USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -160:sc= 0.701 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0.623 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0071 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00672 USER MOD Single : A 7 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0582 (180deg=-0.423) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.632 X(o=-0.63,f=-0.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.007) USER MOD Single : A 34 HIS : no HD1:sc= -0.432 X(o=-0.43,f=0.047) USER MOD Single : A 41 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-6.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.098) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 92:sc= 0.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 170:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 95:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.839 -3.862 -6.310 1.00 0.00 N ATOM 2 CA MET A 1 21.470 -3.413 -5.945 1.00 52.30 C ATOM 3 C MET A 1 20.408 -4.289 -6.602 1.00 52.40 C ATOM 4 O MET A 1 20.549 -4.691 -7.757 1.00 23.40 O ATOM 5 CB MET A 1 21.301 -1.958 -6.386 1.00 4.31 C ATOM 6 CG MET A 1 21.823 -0.951 -5.374 1.00 24.10 C ATOM 7 SD MET A 1 21.722 0.748 -5.969 1.00 4.34 S ATOM 8 CE MET A 1 20.847 1.530 -4.617 1.00 14.20 C ATOM 0 H1 MET A 1 23.476 -3.041 -6.344 1.00 0.00 H new ATOM 0 H2 MET A 1 23.184 -4.539 -5.599 1.00 0.00 H new ATOM 0 H3 MET A 1 22.817 -4.321 -7.243 1.00 0.00 H new ATOM 0 HA MET A 1 21.342 -3.497 -4.866 1.00 52.30 H new ATOM 0 HB2 MET A 1 21.820 -1.811 -7.333 1.00 4.31 H new ATOM 0 HB3 MET A 1 20.244 -1.763 -6.568 1.00 4.31 H new ATOM 0 HG2 MET A 1 21.253 -1.042 -4.449 1.00 24.10 H new ATOM 0 HG3 MET A 1 22.860 -1.187 -5.134 1.00 24.10 H new ATOM 0 HE1 MET A 1 20.708 2.588 -4.838 1.00 14.20 H new ATOM 0 HE2 MET A 1 19.874 1.055 -4.490 1.00 14.20 H new ATOM 0 HE3 MET A 1 21.426 1.424 -3.699 1.00 14.20 H new ATOM 20 N THR A 2 19.346 -4.580 -5.859 1.00 61.20 N ATOM 21 CA THR A 2 18.260 -5.408 -6.370 1.00 14.00 C ATOM 22 C THR A 2 16.964 -5.135 -5.612 1.00 23.20 C ATOM 23 O THR A 2 16.925 -5.213 -4.384 1.00 21.00 O ATOM 24 CB THR A 2 18.626 -6.889 -6.263 1.00 55.20 C ATOM 25 OG1 THR A 2 19.981 -7.098 -6.618 1.00 55.10 O ATOM 26 CG2 THR A 2 17.778 -7.781 -7.144 1.00 41.40 C ATOM 0 H THR A 2 19.214 -4.255 -4.901 1.00 61.20 H new ATOM 0 HA THR A 2 18.106 -5.155 -7.419 1.00 14.00 H new ATOM 0 HB THR A 2 18.445 -7.156 -5.222 1.00 55.20 H new ATOM 0 HG1 THR A 2 20.196 -8.051 -6.542 1.00 55.10 H new ATOM 0 HG21 THR A 2 18.090 -8.818 -7.020 1.00 41.40 H new ATOM 0 HG22 THR A 2 16.730 -7.681 -6.861 1.00 41.40 H new ATOM 0 HG23 THR A 2 17.902 -7.487 -8.186 1.00 41.40 H new ATOM 34 N THR A 3 15.907 -4.817 -6.352 1.00 20.40 N ATOM 35 CA THR A 3 14.610 -4.533 -5.749 1.00 41.10 C ATOM 36 C THR A 3 13.560 -5.534 -6.219 1.00 20.30 C ATOM 37 O THR A 3 13.387 -5.751 -7.420 1.00 1.45 O ATOM 38 CB THR A 3 14.165 -3.111 -6.094 1.00 60.30 C ATOM 39 OG1 THR A 3 15.189 -2.178 -5.795 1.00 40.30 O ATOM 40 CG2 THR A 3 12.919 -2.677 -5.353 1.00 44.30 C ATOM 0 H THR A 3 15.923 -4.750 -7.370 1.00 20.40 H new ATOM 0 HA THR A 3 14.713 -4.623 -4.668 1.00 41.10 H new ATOM 0 HB THR A 3 13.946 -3.129 -7.162 1.00 60.30 H new ATOM 0 HG1 THR A 3 14.886 -1.275 -6.024 1.00 40.30 H new ATOM 0 HG21 THR A 3 12.658 -1.659 -5.644 1.00 44.30 H new ATOM 0 HG22 THR A 3 12.096 -3.347 -5.601 1.00 44.30 H new ATOM 0 HG23 THR A 3 13.104 -2.711 -4.279 1.00 44.30 H new ATOM 48 N SER A 4 12.860 -6.142 -5.267 1.00 10.10 N ATOM 49 CA SER A 4 11.827 -7.120 -5.584 1.00 62.10 C ATOM 50 C SER A 4 10.440 -6.486 -5.522 1.00 62.40 C ATOM 51 O SER A 4 10.306 -5.286 -5.283 1.00 54.30 O ATOM 52 CB SER A 4 11.905 -8.307 -4.620 1.00 2.01 C ATOM 53 OG SER A 4 11.952 -9.535 -5.326 1.00 75.20 O ATOM 0 H SER A 4 12.990 -5.974 -4.269 1.00 10.10 H new ATOM 0 HA SER A 4 11.998 -7.476 -6.600 1.00 62.10 H new ATOM 0 HB2 SER A 4 12.790 -8.211 -3.991 1.00 2.01 H new ATOM 0 HB3 SER A 4 11.040 -8.298 -3.957 1.00 2.01 H new ATOM 0 HG SER A 4 12.003 -10.277 -4.688 1.00 75.20 H new ATOM 59 N THR A 5 9.412 -7.300 -5.741 1.00 64.30 N ATOM 60 CA THR A 5 8.036 -6.818 -5.710 1.00 33.40 C ATOM 61 C THR A 5 7.557 -6.622 -4.275 1.00 1.25 C ATOM 62 O THR A 5 6.739 -5.745 -3.999 1.00 61.20 O ATOM 63 CB THR A 5 7.115 -7.799 -6.437 1.00 61.20 C ATOM 64 OG1 THR A 5 7.799 -8.432 -7.504 1.00 55.00 O ATOM 65 CG2 THR A 5 5.876 -7.144 -7.010 1.00 23.20 C ATOM 0 H THR A 5 9.506 -8.296 -5.942 1.00 64.30 H new ATOM 0 HA THR A 5 8.005 -5.854 -6.218 1.00 33.40 H new ATOM 0 HB THR A 5 6.808 -8.522 -5.681 1.00 61.20 H new ATOM 0 HG1 THR A 5 7.194 -9.057 -7.956 1.00 55.00 H new ATOM 0 HG21 THR A 5 5.266 -7.895 -7.512 1.00 23.20 H new ATOM 0 HG22 THR A 5 5.300 -6.688 -6.205 1.00 23.20 H new ATOM 0 HG23 THR A 5 6.169 -6.376 -7.726 1.00 23.20 H new ATOM 73 N LEU A 6 8.070 -7.446 -3.368 1.00 44.50 N ATOM 74 CA LEU A 6 7.691 -7.364 -1.961 1.00 34.40 C ATOM 75 C LEU A 6 8.290 -6.122 -1.308 1.00 60.40 C ATOM 76 O LEU A 6 7.611 -5.409 -0.569 1.00 61.20 O ATOM 77 CB LEU A 6 8.147 -8.622 -1.217 1.00 70.20 C ATOM 78 CG LEU A 6 7.046 -9.651 -0.950 1.00 70.10 C ATOM 79 CD1 LEU A 6 5.994 -9.076 -0.014 1.00 41.30 C ATOM 80 CD2 LEU A 6 6.410 -10.100 -2.258 1.00 3.15 C ATOM 0 H LEU A 6 8.748 -8.177 -3.581 1.00 44.50 H new ATOM 0 HA LEU A 6 6.605 -7.291 -1.904 1.00 34.40 H new ATOM 0 HB2 LEU A 6 8.938 -9.100 -1.794 1.00 70.20 H new ATOM 0 HB3 LEU A 6 8.584 -8.324 -0.264 1.00 70.20 H new ATOM 0 HG LEU A 6 7.495 -10.520 -0.469 1.00 70.10 H new ATOM 0 HD11 LEU A 6 5.219 -9.822 0.164 1.00 41.30 H new ATOM 0 HD12 LEU A 6 6.460 -8.803 0.933 1.00 41.30 H new ATOM 0 HD13 LEU A 6 5.548 -8.191 -0.468 1.00 41.30 H new ATOM 0 HD21 LEU A 6 5.629 -10.832 -2.051 1.00 3.15 H new ATOM 0 HD22 LEU A 6 5.975 -9.239 -2.765 1.00 3.15 H new ATOM 0 HD23 LEU A 6 7.170 -10.551 -2.896 1.00 3.15 H new ATOM 92 N GLN A 7 9.565 -5.869 -1.583 1.00 11.20 N ATOM 93 CA GLN A 7 10.254 -4.713 -1.022 1.00 31.50 C ATOM 94 C GLN A 7 9.689 -3.414 -1.586 1.00 12.20 C ATOM 95 O GLN A 7 9.682 -2.384 -0.912 1.00 73.10 O ATOM 96 CB GLN A 7 11.755 -4.798 -1.309 1.00 10.40 C ATOM 97 CG GLN A 7 12.496 -5.762 -0.398 1.00 0.42 C ATOM 98 CD GLN A 7 12.528 -5.294 1.044 1.00 74.30 C ATOM 99 OE1 GLN A 7 11.849 -5.854 1.905 1.00 23.10 O ATOM 100 NE2 GLN A 7 13.318 -4.262 1.314 1.00 32.50 N ATOM 0 H GLN A 7 10.142 -6.449 -2.191 1.00 11.20 H new ATOM 0 HA GLN A 7 10.097 -4.717 0.057 1.00 31.50 H new ATOM 0 HB2 GLN A 7 11.901 -5.105 -2.345 1.00 10.40 H new ATOM 0 HB3 GLN A 7 12.193 -3.805 -1.206 1.00 10.40 H new ATOM 0 HG2 GLN A 7 12.020 -6.741 -0.448 1.00 0.42 H new ATOM 0 HG3 GLN A 7 13.517 -5.885 -0.759 1.00 0.42 H new ATOM 0 HE21 GLN A 7 13.863 -3.828 0.569 1.00 32.50 H new ATOM 0 HE22 GLN A 7 13.380 -3.903 2.267 1.00 32.50 H new ATOM 109 N LYS A 8 9.214 -3.471 -2.826 1.00 53.10 N ATOM 110 CA LYS A 8 8.647 -2.299 -3.482 1.00 10.20 C ATOM 111 C LYS A 8 7.412 -1.802 -2.736 1.00 34.10 C ATOM 112 O LYS A 8 7.258 -0.604 -2.499 1.00 3.03 O ATOM 113 CB LYS A 8 8.283 -2.626 -4.931 1.00 63.20 C ATOM 114 CG LYS A 8 9.470 -2.590 -5.880 1.00 72.30 C ATOM 115 CD LYS A 8 9.519 -1.289 -6.666 1.00 30.10 C ATOM 116 CE LYS A 8 10.280 -1.455 -7.971 1.00 22.40 C ATOM 117 NZ LYS A 8 9.792 -0.519 -9.021 1.00 10.30 N ATOM 0 H LYS A 8 9.211 -4.317 -3.397 1.00 53.10 H new ATOM 0 HA LYS A 8 9.398 -1.509 -3.472 1.00 10.20 H new ATOM 0 HB2 LYS A 8 7.829 -3.616 -4.968 1.00 63.20 H new ATOM 0 HB3 LYS A 8 7.531 -1.917 -5.277 1.00 63.20 H new ATOM 0 HG2 LYS A 8 10.393 -2.708 -5.313 1.00 72.30 H new ATOM 0 HG3 LYS A 8 9.410 -3.431 -6.571 1.00 72.30 H new ATOM 0 HD2 LYS A 8 8.504 -0.951 -6.876 1.00 30.10 H new ATOM 0 HD3 LYS A 8 9.994 -0.516 -6.062 1.00 30.10 H new ATOM 0 HE2 LYS A 8 11.342 -1.283 -7.796 1.00 22.40 H new ATOM 0 HE3 LYS A 8 10.177 -2.481 -8.323 1.00 22.40 H new ATOM 0 HZ1 LYS A 8 10.074 -0.871 -9.958 1.00 10.30 H new ATOM 0 HZ2 LYS A 8 8.755 -0.454 -8.973 1.00 10.30 H new ATOM 0 HZ3 LYS A 8 10.206 0.422 -8.866 1.00 10.30 H new ATOM 131 N ALA A 9 6.534 -2.730 -2.370 1.00 62.50 N ATOM 132 CA ALA A 9 5.313 -2.387 -1.652 1.00 74.40 C ATOM 133 C ALA A 9 5.626 -1.792 -0.284 1.00 72.30 C ATOM 134 O ALA A 9 4.918 -0.905 0.194 1.00 34.50 O ATOM 135 CB ALA A 9 4.426 -3.616 -1.504 1.00 21.50 C ATOM 0 H ALA A 9 6.646 -3.726 -2.559 1.00 62.50 H new ATOM 0 HA ALA A 9 4.781 -1.633 -2.232 1.00 74.40 H new ATOM 0 HB1 ALA A 9 3.517 -3.346 -0.966 1.00 21.50 H new ATOM 0 HB2 ALA A 9 4.164 -3.996 -2.491 1.00 21.50 H new ATOM 0 HB3 ALA A 9 4.961 -4.386 -0.949 1.00 21.50 H new ATOM 141 N ILE A 10 6.689 -2.284 0.343 1.00 54.30 N ATOM 142 CA ILE A 10 7.094 -1.799 1.657 1.00 23.30 C ATOM 143 C ILE A 10 7.581 -0.355 1.586 1.00 43.30 C ATOM 144 O ILE A 10 7.458 0.399 2.552 1.00 34.20 O ATOM 145 CB ILE A 10 8.208 -2.679 2.261 1.00 44.40 C ATOM 146 CG1 ILE A 10 7.791 -4.150 2.247 1.00 1.41 C ATOM 147 CG2 ILE A 10 8.530 -2.230 3.679 1.00 21.20 C ATOM 148 CD1 ILE A 10 8.961 -5.110 2.245 1.00 20.00 C ATOM 0 H ILE A 10 7.286 -3.018 -0.038 1.00 54.30 H new