 H new ATOM 1570 N ARG B 47 1.918 1.864 -2.458 1.00 0.00 N ATOM 1571 CA ARG B 47 0.443 1.796 -2.583 1.00 0.00 C ATOM 1572 C ARG B 47 0.047 0.853 -3.684 1.00 0.00 C ATOM 1573 O ARG B 47 -0.817 0.006 -3.492 1.00 0.00 O ATOM 1574 CB ARG B 47 -0.204 3.156 -2.899 1.00 0.00 C ATOM 1575 CG ARG B 47 -0.041 4.252 -1.867 1.00 0.00 C ATOM 1576 CD ARG B 47 -0.754 5.501 -2.351 1.00 0.00 C ATOM 1577 NE ARG B 47 -0.440 6.703 -1.568 1.00 0.00 N ATOM 1578 CZ ARG B 47 -1.129 7.848 -1.635 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -2.296 7.895 -2.288 1.00 0.00 N ATOM 1580 NH2 ARG B 47 -0.668 8.925 -1.024 1.00 0.00 N ATOM 0 H ARG B 47 2.294 2.810 -2.514 1.00 0.00 H new ATOM 0 HA ARG B 47 0.089 1.452 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG B 47 0.207 3.515 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -1.270 2.995 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.453 3.931 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG B 47 1.016 4.462 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -0.489 5.678 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -1.830 5.329 -2.320 1.00 0.00 H new ATOM 0 HE ARG B 47 0.356 6.662 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -2.663 7.056 -2.737 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -2.818 8.770 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG B 47 0.209 8.881 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -1.189 9.801 -1.072 1.00 0.00 H new ATOM 1594 N ALA B 48 0.676 1.004 -4.835 1.00 0.00 N ATOM 1595 CA ALA B 48 0.377 0.169 -5.976 1.00 0.00 C ATOM 1596 C ALA B 48 0.634 -1.287 -5.635 1.00 0.00 C ATOM 1597 O ALA B 48 -0.234 -2.125 -5.824 1.00 0.00 O ATOM 1598 CB ALA B 48 1.179 0.601 -7.189 1.00 0.00 C ATOM 0 H ALA B 48 1.401 1.702 -5.001 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.678 0.282 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.936 -0.043 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.935 1.634 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.244 0.523 -6.968 1.00 0.00 H new ATOM 1604 N ARG B 49 1.800 -1.559 -5.050 1.00 0.00 N ATOM 1605 CA ARG B 49 2.157 -2.903 -4.611 1.00 0.00 C ATOM 1606 C ARG B 49 1.115 -3.450 -3.629 1.00 0.00 C ATOM 1607 O ARG B 49 0.714 -4.596 -3.729 1.00 0.00 O ATOM 1608 CB ARG B 49 3.558 -2.910 -3.978 1.00 0.00 C ATOM 1609 CG ARG B 49 4.717 -2.805 -4.966 1.00 0.00 C ATOM 1610 CD ARG B 49 4.898 -4.107 -5.736 1.00 0.00 C ATOM 1611 NE ARG B 49 5.203 -5.226 -4.824 1.00 0.00 N ATOM 1612 CZ ARG B 49 4.999 -6.529 -5.080 1.00 0.00 C ATOM 1613 NH1 ARG B 49 4.556 -6.937 -6.279 1.00 0.00 N ATOM 1614 NH2 ARG B 49 5.276 -7.417 -4.138 1.00 0.00 N ATOM 0 H ARG B 49 2.518 -0.857 -4.869 1.00 0.00 H new ATOM 0 HA ARG B 49 2.173 -3.554 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG B 49 3.625 -2.081 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.675 -3.828 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.532 -1.988 -5.664 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.635 -2.564 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG B 49 3.991 -4.329 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.704 -3.995 -6.461 1.00 0.00 H new ATOM 0 HE ARG B 49 5.605 -4.989 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.369 -6.254 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.407 -7.930 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.638 -7.108 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG B 49 5.127 -8.411 -4.314 1.00 0.00 H new ATOM 1628 N ILE B 50 0.672 -2.602 -2.709 1.00 0.00 N ATOM 1629 CA ILE B 50 -0.345 -2.956 -1.722 1.00 0.00 C ATOM 1630 C ILE B 50 -1.655 -3.358 -2.402 1.00 0.00 C ATOM 1631 O ILE B 50 -2.108 -4.490 -2.255 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.611 -1.774 -0.740 1.00 0.00 C ATOM 1633 CG1 ILE B 50 0.655 -1.464 0.054 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.770 -2.100 0.210 1.00 0.00 C ATOM 1635 CD1 ILE B 50 0.592 -0.183 0.850 1.00 0.00 C ATOM 0 H ILE B 50 1.009 -1.643 -2.625 1.00 0.00 H new ATOM 0 HA ILE B 50 0.036 -3.806 -1.156 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.890 -0.897 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.854 -2.291 0.735 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.497 -1.408 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.935 -1.260 0.884 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.675 -2.283 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.525 -2.989 0.791 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.532 -0.040 1.384 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.426 0.657 0.175 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.227 -0.240 1.567 1.00 0.00 H new ATOM 1647 N ASN B 51 -2.219 -2.447 -3.194 1.00 0.00 N ATOM 1648 CA ASN B 51 -3.525 -2.681 -3.837 1.00 0.00 C ATOM 1649 C ASN B 51 -3.477 -3.872 -4.734 1.00 0.00 C ATOM 1650 O ASN B 51 -4.371 -4.697 -4.711 1.00 0.00 O ATOM 1651 CB ASN B 51 -4.029 -1.476 -4.652 1.00 0.00 C ATOM 1652 CG ASN B 51 -4.378 -0.257 -3.829 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -5.517 -0.089 -3.361 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -3.433 0.611 -3.662 1.00 0.00 N ATOM 0 H ASN B 51 -1.800 -1.542 -3.409 1.00 0.00 H new ATOM 0 HA ASN B 51 -4.223 -2.850 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -3.264 -1.200 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.910 -1.780 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -3.612 1.464 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -2.509 0.442 -4.060 1.00 0.00 H new ATOM 1661 N GLU B 52 -2.413 -3.986 -5.491 1.00 0.00 N ATOM 1662 CA GLU B 52 -2.286 -5.078 -6.442 1.00 0.00 C ATOM 1663 C GLU B 52 -2.041 -6.431 -5.763 1.00 0.00 C ATOM 1664 O GLU B 52 -2.404 -7.490 -6.305 1.00 0.00 O ATOM 1665 CB GLU B 52 -1.232 -4.790 -7.498 1.00 0.00 C ATOM 1666 CG GLU B 52 -1.481 -3.507 -8.295 1.00 0.00 C ATOM 1667 CD GLU B 52 -2.915 -3.352 -8.766 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -3.361 -4.115 -9.652 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -3.623 -2.439 -8.264 1.00 0.00 O ATOM 0 H GLU B 52 -1.622 -3.342 -5.472 1.00 0.00 H new ATOM 0 HA GLU B 52 -3.249 -5.152 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -0.258 -4.721 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.186 -5.631 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -1.216 -2.649 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -0.820 -3.493 -9.161 1.00 0.00 H new ATOM 1676 N SER B 53 -1.429 -6.422 -4.598 1.00 0.00 N ATOM 1677 CA SER B 53 -1.252 -7.653 -3.866 1.00 0.00 C ATOM 1678 C SER B 53 -2.565 -8.042 -3.202 1.00 0.00 C ATOM 1679 O SER B 53 -2.886 -9.207 -3.088 1.00 0.00 O ATOM 1680 CB SER B 53 -0.126 -7.537 -2.840 1.00 0.00 C ATOM 1681 OG SER B 53 1.095 -7.211 -3.481 1.00 0.00 O ATOM 0 H SER B 53 -1.052 -5.590 -4.145 1.00 0.00 H new ATOM 0 HA SER B 53 -0.963 -8.437 -4.566 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.373 -6.772 -2.104 1.00 0.00 H new ATOM 0 HB3 SER B 53 -0.020 -8.477 -2.299 1.00 0.00 H new ATOM 0 HG SER B 53 1.236 -6.242 -3.442 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.341 -7.036 -2.826 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.594 -7.214 -2.163 1.00 0.00 C ATOM 1689 C LEU B 54 -5.644 -7.705 -3.176 1.00 0.00 C ATOM 1690 O LEU B 54 -6.492 -8.550 -2.867 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.980 -5.852 -1.555 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.967 -5.843 -0.397 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.923 -4.499 0.305 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.384 -6.121 -0.854 1.00 0.00 C ATOM 0 H LEU B 54 -3.098 -6.058 -2.984 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.534 -7.963 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.065 -5.365 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.395 -5.235 -2.352 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.673 -6.638 0.288 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.632 -4.498 1.133 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.918 -4.321 0.687 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.188 -3.711 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -8.053 -6.105 0.006 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.692 -5.358 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.427 -7.101 -1.329 1.00 0.00 H new ATOM 1706 N SER B 55 -5.564 -7.195 -4.380 1.00 0.00 N ATOM 1707 CA SER B 55 -6.488 -7.542 -5.409 1.00 0.00 C ATOM 1708 C SER B 55 -6.295 -8.985 -5.880 1.00 0.00 C ATOM 1709 O SER B 55 -7.264 -9.734 -6.007 1.00 0.00 O ATOM 1710 CB SER B 55 -6.393 -6.528 -6.541 1.00 0.00 C ATOM 1711 OG SER B 55 -5.062 -6.392 -6.991 1.00 0.00 O ATOM 0 H SER B 55 -4.850 -6.525 -4.666 1.00 0.00 H new ATOM 0 HA SER B 55 -7.501 -7.501 -5.010 1.00 0.00 H new ATOM 0 HB2 SER B 55 -7.030 -6.841 -7.368 1.00 0.00 H new ATOM 0 HB3 SER B 55 -6.765 -5.562 -6.200 1.00 0.00 H new ATOM 0 HG SER B 55 -5.059 -6.005 -7.891 1.00 0.00 H new ATOM 1717 N GLN B 56 -5.051 -9.403 -6.088 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.796 -10.788 -6.490 1.00 0.00 C ATOM 1719 C GLN B 56 -5.179 -11.733 -5.340 1.00 0.00 C ATOM 1720 O GLN B 56 -5.667 -12.842 -5.561 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.331 -10.989 -6.908 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.333 -10.814 -5.785 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.911 -10.866 -6.258 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.289 -11.931 -6.311 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.388 -9.733 -6.613 1.00 0.00 N ATOM 0 H GLN B 56 -4.219 -8.821 -5.989 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.410 -11.020 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.219 -11.990 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.092 -10.283 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.512 -9.859 -5.291 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.492 -11.593 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.938 -8.876 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.573 -9.699 -6.952 1.00 0.00 H new ATOM 1734 N LEU B 57 -5.012 -11.224 -4.129 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.317 -11.914 -2.896 1.00 0.00 C ATOM 1736 C LEU B 57 -6.799 -12.303 -2.844 1.00 0.00 C ATOM 1737 O LEU B 57 -7.126 -13.491 -2.794 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.870 -10.994 -1.731 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.104 -11.416 -0.289 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.046 -10.780 0.607 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.433 -10.909 0.158 1.00 0.00 C ATOM 0 H LEU B 57 -4.646 -10.284 -3.978 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.777 -12.858 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.800 -10.822 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.365 -10.033 -1.871 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.058 -12.503 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.214 -11.083 1.640 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.056 -11.107 0.290 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.111 -9.694 0.532 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.608 -11.208 1.192 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.450 -9.821 0.087 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.214 -11.326 -0.477 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.688 -11.311 -2.938 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.135 -11.574 -2.910 1.00 0.00 C ATOM 1755 C LYS B 58 -9.586 -12.455 -4.072 1.00 0.00 C ATOM 1756 O LYS B 58 -10.516 -13.247 -3.936 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.994 -10.260 -2.793 1.00 0.00 C ATOM 1758 CG LYS B 58 -9.818 -9.173 -3.881 1.00 0.00 C ATOM 1759 CD LYS B 58 -10.404 -9.583 -5.223 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.212 -8.525 -6.288 1.00 0.00 C ATOM 1761 NZ LYS B 58 -10.589 -9.035 -7.620 1.00 0.00 N ATOM 0 H LYS B 58 -7.438 -10.327 -3.033 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.320 -12.139 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -11.045 -10.549 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.775 -9.804 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -10.295 -8.251 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -8.757 -8.957 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -9.938 -10.512 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -11.468 -9.785 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -10.814 -7.649 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -9.171 -8.202 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.594 -8.251 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -9.902 -9.754 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -11.537 -9.460 -7.574 1.00 0.00 H new ATOM 1775 N THR B 59 -8.889 -12.338 -5.188 1.00 0.00 N ATOM 1776 CA THR B 59 -9.221 -13.061 -6.380 1.00 0.00 C ATOM 1777 C THR B 59 -9.018 -14.563 -6.174 1.00 0.00 C ATOM 1778 O THR B 59 -9.948 -15.363 -6.359 1.00 0.00 O ATOM 1779 CB THR B 59 -8.364 -12.541 -7.558 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.632 -11.134 -7.743 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.680 -13.276 -8.845 1.00 0.00 C ATOM 0 H THR B 59 -8.074 -11.732 -5.283 1.00 0.00 H new ATOM 0 HA THR B 59 -10.273 -12.899 -6.615 1.00 0.00 H new ATOM 0 HB THR B 59 -7.314 -12.710 -7.319 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.929 -10.607 -7.308 1.00 0.00 H new ATOM 0 HG21 THR B 59 -8.059 -12.884 -9.650 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.478 -14.339 -8.716 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.731 -13.135 -9.096 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.842 -14.920 -5.706 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.485 -16.310 -5.522 1.00 0.00 C ATOM 1791 C LEU B 60 -8.248 -16.927 -4.373 1.00 0.00 C ATOM 1792 O LEU B 60 -8.583 -18.112 -4.417 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.991 -16.443 -5.303 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.117 -15.873 -6.412 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -3.672 -16.062 -6.080 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.451 -16.513 -7.749 1.00 0.00 C ATOM 0 H LEU B 60 -7.110 -14.260 -5.444 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.757 -16.851 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.732 -15.947 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.751 -17.499 -5.181 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.317 -14.805 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.058 -15.650 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.443 -15.548 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.460 -17.126 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.813 -16.089 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.284 -17.588 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.496 -16.321 -7.993 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.521 -16.129 -3.354 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.299 -16.587 -2.221 1.00 0.00 C ATOM 1810 C ILE B 61 -10.698 -16.951 -2.645 1.00 0.00 C ATOM 1811 O ILE B 61 -11.140 -18.078 -2.436 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.351 -15.536 -1.074 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.991 -15.427 -0.398 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.449 -15.856 -0.043 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.515 -16.723 0.232 1.00 0.00 C ATOM 0 H ILE B 61 -8.213 -15.159 -3.291 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.796 -17.474 -1.835 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.604 -14.574 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.256 -15.099 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.039 -14.656 0.371 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.447 -15.096 0.738 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.420 -15.866 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.258 -16.833 0.401 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.540 -16.567 0.694 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.229 -17.042 0.991 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.434 -17.492 -0.536 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.359 -16.027 -3.307 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.738 -16.202 -3.681 1.00 0.00 C ATOM 1829 C LEU B 62 -12.871 -17.392 -4.618 1.00 0.00 C ATOM 1830 O LEU B 62 -13.799 -18.201 -4.483 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.281 -14.902 -4.308 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.819 -14.714 -4.395 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.482 -15.637 -5.413 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.461 -14.876 -3.021 1.00 0.00 C ATOM 0 H LEU B 62 -10.954 -15.137 -3.599 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.339 -16.413 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.875 -14.064 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.879 -14.827 -5.318 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.985 -13.697 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.557 -15.455 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.071 -15.442 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.293 -16.675 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.539 -14.740 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.250 -15.874 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -15.053 -14.130 -2.339 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.906 -17.553 -5.500 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.957 -18.628 -6.450 1.00 0.00 C ATOM 1848 C ASP B 63 -11.671 -19.974 -5.842 1.00 0.00 C ATOM 1849 O ASP B 63 -12.115 -20.987 -6.361 1.00 0.00 O ATOM 1850 CB ASP B 63 -11.066 -18.421 -7.640 1.00 0.00 C ATOM 1851 CG ASP B 63 -11.555 -17.343 -8.587 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -12.748 -17.372 -8.976 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -10.755 -16.475 -9.002 1.00 0.00 O ATOM 0 H ASP B 63 -11.084 -16.953 -5.573 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.991 -18.618 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.066 -18.161 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -10.980 -19.360 -8.186 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.946 -20.012 -4.768 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.632 -21.279 -4.170 1.00 0.00 C ATOM 1860 C ALA B 64 -11.759 -21.738 -3.270 1.00 0.00 C ATOM 1861 O ALA B 64 -11.906 -22.925 -2.990 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.319 -21.216 -3.418 1.00 0.00 C ATOM 0 H ALA B 64 -10.564 -19.196 -4.290 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.518 -22.013 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.106 -22.189 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.518 -20.948 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.387 -20.466 -2.630 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.554 -20.798 -2.817 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.626 -21.122 -1.898 1.00 0.00 C ATOM 1870 C LEU B 65 -14.907 -21.323 -2.644 1.00 0.00 C ATOM 1871 O LEU B 65 -15.698 -22.207 -2.314 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.802 -20.010 -0.868 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.518 -19.513 -0.225 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -12.796 -18.552 0.891 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -11.649 -20.658 0.211 1.00 0.00 C ATOM 0 H LEU B 65 -12.483 -19.811 -3.065 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.365 -22.045 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.298 -19.167 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.468 -20.367 -0.082 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.960 -18.960 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -11.854 -18.218 1.327 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -13.342 -17.692 0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -13.395 -19.046 1.656 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -10.738 -20.270 0.667 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -12.187 -21.267 0.937 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -11.390 -21.268 -0.654 1.00 0.00 H new ATOM 1887 N LYS B 66 -15.099 -20.502 -3.664 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.286 -20.528 -4.485 1.00 0.00 C ATOM 1889 C LYS B 66 -17.514 -20.236 -3.662 1.00 0.00 C ATOM 1890 O LYS B 66 -18.380 -21.081 -3.470 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.407 -21.835 -5.282 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.314 -22.067 -6.342 1.00 0.00 C ATOM 1893 CD LYS B 66 -15.489 -21.198 -7.569 1.00 0.00 C ATOM 1894 CE LYS B 66 -14.728 -19.912 -7.421 1.00 0.00 C ATOM 1895 NZ LYS B 66 -14.805 -19.069 -8.630 1.00 0.00 N ATOM 0 H LYS B 66 -14.423 -19.792 -3.944 1.00 0.00 H new ATOM 0 HA LYS B 66 -16.197 -19.733 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.393 -22.670 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.378 -21.850 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -14.338 -21.869 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -15.322 -23.115 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.141 -21.733 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -16.547 -20.985 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -15.121 -19.357 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -13.684 -20.134 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -14.183 -18.243 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.501 -19.621 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -15.785 -18.749 -8.768 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.534 -19.058 -3.102 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.669 -18.630 -2.345 1.00 0.00 C ATOM 1911 C LYS B 67 -19.686 -18.016 -3.281 1.00 0.00 C ATOM 1912 O LYS B 67 -20.639 -18.680 -3.698 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.283 -17.627 -1.258 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.338 -18.160 -0.189 1.00 0.00 C ATOM 1915 CD LYS B 67 -17.039 -17.092 0.856 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.091 -17.596 1.937 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.690 -18.656 2.793 1.00 0.00 N ATOM 0 H LYS B 67 -16.775 -18.379 -3.158 1.00 0.00 H new ATOM 0 HA LYS B 67 -19.096 -19.500 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.819 -16.762 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.193 -17.274 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.782 -19.031 0.293 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.409 -18.491 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.601 -16.221 0.368 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.971 -16.765 1.316 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.188 -17.985 1.467 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.788 -16.758 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -16.023 -18.909 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.574 -18.304 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -16.892 -19.496 2.214 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.444 -16.769 -3.661 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.345 -16.009 -4.514 1.00 0.00 C ATOM 1933 C ASP B 68 -19.559 -14.918 -5.168 1.00 0.00 C ATOM 1934 O ASP B 68 -18.605 -14.408 -4.581 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.498 -15.343 -3.723 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.476 -16.274 -3.037 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -23.349 -16.851 -3.710 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -22.402 -16.411 -1.790 1.00 0.00 O ATOM 0 H ASP B 68 -18.609 -16.253 -3.383 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.781 -16.703 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -21.060 -14.691 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -22.057 -14.706 -4.408 1.00 0.00 H new ATOM 1943 N SER B 69 -19.954 -14.542 -6.340 1.00 0.00 N ATOM 1944 CA SER B 69 -19.292 -13.499 -7.060 1.00 0.00 C ATOM 1945 C SER B 69 -19.856 -12.115 -6.684 1.00 0.00 C ATOM 1946 O SER B 69 -19.171 -11.090 -6.795 1.00 0.00 O ATOM 1947 CB SER B 69 -19.399 -13.788 -8.544 1.00 0.00 C ATOM 1948 OG SER B 69 -20.743 -14.087 -8.902 1.00 0.00 O ATOM 0 H SER B 69 -20.750 -14.951 -6.830 1.00 0.00 H new ATOM 0 HA SER B 69 -18.237 -13.473 -6.788 1.00 0.00 H new ATOM 0 HB2 SER B 69 -19.049 -12.927 -9.113 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.753 -14.627 -8.804 1.00 0.00 H new ATOM 0 HG SER B 69 -20.793 -14.269 -9.864 1.00 0.00 H new ATOM 1954 N SER B 70 -21.082 -12.100 -6.198 1.00 0.00 N ATOM 1955 CA SER B 70 -21.709 -10.871 -5.779 1.00 0.00 C ATOM 1956 C SER B 70 -21.035 -10.327 -4.519 1.00 0.00 C ATOM 1957 O SER B 70 -20.733 -9.129 -4.439 1.00 0.00 O ATOM 1958 CB SER B 70 -23.202 -11.078 -5.571 1.00 0.00 C ATOM 1959 OG SER B 70 -23.817 -11.503 -6.783 1.00 0.00 O ATOM 0 H SER B 70 -21.662 -12.931 -6.085 1.00 0.00 H new ATOM 0 HA SER B 70 -21.585 -10.128 -6.567 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.368 -11.822 -4.791 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.660 -10.150 -5.229 1.00 0.00 H new ATOM 0 HG SER B 70 -24.777 -11.634 -6.634 1.00 0.00 H new ATOM 1965 N ARG B 71 -20.756 -11.210 -3.558 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.056 -10.814 -2.339 1.00 0.00 C ATOM 1967 C ARG B 71 -18.662 -10.329 -2.705 1.00 0.00 C ATOM 1968 O ARG B 71 -18.173 -9.383 -2.143 1.00 0.00 O ATOM 1969 CB ARG B 71 -19.962 -11.969 -1.356 1.00 0.00 C ATOM 1970 CG ARG B 71 -19.133 -13.095 -1.872 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.944 -14.150 -0.878 1.00 0.00 C ATOM 1972 NE ARG B 71 -20.184 -14.875 -0.551 1.00 0.00 N ATOM 1973 CZ ARG B 71 -20.581 -15.204 0.684 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -19.946 -14.730 1.745 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -21.643 -15.968 0.840 1.00 0.00 N ATOM 0 H ARG B 71 -21.003 -12.199 -3.601 1.00 0.00 H new ATOM 0 HA ARG B 71 -20.617 -10.013 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -19.537 -11.610 -0.419 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -20.965 -12.334 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -19.608 -13.516 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -18.160 -12.714 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.204 -14.859 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.537 -13.712 0.033 1.00 0.00 H new ATOM 0 HE ARG B 71 -20.787 -15.148 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -19.146 -14.108 1.625 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -20.256 -14.987 2.682 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -22.155 -16.303 0.024 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -21.954 -16.224 1.777 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.051 -11.001 -3.683 1.00 0.00 N ATOM 1990 CA HIS B 72 -16.753 -10.630 -4.246 1.00 0.00 C ATOM 1991 C HIS B 72 -16.740 -9.151 -4.685 1.00 0.00 C ATOM 1992 O HIS B 72 -15.771 -8.422 -4.455 