USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 725 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 77 LYS NZ :NH3+ -113:sc= -2.82! (180deg=-5.02!) USER MOD Set 1.2: A 82 CYS SG : rot 180:sc= -2.28! USER MOD Set 1.3: A 86 THR OG1 : rot 93:sc= 0.569 USER MOD Set 2.1: A 46 CYS SG : rot 160:sc= 0.0836 USER MOD Set 2.2: A 69 MET CE :methyl -168:sc= -3.39! (180deg=0) USER MOD Set 2.3: A 79 CYS SG : rot 179:sc= -3.43! USER MOD Set 3.1: A 74 THR OG1 : rot 101:sc= 1.35 USER MOD Set 3.2: A 78 SER OG : rot -157:sc= -0.464! USER MOD Set 4.1: A 21 ASN : amide:sc= -6.25! C(o=-10!,f=-12!) USER MOD Set 4.2: A 23 SER OG : rot 167:sc= -3! USER MOD Set 4.3: A 24 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 3 LYS NZ :NH3+ 156:sc=-0.00635 (180deg=-0.662) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -127:sc= -4.51! (180deg=-8.05!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00378 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -2.09 F(o=-4.3!,f=-2.1) USER MOD Single : A 25 HIS : no HE2:sc= -9.92! C(o=-9.9!,f=-17!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-3.2!) USER MOD Single : A 35 HIS : no HD1:sc= -7.27! C(o=-7.3!,f=-7!) USER MOD Single : A 43 TYR OH : rot 141:sc= -0.572 USER MOD Single : A 44 GLN : amide:sc= -6.33! C(o=-6.3!,f=-7.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 170:sc= 0.114 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.9!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.837 F(o=-2.3!,f=-0.84) USER MOD Single : A 55 MET CE :methyl -177:sc= -0.286 (180deg=-0.313) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0114) USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= 0.0813 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 72:sc= -1.43! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -11.1! C(o=-11!,f=-17!) USER MOD Single : A 70 HIS : no HE2:sc= -6.09! C(o=-6.1!,f=-17!) USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0128) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0.99 (180deg=0.89) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 13:sc= 0.409 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.207 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -0.388 (180deg=-0.757) USER MOD Single : A 103 SER OG : rot -134:sc= 0.491! USER MOD Single : A 104 LYS NZ :NH3+ -106:sc=-0.00283 (180deg=-0.102) USER MOD Single : A 105 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 106 HIS :FLIP no HD1:sc= -1.15 F(o=-2.1,f=-1.2) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.645 12.333 2.628 1.00 0.00 N ATOM 14 CA PRO A 2 16.462 12.207 3.515 1.00 0.00 C ATOM 15 C PRO A 2 16.769 11.290 4.697 1.00 0.00 C ATOM 16 O PRO A 2 17.492 10.320 4.571 1.00 0.00 O ATOM 17 CB PRO A 2 15.404 11.576 2.616 1.00 0.00 C ATOM 18 CG PRO A 2 16.175 10.853 1.557 1.00 0.00 C ATOM 19 CD PRO A 2 17.476 11.592 1.373 1.00 0.00 C ATOM 0 HA PRO A 2 16.149 13.161 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.767 10.892 3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.753 12.334 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.357 9.819 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.613 10.824 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.304 10.905 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.436 12.264 0.515 1.00 0.00 H new ATOM 27 N LYS A 3 16.216 11.577 5.840 1.00 0.00 N ATOM 28 CA LYS A 3 16.467 10.707 7.020 1.00 0.00 C ATOM 29 C LYS A 3 15.236 9.858 7.311 1.00 0.00 C ATOM 30 O LYS A 3 14.383 10.220 8.096 1.00 0.00 O ATOM 31 CB LYS A 3 16.734 11.649 8.179 1.00 0.00 C ATOM 32 CG LYS A 3 17.847 12.630 7.804 1.00 0.00 C ATOM 33 CD LYS A 3 17.469 14.036 8.272 1.00 0.00 C ATOM 34 CE LYS A 3 18.721 14.916 8.310 1.00 0.00 C ATOM 35 NZ LYS A 3 19.226 14.925 6.909 1.00 0.00 N ATOM 0 H LYS A 3 15.602 12.374 6.008 1.00 0.00 H new ATOM 0 HA LYS A 3 17.304 10.029 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.825 12.195 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.021 11.080 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.787 12.323 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 3 18.003 12.624 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.728 14.468 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.013 13.991 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.485 15.924 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.466 14.513 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.798 15.779 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.812 14.081 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.421 14.920 6.250 1.00 0.00 H new ATOM 49 N ALA A 4 15.145 8.734 6.677 1.00 0.00 N ATOM 50 CA ALA A 4 13.974 7.837 6.898 1.00 0.00 C ATOM 51 C ALA A 4 13.598 7.823 8.381 1.00 0.00 C ATOM 52 O ALA A 4 14.457 7.795 9.240 1.00 0.00 O ATOM 53 CB ALA A 4 14.444 6.452 6.450 1.00 0.00 C ATOM 0 H ALA A 4 15.833 8.389 6.008 1.00 0.00 H new ATOM 0 HA ALA A 4 13.092 8.163 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.635 5.733 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.730 6.487 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.302 6.147 7.049 1.00 0.00 H new ATOM 59 N PRO A 5 12.318 7.849 8.632 1.00 0.00 N ATOM 60 CA PRO A 5 11.819 7.843 10.021 1.00 0.00 C ATOM 61 C PRO A 5 11.883 6.440 10.621 1.00 0.00 C ATOM 62 O PRO A 5 11.968 5.451 9.920 1.00 0.00 O ATOM 63 CB PRO A 5 10.382 8.336 9.890 1.00 0.00 C ATOM 64 CG PRO A 5 9.972 8.039 8.478 1.00 0.00 C ATOM 65 CD PRO A 5 11.230 7.880 7.651 1.00 0.00 C ATOM 0 HA PRO A 5 12.412 8.467 10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.729 7.830 10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.315 9.403 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.372 7.130 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.355 8.846 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.203 6.964 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.351 8.707 6.951 1.00 0.00 H new ATOM 73 N ALA A 6 11.856 6.356 11.919 1.00 0.00 N ATOM 74 CA ALA A 6 11.928 5.032 12.588 1.00 0.00 C ATOM 75 C ALA A 6 10.795 4.131 12.112 1.00 0.00 C ATOM 76 O ALA A 6 9.705 4.578 11.814 1.00 0.00 O ATOM 77 CB ALA A 6 11.783 5.330 14.080 1.00 0.00 C ATOM 0 H ALA A 6 11.787 7.155 12.550 1.00 0.00 H new ATOM 0 HA ALA A 6 12.859 4.512 12.364 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.826 4.398 14.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.593 5.986 14.400 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.826 5.820 14.262 1.00 0.00 H new ATOM 83 N ASP A 7 11.050 2.861 12.049 1.00 0.00 N ATOM 84 CA ASP A 7 10.005 1.905 11.608 1.00 0.00 C ATOM 85 C ASP A 7 8.831 1.957 12.579 1.00 0.00 C ATOM 86 O ASP A 7 8.952 2.426 13.694 1.00 0.00 O ATOM 87 CB ASP A 7 10.677 0.533 11.654 1.00 0.00 C ATOM 88 CG ASP A 7 12.076 0.625 11.043 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.194 1.177 9.961 1.00 0.00 O ATOM 90 OD2 ASP A 7 13.007 0.143 11.668 1.00 0.00 O ATOM 0 H ASP A 7 11.947 2.439 12.287 1.00 0.00 H new ATOM 0 HA ASP A 7 9.619 2.131 10.614 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.742 0.183 12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.078 -0.195 11.107 1.00 0.00 H new ATOM 95 N GLY A 8 7.701 1.479 12.168 1.00 0.00 N ATOM 96 CA GLY A 8 6.515 1.493 13.066 1.00 0.00 C ATOM 97 C GLY A 8 5.610 2.674 12.717 1.00 0.00 C ATOM 98 O GLY A 8 4.745 3.049 13.484 1.00 0.00 O ATOM 0 H GLY A 8 7.541 1.076 11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.962 0.559 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.836 1.565 14.105 1.00 0.00 H new ATOM 102 N LEU A 9 5.786 3.257 11.564 1.00 0.00 N ATOM 103 CA LEU A 9 4.917 4.398 11.180 1.00 0.00 C ATOM 104 C LEU A 9 3.466 3.936 11.188 1.00 0.00 C ATOM 105 O LEU A 9 3.170 2.798 11.492 1.00 0.00 O ATOM 106 CB LEU A 9 5.347 4.784 9.763 1.00 0.00 C ATOM 107 CG LEU A 9 5.812 6.243 9.750 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.050 6.375 8.863 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.696 7.138 9.197 1.00 0.00 C ATOM 0 H LEU A 9 6.491 2.993 10.876 1.00 0.00 H new ATOM 0 HA LEU A 9 5.006 5.243 11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.152 4.132 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.516 4.650 9.070 1.00 0.00 H new ATOM 0 HG LEU A 9 6.054 6.552 10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.382 7.413 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.847 5.743 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.805 6.063 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.031 8.175 9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.451 6.829 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.811 7.047 9.827 1.00 0.00 H new ATOM 121 N LYS A 10 2.562 4.799 10.853 1.00 0.00 N ATOM 122 CA LYS A 10 1.133 4.396 10.838 1.00 0.00 C ATOM 123 C LYS A 10 0.347 5.240 9.844 1.00 0.00 C ATOM 124 O LYS A 10 0.056 6.395 10.081 1.00 0.00 O ATOM 125 CB LYS A 10 0.627 4.643 12.252 1.00 0.00 C ATOM 126 CG LYS A 10 0.806 3.373 13.083 1.00 0.00 C ATOM 127 CD LYS A 10 -0.138 3.410 14.287 1.00 0.00 C ATOM 128 CE LYS A 10 0.616 2.961 15.542 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.334 3.196 16.665 1.00 0.00 N ATOM 0 H LYS A 10 2.746 5.767 10.588 1.00 0.00 H new ATOM 0 HA LYS A 10 1.013 3.355 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.174 5.469 12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.424 4.931 12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.598 2.494 12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.839 3.290 13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.528 4.418 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.994 2.758 14.