ATOM 0 HA ILE A 10 6.214 -1.849 2.298 1.00 23.30 H new ATOM 0 HB ILE A 10 9.105 -2.568 1.652 1.00 44.40 H new ATOM 0 HG12 ILE A 10 7.168 -4.351 3.119 1.00 1.41 H new ATOM 0 HG13 ILE A 10 7.177 -4.337 1.366 1.00 1.41 H new ATOM 0 HG21 ILE A 10 9.318 -2.861 4.090 1.00 21.20 H new ATOM 0 HG22 ILE A 10 8.866 -1.193 3.665 1.00 21.20 H new ATOM 0 HG23 ILE A 10 7.637 -2.314 4.299 1.00 21.20 H new ATOM 0 HD11 ILE A 10 8.591 -6.135 2.235 1.00 20.00 H new ATOM 0 HD12 ILE A 10 9.573 -4.936 1.360 1.00 20.00 H new ATOM 0 HD13 ILE A 10 9.564 -4.951 3.139 1.00 20.00 H new ATOM 160 N ASP A 11 8.136 0.023 0.439 1.00 0.11 N ATOM 161 CA ASP A 11 8.641 1.378 0.246 1.00 33.10 C ATOM 162 C ASP A 11 7.495 2.371 0.082 1.00 54.50 C ATOM 163 O ASP A 11 7.622 3.544 0.437 1.00 73.00 O ATOM 164 CB ASP A 11 9.557 1.431 -0.979 1.00 74.20 C ATOM 165 CG ASP A 11 10.750 2.344 -0.769 1.00 12.10 C ATOM 166 OD1 ASP A 11 10.542 3.563 -0.602 1.00 61.00 O ATOM 167 OD2 ASP A 11 11.892 1.837 -0.772 1.00 4.51 O ATOM 0 H ASP A 11 8.247 -0.589 -0.370 1.00 0.11 H new ATOM 0 HA ASP A 11 9.211 1.656 1.132 1.00 33.10 H new ATOM 0 HB2 ASP A 11 9.909 0.426 -1.210 1.00 74.20 H new ATOM 0 HB3 ASP A 11 8.986 1.776 -1.841 1.00 74.20 H new ATOM 172 N LEU A 12 6.378 1.898 -0.460 1.00 70.50 N ATOM 173 CA LEU A 12 5.211 2.747 -0.671 1.00 40.10 C ATOM 174 C LEU A 12 4.465 2.989 0.638 1.00 44.40 C ATOM 175 O LEU A 12 3.917 4.069 0.861 1.00 13.10 O ATOM 176 CB LEU A 12 4.270 2.109 -1.696 1.00 1.22 C ATOM 177 CG LEU A 12 4.592 2.427 -3.156 1.00 54.40 C ATOM 178 CD1 LEU A 12 4.543 3.928 -3.398 1.00 24.20 C ATOM 179 CD2 LEU A 12 5.956 1.869 -3.535 1.00 44.40 C ATOM 0 H LEU A 12 6.256 0.931 -0.761 1.00 70.50 H new ATOM 0 HA LEU A 12 5.558 3.708 -1.052 1.00 40.10 H new ATOM 0 HB2 LEU A 12 4.292 1.027 -1.562 1.00 1.22 H new ATOM 0 HB3 LEU A 12 3.252 2.436 -1.485 1.00 1.22 H new ATOM 0 HG LEU A 12 3.839 1.953 -3.786 1.00 54.40 H new ATOM 0 HD11 LEU A 12 4.775 4.136 -4.443 1.00 24.20 H new ATOM 0 HD12 LEU A 12 3.546 4.302 -3.166 1.00 24.20 H new ATOM 0 HD13 LEU A 12 5.274 4.424 -2.759 1.00 24.20 H new ATOM 0 HD21 LEU A 12 6.169 2.105 -4.578 1.00 44.40 H new ATOM 0 HD22 LEU A 12 6.721 2.315 -2.899 1.00 44.40 H new ATOM 0 HD23 LEU A 12 5.957 0.787 -3.400 1.00 44.40 H new ATOM 191 N VAL A 13 4.448 1.977 1.500 1.00 54.40 N ATOM 192 CA VAL A 13 3.768 2.081 2.786 1.00 0.13 C ATOM 193 C VAL A 13 4.514 3.019 3.729 1.00 70.10 C ATOM 194 O VAL A 13 3.908 3.672 4.579 1.00 42.10 O ATOM 195 CB VAL A 13 3.624 0.701 3.459 1.00 5.52 C ATOM 196 CG1 VAL A 13 2.787 0.807 4.724 1.00 23.00 C ATOM 197 CG2 VAL A 13 3.018 -0.305 2.492 1.00 44.10 C ATOM 0 H VAL A 13 4.897 1.077 1.331 1.00 54.40 H new ATOM 0 HA VAL A 13 2.776 2.485 2.587 1.00 0.13 H new ATOM 0 HB VAL A 13 4.617 0.349 3.738 1.00 5.52 H new ATOM 0 HG11 VAL A 13 2.697 -0.177 5.184 1.00 23.00 H new ATOM 0 HG12 VAL A 13 3.268 1.492 5.422 1.00 23.00 H new ATOM 0 HG13 VAL A 13 1.795 1.182 4.473 1.00 23.00 H new ATOM 0 HG21 VAL A 13 2.924 -1.273 2.985 1.00 44.10 H new ATOM 0 HG22 VAL A 13 2.033 0.040 2.179 1.00 44.10 H new ATOM 0 HG23 VAL A 13 3.662 -0.404 1.618 1.00 44.10 H new ATOM 207 N THR A 14 5.834 3.079 3.576 1.00 73.00 N ATOM 208 CA THR A 14 6.663 3.937 4.415 1.00 44.30 C ATOM 209 C THR A 14 6.550 5.397 3.986 1.00 73.30 C ATOM 210 O THR A 14 6.516 6.299 4.822 1.00 34.40 O ATOM 211 CB THR A 14 8.123 3.486 4.354 1.00 21.40 C ATOM 212 OG1 THR A 14 8.227 2.093 4.585 1.00 45.10 O ATOM 213 CG2 THR A 14 9.008 4.188 5.360 1.00 44.00 C ATOM 0 H THR A 14 6.352 2.544 2.879 1.00 73.00 H new ATOM 0 HA THR A 14 6.305 3.853 5.441 1.00 44.30 H new ATOM 0 HB THR A 14 8.465 3.746 3.352 1.00 21.40 H new ATOM 0 HG1 THR A 14 7.938 1.606 3.785 1.00 45.10 H new ATOM 0 HG21 THR A 14 10.030 3.822 5.263 1.00 44.00 H new ATOM 0 HG22 THR A 14 8.988 5.262 5.175 1.00 44.00 H new ATOM 0 HG23 THR A 14 8.644 3.987 6.368 1.00 44.00 H new ATOM 221 N LYS A 15 6.494 5.621 2.678 1.00 14.30 N ATOM 222 CA LYS A 15 6.386 6.971 2.137 1.00 3.12 C ATOM 223 C LYS A 15 4.989 7.541 2.365 1.00 44.10 C ATOM 224 O LYS A 15 4.816 8.752 2.497 1.00 65.30 O ATOM 225 CB LYS A 15 6.713 6.972 0.643 1.00 53.30 C ATOM 226 CG LYS A 15 7.521 8.181 0.198 1.00 15.20 C ATOM 227 CD LYS A 15 8.152 7.956 -1.168 1.00 74.00 C ATOM 228 CE LYS A 15 8.129 9.224 -2.006 1.00 61.30 C ATOM 229 NZ LYS A 15 8.447 8.950 -3.434 1.00 3.14 N ATOM 0 H LYS A 15 6.522 4.885 1.972 1.00 14.30 H new ATOM 0 HA LYS A 15 7.105 7.602 2.660 1.00 3.12 H new ATOM 0 HB2 LYS A 15 7.267 6.065 0.400 1.00 53.30 H new ATOM 0 HB3 LYS A 15 5.783 6.938 0.076 1.00 53.30 H new ATOM 0 HG2 LYS A 15 6.875 9.058 0.162 1.00 15.20 H new ATOM 0 HG3 LYS A 15 8.301 8.389 0.931 1.00 15.20 H new ATOM 0 HD2 LYS A 15 9.181 7.619 -1.044 1.00 74.00 H new ATOM 0 HD3 LYS A 15 7.618 7.163 -1.691 1.00 74.00 H new ATOM 0 HE2 LYS A 15 7.145 9.688 -1.936 1.00 61.30 H new ATOM 0 HE3 LYS A 15 8.848 9.938 -1.604 1.00 61.30 H new ATOM 0 HZ1 LYS A 15 8.421 9.840 -3.972 1.00 3.14 H new ATOM 0 HZ2 LYS A 15 9.396 8.530 -3.504 1.00 3.14 H new ATOM 0 HZ3 LYS A 15 7.746 8.288 -3.825 1.00 3.14 H new ATOM 243 N ALA A 16 3.995 6.660 2.406 1.00 63.30 N ATOM 244 CA ALA A 16 2.612 7.075 2.614 1.00 35.00 C ATOM 245 C ALA A 16 2.357 7.436 4.074 1.00 31.10 C ATOM 246 O ALA A 16 1.745 8.461 4.372 1.00 75.30 O ATOM 247 CB ALA A 16 1.660 5.977 2.166 1.00 11.10 C ATOM 0 H ALA A 16 4.121 5.654 2.298 1.00 63.30 H new ATOM 0 HA ALA A 16 2.433 7.966 2.012 1.00 35.00 H new ATOM 0 HB1 ALA A 16 0.631 6.299 2.327 1.00 11.10 H new ATOM 0 HB2 ALA A 16 1.815 5.771 1.107 1.00 11.10 H new ATOM 0 HB3 ALA A 16 1.851 5.072 2.743 1.00 11.10 H new ATOM 253 N THR A 17 2.827 6.585 4.980 1.00 40.30 N ATOM 254 CA THR A 17 2.646 6.813 6.410 1.00 2.11 C ATOM 255 C THR A 17 3.258 8.145 6.835 1.00 52.40 C ATOM 256 O THR A 17 2.657 8.899 7.600 1.00 3.23 O ATOM 257 CB THR A 17 3.272 5.672 7.213 1.00 34.30 C ATOM 258 OG1 THR A 17 3.131 5.902 8.604 1.00 35.10 O ATOM 259 CG2 THR A 17 4.745 5.474 6.927 1.00 10.10 C ATOM 0 H THR A 17 3.336 5.731 4.750 1.00 40.30 H new ATOM 0 HA THR A 17 1.575 6.847 6.612 1.00 2.11 H new ATOM 0 HB THR A 17 2.736 4.775 6.904 1.00 34.30 H new ATOM 0 HG1 THR A 17 3.536 5.161 9.101 1.00 35.10 H new ATOM 0 HG21 THR A 17 5.125 4.649 7.530 1.00 10.10 H new ATOM 0 HG22 THR A 17 4.883 5.245 5.870 1.00 10.10 H new ATOM 0 HG23 THR A 17 5.289 6.385 7.174 1.00 10.10 H new ATOM 267 N GLU A 18 4.456 8.427 6.334 1.00 10.00 N ATOM 268 CA GLU A 18 5.149 9.667 6.661 1.00 62.00 C ATOM 269 C GLU A 18 4.417 10.872 6.079 1.00 51.30 C ATOM 270 O GLU A 18 4.453 11.966 6.644 1.00 34.40 O ATOM 271 CB GLU A 18 6.585 9.626 6.137 1.00 54.20 C ATOM 272 CG GLU A 18 6.677 9.486 4.626 1.00 53.30 C ATOM 273 CD GLU A 18 8.106 9.339 4.140 1.00 12.00 C ATOM 274 OE1 GLU A 18 8.711 8.276 4.388 1.00 72.30 O ATOM 275 OE2 GLU A 18 8.619 10.289 3.511 1.00 65.20 O ATOM 0 H GLU A 18 4.967 7.813 5.700 1.00 10.00 H new ATOM 0 HA GLU A 18 5.168 9.767 7.746 1.00 62.00 H new ATOM 0 HB2 GLU A 18 7.100 10.537 6.441 1.00 54.20 H new ATOM 0 HB3 GLU A 18 7.110 8.792 6.604 1.00 54.20 H new ATOM 0 HG2 GLU A 18 6.098 8.618 4.309 1.00 53.30 H new ATOM 0 HG3 GLU A 18 6.225 10.359 4.156 1.00 53.30 H new ATOM 282 N GLU A 19 3.754 10.666 4.946 1.00 1.53 N ATOM 283 CA GLU A 19 3.015 11.735 4.287 1.00 64.40 C ATOM 284 C GLU A 19 1.744 12.080 5.057 1.00 41.10 C ATOM 285 O GLU A 19 1.406 13.252 5.222 1.00 74.30 O ATOM 286 CB GLU A 19 2.661 11.331 2.854 1.00 63.10 C ATOM 287 CG GLU A 19 3.780 11.586 1.857 1.00 4.40 C ATOM 288 CD GLU A 19 3.960 13.059 1.548 1.00 13.20 C ATOM 289 OE1 GLU A 19 4.324 13.819 2.470 1.00 64.20 O ATOM 290 OE2 GLU A 19 3.739 13.453 0.383 1.00 42.40 O ATOM 0 H GLU A 19 3.714 9.767 4.465 1.00 1.53 H new ATOM 0 HA GLU A 19 3.653 12.618 4.263 1.00 64.40 H new ATOM 0 HB2 GLU A 19 2.404 10.272 2.837 1.00 63.10 H new ATOM 0 HB3 GLU A 19 1.773 11.879 2.539 1.00 63.10 H new ATOM 0 HG2 GLU A 19 4.713 11.185 2.253 1.00 4.40 H new ATOM 0 HG3 GLU A 19 3.568 11.048 0.933 1.00 4.40 H new ATOM 297 N ASP A 20 1.044 11.052 5.528 1.00 23.50 N ATOM 298 CA ASP A 20 -0.191 11.248 6.281 1.00 12.20 C ATOM 299 C ASP A 20 0.032 12.190 7.461 1.00 35.30 C ATOM 300 O ASP A 20 -0.821 13.021 7.775 1.00 53.30 O ATOM 301 CB ASP A 20 -0.727 9.905 6.781 1.00 24.10 C ATOM 302 CG ASP A 20 -2.200 9.969 7.139 1.00 13.40 C ATOM 303 OD1 ASP A 20 -3.021 10.213 6.232 1.00 54.50 O ATOM 304 OD2 ASP A 20 -2.529 9.773 8.328 1.00 13.20 O ATOM 0 H ASP A 20 1.310 10.076 5.402 1.00 23.50 H new ATOM 0 HA ASP A 20 -0.925 11.699 5.613 1.00 12.20 H new ATOM 0 HB2 ASP A 20 -0.575 9.147 6.013 1.00 24.10 H new ATOM 0 HB3 ASP A 20 -0.156 9.592 7.655 1.00 24.10 H new ATOM 309 N LYS A 21 1.182 12.054 8.110 1.00 12.30 N ATOM 310 CA LYS A 21 1.519 12.894 9.255 1.00 64.10 C ATOM 311 C LYS A 21 1.906 14.302 8.807 1.00 41.00 C ATOM 312 O LYS A 21 1.837 15.251 9.588 1.00 20.10 O ATOM 313 CB LYS A 21 2.662 12.267 10.055 1.00 70.30 C ATOM 314 CG LYS A 21 2.193 11.280 11.112 1.00 2.50 C ATOM 315 CD LYS A 21 3.167 10.122 11.263 1.00 65.40 C ATOM 316 CE LYS A 21 2.878 9.311 12.516 1.00 