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.431 -11.566 -5.431 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.102 -11.310 -6.120 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.979 -10.938 -7.443 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -13.832 -11.403 -5.648 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.688 -10.821 -7.726 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -12.940 -11.089 -6.677 1.00 0.00 N ATOM 0 H HIS B 72 -18.453 -11.834 -4.113 1.00 0.00 H new ATOM 0 HA HIS B 72 -15.985 -10.743 -3.481 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.443 -12.595 -5.073 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.227 -11.476 -6.170 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -15.749 -10.780 -8.093 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -13.556 -11.676 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -13.300 -10.541 -8.694 1.00 0.00 H new ATOM 2006 N SER B 73 -17.845 -8.707 -5.240 1.00 0.00 N ATOM 2007 CA SER B 73 -17.972 -7.355 -5.733 1.00 0.00 C ATOM 2008 C SER B 73 -18.391 -6.389 -4.595 1.00 0.00 C ATOM 2009 O SER B 73 -18.560 -5.180 -4.797 1.00 0.00 O ATOM 2010 CB SER B 73 -18.961 -7.334 -6.918 1.00 0.00 C ATOM 2011 OG SER B 73 -18.967 -6.089 -7.595 1.00 0.00 O ATOM 0 H SER B 73 -18.683 -9.275 -5.362 1.00 0.00 H new ATOM 0 HA SER B 73 -17.005 -7.004 -6.094 1.00 0.00 H new ATOM 0 HB2 SER B 73 -18.699 -8.125 -7.620 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.965 -7.551 -6.554 1.00 0.00 H new ATOM 0 HG SER B 73 -18.810 -5.366 -6.952 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.529 -6.924 -3.409 1.00 0.00 N ATOM 2018 CA LYS B 74 -18.883 -6.127 -2.230 1.00 0.00 C ATOM 2019 C LYS B 74 -17.671 -5.996 -1.366 1.00 0.00 C ATOM 2020 O LYS B 74 -17.435 -4.947 -0.767 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.049 -6.791 -1.441 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.772 -5.943 -0.336 1.00 0.00 C ATOM 2023 CD LYS B 74 -19.937 -5.558 0.918 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.258 -6.754 1.591 1.00 0.00 C ATOM 2025 NZ LYS B 74 -18.794 -6.439 2.978 1.00 0.00 N ATOM 0 H LYS B 74 -18.403 -7.918 -3.219 1.00 0.00 H new ATOM 0 HA LYS B 74 -19.222 -5.140 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -20.801 -7.109 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -19.660 -7.693 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.134 -5.024 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -21.648 -6.499 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -19.176 -4.833 0.629 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -20.588 -5.066 1.641 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.954 -7.592 1.625 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.407 -7.071 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.169 -7.198 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -18.274 -5.538 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -19.616 -6.361 3.610 1.00 0.00 H new ATOM 2039 N LEU B 75 -16.909 -7.069 -1.379 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.744 -7.319 -0.555 1.00 0.00 C ATOM 2041 C LEU B 75 -14.962 -6.110 -0.229 1.00 0.00 C ATOM 2042 O LEU B 75 -14.302 -5.506 -1.079 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.853 -8.389 -1.145 1.00 0.00 C ATOM 2044 CG LEU B 75 -15.345 -9.823 -1.052 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -14.341 -10.771 -1.688 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -15.599 -10.225 0.392 1.00 0.00 C ATOM 0 H LEU B 75 -17.101 -7.846 -2.011 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.147 -7.683 0.390 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -14.692 -8.154 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.882 -8.331 -0.653 1.00 0.00 H new ATOM 0 HG LEU B 75 -16.288 -9.888 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -14.709 -11.794 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.208 -10.509 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -13.385 -10.690 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -15.950 -11.256 0.426 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -14.674 -10.138 0.962 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -16.355 -9.570 0.824 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.063 -5.763 0.993 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.417 -4.630 1.520 1.00 0.00 C ATOM 2060 C GLU B 76 -13.088 -5.070 2.070 1.00 0.00 C ATOM 2061 O GLU B 76 -12.842 -6.265 2.196 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.276 -4.027 2.601 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.658 -3.625 2.114 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.521 -3.117 3.213 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -18.177 -3.937 3.879 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.551 -1.900 3.441 1.00 0.00 O ATOM 0 H GLU B 76 -15.617 -6.278 1.678 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.259 -3.873 0.752 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.379 -4.744 3.416 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.773 -3.151 3.009 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -16.561 -2.856 1.347 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.139 -4.484 1.645 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.261 -4.127 2.432 1.00 0.00 N ATOM 2074 CA LYS B 77 -10.907 -4.417 2.877 1.00 0.00 C ATOM 2075 C LYS B 77 -10.866 -5.385 4.072 1.00 0.00 C ATOM 2076 O LYS B 77 -10.123 -6.355 4.066 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.161 -3.114 3.155 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.773 -3.326 3.704 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.887 -2.079 3.597 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.601 -1.686 2.143 1.00 0.00 C ATOM 2081 NZ LYS B 77 -6.708 -0.516 2.050 1.00 0.00 N ATOM 0 H LYS B 77 -12.497 -3.135 2.430 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.393 -4.940 2.070 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.095 -2.537 2.232 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.737 -2.518 3.863 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.844 -3.625 4.750 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.299 -4.148 3.169 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.373 -1.247 4.106 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -6.944 -2.261 4.113 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -7.148 -2.530 1.622 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.540 -1.466 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -6.541 -0.285 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -7.151 0.297 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -5.801 -0.734 2.511 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.701 -5.129 5.043 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.813 -5.974 6.239 1.00 0.00 C ATOM 2097 C ALA B 78 -12.255 -7.388 5.881 1.00 0.00 C ATOM 2098 O ALA B 78 -11.821 -8.368 6.501 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.814 -5.372 7.203 1.00 0.00 C ATOM 0 H ALA B 78 -12.333 -4.328 5.043 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.828 -6.025 6.704 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.892 -6.004 8.088 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -12.483 -4.376 7.496 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.788 -5.303 6.719 1.00 0.00 H new ATOM 2105 N ASP B 79 -13.056 -7.480 4.837 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.671 -8.741 4.429 1.00 0.00 C ATOM 2107 C ASP B 79 -12.630 -9.593 3.785 1.00 0.00 C ATOM 2108 O ASP B 79 -12.407 -10.745 4.156 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.803 -8.488 3.409 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.981 -7.715 3.940 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.854 -6.517 4.180 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -17.089 -8.283 4.039 1.00 0.00 O ATOM 0 H ASP B 79 -13.302 -6.687 4.244 1.00 0.00 H new ATOM 0 HA ASP B 79 -14.088 -9.233 5.307 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.389 -7.949 2.557 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.157 -9.449 3.037 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.984 -8.986 2.832 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.924 -9.570 2.050 1.00 0.00 C ATOM 2119 C ILE B 80 -9.797 -10.094 2.932 1.00 0.00 C ATOM 2120 O ILE B 80 -9.412 -11.261 2.820 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.398 -8.505 1.079 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.491 -8.130 0.088 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.154 -8.971 0.373 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.221 -6.859 -0.669 1.00 0.00 C ATOM 0 H ILE B 80 -12.189 -8.024 2.563 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.316 -10.424 1.498 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.124 -7.618 1.650 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -11.616 -8.945 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.434 -8.028 0.625 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -8.808 -8.192 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.377 -9.183 1.107 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.374 -9.876 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.046 -6.661 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.126 -6.031 0.033 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.296 -6.963 -1.236 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.303 -9.245 3.815 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.218 -9.606 4.727 1.00 0.00 C ATOM 2138 C LEU B 81 -8.560 -10.859 5.514 1.00 0.00 C ATOM 2139 O LEU B 81 -7.819 -11.842 5.481 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.917 -8.454 5.686 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.849 -7.421 5.282 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.052 -6.889 3.865 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.877 -6.278 6.276 1.00 0.00 C ATOM 0 H LEU B 81 -9.637 -8.288 3.925 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.331 -9.808 4.126 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.849 -7.916 5.861 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.615 -8.887 6.640 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.878 -7.917 5.293 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.271 -6.165 3.633 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.003 -7.715 3.156 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -8.027 -6.407 3.794 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.125 -5.539 6.001 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.863 -5.813 6.268 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.664 -6.659 7.275 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.713 -10.840 6.150 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.160 -11.941 6.970 1.00 0.00 C ATOM 2157 C GLU B 82 -10.392 -13.201 6.171 1.00 0.00 C ATOM 2158 O GLU B 82 -10.032 -14.274 6.619 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.408 -11.536 7.745 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.149 -12.634 8.424 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.299 -12.117 9.241 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.061 -11.484 10.295 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.460 -12.355 8.885 1.00 0.00 O ATOM 0 H GLU B 82 -10.366 -10.058 6.111 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.364 -12.174 7.677 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.120 -10.802 8.497 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.091 -11.037 7.057 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.521 -13.336 7.677 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.466 -13.187 9.069 1.00 0.00 H new ATOM 2170 N MET B 83 -10.900 -13.056 4.962 1.00 0.00 N ATOM 2171 CA MET B 83 -11.292 -14.195 4.144 1.00 0.00 C ATOM 2172 C MET B 83 -10.059 -15.030 3.818 1.00 0.00 C ATOM 2173 O MET B 83 -10.086 -16.261 3.805 1.00 0.00 O ATOM 2174 CB MET B 83 -11.942 -13.699 2.853 1.00 0.00 C ATOM 2175 CG MET B 83 -12.942 -14.670 2.250 1.00 0.00 C ATOM 2176 SD MET B 83 -14.399 -14.898 3.308 1.00 0.00 S ATOM 2177 CE MET B 83 -15.051 -13.215 3.365 1.00 0.00 C ATOM 0 H MET B 83 -11.053 -12.151 4.518 1.00 0.00 H new ATOM 0 HA MET B 83 -12.009 -14.809 4.690 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.445 -12.753 3.052 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.161 -13.496 2.120 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.258 -14.304 1.273 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.458 -15.633 2.088 1.00 0.00 H new ATOM 0 HE1 MET B 83 -16.113 -13.244 3.608 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.520 -12.645 4.127 1.00 0.00 H new ATOM 0 HE3 MET B 83 -14.914 -12.739 2.394 1.00 0.00 H new ATOM 2187 N THR B 84 -8.981 -14.325 3.636 1.00 0.00 N ATOM 2188 CA THR B 84 -7.702 -14.872 3.308 1.00 0.00 C ATOM 2189 C THR B 84 -7.073 -15.554 4.538 1.00 0.00 C ATOM 2190 O THR B 84 -6.547 -16.664 4.440 1.00 0.00 O ATOM 2191 CB THR B 84 -6.835 -13.720 2.803 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.632 -12.997 1.871 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.595 -14.215 2.072 1.00 0.00 C ATOM 0 H THR B 84 -8.972 -13.308 3.716 1.00 0.00 H new ATOM 0 HA THR B 84 -7.791 -15.638 2.538 1.00 0.00 H new ATOM 0 HB THR B 84 -6.506 -13.118 3.650 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.099 -12.270 2.334 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.009 -13.362 1.731 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.993 -14.822 2.748 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.894 -14.816 1.213 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.182 -14.903 5.692 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.662 -15.455 6.947 1.00 0.00 C ATOM 2203 C VAL B 85 -7.419 -16.730 7.297 1.00 0.00 C ATOM 2204 O VAL B 85 -6.828 -17.738 7.684 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.820 -14.450 8.111 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.302 -15.009 9.435 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.146 -13.154 7.791 1.00 0.00 C ATOM 0 H VAL B 85 -7.626 -13.990 5.788 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.602 -15.666 6.806 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.888 -14.271 8.231 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.435 -14.266 10.221 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.857 -15.911 9.691 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.243 -15.250 9.339 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.271 -12.463 8.625 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.084 -13.329 7.621 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.591 -12.724 6.894 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.726 -16.685 7.121 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.581 -17.814 7.397 1.00 0.00 C ATOM 2219 C LYS B 86 -9.248 -18.991 6.484 1.00 0.00 C ATOM 2220 O LYS B 86 -9.238 -20.142 6.917 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.044 -17.436 7.279 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.476 -16.344 8.248 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.976 -16.203 8.242 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.480 -15.539 9.500 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.920 -15.230 9.428 1.00 0.00 N ATOM 0 H LYS B 86 -9.222 -15.861 6.782 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.398 -18.123 8.426 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.243 -17.104 6.260 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.654 -18.323 7.450 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.130 -16.583 9.254 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.014 -15.397 7.969 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.283 -15.619 7.374 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.434 -17.187 8.142 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -13.292 -16.191 10.353 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -12.921 -14.619 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.374 -15.477 10.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.048 -14.215 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -15.355 -15.780 8.660 1.00 0.00 H new ATOM 2239 N HIS B 87 -8.919 -18.693 5.238 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.535 -19.724 4.287 1.00 0.00 C ATOM 2241 C HIS B 87 -7.159 -20.301 4.647 1.00 0.00 C ATOM 2242 O HIS B 87 -6.875 -21.478 4.376 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.554 -19.185 2.841 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.241 -20.229 1.787 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -7.415 -20.016 0.708 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -8.699 -21.499 1.654 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -7.399 -21.129 -0.027 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -8.161 -22.062 0.505 1.00 0.00 N ATOM 0 H HIS B 87 -8.910 -17.745 4.861 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.267 -20.530 4.344 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -9.537 -18.760 2.636 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -7.832 -18.373 2.758 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -9.376 -21.994 2.335 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -6.834 -21.249 -0.940 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -8.322 -23.003 0.147 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.336 -19.493 5.312 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.018 -19.912 5.707 1.00 0.00 C ATOM 2258 C LEU B 88 -5.186 -20.960 6.772 1.00 0.00 C ATOM 2259 O LEU B 88 -4.492 -21.964 6.772 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.192 -18.677 6.195 1.00 0.00 C ATOM 2261 CG LEU B 88 -2.708 -18.871 6.636 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.578 -19.521 8.011 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -1.934 -19.665 5.593 1.00 0.00 C ATOM 0 H LEU B 88 -6.573 -18.539 5.585 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.460 -20.341 4.875 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.200 -17.940 5.392 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.728 -18.237 7.036 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.275 -17.874 6.717 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.523 -19.630 8.264 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -3.067 -18.895 8.757 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.051 -20.503 7.995 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.902 -19.788 5.921 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.394 -20.645 5.467 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.951 -19.131 4.643 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.180 -20.742 7.628 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.501 -21.669 8.695 1.00 0.00 C ATOM 2277 C ARG B 89 -6.877 -22.986 8.089 1.00 0.00 C ATOM 2278 O ARG B 89 -6.347 -24.012 8.457 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.708 -21.201 9.514 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.702 -19.759 9.956 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.399 -19.360 10.572 1.00 0.00 C ATOM 2282 NE ARG B 89 -6.572 -18.205 11.438 1.00 0.00 N ATOM 2283 CZ ARG B 89 -6.154 -18.142 12.701 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -5.402 -19.121 13.217 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -6.490 -17.106 13.452 1.00 0.00 N ATOM 0 H ARG B 89 -6.781 -19.918 7.597 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.627 -21.739 9.343 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.608 -21.373 8.924 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.783 -21.830 10.401 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.908 -19.118 9.099 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.506 -19.598 10.675 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.992 -20.193 11.145 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -5.677 -19.129 9.789 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.045 -17.388 11.052 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.145 -19.923 12.642 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.086 -19.065 14.185 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -7.067 -16.360 