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.900 1.910 15.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.535 3.532 15.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.111 2.912 17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.581 4.205 16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.196 2.635 16.513 1.00 0.00 H new ATOM 143 N MET A 11 -0.024 4.658 8.747 1.00 0.00 N ATOM 144 CA MET A 11 -0.822 5.407 7.746 1.00 0.00 C ATOM 145 C MET A 11 -2.274 5.397 8.204 1.00 0.00 C ATOM 146 O MET A 11 -2.971 4.420 8.044 1.00 0.00 O ATOM 147 CB MET A 11 -0.659 4.631 6.436 1.00 0.00 C ATOM 148 CG MET A 11 0.277 5.391 5.495 1.00 0.00 C ATOM 149 SD MET A 11 -0.311 7.091 5.292 1.00 0.00 S ATOM 150 CE MET A 11 0.790 7.545 3.931 1.00 0.00 C ATOM 0 H MET A 11 0.191 3.693 8.498 1.00 0.00 H new ATOM 0 HA MET A 11 -0.507 6.443 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.258 3.638 6.639 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.631 4.491 5.962 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.290 5.392 5.897 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.319 4.892 4.527 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.324 8.461 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.507 6.742 3.760 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.203 7.706 3.027 1.00 0.00 H new ATOM 160 N ASP A 12 -2.724 6.456 8.809 1.00 0.00 N ATOM 161 CA ASP A 12 -4.133 6.472 9.307 1.00 0.00 C ATOM 162 C ASP A 12 -5.000 7.412 8.478 1.00 0.00 C ATOM 163 O ASP A 12 -6.048 7.852 8.908 1.00 0.00 O ATOM 164 CB ASP A 12 -4.039 6.961 10.748 1.00 0.00 C ATOM 165 CG ASP A 12 -3.033 8.110 10.844 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.993 8.916 9.930 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.319 8.165 11.833 1.00 0.00 O ATOM 0 H ASP A 12 -2.187 7.306 8.982 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.596 5.488 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.018 7.294 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.733 6.143 11.400 1.00 0.00 H new ATOM 172 N LYS A 13 -4.579 7.714 7.291 1.00 0.00 N ATOM 173 CA LYS A 13 -5.383 8.614 6.426 1.00 0.00 C ATOM 174 C LYS A 13 -6.791 8.044 6.238 1.00 0.00 C ATOM 175 O LYS A 13 -7.743 8.764 6.015 1.00 0.00 O ATOM 176 CB LYS A 13 -4.632 8.628 5.101 1.00 0.00 C ATOM 177 CG LYS A 13 -3.452 9.595 5.200 1.00 0.00 C ATOM 178 CD LYS A 13 -3.966 10.995 5.539 1.00 0.00 C ATOM 179 CE LYS A 13 -2.956 12.040 5.062 1.00 0.00 C ATOM 180 NZ LYS A 13 -3.159 13.210 5.960 1.00 0.00 N ATOM 0 H LYS A 13 -3.710 7.377 6.878 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.501 9.612 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.277 7.626 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.299 8.932 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.754 9.257 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.905 9.615 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.932 11.164 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.120 11.087 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.936 11.663 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.128 12.308 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.500 13.970 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.137 13.552 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.982 12.927 6.945 1.00 0.00 H new ATOM 194 N THR A 14 -6.922 6.749 6.327 1.00 0.00 N ATOM 195 CA THR A 14 -8.264 6.114 6.152 1.00 0.00 C ATOM 196 C THR A 14 -8.726 5.460 7.457 1.00 0.00 C ATOM 197 O THR A 14 -8.022 5.458 8.447 1.00 0.00 O ATOM 198 CB THR A 14 -8.065 5.046 5.077 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.993 4.192 5.451 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.742 5.717 3.745 1.00 0.00 C ATOM 0 H THR A 14 -6.158 6.100 6.514 1.00 0.00 H new ATOM 0 HA THR A 14 -9.022 6.846 5.874 1.00 0.00 H new ATOM 0 HB THR A 14 -8.978 4.459 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.866 3.506 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.600 4.955 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.565 6.371 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.830 6.305 3.845 1.00 0.00 H new ATOM 208 N LYS A 15 -9.903 4.893 7.458 1.00 0.00 N ATOM 209 CA LYS A 15 -10.410 4.226 8.690 1.00 0.00 C ATOM 210 C LYS A 15 -9.548 3.001 8.995 1.00 0.00 C ATOM 211 O LYS A 15 -9.466 2.546 10.118 1.00 0.00 O ATOM 212 CB LYS A 15 -11.842 3.807 8.357 1.00 0.00 C ATOM 213 CG LYS A 15 -12.822 4.826 8.942 1.00 0.00 C ATOM 214 CD LYS A 15 -13.652 5.441 7.813 1.00 0.00 C ATOM 215 CE LYS A 15 -14.704 6.380 8.406 1.00 0.00 C ATOM 216 NZ LYS A 15 -14.179 7.751 8.156 1.00 0.00 N ATOM 0 H LYS A 15 -10.535 4.864 6.658 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.376 4.876 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.971 3.742 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.046 2.816 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.476 4.342 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.278 5.606 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.005 5.989 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.136 4.655 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.675 6.236 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.840 6.198 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.846 8.453 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.258 7.861 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.066 7.898 7.133 1.00 0.00 H new ATOM 230 N GLN A 16 -8.897 2.472 7.995 1.00 0.00 N ATOM 231 CA GLN A 16 -8.027 1.283 8.210 1.00 0.00 C ATOM 232 C GLN A 16 -6.560 1.715 8.194 1.00 0.00 C ATOM 233 O GLN A 16 -5.896 1.617 7.183 1.00 0.00 O ATOM 234 CB GLN A 16 -8.327 0.350 7.037 1.00 0.00 C ATOM 235 CG GLN A 16 -9.719 -0.259 7.214 1.00 0.00 C ATOM 236 CD GLN A 16 -10.172 -0.888 5.895 1.00 0.00 C ATOM 237 OE1 GLN A 16 -11.247 -0.598 5.407 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.392 -1.744 5.292 1.00 0.00 N ATOM 0 H GLN A 16 -8.931 2.814 7.035 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.212 0.795 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.276 0.901 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.577 -0.439 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.700 -1.013 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.427 0.509 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.490 -1.988 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.685 -2.169 4.412 1.00 0.00 H new ATOM 247 N PRO A 17 -6.107 2.195 9.320 1.00 0.00 N ATOM 248 CA PRO A 17 -4.705 2.668 9.442 1.00 0.00 C ATOM 249 C PRO A 17 -3.719 1.501 9.348 1.00 0.00 C ATOM 250 O PRO A 17 -3.936 0.441 9.900 1.00 0.00 O ATOM 251 CB PRO A 17 -4.663 3.310 10.826 1.00 0.00 C ATOM 252 CG PRO A 17 -5.771 2.654 11.584 1.00 0.00 C ATOM 253 CD PRO A 17 -6.846 2.338 10.578 1.00 0.00 C ATOM 0 HA PRO A 17 -4.421 3.357 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.700 3.145 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.809 4.389 10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.421 1.747 12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.151 3.313 12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.380 1.424 10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.588 3.135 10.519 1.00 0.00 H new ATOM 261 N VAL A 18 -2.634 1.695 8.648 1.00 0.00 N ATOM 262 CA VAL A 18 -1.627 0.612 8.509 1.00 0.00 C ATOM 263 C VAL A 18 -0.250 1.110 8.953 1.00 0.00 C ATOM 264 O VAL A 18 0.129 2.234 8.696 1.00 0.00 O ATOM 265 CB VAL A 18 -1.618 0.283 7.019 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.364 -0.521 6.689 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.860 -0.538 6.671 1.00 0.00 C ATOM 0 H VAL A 18 -2.404 2.563 8.165 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.863 -0.257 9.123 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.622 1.206 6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.353 -0.758 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.520 0.065 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.362 -1.445 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.854 -0.773 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.858 -1.463 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.755 0.036 6.911 1.00 0.00 H new ATOM 277 N VAL A 19 0.499 0.277 9.617 1.00 0.00 N ATOM 278 CA VAL A 19 1.852 0.695 10.077 1.00 0.00 C ATOM 279 C VAL A 19 2.903 0.329 9.026 1.00 0.00 C ATOM 280 O VAL A 19 2.981 -0.799 8.583 1.00 0.00 O ATOM 281 CB VAL A 19 2.087 -0.097 11.361 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.473 0.231 11.919 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.021 0.273 12.394 1.00 0.00 C ATOM 0 H VAL A 19 0.233 -0.677 9.862 1.00 0.00 H new ATOM 0 HA VAL A 19 1.923 1.771 10.237 1.00 0.00 H new ATOM 0 HB VAL A 19 2.026 -1.163 11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.640 -0.335 12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.233 -0.036 11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.535 1.298 12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.190 -0.293 13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.079 1.340 12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.033 0.036 11.998 1.00 0.00 H new ATOM 293 N PHE A 20 3.718 1.269 8.626 1.00 0.00 N ATOM 294 CA PHE A 20 4.763 0.952 7.611 1.00 0.00 C ATOM 295 C PHE A 20 6.146 0.953 8.261 1.00 0.00 C ATOM 296 O PHE A 20 6.621 1.966 8.733 1.00 0.00 O ATOM 297 CB PHE A 20 4.670 2.056 6.555 1.00 0.00 C ATOM 298 CG PHE A 20 5.775 1.855 5.546 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.740 0.749 4.692 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.836 2.767 5.464 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.760 0.554 3.756 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.856 2.570 4.527 1.00 0.00 C ATOM 303 CZ PHE A 20 7.818 1.465 3.674 1.00 0.00 C ATOM 0 H PHE A 20 3.706 2.234 8.955 1.00 0.00 H new ATOM 0 HA PHE A 20 4.612 -0.034 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.698 2.027 6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.760 3.036 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.924 0.044 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.866 3.621 6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.731 -0.300 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.673 3.273 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.606 1.314 2.951 1.00 0.00 H new ATOM 313 N ASN A 21 6.795 -0.177 8.290 1.00 0.00 N ATOM 314 CA ASN A 21 8.142 -0.247 8.907 1.00 0.00 C ATOM 315 C ASN A 21 9.218 -0.039 7.841 1.00 0.00 C ATOM 316 O ASN A 21 9.568 -0.949 7.116 1.00 0.00 O ATOM 317 CB ASN A 21 8.218 -1.662 9.465 1.00 0.00 C ATOM 318 CG ASN A 21 8.307 -1.618 10.992 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.300 -2.021 11.566 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.304 -1.146 11.678 1.00 0.00 N ATOM 0 H ASN A 21 6.446 -1.057 7.910 1.00 0.00 H new ATOM 0 HA ASN A 21 8.300 0.515 9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.339 -2.230 9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.088 -2.177 9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.352 -1.115 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.471 -0.808 11.196 1.00 0.00 H new ATOM 327 N HIS A 22 9.751 1.148 7.738 1.00 0.00 N ATOM 328 CA HIS A 22 10.806 1.389 6.716 1.00 0.00 C ATOM 329 C HIS A 22 11.867 0.290 6.812 1.00 0.00 C ATOM 330 O HIS A 22 12.459 -0.104 5.827 1.00 0.00 O ATOM 331 CB HIS A 22 11.411 2.746 7.072 1.00 0.00 C ATOM 332 CG HIS A 22 10.594 3.856 6.463 1.00 0.00 C ATOM 333 ND1 HIS A 22 10.499 4.335 5.175 1.00 0.00 N flip ATOM 334 CD2 HIS A 22 9.769 4.666 7.228 1.00 0.00 C flip ATOM 335 CE1 HIS A 22 9.642 5.432 5.150 1.00 0.00 C flip ATOM 336 NE2 HIS A 22 9.229 5.586 6.409 1.00 0.00 N flip ATOM 0 H HIS A 22 9.504 1.954 8.312 1.00 0.00 H new ATOM 0 HA HIS A 22 10.412 1.380 5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.447 2.863 8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.438 2.800 6.711 1.00 0.00 H new ATOM 0 HD1 HIS A 22 10.982 3.946 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.592 4.575 8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.370 6.031 4.294 1.00 0.00 H new ATOM 344 N SER A 23 12.102 -0.215 7.995 1.00 0.00 N ATOM 345 CA SER A 23 13.116 -1.296 8.157 1.00 0.00 C ATOM 346 C SER A 23 12.861 -2.399 7.130 1.00 0.00 C ATOM 347 O SER A 23 13.773 -2.917 6.518 1.00 0.00 O ATOM 348 CB SER A 23 12.908 -1.827 9.575 1.00 0.00 C ATOM 349 OG SER A 23 11.551 -1.640 9.952 1.00 0.00 O ATOM 0 H SER A 23 11.636 0.075 8.855 1.00 0.00 H new ATOM 0 HA SER A 23 14.135 -0.940 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.168 -2.885 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.566 -1.306 10.271 1.00 0.00 H new ATOM 0 HG SER A 23 11.361 -2.163 10.759 1.00 0.00 H new ATOM 355 N THR A 24 11.621 -2.752 6.927 1.00 0.00 N ATOM 356 CA THR A 24 11.301 -3.811 5.931 1.00 0.00 C ATOM 357 C THR A 24 11.373 -3.229 4.520 1.00 0.00 C ATOM 358 O THR A 24 11.109 -3.903 3.544 1.00 0.00 O ATOM 359 CB THR A 24 9.873 -4.254 6.259 1.00 0.00 C ATOM 360 OG1 THR A 24 9.453 -3.641 7.470 1.00 0.00 O ATOM 361 CG2 THR A 24 9.830 -5.775 6.411 1.00 0.00 C ATOM 0 H THR A 24 10.816 -2.352 7.409 1.00 0.00 H new ATOM 0 HA THR A 24 11.999 -4.647 5.973 1.00 0.00 H new ATOM 0 HB THR A 24 9.206 -3.954 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.538 -3.923 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.813 -6.089 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.149 -6.243 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.498 -6.079 7.217 1.00 0.00 H new ATOM 369 N HIS A 25 11.713 -1.976 4.407 1.00 0.00 N ATOM 370 CA HIS A 25 11.786 -1.342 3.072 1.00 0.00 C ATOM 371 C HIS A 25 13.142 -0.663 2.866 1.00 0.00 C ATOM 372 O HIS A 25 13.480 -0.254 1.772 1.00 0.00 O ATOM 373 CB HIS A 25 10.653 -0.329 3.100 1.00 0.00 C ATOM 374 CG HIS A 25 9.368 -1.070 3.319 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.866 -1.315 4.589 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.490 -1.665 2.448 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.737 -2.031 4.447 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.465 -2.273 3.163 1.00 0.00 N ATOM 0 H HIS A 25 11.944 -1.364 5.190 1.00 0.00 H new ATOM 0 HA HIS A 25 11.691 -2.053 2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.813 0.398 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.617 0.227 2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.278 -1.008 5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.582 -1.661 1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.125 -2.369 5.271 1.00 0.00 H new ATOM 386 N LYS A 26 13.931 -0.550 3.899 1.00 0.00 N ATOM 387 CA LYS A 26 15.267 0.092 3.740 1.00 0.00 C ATOM 388 C LYS A 26 15.999 -0.540 2.555 1.00 0.00 C ATOM 389 O LYS A 26 16.809 0.088 1.903 1.00 0.00 O ATOM 390 CB LYS A 26 16.009 -0.194 5.046 1.00 0.00 C ATOM 391 CG LYS A 26 15.233 0.409 6.216 1.00 0.00 C ATOM 392 CD LYS A 26 16.153 0.529 7.432 1.00 0.00 C ATOM 393 CE LYS A 26 15.419 1.261 8.558 1.00 0.00 C ATOM 394 NZ LYS A 26 15.985 2.639 8.553 1.00 0.00 N ATOM 0 H LYS A 26 13.710 -0.872 4.841 1.00 0.00 H new ATOM 0 HA LYS A 26 15.197 1.162 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.120 -1.269 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.013 0.228 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.846 1.390 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.374 -0.217 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.460 -0.461 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.060 1.070 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.343 1.275 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.580 0.771 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.531 3.204 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.009 2.594 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.810 3.083 7.629 1.00 0.00 H new ATOM 408 N ALA A 27 15.709 -1.780 2.270 1.00 0.00 N ATOM 409 CA ALA A 27 16.375 -2.460 1.124 1.00 0.00 C ATOM 410 C ALA A 27 15.619 -2.153 -0.171 1.00 0.00 C ATOM 411 O ALA A 27 16.057 -2.488 -1.254 1.00 0.00 O ATOM 412 CB ALA A 27 16.302 -3.952 1.447 1.00 0.00 C ATOM 0 H ALA A 27 15.038 -2.352 2.783 1.00 0.00 H new ATOM 0 HA ALA A 27 17.404 -2.128 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.774 -4.521 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.821 -4.147 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.259 -4.253 1.540 1.00 0.00 H new ATOM 418 N VAL A 28 14.490 -1.506 -0.065 1.00 0.00 N ATOM 419 CA VAL A 28 13.709 -1.164 -1.286 1.00 0.00 C ATOM 420 C VAL A 28 14.281 0.100 -1.910 1.00 0.00 C ATOM 421 O VAL A 28 15.189 0.706 -1.379 1.00 0.00 O ATOM 422 CB VAL A 28 12.282 -0.923 -0.792 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.444 -0.292 -1.904 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.654 -2.256 -0.380 1.00 0.00 C ATOM 0 H VAL A 28 14.075 -1.200 0.815 1.00 0.00 H new ATOM 0 HA VAL A 28 13.743 -1.948 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 28 12.310 -0.248 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.429 -0.124 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.887 0.659 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.417 -0.961 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.637 -2.085 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.633 -2.929 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.244 -2.705 0.419 1.00 0.00 H new ATOM 434 N LYS A 29 13.762 0.514 -3.025 1.00 0.00 N ATOM 435 CA LYS A 29 14.294 1.746 -3.652 1.00 0.00 C ATOM 436 C LYS A 29 13.535 2.956 -3.134 1.00 0.00 C ATOM 437 O LYS A 29 12.409 3.211 -3.509 1.00 0.00 O ATOM 438 CB LYS A 29 14.073 1.590 -5.144 1.00 0.00 C ATOM 439 CG LYS A 29 15.426 1.534 -5.849 1.00 0.00 C ATOM 440 CD LYS A 29 15.887 0.080 -5.964 1.00 0.00 C ATOM 441 CE LYS A 29 17.380 -0.010 -5.641 1.00 0.00 C ATOM 442 NZ LYS A 29 18.032 -0.356 -6.934 1.00 0.00 N ATOM 0 H LYS A 29 12.999 0.058 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 29 15.349 1.891 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.506 0.681 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.485 2.425 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.349 1.981 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.161 2.116 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.318 -0.548 