74.10 C ATOM 317 NZ LYS A 21 3.098 10.106 13.755 1.00 23.30 N ATOM 0 H LYS A 21 1.898 11.370 7.864 1.00 12.30 H new ATOM 0 HA LYS A 21 0.637 12.967 9.891 1.00 64.10 H new ATOM 0 HB2 LYS A 21 3.339 11.758 9.369 1.00 70.30 H new ATOM 0 HB3 LYS A 21 3.234 13.059 10.538 1.00 70.30 H new ATOM 0 HG2 LYS A 21 2.084 11.793 12.068 1.00 2.50 H new ATOM 0 HG3 LYS A 21 1.209 10.897 10.842 1.00 2.50 H new ATOM 0 HD2 LYS A 21 3.104 9.476 10.387 1.00 65.40 H new ATOM 0 HD3 LYS A 21 4.186 10.506 11.304 1.00 65.40 H new ATOM 0 HE2 LYS A 21 1.847 8.957 12.490 1.00 74.10 H new ATOM 0 HE3 LYS A 21 3.517 8.428 12.533 1.00 74.10 H new ATOM 0 HZ1 LYS A 21 3.242 9.463 14.559 1.00 23.30 H new ATOM 0 HZ2 LYS A 21 3.939 10.707 13.637 1.00 23.30 H new ATOM 0 HZ3 LYS A 21 2.267 10.705 13.935 1.00 23.30 H new ATOM 331 N ALA A 22 2.318 14.432 7.548 1.00 60.30 N ATOM 332 CA ALA A 22 2.718 15.724 7.005 1.00 13.20 C ATOM 333 C ALA A 22 1.567 16.399 6.263 1.00 73.10 C ATOM 334 O ALA A 22 1.788 17.221 5.374 1.00 70.40 O ATOM 335 CB ALA A 22 3.915 15.558 6.082 1.00 75.10 C ATOM 0 H ALA A 22 2.383 13.658 6.887 1.00 60.30 H new ATOM 0 HA ALA A 22 2.998 16.366 7.840 1.00 13.20 H new ATOM 0 HB1 ALA A 22 4.204 16.530 5.683 1.00 75.10 H new ATOM 0 HB2 ALA A 22 4.749 15.132 6.640 1.00 75.10 H new ATOM 0 HB3 ALA A 22 3.651 14.892 5.260 1.00 75.10 H new ATOM 341 N LYS A 23 0.337 16.049 6.632 1.00 73.10 N ATOM 342 CA LYS A 23 -0.845 16.626 5.999 1.00 64.40 C ATOM 343 C LYS A 23 -0.823 16.401 4.490 1.00 50.30 C ATOM 344 O LYS A 23 -1.174 17.291 3.714 1.00 4.45 O ATOM 345 CB LYS A 23 -0.931 18.123 6.303 1.00 0.33 C ATOM 346 CG LYS A 23 -1.344 18.431 7.733 1.00 14.40 C ATOM 347 CD LYS A 23 -2.813 18.818 7.820 1.00 51.20 C ATOM 348 CE LYS A 23 -3.493 18.165 9.015 1.00 11.50 C ATOM 349 NZ LYS A 23 -4.216 19.161 9.853 1.00 10.40 N ATOM 0 H LYS A 23 0.134 15.370 7.365 1.00 73.10 H new ATOM 0 HA LYS A 23 -1.724 16.127 6.407 1.00 64.40 H new ATOM 0 HB2 LYS A 23 0.038 18.581 6.107 1.00 0.33 H new ATOM 0 HB3 LYS A 23 -1.645 18.583 5.620 1.00 0.33 H new ATOM 0 HG2 LYS A 23 -1.159 17.560 8.362 1.00 14.40 H new ATOM 0 HG3 LYS A 23 -0.730 19.242 8.123 1.00 14.40 H new ATOM 0 HD2 LYS A 23 -2.901 19.902 7.898 1.00 51.20 H new ATOM 0 HD3 LYS A 23 -3.323 18.522 6.903 1.00 51.20 H new ATOM 0 HE2 LYS A 23 -4.194 17.407 8.665 1.00 11.50 H new ATOM 0 HE3 LYS A 23 -2.747 17.652 9.622 1.00 11.50 H new ATOM 0 HZ1 LYS A 23 -4.666 18.678 10.656 1.00 10.40 H new ATOM 0 HZ2 LYS A 23 -3.543 19.870 10.208 1.00 10.40 H new ATOM 0 HZ3 LYS A 23 -4.945 19.632 9.281 1.00 10.40 H new ATOM 363 N ASN A 24 -0.408 15.207 4.079 1.00 75.10 N ATOM 364 CA ASN A 24 -0.340 14.866 2.663 1.00 21.30 C ATOM 365 C ASN A 24 -1.322 13.747 2.325 1.00 61.40 C ATOM 366 O ASN A 24 -0.975 12.787 1.638 1.00 72.10 O ATOM 367 CB ASN A 24 1.082 14.448 2.284 1.00 4.11 C ATOM 368 CG ASN A 24 1.993 15.639 2.059 1.00 43.50 C ATOM 369 OD1 ASN A 24 2.437 16.284 3.010 1.00 62.50 O ATOM 370 ND2 ASN A 24 2.274 15.939 0.797 1.00 52.40 N ATOM 0 H ASN A 24 -0.114 14.459 4.707 1.00 75.10 H new ATOM 0 HA ASN A 24 -0.614 15.750 2.088 1.00 21.30 H new ATOM 0 HB2 ASN A 24 1.496 13.821 3.074 1.00 4.11 H new ATOM 0 HB3 ASN A 24 1.051 13.842 1.379 1.00 4.11 H new ATOM 0 HD21 ASN A 24 2.880 16.731 0.584 1.00 52.40 H new ATOM 0 HD22 ASN A 24 1.884 15.377 0.040 1.00 52.40 H new ATOM 377 N TYR A 25 -2.552 13.878 2.816 1.00 24.50 N ATOM 378 CA TYR A 25 -3.587 12.880 2.570 1.00 4.41 C ATOM 379 C TYR A 25 -3.732 12.593 1.078 1.00 12.00 C ATOM 380 O TYR A 25 -4.079 11.481 0.680 1.00 24.10 O ATOM 381 CB TYR A 25 -4.926 13.354 3.139 1.00 72.40 C ATOM 382 CG TYR A 25 -4.963 13.395 4.651 1.00 54.30 C ATOM 383 CD1 TYR A 25 -4.439 14.477 5.348 1.00 74.10 C ATOM 384 CD2 TYR A 25 -5.522 12.353 5.379 1.00 12.50 C ATOM 385 CE1 TYR A 25 -4.471 14.518 6.729 1.00 1.13 C ATOM 386 CE2 TYR A 25 -5.557 12.386 6.760 1.00 3.12 C ATOM 387 CZ TYR A 25 -5.031 13.470 7.430 1.00 63.40 C ATOM 388 OH TYR A 25 -5.066 13.508 8.805 1.00 25.50 O ATOM 0 H TYR A 25 -2.855 14.667 3.387 1.00 24.50 H new ATOM 0 HA TYR A 25 -3.289 11.958 3.070 1.00 4.41 H new ATOM 0 HB2 TYR A 25 -5.143 14.349 2.752 1.00 72.40 H new ATOM 0 HB3 TYR A 25 -5.717 12.694 2.783 1.00 72.40 H new ATOM 0 HD1 TYR A 25 -4.000 15.299 4.802 1.00 74.10 H new ATOM 0 HD2 TYR A 25 -5.936 11.503 4.857 1.00 12.50 H new ATOM 0 HE1 TYR A 25 -4.060 15.366 7.257 1.00 1.13 H new ATOM 0 HE2 TYR A 25 -5.994 11.567 7.312 1.00 3.12 H new ATOM 0 HH TYR A 25 -5.494 12.694 9.144 1.00 25.50 H new ATOM 398 N GLU A 26 -3.465 13.602 0.256 1.00 1.03 N ATOM 399 CA GLU A 26 -3.565 13.457 -1.191 1.00 45.20 C ATOM 400 C GLU A 26 -2.484 12.519 -1.720 1.00 32.10 C ATOM 401 O GLU A 26 -2.763 11.616 -2.507 1.00 14.20 O ATOM 402 CB GLU A 26 -3.451 14.823 -1.872 1.00 34.30 C ATOM 403 CG GLU A 26 -4.792 15.501 -2.101 1.00 64.40 C ATOM 404 CD GLU A 26 -5.268 15.382 -3.535 1.00 32.40 C ATOM 405 OE1 GLU A 26 -4.575 15.899 -4.436 1.00 44.00 O ATOM 406 OE2 GLU A 26 -6.334 14.769 -3.758 1.00 2.11 O ATOM 0 H GLU A 26 -3.177 14.530 0.568 1.00 1.03 H new ATOM 0 HA GLU A 26 -4.539 13.025 -1.421 1.00 45.20 H new ATOM 0 HB2 GLU A 26 -2.824 15.473 -1.262 1.00 34.30 H new ATOM 0 HB3 GLU A 26 -2.946 14.701 -2.830 1.00 34.30 H new ATOM 0 HG2 GLU A 26 -5.536 15.060 -1.437 1.00 64.40 H new ATOM 0 HG3 GLU A 26 -4.712 16.555 -1.835 1.00 64.40 H new ATOM 413 N GLU A 27 -1.250 12.741 -1.281 1.00 45.30 N ATOM 414 CA GLU A 27 -0.126 11.916 -1.710 1.00 3.13 C ATOM 415 C GLU A 27 -0.213 10.522 -1.099 1.00 63.50 C ATOM 416 O GLU A 27 0.113 9.527 -1.747 1.00 1.03 O ATOM 417 CB GLU A 27 1.197 12.576 -1.317 1.00 61.30 C ATOM 418 CG GLU A 27 2.353 12.214 -2.236 1.00 20.40 C ATOM 419 CD GLU A 27 2.858 13.401 -3.034 1.00 61.30 C ATOM 420 OE1 GLU A 27 2.068 13.969 -3.817 1.00 54.40 O ATOM 421 OE2 GLU A 27 4.043 13.763 -2.874 1.00 3.31 O ATOM 0 H GLU A 27 -1.002 13.485 -0.629 1.00 45.30 H new ATOM 0 HA GLU A 27 -0.168 11.822 -2.795 1.00 3.13 H new ATOM 0 HB2 GLU A 27 1.068 13.658 -1.318 1.00 61.30 H new ATOM 0 HB3 GLU A 27 1.450 12.286 -0.297 1.00 61.30 H new ATOM 0 HG2 GLU A 27 3.171 11.806 -1.642 1.00 20.40 H new ATOM 0 HG3 GLU A 27 2.035 11.429 -2.922 1.00 20.40 H new ATOM 428 N ALA A 28 -0.655 10.456 0.153 1.00 12.30 N ATOM 429 CA ALA A 28 -0.786 9.183 0.852 1.00 62.10 C ATOM 430 C ALA A 28 -1.728 8.242 0.109 1.00 13.20 C ATOM 431 O ALA A 28 -1.557 7.024 0.142 1.00 64.50 O ATOM 432 CB ALA A 28 -1.278 9.411 2.274 1.00 74.10 C ATOM 0 H ALA A 28 -0.928 11.270 0.704 1.00 12.30 H new ATOM 0 HA ALA A 28 0.197 8.714 0.889 1.00 62.10 H new ATOM 0 HB1 ALA A 28 -1.371 8.453 2.785 1.00 74.10 H new ATOM 0 HB2 ALA A 28 -0.566 10.039 2.809 1.00 74.10 H new ATOM 0 HB3 ALA A 28 -2.249 9.905 2.248 1.00 74.10 H new ATOM 438 N LEU A 29 -2.723 8.815 -0.558 1.00 22.50 N ATOM 439 CA LEU A 29 -3.694 8.029 -1.309 1.00 22.40 C ATOM 440 C LEU A 29 -3.037 7.354 -2.510 1.00 71.40 C ATOM 441 O LEU A 29 -3.270 6.174 -2.775 1.00 61.50 O ATOM 442 CB LEU A 29 -4.849 8.916 -1.778 1.00 71.00 C ATOM 443 CG LEU A 29 -6.092 8.163 -2.255 1.00 43.10 C ATOM 444 CD1 LEU A 29 -6.865 7.606 -1.071 1.00 44.40 C ATOM 445 CD2 LEU A 29 -6.977 9.074 -3.092 1.00 44.20 C ATOM 0 H LEU A 29 -2.878 9.822 -0.594 1.00 22.50 H new ATOM 0 HA LEU A 29 -4.085 7.255 -0.648 1.00 22.40 H new ATOM 0 HB2 LEU A 29 -5.135 9.577 -0.960 1.00 71.00 H new ATOM 0 HB3 LEU A 29 -4.493 9.550 -2.590 1.00 71.00 H new ATOM 0 HG LEU A 29 -5.772 7.328 -2.878 1.00 43.10 H new ATOM 0 HD11 LEU A 29 -7.746 7.074 -1.430 1.00 44.40 H new ATOM 0 HD12 LEU A 29 -6.229 6.920 -0.512 1.00 44.40 H new ATOM 0 HD13 LEU A 29 -7.175 8.425 -0.421 1.00 44.40 H new ATOM 0 HD21 LEU A 29 -7.857 8.522 -3.423 1.00 44.20 H new ATOM 0 HD22 LEU A 29 -7.289 9.929 -2.492 1.00 44.20 H new ATOM 0 HD23 LEU A 29 -6.420 9.424 -3.961 1.00 44.20 H new ATOM 457 N ARG A 30 -2.218 8.110 -3.231 1.00 24.30 N ATOM 458 CA ARG A 30 -1.528 7.586 -4.405 1.00 72.40 C ATOM 459 C ARG A 30 -0.397 6.646 -3.997 1.00 74.40 C ATOM 460 O ARG A 30 -0.090 5.685 -4.703 1.00 33.00 O ATOM 461 CB ARG A 30 -0.973 8.732 -5.251 1.00 40.20 C ATOM 462 CG ARG A 30 -1.979 9.301 -6.239 1.00 22.40 C ATOM 463 CD ARG A 30 -3.166 9.930 -5.526 1.00 33.20 C ATOM 464 NE ARG A 30 -4.084 10.579 -6.460 1.00 63.00 N ATOM 465 CZ ARG A 30 -3.873 11.781 -6.992 1.00 43.00 C ATOM 466 NH1 ARG A 30 -2.779 12.468 -6.684 1.00 31.30 N ATOM 467 NH2 ARG A 30 -4.759 12.298 -7.833 1.00 12.20 N ATOM 0 H ARG A 30 -2.015 9.088 -3.024 1.00 24.30 H new ATOM 0 HA ARG A 30 -2.249 7.023 -4.997 1.00 72.40 H new ATOM 0 HB2 ARG A 30 -0.634 9.530 -4.590 1.00 40.20 H new ATOM 0 HB3 ARG A 30 -0.099 8.379 -5.798 1.00 40.20 H new ATOM 0 HG2 ARG A 30 -1.492 10.048 -6.866 1.00 22.40 H new ATOM 0 HG3 ARG A 30 -2.329 8.509 -6.901 1.00 22.40 H new ATOM 0 HD2 ARG A 30 -3.701 9.163 -4.966 1.00 33.20 H new ATOM 0 HD3 ARG A 30 -2.808 10.662 -4.802 1.00 33.20 H new ATOM 0 HE ARG A 30 -4.936 10.082 -6.719 1.00 63.00 H new ATOM 0 HH11 ARG A 30 -2.095 12.075 -6.037 1.00 31.30 H new ATOM 0 HH12 ARG A 30 -2.622 13.388 -7.095 1.00 31.30 H new ATOM 0 HH21 ARG A 