13.063 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -6.172 -17.053 14.420 1.00 0.00 H new ATOM 2299 N ASN B 90 -7.769 -22.907 7.108 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.341 -24.065 6.431 1.00 0.00 C ATOM 2301 C ASN B 90 -7.272 -24.957 5.870 1.00 0.00 C ATOM 2302 O ASN B 90 -7.195 -26.128 6.217 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.318 -23.651 5.317 1.00 0.00 C ATOM 2304 CG ASN B 90 -10.510 -22.858 5.817 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -10.927 -22.994 6.971 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.087 -22.056 4.958 1.00 0.00 N ATOM 0 H ASN B 90 -8.122 -22.018 6.754 1.00 0.00 H new ATOM 0 HA ASN B 90 -8.899 -24.622 7.184 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -8.781 -23.057 4.577 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -9.676 -24.546 4.808 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -11.909 -21.519 5.234 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -10.715 -21.969 4.012 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.407 -24.393 5.054 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.331 -25.157 4.450 1.00 0.00 C ATOM 2315 C LEU B 91 -4.351 -25.673 5.489 1.00 0.00 C ATOM 2316 O LEU B 91 -3.847 -26.771 5.368 1.00 0.00 O ATOM 2317 CB LEU B 91 -4.611 -24.337 3.403 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.392 -24.049 2.124 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -4.667 -23.017 1.289 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -5.570 -25.335 1.321 1.00 0.00 C ATOM 0 H LEU B 91 -6.426 -23.407 4.792 1.00 0.00 H new ATOM 0 HA LEU B 91 -5.782 -26.023 3.965 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.322 -23.386 3.850 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -3.691 -24.855 3.134 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.373 -23.658 2.393 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.235 -22.821 0.379 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.565 -22.094 1.859 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -3.678 -23.392 1.025 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.128 -25.121 0.410 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -4.592 -25.740 1.061 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.117 -26.064 1.919 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.143 -24.905 6.537 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.223 -25.279 7.603 1.00 0.00 C ATOM 2334 C GLN B 92 -3.801 -26.355 8.522 1.00 0.00 C ATOM 2335 O GLN B 92 -3.074 -26.944 9.326 1.00 0.00 O ATOM 2336 CB GLN B 92 -2.817 -24.052 8.410 1.00 0.00 C ATOM 2337 CG GLN B 92 -1.747 -23.199 7.769 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.392 -23.853 7.857 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.101 -24.602 8.795 1.00 0.00 O ATOM 2340 NE2 GLN B 92 0.447 -23.575 6.931 1.00 0.00 N ATOM 0 H GLN B 92 -4.603 -24.006 6.679 1.00 0.00 H new ATOM 0 HA GLN B 92 -2.339 -25.705 7.128 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -3.701 -23.436 8.578 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -2.465 -24.378 9.389 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -1.999 -23.022 6.724 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -1.715 -22.226 8.258 1.00 0.00 H new ATOM 0 HE21 GLN B 92 0.178 -22.953 6.169 1.00 0.00 H new ATOM 0 HE22 GLN B 92 1.385 -23.976 6.955 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.095 -26.602 8.422 1.00 0.00 N ATOM 2350 CA ARG B 93 -5.722 -27.627 9.235 1.00 0.00 C ATOM 2351 C ARG B 93 -6.218 -28.786 8.379 1.00 0.00 C ATOM 2352 O ARG B 93 -6.711 -29.787 8.883 1.00 0.00 O ATOM 2353 CB ARG B 93 -6.827 -27.031 10.151 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.007 -26.348 9.451 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.010 -27.332 8.880 1.00 0.00 C ATOM 2356 NE ARG B 93 -9.511 -28.235 9.917 1.00 0.00 N ATOM 2357 CZ ARG B 93 -10.120 -29.394 9.706 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -10.375 -29.802 8.473 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -10.478 -30.134 10.738 1.00 0.00 N ATOM 0 H ARG B 93 -5.728 -26.111 7.791 1.00 0.00 H new ATOM 0 HA ARG B 93 -4.965 -28.040 9.902 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.220 -27.833 10.776 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -6.361 -26.306 10.818 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -8.513 -25.693 10.160 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -7.629 -25.716 8.647 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.843 -26.789 8.433 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -8.543 -27.911 8.084 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.380 -27.948 10.887 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.103 -29.224 7.678 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -10.844 -30.695 8.318 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -10.286 -29.813 11.687 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -10.947 -31.027 10.587 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.024 -28.665 7.078 1.00 0.00 N ATOM 2374 CA ALA B 94 -6.450 -29.678 6.095 1.00 0.00 C ATOM 2375 C ALA B 94 -5.444 -30.831 6.036 1.00 0.00 C ATOM 2376 O ALA B 94 -5.315 -31.524 5.023 1.00 0.00 O ATOM 2377 CB ALA B 94 -6.543 -29.019 4.733 1.00 0.00 C ATOM 0 H ALA B 94 -5.563 -27.858 6.658 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.418 -30.082 6.391 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -6.857 -29.755 3.993 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.271 -28.208 4.770 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -5.568 -28.619 4.455 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.784 -31.046 7.130 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.743 -32.011 7.235 1.00 0.00 C ATOM 2385 C GLN B 95 -4.360 -33.302 7.748 1.00 0.00 C ATOM 2386 O GLN B 95 -4.643 -34.208 6.948 1.00 0.00 O ATOM 2387 CB GLN B 95 -2.693 -31.517 8.233 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.251 -30.048 8.070 1.00 0.00 C ATOM 2389 CD GLN B 95 -1.682 -29.704 6.708 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -0.499 -29.889 6.465 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.489 -29.115 5.851 1.00 0.00 N ATOM 0 H GLN B 95 -4.962 -30.539 7.997 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.266 -32.171 6.268 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -3.087 -31.649 9.241 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -1.812 -32.153 8.149 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -3.107 -29.402 8.265 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.502 -29.822 8.829 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.472 -28.977 6.088 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -2.132 -28.796 4.950 1.00 0.00 H new