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.699 -0.294 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.757 0.935 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.575 -0.770 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.059 -0.436 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.658 -1.263 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.834 0.389 -7.633 1.00 0.00 H new ATOM 456 N CYS A 30 14.151 3.700 -2.280 1.00 0.00 N ATOM 457 CA CYS A 30 13.479 4.911 -1.732 1.00 0.00 C ATOM 458 C CYS A 30 12.830 5.690 -2.878 1.00 0.00 C ATOM 459 O CYS A 30 11.900 6.447 -2.684 1.00 0.00 O ATOM 460 CB CYS A 30 14.589 5.737 -1.081 1.00 0.00 C ATOM 461 SG CYS A 30 14.996 5.033 0.537 1.00 0.00 S ATOM 0 H CYS A 30 15.094 3.529 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 30 12.697 4.666 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.473 5.745 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.268 6.773 -0.969 1.00 0.00 H new ATOM 0 HG CYS A 30 15.941 5.734 1.090 1.00 0.00 H new ATOM 466 N GLY A 31 13.318 5.501 -4.075 1.00 0.00 N ATOM 467 CA GLY A 31 12.737 6.219 -5.243 1.00 0.00 C ATOM 468 C GLY A 31 11.591 5.393 -5.830 1.00 0.00 C ATOM 469 O GLY A 31 10.809 5.876 -6.619 1.00 0.00 O ATOM 0 H GLY A 31 14.096 4.878 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.373 7.200 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.504 6.386 -5.999 1.00 0.00 H new ATOM 473 N ASP A 32 11.470 4.152 -5.446 1.00 0.00 N ATOM 474 CA ASP A 32 10.356 3.327 -5.985 1.00 0.00 C ATOM 475 C ASP A 32 9.078 3.683 -5.226 1.00 0.00 C ATOM 476 O ASP A 32 7.993 3.679 -5.772 1.00 0.00 O ATOM 477 CB ASP A 32 10.773 1.878 -5.740 1.00 0.00 C ATOM 478 CG ASP A 32 10.634 1.086 -7.042 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.664 1.307 -7.746 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.504 0.276 -7.312 1.00 0.00 O ATOM 0 H ASP A 32 12.089 3.678 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 32 10.163 3.494 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.803 1.839 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.151 1.435 -4.963 1.00 0.00 H new ATOM 485 N CYS A 33 9.211 4.036 -3.976 1.00 0.00 N ATOM 486 CA CYS A 33 8.022 4.448 -3.181 1.00 0.00 C ATOM 487 C CYS A 33 7.885 5.967 -3.290 1.00 0.00 C ATOM 488 O CYS A 33 6.890 6.482 -3.761 1.00 0.00 O ATOM 489 CB CYS A 33 8.329 4.029 -1.742 1.00 0.00 C ATOM 490 SG CYS A 33 7.939 2.277 -1.520 1.00 0.00 S ATOM 0 H CYS A 33 10.097 4.056 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 33 7.092 3.995 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.380 4.209 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.747 4.632 -1.045 1.00 0.00 H new ATOM 0 HG CYS A 33 8.204 1.925 -0.297 1.00 0.00 H new ATOM 495 N HIS A 34 8.905 6.686 -2.895 1.00 0.00 N ATOM 496 CA HIS A 34 8.865 8.170 -3.015 1.00 0.00 C ATOM 497 C HIS A 34 9.398 8.557 -4.395 1.00 0.00 C ATOM 498 O HIS A 34 10.203 9.455 -4.527 1.00 0.00 O ATOM 499 CB HIS A 34 9.807 8.702 -1.932 1.00 0.00 C ATOM 500 CG HIS A 34 9.234 8.450 -0.562 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.078 9.069 -0.113 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.669 7.670 0.480 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.862 8.658 1.152 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.804 7.805 1.561 1.00 0.00 N ATOM 0 H HIS A 34 9.763 6.307 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 34 7.859 8.572 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.780 8.219 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.967 9.771 -2.074 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.497 9.718 -0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.550 7.046 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.029 8.979 1.760 1.00 0.00 H new ATOM 512 N HIS A 35 8.973 7.860 -5.417 1.00 0.00 N ATOM 513 CA HIS A 35 9.466 8.158 -6.795 1.00 0.00 C ATOM 514 C HIS A 35 9.739 9.654 -6.966 1.00 0.00 C ATOM 515 O HIS A 35 9.249 10.470 -6.212 1.00 0.00 O ATOM 516 CB HIS A 35 8.352 7.693 -7.728 1.00 0.00 C ATOM 517 CG HIS A 35 7.034 8.182 -7.220 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.607 9.457 -7.481 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.037 7.585 -6.482 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.401 9.607 -6.916 1.00 0.00 C ATOM 521 NE2 HIS A 35 5.000 8.496 -6.292 1.00 0.00 N ATOM 0 H HIS A 35 8.303 7.094 -5.356 1.00 0.00 H new ATOM 0 HA HIS A 35 10.408 7.652 -7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.527 8.070 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.348 6.605 -7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.056 6.571 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.822 10.518 -6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.126 8.347 -5.787 1.00 0.00 H new ATOM 529 N PRO A 36 10.535 9.955 -7.955 1.00 0.00 N ATOM 530 CA PRO A 36 10.919 11.363 -8.234 1.00 0.00 C ATOM 531 C PRO A 36 9.717 12.197 -8.677 1.00 0.00 C ATOM 532 O PRO A 36 9.313 12.172 -9.823 1.00 0.00 O ATOM 533 CB PRO A 36 11.949 11.237 -9.355 1.00 0.00 C ATOM 534 CG PRO A 36 11.639 9.929 -10.007 1.00 0.00 C ATOM 535 CD PRO A 36 11.142 9.023 -8.912 1.00 0.00 C ATOM 0 HA PRO A 36 11.309 11.873 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.867 12.062 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.966 11.253 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.885 10.050 -10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.525 9.512 -10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.417 8.300 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.955 8.454 -8.460 1.00 0.00 H new ATOM 602 N GLU A 41 12.219 13.163 -5.560 1.00 0.00 N ATOM 603 CA GLU A 41 11.396 12.147 -4.840 1.00 0.00 C ATOM 604 C GLU A 41 10.819 12.746 -3.562 1.00 0.00 C ATOM 605 O GLU A 41 11.533 13.015 -2.616 1.00 0.00 O ATOM 606 CB GLU A 41 12.353 11.008 -4.484 1.00 0.00 C ATOM 607 CG GLU A 41 12.667 10.183 -5.733 1.00 0.00 C ATOM 608 CD GLU A 41 14.050 9.546 -5.588 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.997 10.278 -5.352 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.139 8.336 -5.718 1.00 0.00 O ATOM 0 HA GLU A 41 10.563 11.804 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.274 11.413 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.907 10.372 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.911 9.410 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.638 10.818 -6.618 1.00 0.00 H new ATOM 617 N ASP A 42 9.534 12.943 -3.513 1.00 0.00 N ATOM 618 CA ASP A 42 8.935 13.508 -2.277 1.00 0.00 C ATOM 619 C ASP A 42 9.061 12.490 -1.150 1.00 0.00 C ATOM 620 O ASP A 42 8.283 11.564 -1.038 1.00 0.00 O ATOM 621 CB ASP A 42 7.472 13.759 -2.604 1.00 0.00 C ATOM 622 CG ASP A 42 7.361 14.898 -3.619 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.178 14.940 -4.524 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.462 15.710 -3.472 1.00 0.00 O ATOM 0 H ASP A 42 8.878 12.740 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 42 9.430 14.425 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.019 12.854 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.924 14.013 -1.696 1.00 0.00 H new ATOM 629 N TYR A 43 10.043 12.654 -0.320 1.00 0.00 N ATOM 630 CA TYR A 43 10.239 11.695 0.801 1.00 0.00 C ATOM 631 C TYR A 43 9.283 12.032 1.949 1.00 0.00 C ATOM 632 O TYR A 43 9.697 12.261 3.067 1.00 0.00 O ATOM 633 CB TYR A 43 11.693 11.886 1.239 1.00 0.00 C ATOM 634 CG TYR A 43 12.618 11.493 0.110 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.887 10.141 -0.139 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.208 12.482 -0.686 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.745 9.778 -1.183 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.068 12.118 -1.731 1.00 0.00 C ATOM 639 CZ TYR A 43 14.336 10.767 -1.979 1.00 0.00 C ATOM 640 OH TYR A 43 15.182 10.409 -3.008 1.00 0.00 O ATOM 0 H TYR A 43 10.723 13.413 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 43 10.037 10.665 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.866 12.925 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.901 11.280 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.432 9.378 0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.001 13.525 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.951 8.735 -1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.524 12.880 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 43 15.025 10.993 -3.779 1.00 0.00 H new ATOM 650 N GLN A 44 8.007 12.069 1.677 1.00 0.00 N ATOM 651 CA GLN A 44 7.026 12.398 2.753 1.00 0.00 C ATOM 652 C GLN A 44 5.908 11.354 2.796 1.00 0.00 C ATOM 653 O GLN A 44 5.790 10.520 1.922 1.00 0.00 O ATOM 654 CB GLN A 44 6.467 13.772 2.379 1.00 0.00 C ATOM 655 CG GLN A 44 6.083 13.786 0.899 1.00 0.00 C ATOM 656 CD GLN A 44 5.657 15.199 0.493 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.635 15.527 -0.676 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.315 16.056 1.417 1.00 0.00 N ATOM 0 H GLN A 44 7.601 11.886 0.759 1.00 0.00 H new ATOM 0 HA GLN A 44 7.488 12.403 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.596 14.000 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.210 14.544 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.927 13.461 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.270 13.084 