30 -5.601 11.775 -8.072 1.00 12.20 H new ATOM 0 HH22 ARG A 30 -4.598 13.219 -8.241 1.00 12.20 H new ATOM 481 N LEU A 31 0.222 6.932 -2.856 1.00 4.31 N ATOM 482 CA LEU A 31 1.320 6.113 -2.356 1.00 1.43 C ATOM 483 C LEU A 31 0.814 4.757 -1.872 1.00 32.10 C ATOM 484 O LEU A 31 1.389 3.718 -2.196 1.00 31.20 O ATOM 485 CB LEU A 31 2.047 6.837 -1.220 1.00 30.00 C ATOM 486 CG LEU A 31 3.305 7.600 -1.639 1.00 35.30 C ATOM 487 CD1 LEU A 31 4.403 6.633 -2.050 1.00 73.20 C ATOM 488 CD2 LEU A 31 2.991 8.566 -2.771 1.00 34.40 C ATOM 0 H LEU A 31 -0.018 7.725 -2.261 1.00 4.31 H new ATOM 0 HA LEU A 31 2.018 5.946 -3.176 1.00 1.43 H new ATOM 0 HB2 LEU A 31 1.354 7.537 -0.754 1.00 30.00 H new ATOM 0 HB3 LEU A 31 2.321 6.105 -0.460 1.00 30.00 H new ATOM 0 HG LEU A 31 3.658 8.177 -0.784 1.00 35.30 H new ATOM 0 HD11 LEU A 31 5.290 7.194 -2.345 1.00 73.20 H new ATOM 0 HD12 LEU A 31 4.648 5.982 -1.211 1.00 73.20 H new ATOM 0 HD13 LEU A 31 4.060 6.029 -2.890 1.00 73.20 H new ATOM 0 HD21 LEU A 31 3.898 9.100 -3.056 1.00 34.40 H new ATOM 0 HD22 LEU A 31 2.612 8.010 -3.629 1.00 34.40 H new ATOM 0 HD23 LEU A 31 2.238 9.281 -2.441 1.00 34.40 H new ATOM 500 N TYR A 32 -0.264 4.777 -1.095 1.00 55.50 N ATOM 501 CA TYR A 32 -0.846 3.548 -0.565 1.00 62.30 C ATOM 502 C TYR A 32 -1.441 2.699 -1.684 1.00 52.40 C ATOM 503 O TYR A 32 -1.303 1.476 -1.690 1.00 4.45 O ATOM 504 CB TYR A 32 -1.922 3.875 0.473 1.00 5.22 C ATOM 505 CG TYR A 32 -1.444 3.747 1.902 1.00 51.00 C ATOM 506 CD1 TYR A 32 -1.136 2.503 2.442 1.00 62.30 C ATOM 507 CD2 TYR A 32 -1.301 4.866 2.711 1.00 23.30 C ATOM 508 CE1 TYR A 32 -0.700 2.381 3.747 1.00 41.20 C ATOM 509 CE2 TYR A 32 -0.864 4.753 4.017 1.00 20.40 C ATOM 510 CZ TYR A 32 -0.565 3.508 4.530 1.00 62.30 C ATOM 511 OH TYR A 32 -0.131 3.390 5.830 1.00 34.50 O ATOM 0 H TYR A 32 -0.752 5.629 -0.818 1.00 55.50 H new ATOM 0 HA TYR A 32 -0.051 2.976 -0.086 1.00 62.30 H new ATOM 0 HB2 TYR A 32 -2.277 4.892 0.307 1.00 5.22 H new ATOM 0 HB3 TYR A 32 -2.773 3.211 0.323 1.00 5.22 H new ATOM 0 HD1 TYR A 32 -1.239 1.618 1.831 1.00 62.30 H new ATOM 0 HD2 TYR A 32 -1.535 5.842 2.313 1.00 23.30 H new ATOM 0 HE1 TYR A 32 -0.466 1.408 4.152 1.00 41.20 H new ATOM 0 HE2 TYR A 32 -0.757 5.634 4.632 1.00 20.40 H new ATOM 0 HH TYR A 32 -0.090 4.278 6.243 1.00 34.50 H new ATOM 521 N GLN A 33 -2.104 3.356 -2.632 1.00 5.23 N ATOM 522 CA GLN A 33 -2.721 2.661 -3.755 1.00 14.10 C ATOM 523 C GLN A 33 -1.681 1.884 -4.556 1.00 53.20 C ATOM 524 O GLN A 33 -1.982 0.838 -5.134 1.00 52.20 O ATOM 525 CB GLN A 33 -3.439 3.660 -4.666 1.00 33.20 C ATOM 526 CG GLN A 33 -4.851 3.991 -4.212 1.00 42.40 C ATOM 527 CD GLN A 33 -5.843 2.894 -4.546 1.00 72.50 C ATOM 528 OE1 GLN A 33 -6.339 2.810 -5.669 1.00 21.20 O ATOM 529 NE2 GLN A 33 -6.138 2.045 -3.567 1.00 42.50 N ATOM 0 H GLN A 33 -2.227 4.368 -2.644 1.00 5.23 H new ATOM 0 HA GLN A 33 -3.447 1.953 -3.356 1.00 14.10 H new ATOM 0 HB2 GLN A 33 -2.856 4.580 -4.713 1.00 33.20 H new ATOM 0 HB3 GLN A 33 -3.477 3.255 -5.677 1.00 33.20 H new ATOM 0 HG2 GLN A 33 -4.852 4.161 -3.135 1.00 42.40 H new ATOM 0 HG3 GLN A 33 -5.171 4.921 -4.682 1.00 42.40 H new ATOM 0 HE21 GLN A 33 -5.703 2.152 -2.651 1.00 42.50 H new ATOM 0 HE22 GLN A 33 -6.799 1.286 -3.732 1.00 42.50 H new ATOM 538 N HIS A 34 -0.458 2.401 -4.590 1.00 62.20 N ATOM 539 CA HIS A 34 0.625 1.755 -5.323 1.00 62.30 C ATOM 540 C HIS A 34 1.050 0.458 -4.642 1.00 32.10 C ATOM 541 O HIS A 34 1.294 -0.550 -5.304 1.00 72.30 O ATOM 542 CB HIS A 34 1.824 2.700 -5.439 1.00 31.30 C ATOM 543 CG HIS A 34 1.809 3.536 -6.680 1.00 54.40 C ATOM 544 ND1 HIS A 34 2.840 3.542 -7.596 1.00 35.40 N ATOM 545 CD2 HIS A 34 0.879 4.397 -7.158 1.00 23.30 C ATOM 546 CE1 HIS A 34 2.546 4.371 -8.582 1.00 34.10 C ATOM 547 NE2 HIS A 34 1.362 4.902 -8.340 1.00 32.10 N ATOM 0 H HIS A 34 -0.191 3.265 -4.119 1.00 62.20 H new ATOM 0 HA HIS A 34 0.260 1.515 -6.322 1.00 62.30 H new ATOM 0 HB2 HIS A 34 1.844 3.356 -4.569 1.00 31.30 H new ATOM 0 HB3 HIS A 34 2.742 2.113 -5.417 1.00 31.30 H new ATOM 0 HD2 HIS A 34 -0.066 4.641 -6.696 1.00 23.30 H new ATOM 0 HE1 HIS A 34 3.168 4.579 -9.440 1.00 34.10 H new ATOM 0 HE2 HIS A 34 0.883 5.578 -8.935 1.00 32.10 H new ATOM 556 N ALA A 35 1.138 0.491 -3.316 1.00 65.10 N ATOM 557 CA ALA A 35 1.535 -0.682 -2.548 1.00 2.25 C ATOM 558 C ALA A 35 0.522 -1.811 -2.702 1.00 45.50 C ATOM 559 O ALA A 35 0.877 -2.988 -2.642 1.00 71.40 O ATOM 560 CB ALA A 35 1.702 -0.318 -1.080 1.00 72.00 C ATOM 0 H ALA A 35 0.940 1.317 -2.752 1.00 65.10 H new ATOM 0 HA ALA A 35 2.491 -1.033 -2.937 1.00 2.25 H new ATOM 0 HB1 ALA A 35 1.999 -1.203 -0.517 1.00 72.00 H new ATOM 0 HB2 ALA A 35 2.470 0.450 -0.980 1.00 72.00 H new ATOM 0 HB3 ALA A 35 0.758 0.061 -0.689 1.00 72.00 H new ATOM 566 N VAL A 36 -0.740 -1.445 -2.900 1.00 22.30 N ATOM 567 CA VAL A 36 -1.805 -2.429 -3.061 1.00 24.30 C ATOM 568 C VAL A 36 -1.599 -3.265 -4.321 1.00 54.30 C ATOM 569 O VAL A 36 -1.661 -4.493 -4.280 1.00 54.10 O ATOM 570 CB VAL A 36 -3.187 -1.754 -3.128 1.00 34.30 C ATOM 571 CG1 VAL A 36 -4.293 -2.797 -3.095 1.00 52.00 C ATOM 572 CG2 VAL A 36 -3.350 -0.756 -1.992 1.00 72.10 C ATOM 0 H VAL A 36 -1.050 -0.475 -2.953 1.00 22.30 H new ATOM 0 HA VAL A 36 -1.767 -3.080 -2.187 1.00 24.30 H new ATOM 0 HB VAL A 36 -3.260 -1.211 -4.070 1.00 34.30 H new ATOM 0 HG11 VAL A 36 -5.262 -2.301 -3.143 1.00 52.00 H new ATOM 0 HG12 VAL A 36 -4.186 -3.468 -3.947 1.00 52.00 H new ATOM 0 HG13 VAL A 36 -4.225 -3.371 -2.171 1.00 52.00 H new ATOM 0 HG21 VAL A 36 -4.333 -0.289 -2.056 1.00 72.10 H new ATOM 0 HG22 VAL A 36 -3.255 -1.273 -1.037 1.00 72.10 H new ATOM 0 HG23 VAL A 36 -2.579 0.010 -2.068 1.00 72.10 H new ATOM 582 N GLU A 37 -1.355 -2.590 -5.440 1.00 53.10 N ATOM 583 CA GLU A 37 -1.143 -3.270 -6.712 1.00 70.50 C ATOM 584 C GLU A 37 0.186 -4.021 -6.716 1.00 33.10 C ATOM 585 O GLU A 37 0.324 -5.053 -7.374 1.00 14.40 O ATOM 586 CB GLU A 37 -1.174 -2.263 -7.863 1.00 74.20 C ATOM 587 CG GLU A 37 -0.158 -1.142 -7.719 1.00 42.50 C ATOM 588 CD GLU A 37 0.211 -0.515 -9.049 1.00 34.20 C ATOM 589 OE1 GLU A 37 0.877 -1.190 -9.860 1.00 75.20 O ATOM 590 OE2 GLU A 37 -0.168 0.653 -9.279 1.00 61.40 O ATOM 0 H GLU A 37 -1.299 -1.573 -5.491 1.00 53.10 H new ATOM 0 HA GLU A 37 -1.948 -3.993 -6.846 1.00 70.50 H new ATOM 0 HB2 GLU A 37 -0.991 -2.789 -8.800 1.00 74.20 H new ATOM 0 HB3 GLU A 37 -2.172 -1.831 -7.930 1.00 74.20 H new ATOM 0 HG2 GLU A 37 -0.561 -0.374 -7.059 1.00 42.50 H new ATOM 0 HG3 GLU A 37 0.742 -1.531 -7.243 1.00 42.50 H new ATOM 597 N TYR A 38 1.160 -3.497 -5.980 1.00 73.00 N ATOM 598 CA TYR A 38 2.477 -4.118 -5.901 1.00 4.11 C ATOM 599 C TYR A 38 2.410 -5.450 -5.160 1.00 44.10 C ATOM 600 O TYR A 38 3.111 -6.400 -5.507 1.00 22.30 O ATOM 601 CB TYR A 38 3.465 -3.179 -5.205 1.00 44.20 C ATOM 602 CG TYR A 38 4.361 -2.425 -6.162 1.00 11.10 C ATOM 603 CD1 TYR A 38 5.323 -3.090 -6.911 1.00 73.20 C ATOM 604 CD2 TYR A 38 4.244 -1.050 -6.314 1.00 54.10 C ATOM 605 CE1 TYR A 38 6.144 -2.405 -7.786 1.00 44.20 C ATOM 606 CE2 TYR A 38 5.062 -0.358 -7.188 1.00 73.40 C ATOM 607 CZ TYR A 38 6.010 -1.040 -7.921 1.00 65.00 C ATOM 608 OH TYR A 38 6.824 -0.355 -8.793 1.00 32.10 O ATOM 0 H TYR A 38 1.062 -2.644 -5.430 1.00 73.00 H new ATOM 0 HA TYR A 38 2.823 -4.309 -6.917 1.00 4.11 H new ATOM 0 HB2 TYR A 38 2.908 -2.463 -4.601 1.00 44.20 H new ATOM 0 HB3 TYR A 38 4.085 -3.759 -4.521 1.00 44.20 H new ATOM 0 HD1 TYR A 38 5.431 -4.160 -6.808 1.00 73.20 H new ATOM 0 HD2 TYR A 38 3.503 -0.513 -5.741 1.00 54.10 H new ATOM 0 HE1 TYR A 38 6.887 -2.937 -8.361 1.00 44.20 H new ATOM 0 HE2 TYR A 38 4.959 0.712 -7.296 1.00 73.40 H new ATOM 0 HH TYR A 38 6.599 0.599 -8.769 1.00 32.10 H new ATOM 618 N PHE A 39 1.564 -5.512 -4.137 1.00 51.40 N ATOM 619 CA PHE A 39 1.408 -6.728 -3.347 1.00 33.40 C ATOM 620 C PHE A 39 0.625 -7.784 -4.119 1.00 73.10 C ATOM 621 O PHE A 39 0.980 -8.964 -4.110 1.00 45.40 O ATOM 622 CB PHE A 39 0.699 -6.415 -2.028 1.00 65.40 C ATOM 623 CG PHE A 39 1.634 -6.010 -0.924 1.00 10.00 C ATOM 624 CD1 PHE A 39 2.616 -6.880 -0.476 1.00 1.12 C ATOM 625 CD2 PHE A 39 1.532 -4.760 -0.335 1.00 54.30 C ATOM 626 CE1 PHE A 39 3.477 -6.509 0.539 1.00 13.50 C ATOM 627 CE2 PHE A 39 2.390 -4.384 0.680 1.00 62.10 C ATOM 628 CZ PHE A 39 3.364 -5.260 1.118 1.00 24.40 C ATOM 0 H PHE A 39 0.976 -4.735 -3.836 1.00 51.40 H new ATOM 0 HA PHE A 39 2.402 -7.123 -3.135 1.00 33.40 H new ATOM 0 HB2 PHE A 39 -0.022 -5.615 -2.194 1.00 65.40 H new ATOM 0 HB3 PHE A 39 0.135 -7.292 -1.711 1.00 65.40 H new ATOM 0 HD1 PHE A 39 2.709 -7.858 -0.925 1.00 1.12 H new ATOM 0 HD2 PHE A 39 0.772 -4.071 -0.674 1.00 54.30 H new ATOM 0 HE1 PHE A 39 4.238 -7.195 0.880 1.00 13.50 H new ATOM 0 HE2 PHE A 39 2.299 -3.407 1.130 1.00 62.10 H new ATOM 0 HZ PHE A 39 4.036 -4.969 1.912 1.00 24.40 H new ATOM 638 N LEU A 40 -0.442 -7.356 -4.785 1.00 4.41 N ATOM 639 CA LEU A 40 -1.276 -8.266 -5.561 1.00 52.20 C ATOM 640 C LEU A 40 -0.469 -8.939 -6.667 1.00 72.30 C ATOM 641 O LEU A 40 -0.559 -10.150 -6.864 1.00 54.20 O ATOM 642 CB LEU A 40 -2.462 -7.513 -6.167 1.00 74.30 C ATOM 643 CG LEU A 40 -3.590 -7.187 -5.187 1.00 65.50 C ATOM 644 CD1 LEU A 40 -4.458 -6.062 -5.729 1.00 1.20 C ATOM 645 CD2 LEU A 40 -4.431 -8.426 -4.913 1.00 14.40 C ATOM 0 H LEU A 40 -0.750 -6.384 -4.803 1.00 4.41 H new ATOM 0 HA LEU A 40 -1.649 -9.038 -4.888 1.00 52.20 H new ATOM 0 HB2 LEU A 40 -2.098 -6.582 -6.601 1.00 74.30 H new ATOM 0 HB3 LEU A 40 -2.871 -8.107 -6.984 1.00 74.30 H new ATOM 0 HG LEU A 40 -3.147 -6.857 -4.248 1.00 65.50 H new ATOM 0 HD11 LEU A 40 -5.255 -5.843 -5.019 1.00 1.20 H new ATOM 0 HD12 LEU A 40 -3.848 -5.170 -5.876 1.00 1.20 H new ATOM 0 HD13 LEU A 40 -4.893 -6.365 -6.681 1.00 1.20 H new ATOM 0 HD21 LEU A 40 -5.229 -8.177 -4.214 1.00 14.40 H new ATOM 0 HD22 LEU A 40 -4.865 -8.785 -5.846 1.00 14.40 H new ATOM 0 HD23 LEU A 40 -3.802 -9.205 -4.482 1.00 14.40 H new ATOM 657 N HIS A 41 0.315 -8.146 -7.388 1.00 30.20 N ATOM 658 CA HIS A 41 1.136 -8.666 -8.476 1.00 61.40 C ATOM 659 C HIS A 41 2.230 -9.586 -7.944 1.00 35.20 C ATOM 660 O HIS A 41 2.648 -10.520 -8.622 1.00 23.50 O ATOM 661 CB HIS A 41 1.762 -7.515 -9.266 1.00 55.30 C ATOM 662 CG HIS A 41 2.267 -7.920 -10.610 1.00 25.10 C ATOM 663 ND1 HIS A 41 1.783 -7.386 -11.790 1.00 65.10 N ATOM 664 CD2 HIS A 41 3.220 -8.812 -10.970 1.00 43.10 C ATOM 665 CE1 HIS A 41 2.417 -7.934 -12.810 1.00 72.50 C ATOM 666 NE2 HIS A 41 3.294 -8.801 -12.340 1.00 21.20 N ATOM 0 H HIS A 41 0.400 -7.140 -7.239 1.00 30.20 H new ATOM 0 HA HIS A 41 0.491 -9.244 -9.138 1.00 61.40 H new ATOM 0 HB2 HIS A 41 1.022 -6.724 -9.388 1.00 55.30 H new ATOM 0 HB3 HIS A 41 2.586 -7.095 -8.689 1.00 55.30 H new ATOM 0 HD2 HIS A 41 3.812 -9.420 -10.302 1.00 43.10 H new ATOM 0 HE1 HIS A 41 2.247 -7.711 -13.853 1.00 72.50 H new ATOM 0 HE2 HIS A 41 3.925 -9.371 -12.904 1.00 21.20 H new ATOM 675 N ALA A 42 2.692 -9.309 -6.729 1.00 32.10 N ATOM 676 CA ALA A 42 3.739 -10.110 -6.109 1.00 61.40 C ATOM 677 C ALA A 42 3.237 -11.510 -5.783 1.00 11.40 C ATOM 678 O ALA A 42 3.981 -12.490 -5.883 1.00 13.30 O ATOM 679 CB ALA A 42 4.253 -9.429 -4.851 1.00 22.20 C ATOM 0 H ALA A 42 2.357 -8.535 -6.155 1.00 32.10 H new ATOM 0 HA ALA A 42 4.560 -10.201 -6.821 1.00 61.40 H new ATOM 0 HB1 ALA A 42 5.035 -10.040 -4.400 1.00 22.20 H new ATOM 0 HB2 ALA A 42 4.660 -8.451 -5.107 1.00 22.20 H new ATOM 0 HB3 ALA A 42 3.434 -9.307 -4.143 1.00 22.20 H new ATOM 685 N ILE A 43 1.970 -11.600 -5.393 1.00 40.50 N ATOM 686 CA ILE A 43 1.368 -12.890 -5.050 1.00 64.20 C ATOM 687 C ILE A 43 1.002 -13.680 -6.304 1.00 45.30 C ATOM 688 O ILE A 43 1.261 -14.880 -6.393 1.00 23.40 O ATOM 689 CB ILE A 43 0.107 -12.710 -4.184 1.00 34.30 C ATOM 690 CG1 ILE A 43 0.404 -11.790 -2.994 1.00 24.50 C ATOM 691 CG2 ILE A 43 -0.408 -14.050 -3.705 1.00 13.40 C ATOM 692 CD1 ILE A 43 -0.799 -11.000 -2.523 1.00 12.10 C ATOM 0 H ILE A 43 1.341 -10.802 -5.306 1.00 40.50 H new ATOM 0 HA ILE A 43 2.115 -13.444 -4.481 1.00 64.20 H new ATOM 0 HB ILE A 43 -0.667 -12.247 -4.795 1.00 34.30 H new ATOM 0 HG12 ILE A 43 0.780 -12.391 -2.166 1.00 24.50 H new ATOM 0 HG13 ILE A 43 1.198 -11.096 -3.271 1.00 24.50 H new ATOM 0 HG21 ILE A 43 -1.299 -13.900 -3.095 1.00 13.40 H new ATOM 0 HG22 ILE A 43 -0.657 -14.672 -4.564 1.00 13.40 H new ATOM 0 HG23 ILE A 43 0.360 -14.544 -3.110 1.00 13.40 H new ATOM 0 HD11 ILE A 43 -0.514 -10.372 -1.679 1.00 12.10 H new ATOM 0 HD12 ILE A 43 -1.163 -10.372 -3.336 1.00 12.10 H new ATOM 0 HD13 ILE A 43 -1.587 -11.687 -2.214 1.00 12.10 H new ATOM 704 N LYS A 44 0.393 -12.990 -7.269 1.00 15.20 N ATOM 705 CA LYS A 44 -0.012 -13.630 -8.516 1.00 10.00 C ATOM 706 C LYS A 44 1.190 -14.230 -9.242 1.00 0.23 C ATOM 707 O LYS A 44 1.189 -15.410 -9.598 1.00 73.40 O ATOM 708 CB LYS A 44 -0.720 -12.620 -9.423 1.00 45.30 C ATOM 709 CG LYS A 44 -1.890 -13.210 -10.190 1.00 35.00 C ATOM 710 CD LYS A 44 -2.042 -12.570 -11.560 1.00 13.00 C ATOM 711 CE LYS A 44 -2.243 -13.610 -12.650 1.00 64.00 C ATOM 712 NZ LYS A 44 -3.083 -13.090 -13.760 1.00 63.20 N ATOM 0 H LYS A 44 0.172 -11.996 -7.210 1.00 15.20 H new ATOM 0 HA LYS A 44 -0.702 -14.438 -8.272 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -1.076 -11.787 -8.817 1.00 45.30 H new ATOM 0 HB3 LYS A 44 0.001 -12.213 -10.132 1.00 45.30 H new ATOM 0 HG2 LYS A 44 -1.746 -14.284 -10.304 1.00 35.00 H new ATOM 0 HG3 LYS A 44 -2.808 -13.070 -9.619 1.00 35.00 H new ATOM 0 HD2 LYS A 44 -2.891 -11.886 -11.549 1.00 13.00 H new ATOM 0 HD3 LYS A 44 -1.156 -11.976 -11.784 1.00 13.00 H new ATOM 0 HE2 LYS A 44 -1.274 -13.918 -13.041 1.00 64.00 H new ATOM 0 HE3 LYS A 44 -2.712 -14.497 -12.224 1.00 64.00 H new ATOM 0 HZ1 LYS A 44 -3.197 -13.828 -14.484 1.00 63.20 H new ATOM 0 HZ2 LYS A 44 -4.017 -12.819 -13.391 1.00 63.20 H new ATOM 0 HZ3 LYS A 44 -2.623 -12.259 -14.183 1.00 63.20 H new ATOM 726 N TYR A 45 2.214 -13.410 -9.457 1.00 1.34 N ATOM 727 CA TYR A 45 3.421 -13.860 -10.140 1.00 13.20 C ATOM 728 C TYR A 45 4.292 -14.700 -9.211 1.00 24.50 C ATOM 729 O TYR A 45 4.510 -15.880 -9.452 1.00 11.50 O ATOM 730 CB TYR A 45 4.216 -12.660 -10.650 1.00 4.31 C ATOM 731 CG TYR A 45 3.791 -12.200 -12.030 1.00 24.40 C ATOM 732 CD1 TYR A 45 2.560 -11.590 -12.230 1.00 32.20 C ATOM 733 CD2 TYR A 45 4.623 -12.370 -13.130 1.00 21.10 C ATOM 734 CE1 TYR A 45 2.168 -11.170 -13.490 1.00 44.10 C ATOM 735 CE2 TYR A 45 4.239 -11.950 -14.390 1.00 12.30 C ATOM 736 CZ TYR A 45 3.010 -11.350 -14.560 1.00 1.23 C ATOM 737 OH TYR A 45 2.624 -10.930 -15.810 1.00 74.20 O ATOM 0 H TYR A 45 2.232 -12.432 -9.168 1.00 1.34 H new ATOM 0 HA TYR A 45 3.121 -14.479 -10.986 1.00 13.20 H new ATOM 0 HB2 TYR A 45 4.102 -11.833 -9.948 1.00 4.31 H new ATOM 0 HB3 TYR A 45 5.275 -12.917 -10.671 1.00 4.31 H new ATOM 0 HD1 TYR A 45 1.898 -11.441 -11.390 1.00 32.20 H new ATOM 0 HD2 TYR A 45 5.587 -12.839 -12.998 1.00 21.10 H new ATOM 0 HE1 TYR A 45 1.204 -10.703 -13.631 1.00 44.10 H new ATOM 0 HE2 TYR A 45 4.897 -12.091 -15.235 1.00 12.30 H new ATOM 0 HH TYR A 45 3.333 -11.130 -16.456 1.00 74.20 H new ATOM 747 N GLU A 46 4.789 -14.070 -8.150 1.00 3.33 N ATOM 748 CA GLU A 46 5.637 -14.760 -7.184 1.00 41.20 C ATOM 749 C GLU A 46 4.805 -15.340 -6.045 1.00 0.24 C ATOM 750 O GLU A 46 4.730 -14.760 -4.961 1.00 12.20 O ATOM 751 CB GLU A 46 6.691 -13.800 -6.626 1.00 73.20 C ATOM 752 CG GLU A 46 7.858 -13.560 -7.570 1.00 72.30 C ATOM 753 CD GLU A 46 9.096 -14.340 -7.175 1.00 25.20 C ATOM 754 OE1 GLU A 46 9.680 -14.030 -6.116 1.00 32.10 O ATOM 755 OE2 GLU A 46 9.482 -15.260 -7.925 1.00 30.30 O ATOM 0 H GLU A 46 4.620 -13.087 -7.938 1.00 3.33 H new ATOM 0 HA GLU A 46 6.137 -15.582 -7.697 1.00 41.20 H new ATOM 0 HB2 GLU A 46 6.216 -12.845 -6.399 1.00 73.20 H new ATOM 0 HB3 GLU A 46 7.072 -14.199 -5.686 1.00 73.20 H new ATOM 0 HG2 GLU A 46 7.565 -13.838 -8.582 1.00 72.30 H new ATOM 0 HG3 GLU A 46 8.094 -12.496 -7.588 1.00 72.30 H new ATOM 762 N ALA A 47 4.182 -16.490 -6.297 1.00 24.30 N ATOM 763 CA ALA A 47 3.356 -17.140 -5.293 1.00 73.40 C ATOM 764 C ALA A 47 4.210 -17.970 -4.337 1.00 30.40 C ATOM 765 O ALA A 47 4.942 -18.870 -4.757 1.00 71.10 O ATOM 766 CB ALA A 47 2.310 -18.020 -5.961 1.00 75.40 C ATOM 0 H ALA A 47 4.236 -16.986 -7.187 1.00 24.30 H new ATOM 0 HA ALA A 47 2.851 -16.366 -4.715 1.00 73.40 H new ATOM 0 HB1 ALA A 47 1.698 -18.501 -5.198 1.00 75.40 H new ATOM 0 HB2 ALA A 47 1.676 -17.408 -6.602 1.00 75.40 H new ATOM 0 HB3 ALA A 47 2.806 -18.782 -6.562 1.00 75.40 H new ATOM 772 N HIS A 48 4.109 -17.660 -3.048 1.00 45.30 N ATOM 773 CA HIS A 48 4.871 -18.380 -2.030 1.00 32.20 C ATOM 774 C HIS A 48 3.970 -19.330 -1.253 1.00 74.40 C ATOM 775 O HIS A 48 2.841 -19.610 -1.661 1.00 71.40 O ATOM 776 CB HIS A 48 5.536 -17.390 -1.073 1.00 1.20 C ATOM 777 CG HIS A 48 7.032 -17.410 -1.133 1.00 53.10 C ATOM 778 ND1 HIS A 48 7.774 -18.560 -0.966 1.00 64.30 N ATOM 779 CD2 HIS A 48 7.927 -16.410 -1.344 1.00 40.30 C ATOM 780 CE1 HIS A 48 9.060 -18.270 -1.070 1.00 42.00 C ATOM 781 NE2 HIS A 48 9.179 -16.980 -1.301 1.00 3.25 N ATOM 0 H HIS A 48 3.510 -16.919 -2.684 1.00 45.30 H new ATOM 0 HA HIS A 48 5.642 -18.967 -2.530 1.00 32.20 H new ATOM 0 HB2 HIS A 48 5.185 -16.384 -1.303 1.00 1.20 H new ATOM 0 HB3 HIS A 48 5.219 -17.613 -0.054 1.00 1.20 H new ATOM 0 HD2 HIS A 48 7.700 -15.368 -1.513 1.00 40.30 H new ATOM 0 HE1 HIS A 48 9.875 -18.973 -0.980 1.00 42.00 H new ATOM 0 HE2 HIS A 48 10.060 -16.481 -1.428 1.00 3.25 H new ATOM 790 N SER A 49 4.476 -19.840 -0.133 1.00 40.40 N ATOM 791 CA SER A 49 3.714 -20.760 0.699 1.00 0.31 C ATOM 792 C SER A 49 2.461 -20.090 1.249 1.00 24.30 C ATOM 793 O SER A 49 2.273 -18.890 1.093 1.00 40.40 O ATOM 794 CB SER A 49 4.582 -21.280 1.850 1.00 42.10 C ATOM 795 OG SER A 49 4.632 -22.700 1.855 1.00 41.40 O ATOM 0 H SER A 49 5.411 -19.630 0.217 1.00 40.40 H new ATOM 0 HA SER A 49 3.407 -21.601 0.078 1.00 0.31 H new ATOM 0 HB2 SER A 49 5.591 -20.878 1.758 1.00 42.10 H new ATOM 0 HB3 SER A 49 4.183 -20.924 2.800 1.00 42.10 H new ATOM 0 HG SER A 49 5.194 -23.005 2.598 1.00 41.40 H new ATOM 801 N ASP A 50 1.604 -20.880 1.888 1.00 24.20 N ATOM 802 CA ASP A 50 0.366 -20.360 2.459 1.00 30.40 C ATOM 803 C ASP A 50 0.652 -19.270 3.487 1.00 11.30 C ATOM 804 O