0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.333 15.781 2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.030 17.000 1.157 1.00 0.00 H new ATOM 667 N LYS A 45 5.088 11.394 3.810 1.00 0.00 N ATOM 668 CA LYS A 45 3.983 10.402 3.914 1.00 0.00 C ATOM 669 C LYS A 45 3.297 10.227 2.560 1.00 0.00 C ATOM 670 O LYS A 45 2.891 11.180 1.925 1.00 0.00 O ATOM 671 CB LYS A 45 3.019 10.987 4.941 1.00 0.00 C ATOM 672 CG LYS A 45 3.418 10.523 6.343 1.00 0.00 C ATOM 673 CD LYS A 45 3.342 11.704 7.314 1.00 0.00 C ATOM 674 CE LYS A 45 1.887 11.926 7.736 1.00 0.00 C ATOM 675 NZ LYS A 45 1.935 12.067 9.218 1.00 0.00 N ATOM 0 H LYS A 45 5.136 12.071 4.571 1.00 0.00 H new ATOM 0 HA LYS A 45 4.340 9.416 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.034 12.076 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.000 10.671 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.756 9.723 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.429 10.115 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.960 11.508 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.736 12.603 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.472 12.818 7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.257 11.087 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.974 12.222 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.329 11.200 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.536 12.877 9.470 1.00 0.00 H new ATOM 689 N CYS A 46 3.171 9.009 2.114 1.00 0.00 N ATOM 690 CA CYS A 46 2.517 8.753 0.801 1.00 0.00 C ATOM 691 C CYS A 46 1.291 9.647 0.621 1.00 0.00 C ATOM 692 O CYS A 46 1.052 10.185 -0.442 1.00 0.00 O ATOM 693 CB CYS A 46 2.104 7.284 0.856 1.00 0.00 C ATOM 694 SG CYS A 46 3.581 6.243 0.989 1.00 0.00 S ATOM 0 H CYS A 46 3.495 8.176 2.605 1.00 0.00 H new ATOM 0 HA CYS A 46 3.181 8.968 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.447 7.112 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.540 7.020 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 46 3.249 5.076 1.455 1.00 0.00 H new ATOM 699 N ALA A 47 0.507 9.801 1.648 1.00 0.00 N ATOM 700 CA ALA A 47 -0.714 10.649 1.537 1.00 0.00 C ATOM 701 C ALA A 47 -0.504 11.998 2.219 1.00 0.00 C ATOM 702 O ALA A 47 -1.205 12.353 3.147 1.00 0.00 O ATOM 703 CB ALA A 47 -1.802 9.866 2.253 1.00 0.00 C ATOM 0 H ALA A 47 0.658 9.376 2.563 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.966 10.859 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.737 10.425 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.937 8.901 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.514 9.710 3.293 1.00 0.00 H new ATOM 709 N THR A 48 0.448 12.752 1.764 1.00 0.00 N ATOM 710 CA THR A 48 0.705 14.086 2.375 1.00 0.00 C ATOM 711 C THR A 48 -0.592 14.902 2.423 1.00 0.00 C ATOM 712 O THR A 48 -1.675 14.378 2.259 1.00 0.00 O ATOM 713 CB THR A 48 1.727 14.754 1.455 1.00 0.00 C ATOM 714 OG1 THR A 48 2.552 13.758 0.866 1.00 0.00 O ATOM 715 CG2 THR A 48 2.590 15.721 2.267 1.00 0.00 C ATOM 0 H THR A 48 1.065 12.504 0.991 1.00 0.00 H new ATOM 0 HA THR A 48 1.070 14.009 3.399 1.00 0.00 H new ATOM 0 HB THR A 48 1.207 15.306 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.097 14.161 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.319 16.197 1.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.955 16.484 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.112 15.172 3.051 1.00 0.00 H new ATOM 723 N ALA A 49 -0.490 16.183 2.644 1.00 0.00 N ATOM 724 CA ALA A 49 -1.717 17.031 2.702 1.00 0.00 C ATOM 725 C ALA A 49 -2.253 17.287 1.292 1.00 0.00 C ATOM 726 O ALA A 49 -3.431 17.515 1.096 1.00 0.00 O ATOM 727 CB ALA A 49 -1.266 18.340 3.351 1.00 0.00 C ATOM 0 H ALA A 49 0.389 16.681 2.787 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.520 16.554 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.115 19.019 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.872 18.136 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.489 18.800 2.741 1.00 0.00 H new ATOM 733 N GLY A 50 -1.400 17.247 0.307 1.00 0.00 N ATOM 734 CA GLY A 50 -1.856 17.483 -1.092 1.00 0.00 C ATOM 735 C GLY A 50 -1.264 16.402 -1.990 1.00 0.00 C ATOM 736 O GLY A 50 -0.752 16.673 -3.058 1.00 0.00 O ATOM 0 H GLY A 50 -0.403 17.060 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.945 17.462 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.540 18.470 -1.431 1.00 0.00 H new ATOM 740 N CYS A 51 -1.319 15.178 -1.552 1.00 0.00 N ATOM 741 CA CYS A 51 -0.750 14.066 -2.358 1.00 0.00 C ATOM 742 C CYS A 51 -1.747 12.901 -2.423 1.00 0.00 C ATOM 743 O CYS A 51 -2.864 13.061 -2.873 1.00 0.00 O ATOM 744 CB CYS A 51 0.526 13.685 -1.605 1.00 0.00 C ATOM 745 SG CYS A 51 1.828 13.289 -2.792 1.00 0.00 S ATOM 0 H CYS A 51 -1.736 14.898 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.543 14.337 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.842 14.507 -0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.337 12.829 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 51 2.914 12.967 -2.154 1.00 0.00 H new ATOM 750 N HIS A 52 -1.370 11.734 -1.973 1.00 0.00 N ATOM 751 CA HIS A 52 -2.323 10.585 -2.011 1.00 0.00 C ATOM 752 C HIS A 52 -3.316 10.717 -0.855 1.00 0.00 C ATOM 753 O HIS A 52 -3.519 9.795 -0.091 1.00 0.00 O ATOM 754 CB HIS A 52 -1.466 9.333 -1.811 1.00 0.00 C ATOM 755 CG HIS A 52 -0.644 9.058 -3.031 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.220 8.904 -4.269 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.706 8.888 -3.218 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.236 8.650 -5.152 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.962 8.635 -4.560 1.00 0.00 N ATOM 0 H HIS A 52 -0.450 11.527 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.885 10.546 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.813 9.466 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.107 8.477 -1.597 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.215 8.970 -4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.454 8.943 -2.441 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.395 8.480 -6.207 1.00 0.00 H new ATOM 767 N ASP A 53 -3.924 11.863 -0.710 1.00 0.00 N ATOM 768 CA ASP A 53 -4.885 12.055 0.411 1.00 0.00 C ATOM 769 C ASP A 53 -6.332 11.999 -0.088 1.00 0.00 C ATOM 770 O ASP A 53 -7.221 12.558 0.523 1.00 0.00 O ATOM 771 CB ASP A 53 -4.568 13.443 0.967 1.00 0.00 C ATOM 772 CG ASP A 53 -4.786 14.494 -0.123 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.236 14.325 -1.199 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.498 15.449 0.136 1.00 0.00 O ATOM 0 H ASP A 53 -3.797 12.672 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.788 11.273 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.205 13.657 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.537 13.478 1.319 1.00 0.00 H new ATOM 779 N ASN A 54 -6.591 11.324 -1.176 1.00 0.00 N ATOM 780 CA ASN A 54 -7.997 11.247 -1.661 1.00 0.00 C ATOM 781 C ASN A 54 -8.750 10.197 -0.847 1.00 0.00 C ATOM 782 O ASN A 54 -8.581 9.009 -1.041 1.00 0.00 O ATOM 783 CB ASN A 54 -7.902 10.834 -3.130 1.00 0.00 C ATOM 784 CG ASN A 54 -8.872 11.676 -3.960 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.744 11.079 -4.725 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.836 12.890 -3.911 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.901 10.830 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.532 12.191 -1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.883 10.971 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.139 9.775 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.154 13.356 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.488 13.442 -4.468 1.00 0.00 H new ATOM 793 N MET A 55 -9.571 10.624 0.072 1.00 0.00 N ATOM 794 CA MET A 55 -10.322 9.647 0.909 1.00 0.00 C ATOM 795 C MET A 55 -11.527 9.100 0.141 1.00 0.00 C ATOM 796 O MET A 55 -12.563 8.817 0.711 1.00 0.00 O ATOM 797 CB MET A 55 -10.779 10.443 2.132 1.00 0.00 C ATOM 798 CG MET A 55 -9.638 10.514 3.148 1.00 0.00 C ATOM 799 SD MET A 55 -8.857 12.145 3.068 1.00 0.00 S ATOM 800 CE MET A 55 -7.151 11.594 3.311 1.00 0.00 C ATOM 0 H MET A 55 -9.754 11.606 0.279 1.00 0.00 H new ATOM 0 HA MET A 55 -9.711 8.788 1.186 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.078 11.448 1.834 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.652 9.970 2.582 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.020 10.331 4.152 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.903 9.737 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.491 12.460 3.350 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.077 11.040 4.247 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.855 10.950 2.483 1.00 0.00 H new ATOM 810 N ASP A 56 -11.398 8.937 -1.146 1.00 0.00 N ATOM 811 CA ASP A 56 -12.529 8.396 -1.947 1.00 0.00 C ATOM 812 C ASP A 56 -12.277 6.918 -2.248 1.00 0.00 C ATOM 813 O ASP A 56 -13.163 6.195 -2.658 1.00 0.00 O ATOM 814 CB ASP A 56 -12.533 9.217 -3.237 1.00 0.00 C ATOM 815 CG ASP A 56 -13.964 9.330 -3.766 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.878 9.037 -3.013 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.121 9.706 -4.916 1.00 0.00 O ATOM 0 H ASP A 56 -10.556 9.156 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.484 8.464 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.124 10.210 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.894 