ASP A 50 -0.139 -18.340 3.658 1.00 3.15 O ATOM 805 CB ASP A 50 -0.433 -21.490 3.108 1.00 64.30 C ATOM 806 CG ASP A 50 -1.127 -22.370 2.085 1.00 51.40 C ATOM 807 OD1 ASP A 50 -0.435 -23.170 1.426 1.00 10.40 O ATOM 808 OD2 ASP A 50 -2.363 -22.260 1.945 1.00 50.40 O ATOM 0 H ASP A 50 1.744 -21.881 2.023 1.00 24.20 H new ATOM 0 HA ASP A 50 -0.221 -19.924 1.650 1.00 30.40 H new ATOM 0 HB2 ASP A 50 0.235 -22.101 3.715 1.00 64.30 H new ATOM 0 HB3 ASP A 50 -1.177 -21.065 3.782 1.00 64.30 H new ATOM 813 N LYS A 51 1.786 -19.390 4.169 1.00 22.30 N ATOM 814 CA LYS A 51 2.175 -18.410 5.181 1.00 54.20 C ATOM 815 C LYS A 51 2.385 -17.040 4.559 1.00 14.40 C ATOM 816 O LYS A 51 1.924 -16.030 5.092 1.00 3.32 O ATOM 817 CB LYS A 51 3.453 -18.870 5.892 1.00 74.30 C ATOM 818 CG LYS A 51 3.192 -19.680 7.147 1.00 34.30 C ATOM 819 CD LYS A 51 4.332 -19.550 8.144 1.00 24.00 C ATOM 820 CE LYS A 51 3.828 -19.600 9.578 1.00 74.20 C ATOM 821 NZ LYS A 51 4.499 -18.580 10.436 1.00 71.00 N ATOM 0 H LYS A 51 2.451 -20.153 4.041 1.00 22.30 H new ATOM 0 HA LYS A 51 1.369 -18.331 5.910 1.00 54.20 H new ATOM 0 HB2 LYS A 51 4.048 -19.468 5.201 1.00 74.30 H new ATOM 0 HB3 LYS A 51 4.049 -17.995 6.152 1.00 74.30 H new ATOM 0 HG2 LYS A 51 2.263 -19.346 7.610 1.00 34.30 H new ATOM 0 HG3 LYS A 51 3.057 -20.729 6.882 1.00 34.30 H new ATOM 0 HD2 LYS A 51 5.051 -20.353 7.982 1.00 24.00 H new ATOM 0 HD3 LYS A 51 4.859 -18.611 7.975 1.00 24.00 H new ATOM 0 HE2 LYS A 51 2.751 -19.434 9.591 1.00 74.20 H new ATOM 0 HE3 LYS A 51 4.003 -20.594 9.990 1.00 74.20 H new ATOM 0 HZ1 LYS A 51 4.129 -18.645 11.406 1.00 71.00 H new ATOM 0 HZ2 LYS A 51 5.524 -18.753 10.444 1.00 71.00 H new ATOM 0 HZ3 LYS A 51 4.311 -17.630 10.057 1.00 71.00 H new ATOM 835 N ALA A 52 3.085 -17.000 3.430 1.00 23.40 N ATOM 836 CA ALA A 52 3.357 -15.750 2.736 1.00 12.30 C ATOM 837 C ALA A 52 2.108 -15.230 2.032 1.00 14.40 C ATOM 838 O ALA A 52 1.801 -14.040 2.091 1.00 63.20 O ATOM 839 CB ALA A 52 4.488 -15.940 1.737 1.00 42.10 C ATOM 0 H ALA A 52 3.476 -17.825 2.975 1.00 23.40 H new ATOM 0 HA ALA A 52 3.659 -15.009 3.476 1.00 12.30 H new ATOM 0 HB1 ALA A 52 4.682 -14.998 1.224 1.00 42.10 H new ATOM 0 HB2 ALA A 52 5.388 -16.259 2.263 1.00 42.10 H new ATOM 0 HB3 ALA A 52 4.205 -16.699 1.007 1.00 42.10 H new ATOM 845 N LYS A 53 1.393 -16.130 1.365 1.00 41.30 N ATOM 846 CA LYS A 53 0.177 -15.760 0.647 1.00 52.40 C ATOM 847 C LYS A 53 -0.852 -15.150 1.591 1.00 5.40 C ATOM 848 O LYS A 53 -1.415 -14.090 1.308 1.00 73.40 O ATOM 849 CB LYS A 53 -0.418 -16.990 -0.045 1.00 70.10 C ATOM 850 CG LYS A 53 -1.073 -16.680 -1.381 1.00 44.40 C ATOM 851 CD LYS A 53 -1.681 -17.920 -2.008 1.00 43.40 C ATOM 852 CE LYS A 53 -2.571 -17.570 -3.189 1.00 33.20 C ATOM 853 NZ LYS A 53 -3.998 -17.430 -2.787 1.00 23.40 N ATOM 0 H LYS A 53 1.633 -17.120 1.306 1.00 41.30 H new ATOM 0 HA LYS A 53 0.439 -15.014 -0.103 1.00 52.40 H new ATOM 0 HB2 LYS A 53 0.370 -17.727 -0.199 1.00 70.10 H new ATOM 0 HB3 LYS A 53 -1.156 -17.446 0.615 1.00 70.10 H new ATOM 0 HG2 LYS A 53 -1.848 -15.926 -1.240 1.00 44.40 H new ATOM 0 HG3 LYS A 53 -0.333 -16.255 -2.059 1.00 44.40 H new ATOM 0 HD2 LYS A 53 -0.886 -18.590 -2.336 1.00 43.40 H new ATOM 0 HD3 LYS A 53 -2.263 -18.459 -1.260 1.00 43.40 H new ATOM 0 HE2 LYS A 53 -2.228 -16.638 -3.639 1.00 33.20 H new ATOM 0 HE3 LYS A 53 -2.483 -18.344 -3.952 1.00 33.20 H new ATOM 0 HZ1 LYS A 53 -4.572 -17.191 -3.621 1.00 23.40 H new ATOM 0 HZ2 LYS A 53 -4.334 -18.327 -2.381 1.00 23.40 H new ATOM 0 HZ3 LYS A 53 -4.086 -16.674 -2.078 1.00 23.40 H new ATOM 867 N GLU A 54 -1.094 -15.820 2.713 1.00 44.20 N ATOM 868 CA GLU A 54 -2.058 -15.340 3.697 1.00 72.20 C ATOM 869 C GLU A 54 -1.590 -14.030 4.328 1.00 72.10 C ATOM 870 O GLU A 54 -2.387 -13.120 4.559 1.00 53.30 O ATOM 871 CB GLU A 54 -2.275 -16.390 4.784 1.00 61.10 C ATOM 872 CG GLU A 54 -3.394 -17.370 4.468 1.00 44.30 C ATOM 873 CD GLU A 54 -3.857 -18.140 5.690 1.00 53.50 C ATOM 874 OE1 GLU A 54 -3.155 -19.090 6.096 1.00 23.10 O ATOM 875 OE2 GLU A 54 -4.924 -17.800 6.240 1.00 52.40 O ATOM 0 H GLU A 54 -0.636 -16.696 2.964 1.00 44.20 H new ATOM 0 HA GLU A 54 -3.001 -15.158 3.182 1.00 72.20 H new ATOM 0 HB2 GLU A 54 -1.348 -16.945 4.932 1.00 61.10 H new ATOM 0 HB3 GLU A 54 -2.499 -15.887 5.724 1.00 61.10 H new ATOM 0 HG2 GLU A 54 -4.239 -16.827 4.044 1.00 44.30 H new ATOM 0 HG3 GLU A 54 -3.053 -18.073 3.708 1.00 44.30 H new ATOM 882 N SER A 55 -0.292 -13.950 4.604 1.00 22.30 N ATOM 883 CA SER A 55 0.282 -12.750 5.210 1.00 12.30 C ATOM 884 C SER A 55 0.065 -11.530 4.323 1.00 4.20 C ATOM 885 O SER A 55 -0.346 -10.470 4.797 1.00 32.30 O ATOM 886 CB SER A 55 1.777 -12.950 5.465 1.00 21.30 C ATOM 887 OG SER A 55 2.008 -13.470 6.764 1.00 15.20 O ATOM 0 H SER A 55 0.380 -14.695 4.420 1.00 22.30 H new ATOM 0 HA SER A 55 -0.224 -12.577 6.160 1.00 12.30 H new ATOM 0 HB2 SER A 55 2.189 -13.630 4.719 1.00 21.30 H new ATOM 0 HB3 SER A 55 2.299 -12.000 5.352 1.00 21.30 H new ATOM 0 HG SER A 55 2.032 -14.449 6.725 1.00 15.20 H new ATOM 893 N ILE A 56 0.346 -11.680 3.033 1.00 63.20 N ATOM 894 CA ILE A 56 0.184 -10.590 2.080 1.00 1.13 C ATOM 895 C ILE A 56 -1.290 -10.290 1.831 1.00 74.20 C ATOM 896 O ILE A 56 -1.706 -9.136 1.832 1.00 2.31 O ATOM 897 CB ILE A 56 0.865 -10.910 0.734 1.00 24.40 C ATOM 898 CG1 ILE A 56 2.308 -11.370 0.962 1.00 41.30 C ATOM 899 CG2 ILE A 56 0.824 -9.709 -0.186 1.00 70.10 C ATOM 900 CD1 ILE A 56 2.820 -12.310 -0.106 1.00 25.40 C ATOM 0 H ILE A 56 0.688 -12.549 2.623 1.00 63.20 H new ATOM 0 HA ILE A 56 0.661 -9.715 2.521 1.00 1.13 H new ATOM 0 HB ILE A 56 0.317 -11.721 0.255 1.00 24.40 H new ATOM 0 HG12 ILE A 56 2.957 -10.495 1.005 1.00 41.30 H new ATOM 0 HG13 ILE A 56 2.374 -11.864 1.931 1.00 41.30 H new ATOM 0 HG21 ILE A 56 1.310 -9.957 -1.130 1.00 70.10 H new ATOM 0 HG22 ILE A 56 -0.213 -9.430 -0.374 1.00 70.10 H new ATOM 0 HG23 ILE A 56 1.345 -8.874 0.282 1.00 70.10 H new ATOM 0 HD11 ILE A 56 3.848 -12.594 0.121 1.00 25.40 H new ATOM 0 HD12 ILE A 56 2.195 -13.203 -0.135 1.00 25.40 H new ATOM 0 HD13 ILE A 56 2.787 -11.812 -1.075 1.00 25.40 H new ATOM 912 N ARG A 57 -2.075 -11.340 1.616 1.00 72.50 N ATOM 913 CA ARG A 57 -3.503 -11.190 1.363 1.00 14.50 C ATOM 914 C ARG A 57 -4.197 -10.500 2.535 1.00 51.40 C ATOM 915 O ARG A 57 -5.113 -9.706 2.344 1.00 52.10 O ATOM 916 CB ARG A 57 -4.144 -12.550 1.106 1.00 23.30 C ATOM 917 CG ARG A 57 -5.315 -12.500 0.138 1.00 20.30 C ATOM 918 CD ARG A 57 -4.870 -12.770 -1.291 1.00 71.10 C ATOM 919 NE ARG A 57 -6.002 -12.860 -2.209 1.00 73.20 N ATOM 920 CZ ARG A 57 -6.663 -11.810 -2.679 1.00 34.00 C ATOM 921 NH1 ARG A 57 -6.310 -10.580 -2.318 1.00 53.30 N ATOM 922 NH2 ARG A 57 -7.680 -11.980 -3.512 1.00 31.40 N ATOM 0 H ARG A 57 -1.746 -12.305 1.612 1.00 72.50 H new ATOM 0 HA ARG A 57 -3.623 -10.567 0.476 1.00 14.50 H new ATOM 0 HB2 ARG A 57 -3.388 -13.230 0.713 1.00 23.30 H new ATOM 0 HB3 ARG A 57 -4.485 -12.966 2.054 1.00 23.30 H new ATOM 0 HG2 ARG A 57 -6.063 -13.236 0.432 1.00 20.30 H new ATOM 0 HG3 ARG A 57 -5.792 -11.521 0.193 1.00 20.30 H new ATOM 0 HD2 ARG A 57 -4.200 -11.975 -1.618 1.00 71.10 H new ATOM 0 HD3 ARG A 57 -4.302 -13.699 -1.324 1.00 71.10 H new ATOM 0 HE ARG A 57 -6.303 -13.788 -2.507 1.00 73.20 H new ATOM 0 HH11 ARG A 57 -5.528 -10.441 -1.678 1.00 53.30 H new ATOM 0 HH12 ARG A 57 -6.821 -9.775 -2.682 1.00 53.30 H new ATOM 0 HH21 ARG A 57 -7.957 -12.920 -3.794 1.00 31.40 H new ATOM 0 HH22 ARG A 57 -8.186 -11.170 -3.871 1.00 31.40 H new ATOM 936 N ALA A 58 -3.755 -10.820 3.747 1.00 44.10 N ATOM 937 CA ALA A 58 -4.333 -10.230 4.950 1.00 44.10 C ATOM 938 C ALA A 58 -3.917 -8.778 5.109 1.00 5.11 C ATOM 939 O ALA A 58 -4.660 -7.966 5.659 1.00 63.50 O ATOM 940 CB ALA A 58 -3.928 -11.040 6.177 1.00 71.00 C ATOM 0 H ALA A 58 -3.000 -11.483 3.922 1.00 44.10 H new ATOM 0 HA ALA A 58 -5.418 -10.254 4.852 1.00 44.10 H new ATOM 0 HB1 ALA A 58 -4.364 -10.591 7.069 1.00 71.00 H new ATOM 0 HB2 ALA A 58 -4.288 -12.064 6.072 1.00 71.00 H new ATOM 0 HB3 ALA A 58 -2.842 -11.045 6.268 1.00 71.00 H new ATOM 946 N LYS A 59 -2.722 -8.452 4.626 1.00 42.40 N ATOM 947 CA LYS A 59 -2.205 -7.091 4.717 1.00 61.00 C ATOM 948 C LYS A 59 -2.893 -6.177 3.706 1.00 54.40 C ATOM 949 O LYS A 59 -3.206 -5.026 4.009 1.00 1.24 O ATOM 950 CB LYS A 59 -0.692 -7.082 4.489 1.00 1.21 C ATOM 951 CG LYS A 59 0.103 -6.628 5.704 1.00 1.15 C ATOM 952 CD LYS A 59 0.757 -7.803 6.417 1.00 34.10 C ATOM 953 CE LYS A 59 0.433 -7.805 7.903 1.00 51.10 C ATOM 954 NZ LYS A 59 1.382 -6.959 8.678 1.00 0.24 N ATOM 0 H LYS A 59 -2.094 -9.112 4.168 1.00 42.40 H new ATOM 0 HA LYS A 59 -2.416 -6.715 5.718 1.00 61.00 H new ATOM 0 HB2 LYS A 59 -0.369 -8.084 4.208 1.00 1.21 H new ATOM 0 HB3 LYS A 59 -0.463 -6.426 3.649 1.00 1.21 H new ATOM 0 HG2 LYS A 59 0.869 -5.918 5.393 1.00 1.15 H new ATOM 0 HG3 LYS A 59 -0.556 -6.103 6.396 1.00 1.15 H new ATOM 0 HD2 LYS A 59 0.417 -8.737 5.968 1.00 34.10 H new ATOM 0 HD3 LYS A 59 1.837 -7.758 6.279 1.00 34.10 H new ATOM 0 HE2 LYS A 59 -0.584 -7.442 8.054 1.00 51.10 H new ATOM 0 HE3 LYS A 59 0.466 -8.827 8.281 1.00 51.10 H new ATOM 0 HZ1 LYS A 59 1.128 -6.986 9.686 1.00 0.24 H new ATOM 0 HZ2 LYS A 59 2.349 -7.320 8.555 1.00 0.24 H new ATOM 0 HZ3 LYS A 59 1.333 -5.978 8.335 1.00 0.24 H new ATOM 968 N CYS A 60 -3.124 -6.697 2.506 1.00 23.30 N ATOM 969 CA CYS A 60 -3.773 -5.928 1.450 1.00 23.50 C ATOM 970 C CYS A 60 -5.165 -5.474 1.881 1.00 21.40 C ATOM 971 O CYS A 60 -5.628 -4.403 1.490 1.00 62.30 O ATOM 972 CB CYS A 60 -3.866 -6.760 0.169 1.00 75.00 C ATOM 973 SG CYS A 60 -2.779 -6.193 -1.159 1.00 73.30 S ATOM 0 H CYS A 60 -2.871 -7.649 2.240 1.00 23.30 H new ATOM 0 HA CYS A 60 -3.168 -5.042 1.256 1.00 23.50 H new ATOM 0 HB2 CYS A 60 -3.625 -7.797 0.404 1.00 75.00 H new ATOM 0 HB3 CYS A 60 -4.896 -6.745 -0.187 1.00 75.00 H new ATOM 0 HG CYS A 60 -2.767 -7.073 -2.115 1.00 73.30 H new ATOM 979 N VAL A 61 -5.827 -6.295 2.688 1.00 4.41 N ATOM 980 CA VAL A 61 -7.166 -5.978 3.169 1.00 50.40 C ATOM 981 C VAL A 61 -7.151 -4.755 4.081 1.00 64.10 C ATOM 982 O VAL A 61 -7.946 -3.831 3.909 1.00 55.10 O ATOM 983 CB VAL A 61 -7.785 -7.164 3.934 1.00 74.40 C ATOM 984 CG1 VAL A 61 -9.235 -6.874 4.291 1.00 12.20 C ATOM 985 CG2 VAL A 61 -7.677 -8.443 3.118 1.00 22.20 C ATOM 0 H VAL A 61 -5.458 -7.185 3.023 1.00 4.41 H new ATOM 0 HA VAL A 61 -7.773 -5.764 2.289 1.00 50.40 H new ATOM 0 HB VAL A 61 -7.227 -7.302 4.860 1.00 74.40 H new ATOM 0 HG11 VAL A 61 -9.654 -7.723 4.831 1.00 12.20 H new ATOM 0 HG12 VAL A 61 -9.284 -5.985 4.920 1.00 12.20 H new ATOM 0 HG13 VAL A 61 -9.808 -6.706 3.379 1.00 12.20 H new ATOM 0 HG21 VAL A 61 -8.120 -9.269 3.675 1.00 22.20 H new ATOM 0 HG22 VAL A 61 -8.206 -8.318 2.173 1.00 22.20 H new ATOM 0 HG23 VAL A 61 -6.628 -8.661 2.920 1.00 22.20 H new ATOM 995 N GLN A 62 -6.243 -4.755 5.051 1.00 45.10 N ATOM 996 CA GLN A 62 -6.126 -3.646 5.990 1.00 61.40 C ATOM 997 C GLN A 62 -5.672 -2.373 5.284 1.00 63.30 C ATOM 998 O GLN A 62 -6.054 -1.267 5.668 1.00 62.20 O ATOM 999 CB GLN A 62 -5.146 -4.000 7.111 1.00 33.10 C ATOM 1000 CG GLN A 62 -5.579 -3.498 8.479 1.00 42.10 C ATOM 1001 CD GLN A 62 -5.883 -4.626 9.447 1.00 63.50 C ATOM 1002 OE1 GLN A 62 -7.039 -4.874 9.784 1.00 23.10 O ATOM 1003 NE2 GLN A 62 -4.840 -5.314 9.897 1.00 1.31 N ATOM 0 H GLN A 62 -5.577 -5.511 5.207 1.00 45.10 H new ATOM 0 HA GLN A 62 -7.111 -3.466 6.420 1.00 61.40 H new ATOM 0 HB2 GLN A 62 -5.029 -5.083 7.151 1.00 33.10 H new ATOM 0 HB3 GLN A 62 -4.168 -3.582 6.873 1.00 33.10 H new ATOM 0 HG2 GLN A 62 -4.793 -2.869 8.896 1.00 42.10 H new ATOM 0 HG3 GLN A 62 -6.464 -2.871 8.368 1.00 42.10 H new ATOM 0 HE21 GLN A 62 -3.898 -5.072 9.589 1.00 1.31 H new ATOM 0 HE22 GLN A 62 -4.981 -6.085 10.550 1.00 1.31 H new ATOM 1012 N TYR A 63 -4.853 -2.534 4.249 1.00 72.10 N ATOM 1013 CA TYR A 63 -4.346 -1.395 3.492 1.00 54.00 C ATOM 1014 C TYR A 63 -5.458 -0.744 2.676 1.00 4.45 C ATOM 1015 O TYR A 63 -5.490 0.477 2.516 1.00 12.30 O ATOM 1016 CB TYR A 63 -3.208 -1.834 2.566 1.00 1.44 C ATOM 1017 CG TYR A 63 -1.979 -2.349 3.291 1.00 45.50 C ATOM 1018 CD1 TYR A 63 -1.788 -2.111 4.649 1.00 73.40 C ATOM 1019 CD2 TYR A 63 -1.009 -3.074 2.611 1.00 43.10 C ATOM 1020 CE1 TYR A 63 -0.665 -2.582 5.304 1.00 31.20 C ATOM 1021 CE2 TYR A 63 0.115 -3.548 3.261 1.00 33.40 C ATOM 1022 CZ TYR A 63 0.283 -3.299 4.606 1.00 2.10 C ATOM 1023 OH TYR A 63 1.401 -3.769 5.256 1.00 34.20 O ATOM 0 H TYR A 63 -4.527 -3.441 3.916 1.00 72.10 H new ATOM 0 HA TYR A 63 -3.964 -0.662 4.202 1.00 54.00 H new ATOM 0 HB2 TYR A 63 -3.577 -2.614 1.900 1.00 1.44 H new ATOM 0 HB3 TYR A 63 -2.919 -0.991 1.939 1.00 1.44 H new ATOM 0 HD1 TYR A 63 -2.528 -1.550 5.200 1.00 73.40 H new ATOM 0 HD2 TYR A 63 -1.135 -3.271 1.557 1.00 43.10 H new ATOM 0 HE1 TYR A 63 -0.531 -2.389 6.358 1.00 31.20 H new ATOM 0 HE2 TYR A 63 0.859 -4.111 2.717 1.00 33.40 H new ATOM 0 HH TYR A 63 1.968 -4.255 4.621 1.00 34.20 H new ATOM 1033 N LEU A 64 -6.366 -1.563 2.159 1.00 1.42 N ATOM 1034 CA LEU A 64 -7.478 -1.065 1.356 1.00 20.40 C ATOM 1035 C LEU A 64 -8.434 -0.234 2.206 1.00 34.20 C ATOM 1036 O LEU A 64 -9.065 0.700 1.711 1.00 54.00 O ATOM 1037 CB LEU A 64 -8.231 -2.230 0.712 1.00 14.30 C ATOM 1038 CG LEU A 64 -7.447 -2.999 -0.353 1.00 13.10 C ATOM 1039 CD1 LEU A 64 -7.923 -4.441 -0.430 1.00 62.50 C ATOM 1040 CD2 LEU A 64 -7.581 -2.318 -1.707 1.00 4.42 C ATOM 0 H LEU A 64 -6.355 -2.576 2.281 1.00 1.42 H new ATOM 0 HA LEU A 64 -7.070 -0.427 0.572 1.00 20.40 H new ATOM 0 HB2 LEU A 64 -8.530 -2.927 1.495 1.00 14.30 H new ATOM 0 HB3 LEU A 64 -9.146 -1.846 0.261 1.00 14.30 H new ATOM 0 HG LEU A 64 -6.394 -3.001 -0.071 1.00 13.10 H new ATOM 0 HD11 LEU A 64 -7.354 -4.972 -1.193 1.00 62.50 H new ATOM 0 HD12 LEU A 64 -7.775 -4.925 0.535 1.00 62.50 H new ATOM 0 HD13 LEU A 64 -8.982 -4.461 -0.688 1.00 62.50 H new ATOM 0 HD21 LEU A 64 -7.017 -2.878 -2.453 1.00 4.42 H new ATOM 0 HD22 LEU A 64 -8.632 -2.285 -1.995 1.00 4.42 H new ATOM 0 HD23 LEU A 64 -7.190 -1.302 -1.644 1.00 4.42 H new ATOM 1052 N ASP A 65 -8.537 -0.579 3.484 1.00 1.02 N ATOM 1053 CA ASP A 65 -9.419 0.135 4.401 1.00 62.30 C ATOM 1054 C ASP A 65 -8.827 1.488 4.786 1.00 4.50 C ATOM 1055 O ASP A 65 -9.556 2.445 5.046 1.00 51.40 O ATOM 1056 CB ASP A 65 -9.672 -0.705 5.655 1.00 73.10 C ATOM 1057 CG ASP A 65 -11.090 -1.223 5.725 1.00 4.33 C ATOM 1058 OD1 ASP A 65 -12.020 -0.437 5.456 1.00 10.10 O ATOM 1059 OD2 ASP A 65 -11.270 -2.416 6.050 1.00 3.14 O ATOM 0 H ASP A 65 -8.021 -1.349 3.909 1.00 1.02 H new ATOM 0 HA ASP A 65 -10.367 0.309 3.893 1.00 62.30 H new ATOM 0 HB2 ASP A 65 -8.979 -1.547 5.671 1.00 73.10 H new ATOM 0 HB3 ASP A 65 -9.464 -0.104 6.540 1.00 73.10 H new ATOM 1064 N ARG A 66 -7.501 1.559 4.824 1.00 61.50 N ATOM 1065 CA ARG A 66 -6.810 2.794 5.181 1.00 23.40 C ATOM 1066 C ARG A 66 -6.872 3.805 4.040 1.00 34.40 C ATOM 1067 O ARG A 66 -7.174 4.979 4.254 1.00 10.50 O ATOM 1068 CB ARG A 66 -5.352 2.502 5.540 1.00 25.30 C ATOM 1069 CG ARG A 66 -4.690 3.612 6.342 1.00 13.20 C ATOM 1070 CD ARG A 66 -4.291 3.137 7.731 1.00 62.00 C ATOM 1071 NE ARG A 66 -5.259 3.543 8.748 1.00 21.20 N ATOM 1072 CZ ARG A 66 -5.025 3.490 10.058 1.00 64.50 C ATOM 1073 NH1 ARG A 66 -3.858 3.051 10.514 1.00 61.30 N ATOM 1074 NH2 ARG A 66 -5.961 3.878 10.913 1.00 51.40 N ATOM 0 H ARG A 66 -6.882 0.776 4.612 1.00 61.50 H new ATOM 0 HA ARG A 66 -7.312 3.223 6.048 1.00 23.40 H new ATOM 0 HB2 ARG A 66 -5.306 1.575 6.111 1.00 25.30 H new ATOM 0 HB3 ARG A 66 -4.786 2.340 4.623 1.00 25.30 H new ATOM 0 HG2 ARG A 66 -3.807 3.969 5.811 1.00 13.20 H new ATOM 0 HG3 ARG A 66 -5.373 4.457 6.428 1.00 13.20 H new ATOM 0 HD2 ARG A 66 -4.200 2.051 7.730 1.00 62.00 H new ATOM 0 HD3 ARG A 66 -3.310 3.539 7.984 1.00 62.00 H new ATOM 0 HE ARG A 66 -6.167 3.887 8.436 1.00 21.20 H new ATOM 0 HH11 ARG A 66 -3.135 2.752 9.860 1.00 61.30 H new ATOM 0 HH12 ARG A 66 -3.685 3.013 11.518 1.00 61.30 H new ATOM 0 HH21 ARG A 66 -6.859 4.217 10.567 1.00 51.40 H new ATOM 0 HH22 ARG A 66 -5.783 3.838 11.917 1.00 51.40 H new ATOM 1088 N ALA A 67 -6.584 3.342 2.828 1.00 34.50 N ATOM 1089 CA ALA A 67 -6.604 4.207 1.654 1.00 63.40 C ATOM 1090 C ALA A 67 -7.979 4.836 1.454 1.00 45.20 C ATOM 1091 O ALA A 67 -8.094 5.940 0.923 1.00 12.20 O ATOM 1092 CB ALA A 67 -6.196 3.422 0.416 1.00 72.20 C ATOM 0 H ALA A 67 -6.334 2.373 2.633 1.00 34.50 H new ATOM 0 HA ALA A 67 -5.888 5.012 1.816 1.00 63.40 H new ATOM 0 HB1 ALA A 67 -6.215 4.079 -0.454 1.00 72.20 H new ATOM 0 HB2 ALA A 67 -5.189 3.027 0.551 1.00 72.20 H new ATOM 0 HB3 ALA A 67 -6.892 2.597 0.263 1.00 72.20 H new ATOM 1098 N GLU A 68 -9.018 4.127 1.882 1.00 54.10 N ATOM 1099 CA GLU A 68 -10.380 4.617 1.746 1.00 23.10 C ATOM 1100 C GLU A 68 -10.650 5.755 2.726 1.00 71.30 C ATOM 1101 O GLU A 68 -11.430 6.664 2.437 1.00 42.30 O ATOM 1102 CB GLU A 68 -11.380 3.480 1.978 1.00 34.20 C ATOM 1103 CG GLU A 68 -11.500 2.532 0.796 1.00 41.40 C ATOM 1104 CD GLU A 68 -12.910 2.489 0.228 1.00 20.00 C ATOM 1105 OE1 GLU A 68 -13.230 3.348 -0.620 1.00 42.40 O ATOM 1106 OE2 GLU A 68 -13.690 1.599 0.631 1.00 63.10 O ATOM 0 H GLU A 68 -8.940 3.212 2.326 1.00 54.10 H new ATOM 0 HA GLU A 68 -10.502 4.998 0.732 1.00 23.10 H new ATOM 0 HB2 GLU A 68 -11.078 2.914 2.859 1.00 34.20 H new ATOM 0 HB3 GLU A 68 -12.360 3.906 2.194 1.00 34.20 H new ATOM 0 HG2 GLU A 68 -10.806 2.840 0.014 1.00 41.40 H new ATOM 0 HG3 GLU A 68 -11.206 1.529 1.106 1.00 41.40 H new ATOM 1113 N LYS A 69 -10.010 5.697 3.887 1.00 3.30 N ATOM 1114 CA LYS A 69 -10.180 6.723 4.910 1.00 64.50 C ATOM 1115 C LYS A 69 -9.449 8.005 4.530 1.00 51.50 C ATOM 1116 O LYS A 69 -9.867 9.104 4.896 1.00 64.50 O ATOM 1117 CB LYS A 69 -9.681 6.215 6.262 1.00 60.40 C ATOM 1118 CG LYS A 69 -10.450 6.771 7.447 1.00 41.20 C ATOM 1119 CD LYS A 69 -9.683 7.874 8.152 1.00 3.13 C ATOM 1120 CE LYS A 69 -9.015 7.365 9.420 1.00 4.50 C ATOM 1121 NZ LYS A 69 -7.640 7.911 9.580 1.00 42.20 N ATOM 0 H LYS A 69 -9.367 4.949 4.145 1.00 3.30 H new ATOM 0 HA LYS A 69 -11.244 6.947 4.986 1.00 64.50 H new ATOM 0 HB2 LYS A 69 -9.745 5.127 6.277 1.00 60.40 H new ATOM 0 HB3 LYS A 69 -8.628 6.474 6.371 1.00 60.40 H new ATOM 0 HG2 LYS A 69 -11.411 7.157 7.107 1.00 41.20 