8.744 -3.983 1.00 0.00 H new ATOM 822 N LYS A 57 -11.069 6.463 -2.045 1.00 0.00 N ATOM 823 CA LYS A 57 -10.756 5.033 -2.315 1.00 0.00 C ATOM 824 C LYS A 57 -11.260 4.642 -3.707 1.00 0.00 C ATOM 825 O LYS A 57 -11.483 3.484 -3.997 1.00 0.00 O ATOM 826 CB LYS A 57 -11.501 4.254 -1.233 1.00 0.00 C ATOM 827 CG LYS A 57 -11.248 4.894 0.133 1.00 0.00 C ATOM 828 CD LYS A 57 -12.536 4.849 0.959 1.00 0.00 C ATOM 829 CE LYS A 57 -12.654 6.124 1.795 1.00 0.00 C ATOM 830 NZ LYS A 57 -13.457 5.730 2.985 1.00 0.00 N ATOM 0 H LYS A 57 -10.287 7.021 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.685 4.829 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.569 4.245 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.169 3.216 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.450 4.364 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.918 5.925 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.399 4.753 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.532 3.974 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.672 6.497 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.144 6.920 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.581 6.553 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.389 5.385 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.963 4.976 3.503 1.00 0.00 H new ATOM 844 N LYS A 58 -11.443 5.605 -4.570 1.00 0.00 N ATOM 845 CA LYS A 58 -11.934 5.293 -5.943 1.00 0.00 C ATOM 846 C LYS A 58 -11.092 6.024 -6.995 1.00 0.00 C ATOM 847 O LYS A 58 -11.041 5.629 -8.142 1.00 0.00 O ATOM 848 CB LYS A 58 -13.378 5.798 -5.969 1.00 0.00 C ATOM 849 CG LYS A 58 -14.173 5.132 -4.845 1.00 0.00 C ATOM 850 CD LYS A 58 -15.340 4.342 -5.440 1.00 0.00 C ATOM 851 CE LYS A 58 -16.555 5.260 -5.589 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.224 5.231 -4.260 1.00 0.00 N ATOM 0 H LYS A 58 -11.274 6.593 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.866 4.229 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.398 6.881 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.835 5.575 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.526 4.468 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.547 5.887 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.059 3.933 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.586 3.497 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.254 6.273 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.223 4.907 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.788 6.096 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.847 4.400 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.505 5.177 -3.511 1.00 0.00 H new ATOM 866 N ASP A 59 -10.431 7.086 -6.617 1.00 0.00 N ATOM 867 CA ASP A 59 -9.598 7.832 -7.604 1.00 0.00 C ATOM 868 C ASP A 59 -8.526 6.912 -8.192 1.00 0.00 C ATOM 869 O ASP A 59 -7.564 6.565 -7.536 1.00 0.00 O ATOM 870 CB ASP A 59 -8.955 8.966 -6.806 1.00 0.00 C ATOM 871 CG ASP A 59 -7.818 9.586 -7.620 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.712 9.264 -8.793 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.072 10.371 -7.058 1.00 0.00 O ATOM 0 H ASP A 59 -10.432 7.468 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.187 8.208 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.701 9.725 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.572 8.586 -5.859 1.00 0.00 H new ATOM 878 N LYS A 60 -8.684 6.515 -9.425 1.00 0.00 N ATOM 879 CA LYS A 60 -7.672 5.617 -10.054 1.00 0.00 C ATOM 880 C LYS A 60 -6.525 6.443 -10.643 1.00 0.00 C ATOM 881 O LYS A 60 -5.752 5.964 -11.449 1.00 0.00 O ATOM 882 CB LYS A 60 -8.428 4.885 -11.163 1.00 0.00 C ATOM 883 CG LYS A 60 -8.611 3.417 -10.773 1.00 0.00 C ATOM 884 CD LYS A 60 -7.277 2.681 -10.910 1.00 0.00 C ATOM 885 CE LYS A 60 -6.968 2.455 -12.391 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.049 1.282 -12.417 1.00 0.00 N ATOM 0 H LYS A 60 -9.468 6.773 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.230 4.926 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.399 5.353 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.878 4.957 -12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.974 3.345 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.362 2.951 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.480 3.262 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.321 1.726 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.877 2.257 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.500 3.333 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.287 1.453 -13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.639 1.142 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.580 0.431 -12.694 1.00 0.00 H new ATOM 900 N SER A 61 -6.408 7.681 -10.246 1.00 0.00 N ATOM 901 CA SER A 61 -5.310 8.535 -10.785 1.00 0.00 C ATOM 902 C SER A 61 -4.070 8.426 -9.893 1.00 0.00 C ATOM 903 O SER A 61 -3.893 7.463 -9.174 1.00 0.00 O ATOM 904 CB SER A 61 -5.866 9.958 -10.760 1.00 0.00 C ATOM 905 OG SER A 61 -5.424 10.654 -11.918 1.00 0.00 O ATOM 0 H SER A 61 -7.024 8.138 -9.573 1.00 0.00 H new ATOM 0 HA SER A 61 -5.007 8.235 -11.788 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.955 9.935 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.532 10.476 -9.861 1.00 0.00 H new ATOM 0 HG SER A 61 -5.780 11.567 -11.907 1.00 0.00 H new ATOM 911 N ALA A 62 -3.209 9.405 -9.939 1.00 0.00 N ATOM 912 CA ALA A 62 -1.979 9.357 -9.097 1.00 0.00 C ATOM 913 C ALA A 62 -2.159 10.221 -7.845 1.00 0.00 C ATOM 914 O ALA A 62 -1.201 10.632 -7.221 1.00 0.00 O ATOM 915 CB ALA A 62 -0.873 9.930 -9.985 1.00 0.00 C ATOM 0 H ALA A 62 -3.303 10.236 -10.523 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.751 8.347 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.070 9.930 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.772 9.318 -10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.127 10.951 -10.270 1.00 0.00 H new ATOM 921 N LYS A 63 -3.379 10.505 -7.476 1.00 0.00 N ATOM 922 CA LYS A 63 -3.611 11.348 -6.268 1.00 0.00 C ATOM 923 C LYS A 63 -4.469 10.600 -5.249 1.00 0.00 C ATOM 924 O LYS A 63 -4.642 11.040 -4.129 1.00 0.00 O ATOM 925 CB LYS A 63 -4.358 12.576 -6.786 1.00 0.00 C ATOM 926 CG LYS A 63 -3.778 13.837 -6.145 1.00 0.00 C ATOM 927 CD LYS A 63 -3.703 14.952 -7.189 1.00 0.00 C ATOM 928 CE LYS A 63 -2.880 16.117 -6.636 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.865 16.982 -5.929 1.00 0.00 N ATOM 0 H LYS A 63 -4.222 10.191 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.679 11.609 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.273 12.635 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.420 12.493 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.400 14.151 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.785 13.631 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.249 14.576 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.706 15.292 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.104 15.765 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.379 16.662 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.376 17.804 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.587 17.308 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.321 16.439 -5.168 1.00 0.00 H new ATOM 943 N GLY A 64 -5.010 9.473 -5.620 1.00 0.00 N ATOM 944 CA GLY A 64 -5.851 8.712 -4.667 1.00 0.00 C ATOM 945 C GLY A 64 -4.961 8.092 -3.601 1.00 0.00 C ATOM 946 O GLY A 64 -3.776 7.902 -3.792 1.00 0.00 O ATOM 0 H GLY A 64 -4.904 9.050 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.587 9.371 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.405 7.934 -5.193 1.00 0.00 H new ATOM 950 N TYR A 65 -5.524 7.778 -2.477 1.00 0.00 N ATOM 951 CA TYR A 65 -4.716 7.170 -1.386 1.00 0.00 C ATOM 952 C TYR A 65 -4.805 5.646 -1.436 1.00 0.00 C ATOM 953 O TYR A 65 -3.856 4.952 -1.138 1.00 0.00 O ATOM 954 CB TYR A 65 -5.343 7.676 -0.092 1.00 0.00 C ATOM 955 CG TYR A 65 -4.546 7.136 1.068 1.00 0.00 C ATOM 956 CD1 TYR A 65 -3.148 7.188 1.040 1.00 0.00 C ATOM 957 CD2 TYR A 65 -5.205 6.571 2.163 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.407 6.675 2.111 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.466 6.055 3.233 1.00 0.00 C ATOM 960 CZ TYR A 65 -3.066 6.108 3.209 1.00 0.00 C ATOM 961 OH TYR A 65 -2.339 5.598 4.264 1.00 0.00 O ATOM 0 H TYR A 65 -6.512 7.915 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.663 7.437 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.347 8.766 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.381 7.352 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.641 7.624 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.284 6.533 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.328 6.716 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.975 5.615 4.078 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.944 6.335 4.776 1.00 0.00 H new ATOM 971 N TYR A 66 -5.939 5.120 -1.797 1.00 0.00 N ATOM 972 CA TYR A 66 -6.092 3.645 -1.849 1.00 0.00 C ATOM 973 C TYR A 66 -5.606 3.115 -3.202 1.00 0.00 C ATOM 974 O TYR A 66 -5.126 2.004 -3.307 1.00 0.00 O ATOM 975 CB TYR A 66 -7.596 3.430 -1.653 1.00 0.00 C ATOM 976 CG TYR A 66 -8.035 2.145 -2.304 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.001 2.024 -3.695 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.482 1.078 -1.515 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.410 0.833 -4.304 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.893 -0.113 -2.122 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.857 -0.236 -3.518 1.00 0.00 C ATOM 982 OH TYR A 66 -9.263 -1.412 -4.117 1.00 0.00 O ATOM 0 H TYR A 66 -6.769 5.651 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.506 3.115 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.830 3.404 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.148 4.268 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.659 2.850 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.509 1.175 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.381 0.738 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.238 -0.937 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.542 -2.051 -3.428 1.00 0.00 H new ATOM 992 N HIS A 67 -5.718 3.902 -4.235 1.00 0.00 N ATOM 993 CA HIS A 67 -5.254 3.443 -5.577 1.00 0.00 C ATOM 994 C HIS A 67 -3.757 3.126 -5.541 1.00 0.00 C ATOM 995 O HIS A 67 -3.351 1.983 -5.613 1.00 0.00 O ATOM 996 CB HIS A 67 -5.525 4.624 -6.511 1.00 0.00 C ATOM 997 CG HIS A 67 -4.732 4.448 -7.775 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.084 3.521 -8.740 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.585 5.050 -8.235 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.166 3.584 -9.719 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.230 4.501 -9.462 1.00 0.00 N ATOM 0 H HIS A 67 -6.110 4.843 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.764 2.536 -5.902 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.589 4.684 -6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.251 5.559 -6.023 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.894 2.902 -8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.043 5.830 -7.722 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.183 2.968 -10.606 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.935 4.132 -5.443 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.463 3.899 -5.417 1.00 0.00 C ATOM 1011 C ALA A 68 -1.095 2.764 -4.453 1.00 0.00 C ATOM 1012 O ALA A 68 -0.036 2.181 -4.552 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.865 5.221 -4.932 1.00 0.00 C ATOM 0 H ALA A 68 -3.219 5.110 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.087 3.603 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.220 5.134 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.135 6.018 -5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.254 5.454 -3.941 1.00 0.00 H new ATOM 1019 N MET A 69 -1.939 2.455 -3.508 1.00 0.00 N ATOM 1020 CA MET A 69 -1.597 1.372 -2.542 1.00 0.00 C ATOM 1021 C MET A 69 -2.105 0.008 -3.008 1.00 0.00 C ATOM 1022 O MET A 69 -1.407 -0.981 -2.910 1.00 0.00 O ATOM 1023 CB MET A 69 -2.281 1.781 -1.244 1.00 0.00 C ATOM 1024 CG MET A 69 -1.700 3.112 -0.772 1.00 0.00 C ATOM 1025 SD MET A 69 -0.624 2.834 0.656 1.00 0.00 S ATOM 1026 CE MET A 69 0.739 3.891 0.109 1.00 0.00 C ATOM 0 H MET A 69 -2.845 2.901 -3.363 1.00 0.00 H new ATOM 0 HA MET A 69 -0.518 1.263 -2.435 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.356 1.873 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.133 1.015 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.136 3.581 -1.579 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.505 3.797 -0.506 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.613 3.711 0.735 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.982 3.663 -0.929 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.444 4.937 0.191 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.310 -0.072 -3.493 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.831 -1.396 -3.932 1.00 0.00 C ATOM 1038 C HIS A 70 -3.630 -1.596 -5.435 1.00 0.00 C ATOM 1039 O HIS A 70 -3.675 -2.702 -5.933 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.320 -1.365 -3.596 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.500 -0.986 -2.155 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.827 0.302 -1.767 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.407 -1.715 -0.997 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.919 0.311 -0.426 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.674 -0.893 0.091 1.00 0.00 N ATOM 0 H HIS A 70 -3.952 0.713 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.310 -2.217 -3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.834 -0.650 -4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.767 -2.341 -3.785 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.972 1.099 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.164 -2.766 -0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.161 1.185 0.160 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.422 -0.537 -6.165 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.234 -0.677 -7.635 1.00 0.00 C ATOM 1055 C ASP A 71 -1.797 -1.090 -7.963 1.00 0.00 C ATOM 1056 O ASP A 71 -0.853 -0.403 -7.631 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.542 0.708 -8.192 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.053 0.936 -8.169 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.632 0.841 -7.099 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.608 1.200 -9.224 1.00 0.00 O ATOM 0 H ASP A 71 -3.374 0.417 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.875 -1.447 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.038 1.471 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.165 0.795 -9.211 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.628 -2.209 -8.616 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.253 -2.667 -8.969 1.00 0.00 C ATOM 1067 C LYS A 72 0.210 -2.011 -10.273 1.00 0.00 C ATOM 1068 O LYS A 72 1.373 -1.700 -10.443 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.361 -4.186 -9.136 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.549 -4.528 -10.039 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.070 -5.387 -11.209 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.105 -5.337 -12.335 1.00 0.00 C ATOM 1073 NZ LYS A 72 -3.188 -6.263 -11.901 1.00 0.00 N ATOM 0 H LYS A 72 -2.382 -2.825 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 72 0.476 -2.397 -8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.560 -4.580 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.485 -4.660 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.310 -5.062 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.012 -3.614 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.107 -5.025 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.922 -6.416 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.484 -4.325 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.672 -5.653 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.411 -6.922 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.873 -6.800 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.037 -5.714 -11.658 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.690 -1.785 -11.189 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.300 -1.137 -12.473 1.00 0.00 C ATOM 1089 C GLY A 73 -0.194 0.370 -12.249 1.00 0.00 C ATOM 1090 O GLY A 73 -0.888 1.153 -12.867 1.00 0.00 O ATOM 0 H GLY A 73 -1.679 -2.021 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.653 -1.535 -12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.039 -1.353 -13.245 1.00 0.00 H new ATOM 1094 N THR A 74 0.658 0.778 -11.352 1.00 0.00 N ATOM 1095 CA THR A 74 0.802 2.231 -11.059 1.00 0.00 C ATOM 1096 C THR A 74 2.143 2.767 -11.566 1.00 0.00 C ATOM 1097 O THR A 74 3.063 2.020 -11.832 1.00 0.00 O ATOM 1098 CB THR A 74 0.753 2.314 -9.535 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.557 1.280 -8.984 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.689 2.148 -9.054 1.00 0.00 C ATOM 0 H THR A 74 1.264 0.165 -10.806 1.00 0.00 H new ATOM 0 HA THR A 74 0.027 2.823 -11.546 1.00 0.00 H new ATOM 0 HB THR A 74 1.129 3.285 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.417 1.652 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.719 2.208 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.307 2.939 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.070 1.178 -9.375 1.00 0.00 H new ATOM 1108 N LYS A 75 2.258 4.064 -11.685 1.00 0.00 N ATOM 1109 CA LYS A 75 3.538 4.666 -12.154 1.00 0.00 C ATOM 1110 C LYS A 75 4.721 3.911 -11.543 1.00 0.00 C ATOM 1111 O LYS A 75 5.678 3.580 -12.215 1.00 0.00 O ATOM 1112 CB LYS A 75 3.502 6.104 -11.628 1.00 0.00 C ATOM 1113 CG LYS A 75 4.552 6.948 -12.352 1.00 0.00 C ATOM 1114 CD LYS A 75 4.487 6.681 -13.857 1.00 0.00 C ATOM 1115 CE LYS A 75 5.395 7.672 -14.588 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.172 7.403 -16.035 1.00 0.00 N ATOM 0 H LYS A 75 1.517 4.733 -11.476 1.00 0.00 H new ATOM 0 HA LYS A 75 3.650 4.623 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.511 6.532 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.692 6.113 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.381 8.006 -12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.546 6.710 -11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.800 5.659 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.461 6.781 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.141 8.701 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.440 7.525 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.762 8.045 -16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.428 6.418 -16.