H new ATOM 0 HG3 LYS A 69 -10.661 5.967 8.152 1.00 41.20 H new ATOM 0 HD2 LYS A 69 -8.928 8.281 7.480 1.00 3.13 H new ATOM 0 HD3 LYS A 69 -10.362 8.690 8.399 1.00 3.13 H new ATOM 0 HE2 LYS A 69 -9.618 7.642 10.284 1.00 4.50 H new ATOM 0 HE3 LYS A 69 -8.973 6.276 9.396 1.00 4.50 H new ATOM 0 HZ1 LYS A 69 -7.219 7.540 10.456 1.00 42.20 H new ATOM 0 HZ2 LYS A 69 -7.057 7.626 8.768 1.00 42.20 H new ATOM 0 HZ3 LYS A 69 -7.682 8.949 9.629 1.00 42.20 H new ATOM 1135 N LEU A 70 -8.352 7.857 3.794 1.00 0.21 N ATOM 1136 CA LEU A 70 -7.558 9.003 3.366 1.00 40.50 C ATOM 1137 C LEU A 70 -8.331 9.864 2.371 1.00 52.20 C ATOM 1138 O LEU A 70 -8.423 11.081 2.527 1.00 42.10 O ATOM 1139 CB LEU A 70 -6.244 8.535 2.739 1.00 21.30 C ATOM 1140 CG LEU A 70 -5.362 7.678 3.648 1.00 35.20 C ATOM 1141 CD1 LEU A 70 -4.169 7.136 2.875 1.00 2.25 C ATOM 1142 CD2 LEU A 70 -4.897 8.483 4.852 1.00 45.30 C ATOM 0 H LEU A 70 -7.993 6.955 3.482 1.00 0.21 H new ATOM 0 HA LEU A 70 -7.338 9.607 4.246 1.00 40.50 H new ATOM 0 HB2 LEU A 70 -6.472 7.966 1.838 1.00 21.30 H new ATOM 0 HB3 LEU A 70 -5.675 9.411 2.428 1.00 21.30 H new ATOM 0 HG LEU A 70 -5.952 6.834 4.006 1.00 35.20 H new ATOM 0 HD11 LEU A 70 -3.552 6.528 3.537 1.00 2.25 H new ATOM 0 HD12 LEU A 70 -4.521 6.524 2.044 1.00 2.25 H new ATOM 0 HD13 LEU A 70 -3.578 7.966 2.489 1.00 2.25 H new ATOM 0 HD21 LEU A 70 -4.271 7.858 5.488 1.00 45.30 H new ATOM 0 HD22 LEU A 70 -4.323 9.346 4.513 1.00 45.30 H new ATOM 0 HD23 LEU A 70 -5.764 8.824 5.419 1.00 45.30 H new ATOM 1154 N LYS A 71 -8.884 9.223 1.347 1.00 14.10 N ATOM 1155 CA LYS A 71 -9.648 9.929 0.325 1.00 2.45 C ATOM 1156 C LYS A 71 -10.910 10.551 0.915 1.00 61.40 C ATOM 1157 O LYS A 71 -11.280 11.670 0.567 1.00 21.20 O ATOM 1158 CB LYS A 71 -10.020 8.976 -0.813 1.00 41.10 C ATOM 1159 CG LYS A 71 -10.770 7.738 -0.349 1.00 14.10 C ATOM 1160 CD LYS A 71 -11.300 6.935 -1.526 1.00 21.30 C ATOM 1161 CE LYS A 71 -10.380 5.774 -1.868 1.00 2.33 C ATOM 1162 NZ LYS A 71 -10.250 5.580 -3.339 1.00 23.20 N ATOM 0 H LYS A 71 -8.817 8.215 1.203 1.00 14.10 H new ATOM 0 HA LYS A 71 -9.022 10.730 -0.069 1.00 2.45 H new ATOM 0 HB2 LYS A 71 -10.633 9.511 -1.538 1.00 41.10 H new ATOM 0 HB3 LYS A 71 -9.111 8.668 -1.329 1.00 41.10 H new ATOM 0 HG2 LYS A 71 -10.108 7.113 0.250 1.00 14.10 H new ATOM 0 HG3 LYS A 71 -11.599 8.033 0.294 1.00 14.10 H new ATOM 0 HD2 LYS A 71 -12.294 6.555 -1.291 1.00 21.30 H new ATOM 0 HD3 LYS A 71 -11.404 7.586 -2.394 1.00 21.30 H new ATOM 0 HE2 LYS A 71 -9.395 5.953 -1.437 1.00 2.33 H new ATOM 0 HE3 LYS A 71 -10.765 4.861 -1.414 1.00 2.33 H new ATOM 0 HZ1 LYS A 71 -9.614 4.779 -3.529 1.00 23.20 H new ATOM 0 HZ2 LYS A 71 -11.186 5.384 -3.747 1.00 23.20 H new ATOM 0 HZ3 LYS A 71 -9.859 6.442 -3.770 1.00 23.20 H new ATOM 1176 N ASP A 72 -11.560 9.818 1.811 1.00 23.40 N ATOM 1177 CA ASP A 72 -12.780 10.297 2.449 1.00 13.20 C ATOM 1178 C ASP A 72 -12.490 11.495 3.349 1.00 42.20 C ATOM 1179 O ASP A 72 -13.350 12.358 3.542 1.00 23.30 O ATOM 1180 CB ASP A 72 -13.430 9.177 3.263 1.00 61.40 C ATOM 1181 CG ASP A 72 -14.420 8.374 2.449 1.00 71.30 C ATOM 1182 OD1 ASP A 72 -14.000 7.727 1.467 1.00 54.50 O ATOM 1183 OD2 ASP A 72 -15.620 8.393 2.795 1.00 50.30 O ATOM 0 H ASP A 72 -11.263 8.890 2.112 1.00 23.40 H new ATOM 0 HA ASP A 72 -13.469 10.613 1.666 1.00 13.20 H new ATOM 0 HB2 ASP A 72 -12.655 8.513 3.646 1.00 61.40 H new ATOM 0 HB3 ASP A 72 -13.937 9.606 4.127 1.00 61.40 H new ATOM 1188 N TYR A 73 -11.280 11.542 3.898 1.00 4.54 N ATOM 1189 CA TYR A 73 -10.880 12.634 4.780 1.00 51.30 C ATOM 1190 C TYR A 73 -10.680 13.924 3.991 1.00 22.10 C ATOM 1191 O TYR A 73 -11.210 14.975 4.353 1.00 42.10 O ATOM 1192 CB TYR A 73 -9.607 12.272 5.530 1.00 44.00 C ATOM 1193 CG TYR A 73 -9.155 13.335 6.505 1.00 60.10 C ATOM 1194 CD1 TYR A 73 -8.301 14.354 6.103 1.00 63.40 C ATOM 1195 CD2 TYR A 73 -9.578 13.317 7.828 1.00 52.20 C ATOM 1196 CE1 TYR A 73 -7.885 15.328 6.991 1.00 54.30 C ATOM 1197 CE2 TYR A 73 -9.166 14.287 8.722 1.00 53.20 C ATOM 1198 CZ TYR A 73 -8.319 15.289 8.299 1.00 40.30 C ATOM 1199 OH TYR A 73 -7.906 16.256 9.187 1.00 41.20 O ATOM 0 H TYR A 73 -10.559 10.836 3.748 1.00 4.54 H new ATOM 0 HA TYR A 73 -11.679 12.796 5.504 1.00 51.30 H new ATOM 0 HB2 TYR A 73 -9.767 11.339 6.071 1.00 44.00 H new ATOM 0 HB3 TYR A 73 -8.810 12.090 4.809 1.00 44.00 H new ATOM 0 HD1 TYR A 73 -7.956 14.386 5.080 1.00 63.40 H new ATOM 0 HD2 TYR A 73 -10.240 12.532 8.163 1.00 52.20 H new ATOM 0 HE1 TYR A 73 -7.223 16.116 6.662 1.00 54.30 H new ATOM 0 HE2 TYR A 73 -9.506 14.260 9.747 1.00 53.20 H new ATOM 0 HH TYR A 73 -8.303 16.084 10.066 1.00 41.20 H new ATOM 1209 N LEU A 74 -9.909 13.838 2.914 1.00 12.20 N ATOM 1210 CA LEU A 74 -9.631 14.998 2.076 1.00 54.20 C ATOM 1211 C LEU A 74 -10.860 15.403 1.275 1.00 63.10 C ATOM 1212 O LEU A 74 -11.140 16.589 1.108 1.00 12.40 O ATOM 1213 CB LEU A 74 -8.467 14.703 1.130 1.00 25.30 C ATOM 1214 CG LEU A 74 -8.662 13.488 0.221 1.00 34.10 C ATOM 1215 CD1 LEU A 74 -9.242 13.912 -1.120 1.00 64.40 C ATOM 1216 CD2 LEU A 74 -7.346 12.751 0.026 1.00 23.40 C ATOM 0 H LEU A 74 -9.464 12.975 2.600 1.00 12.20 H new ATOM 0 HA LEU A 74 -9.359 15.827 2.730 1.00 54.20 H new ATOM 0 HB2 LEU A 74 -8.295 15.580 0.506 1.00 25.30 H new ATOM 0 HB3 LEU A 74 -7.566 14.552 1.724 1.00 25.30 H new ATOM 0 HG LEU A 74 -9.367 12.809 0.700 1.00 34.10 H new ATOM 0 HD11 LEU A 74 -9.374 13.035 -1.753 1.00 64.40 H new ATOM 0 HD12 LEU A 74 -10.207 14.394 -0.963 1.00 64.40 H new ATOM 0 HD13 LEU A 74 -8.562 14.611 -1.606 1.00 64.40 H new ATOM 0 HD21 LEU A 74 -7.504 11.890 -0.623 1.00 23.40 H new ATOM 0 HD22 LEU A 74 -6.618 13.421 -0.431 1.00 23.40 H new ATOM 0 HD23 LEU A 74 -6.972 12.413 0.992 1.00 23.40 H new ATOM 1228 N ARG A 75 -11.590 14.409 0.781 1.00 45.40 N ATOM 1229 CA ARG A 75 -12.790 14.664 -0.003 1.00 21.20 C ATOM 1230 C ARG A 75 -13.840 15.400 0.827 1.00 41.00 C ATOM 1231 O ARG A 75 -14.360 16.436 0.413 1.00 24.30 O ATOM 1232 CB ARG A 75 -13.380 13.348 -0.528 1.00 3.33 C ATOM 1233 CG ARG A 75 -12.670 12.824 -1.769 1.00 53.50 C ATOM 1234 CD ARG A 75 -13.660 12.461 -2.865 1.00 3.22 C ATOM 1235 NE ARG A 75 -13.110 11.482 -3.798 1.00 50.30 N ATOM 1236 CZ ARG A 75 -13.030 10.177 -3.547 1.00 62.30 C ATOM 1237 NH1 ARG A 75 -13.480 9.691 -2.394 1.00 61.10 N ATOM 1238 NH2 ARG A 75 -12.520 9.356 -4.450 1.00 52.40 N ATOM 0 H ARG A 75 -11.371 13.421 0.910 1.00 45.40 H new ATOM 0 HA ARG A 75 -12.507 15.293 -0.847 1.00 21.20 H new ATOM 0 HB2 ARG A 75 -13.327 12.595 0.258 1.00 3.33 H new ATOM 0 HB3 ARG A 75 -14.435 13.496 -0.757 1.00 3.33 H new ATOM 0 HG2 ARG A 75 -11.976 13.579 -2.139 1.00 53.50 H new ATOM 0 HG3 ARG A 75 -12.077 11.947 -1.508 1.00 53.50 H new ATOM 0 HD2 ARG A 75 -14.569 12.062 -2.415 1.00 3.22 H new ATOM 0 HD3 ARG A 75 -13.943 13.361 -3.410 1.00 3.22 H new ATOM 0 HE ARG A 75 -12.766 11.818 -4.697 1.00 50.30 H new ATOM 0 HH11 ARG A 75 -13.887 10.318 -1.700 1.00 61.10 H new ATOM 0 HH12 ARG A 75 -13.418 8.691 -2.203 1.00 61.10 H new ATOM 0 HH21 ARG A 75 -12.187 9.722 -5.342 1.00 52.40 H new ATOM 0 HH22 ARG A 75 -12.460 8.357 -4.255 1.00 52.40 H new ATOM 1252 N SER A 76 -14.150 14.857 2.002 1.00 14.20 N ATOM 1253 CA SER A 76 -15.130 15.464 2.890 1.00 52.20 C ATOM 1254 C SER A 76 -14.700 16.870 3.296 1.00 24.20 C ATOM 1255 O SER A 76 -15.510 17.799 3.296 1.00 63.30 O ATOM 1256 CB SER A 76 -15.330 14.598 4.136 1.00 53.20 C ATOM 1257 OG SER A 76 -16.070 13.427 3.835 1.00 61.50 O ATOM 0 H SER A 76 -13.734 13.997 2.359 1.00 14.20 H new ATOM 0 HA SER A 76 -16.075 15.534 2.351 1.00 52.20 H new ATOM 0 HB2 SER A 76 -14.360 14.322 4.549 1.00 53.20 H new ATOM 0 HB3 SER A 76 -15.851 15.173 4.902 1.00 53.20 H new ATOM 0 HG SER A 76 -15.453 12.688 3.654 1.00 61.50 H new ATOM 1263 N LYS A 77 -13.430 17.019 3.640 1.00 32.40 N ATOM 1264 CA LYS A 77 -12.890 18.313 4.048 1.00 62.30 C ATOM 1265 C LYS A 77 -12.950 19.313 2.897 1.00 12.40 C ATOM 1266 O LYS A 77 -13.400 20.457 3.131 1.00 4.43 O ATOM 1267 CB LYS A 77 -11.450 18.161 4.534 1.00 21.40 C ATOM 1268 CG LYS A 77 -11.050 19.189 5.580 1.00 33.30 C ATOM 1269 CD LYS A 77 -9.697 18.867 6.185 1.00 1.20 C ATOM 1270 CE LYS A 77 -9.171 20.025 7.016 1.00 63.50 C ATOM 1271 NZ LYS A 77 -9.425 19.825 8.470 1.00 64.30 N ATOM 1272 OXT LYS A 77 -12.550 18.944 1.774 1.00 38.00 O ATOM 0 H LYS A 77 -12.750 16.259 3.646 1.00 32.40 H new ATOM 0 HA LYS A 77 -13.501 18.691 4.867 1.00 62.30 H new ATOM 0 HB2 LYS A 77 -11.319 17.162 4.950 1.00 21.40 H new ATOM 0 HB3 LYS A 77 -10.777 18.242 3.681 1.00 21.40 H new ATOM 0 HG2 LYS A 77 -11.021 20.179 5.126 1.00 33.30 H new ATOM 0 HG3 LYS A 77 -11.803 19.221 6.367 1.00 33.30 H new ATOM 0 HD2 LYS A 77 -9.778 17.977 6.809 1.00 1.20 H new ATOM 0 HD3 LYS A 77 -8.987 18.636 5.391 1.00 1.20 H new ATOM 0 HE2 LYS A 77 -8.100 20.137 6.846 1.00 63.50 H new ATOM 0 HE3 LYS A 77 -9.644 20.951 6.689 1.00 63.50 H new ATOM 0 HZ1 LYS A 77 -9.051 20.636 9.003 1.00 64.30 H new ATOM 0 HZ2 LYS A 77 -10.449 19.744 8.636 1.00 64.30 H new ATOM 0 HZ3 LYS A 77 -8.953 18.955 8.788 1.00 64.30 H new TER 1286 LYS A 77