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.170 7.558 -16.266 1.00 0.00 H new ATOM 1130 N PHE A 76 4.655 3.638 -10.270 1.00 0.00 N ATOM 1131 CA PHE A 76 5.768 2.903 -9.598 1.00 0.00 C ATOM 1132 C PHE A 76 5.233 1.674 -8.877 1.00 0.00 C ATOM 1133 O PHE A 76 4.045 1.423 -8.863 1.00 0.00 O ATOM 1134 CB PHE A 76 6.328 3.886 -8.580 1.00 0.00 C ATOM 1135 CG PHE A 76 6.718 5.157 -9.285 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.887 5.209 -10.049 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.892 6.282 -9.185 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.232 6.391 -10.712 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.237 7.461 -9.845 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.405 7.516 -10.609 1.00 0.00 C ATOM 0 H PHE A 76 3.876 3.892 -9.662 1.00 0.00 H new ATOM 0 HA PHE A 76 6.519 2.563 -10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.584 4.096 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.193 3.454 -8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.522 4.339 -10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.987 6.237 -8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.135 6.436 -11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.602 8.331 -9.765 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.671 8.429 -11.122 1.00 0.00 H new ATOM 1150 N LYS A 77 6.089 0.910 -8.251 1.00 0.00 N ATOM 1151 CA LYS A 77 5.583 -0.273 -7.521 1.00 0.00 C ATOM 1152 C LYS A 77 4.847 0.201 -6.274 1.00 0.00 C ATOM 1153 O LYS A 77 5.417 0.781 -5.370 1.00 0.00 O ATOM 1154 CB LYS A 77 6.797 -1.116 -7.159 1.00 0.00 C ATOM 1155 CG LYS A 77 7.771 -0.306 -6.305 1.00 0.00 C ATOM 1156 CD LYS A 77 9.074 -1.094 -6.150 1.00 0.00 C ATOM 1157 CE LYS A 77 9.607 -1.480 -7.532 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.987 -2.803 -7.829 1.00 0.00 N ATOM 0 H LYS A 77 7.098 1.055 -8.217 1.00 0.00 H new ATOM 0 HA LYS A 77 4.887 -0.863 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.481 -2.007 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.295 -1.456 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.968 0.659 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.335 -0.104 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.813 -0.494 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.901 -1.989 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.333 -0.738 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.695 -1.545 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.725 -3.536 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.290 -3.033 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.512 -2.764 -8.754 1.00 0.00 H new ATOM 1172 N SER A 78 3.577 -0.022 -6.253 1.00 0.00 N ATOM 1173 CA SER A 78 2.736 0.423 -5.106 1.00 0.00 C ATOM 1174 C SER A 78 2.864 -0.533 -3.919 1.00 0.00 C ATOM 1175 O SER A 78 3.565 -1.523 -3.975 1.00 0.00 O ATOM 1176 CB SER A 78 1.310 0.392 -5.649 1.00 0.00 C ATOM 1177 OG SER A 78 1.195 -0.658 -6.600 1.00 0.00 O ATOM 0 H SER A 78 3.067 -0.503 -6.993 1.00 0.00 H new ATOM 0 HA SER A 78 3.034 1.406 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.601 0.241 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.064 1.347 -6.113 1.00 0.00 H new ATOM 0 HG SER A 78 0.443 -0.474 -7.201 1.00 0.00 H new ATOM 1183 N CYS A 79 2.176 -0.242 -2.849 1.00 0.00 N ATOM 1184 CA CYS A 79 2.236 -1.129 -1.657 1.00 0.00 C ATOM 1185 C CYS A 79 1.753 -2.528 -2.041 1.00 0.00 C ATOM 1186 O CYS A 79 2.515 -3.473 -2.074 1.00 0.00 O ATOM 1187 CB CYS A 79 1.293 -0.480 -0.643 1.00 0.00 C ATOM 1188 SG CYS A 79 1.897 1.182 -0.237 1.00 0.00 S ATOM 0 H CYS A 79 1.573 0.575 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 79 3.243 -1.239 -1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.285 -0.423 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.236 -1.089 0.259 1.00 0.00 H new ATOM 0 HG CYS A 79 1.083 1.746 0.605 1.00 0.00 H new ATOM 1193 N VAL A 80 0.495 -2.661 -2.358 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.032 -3.994 -2.771 1.00 0.00 C ATOM 1195 C VAL A 80 0.584 -4.384 -4.116 1.00 0.00 C ATOM 1196 O VAL A 80 0.759 -5.549 -4.418 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.541 -3.802 -2.907 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.137 -4.968 -3.698 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.184 -3.749 -1.514 1.00 0.00 C ATOM 0 H VAL A 80 -0.191 -1.906 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 80 0.207 -4.783 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.738 -2.867 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.214 -4.830 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.686 -5.003 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.937 -5.903 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.261 -3.612 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.985 -4.681 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.764 -2.916 -0.951 1.00 0.00 H new ATOM 1209 N GLY A 81 0.925 -3.413 -4.922 1.00 0.00 N ATOM 1210 CA GLY A 81 1.540 -3.715 -6.245 1.00 0.00 C ATOM 1211 C GLY A 81 2.925 -4.321 -6.024 1.00 0.00 C ATOM 1212 O GLY A 81 3.313 -5.270 -6.679 1.00 0.00 O ATOM 0 H GLY A 81 0.803 -2.421 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.911 -4.408 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.618 -2.805 -6.840 1.00 0.00 H new ATOM 1216 N CYS A 82 3.668 -3.793 -5.089 1.00 0.00 N ATOM 1217 CA CYS A 82 5.020 -4.353 -4.807 1.00 0.00 C ATOM 1218 C CYS A 82 4.859 -5.596 -3.944 1.00 0.00 C ATOM 1219 O CYS A 82 5.707 -6.464 -3.902 1.00 0.00 O ATOM 1220 CB CYS A 82 5.760 -3.261 -4.033 1.00 0.00 C ATOM 1221 SG CYS A 82 7.545 -3.526 -4.170 1.00 0.00 S ATOM 0 H CYS A 82 3.397 -2.999 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 82 5.561 -4.632 -5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.496 -2.279 -4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.459 -3.276 -2.985 1.00 0.00 H new ATOM 0 HG CYS A 82 8.173 -2.596 -3.514 1.00 0.00 H new ATOM 1226 N HIS A 83 3.757 -5.675 -3.254 1.00 0.00 N ATOM 1227 CA HIS A 83 3.498 -6.845 -2.382 1.00 0.00 C ATOM 1228 C HIS A 83 3.133 -8.062 -3.239 1.00 0.00 C ATOM 1229 O HIS A 83 3.761 -9.098 -3.153 1.00 0.00 O ATOM 1230 CB HIS A 83 2.336 -6.395 -1.497 1.00 0.00 C ATOM 1231 CG HIS A 83 2.894 -5.703 -0.286 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.194 -5.608 0.906 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.094 -5.073 -0.069 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.973 -4.947 1.780 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.140 -4.599 1.237 1.00 0.00 N ATOM 0 H HIS A 83 3.020 -4.970 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 83 4.360 -7.148 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.680 -5.722 -2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.734 -7.253 -1.198 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.259 -5.973 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.881 -4.963 -0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.688 -4.725 2.798 1.00 0.00 H new ATOM 1243 N LEU A 84 2.141 -7.944 -4.081 1.00 0.00 N ATOM 1244 CA LEU A 84 1.770 -9.087 -4.950 1.00 0.00 C ATOM 1245 C LEU A 84 2.998 -9.550 -5.736 1.00 0.00 C ATOM 1246 O LEU A 84 3.144 -10.714 -6.057 1.00 0.00 O ATOM 1247 CB LEU A 84 0.709 -8.517 -5.885 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.534 -9.399 -5.836 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.753 -8.589 -6.278 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.350 -10.598 -6.769 1.00 0.00 C ATOM 0 H LEU A 84 1.575 -7.104 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 84 1.404 -9.951 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.458 -7.498 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.094 -8.468 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.685 -9.755 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.641 -9.220 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.886 -7.738 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.602 -8.231 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.239 -11.227 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.197 -10.245 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.517 -11.177 -6.451 1.00 0.00 H new ATOM 1262 N GLU A 85 3.889 -8.644 -6.040 1.00 0.00 N ATOM 1263 CA GLU A 85 5.116 -9.023 -6.795 1.00 0.00 C ATOM 1264 C GLU A 85 6.185 -9.528 -5.823 1.00 0.00 C ATOM 1265 O GLU A 85 6.767 -10.578 -6.014 1.00 0.00 O ATOM 1266 CB GLU A 85 5.577 -7.735 -7.479 1.00 0.00 C ATOM 1267 CG GLU A 85 4.440 -7.175 -8.335 1.00 0.00 C ATOM 1268 CD GLU A 85 4.512 -7.779 -9.739 1.00 0.00 C ATOM 1269 OE1 GLU A 85 5.556 -8.311 -10.079 1.00 0.00 O ATOM 1270 OE2 GLU A 85 3.522 -7.699 -10.447 1.00 0.00 O ATOM 0 H GLU A 85 3.819 -7.656 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 85 4.933 -9.819 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.878 -7.002 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.450 -7.933 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.478 -7.406 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.514 -6.089 -8.391 1.00 0.00 H new ATOM 1277 N THR A 86 6.442 -8.791 -4.774 1.00 0.00 N ATOM 1278 CA THR A 86 7.465 -9.237 -3.787 1.00 0.00 C ATOM 1279 C THR A 86 7.098 -10.626 -3.259 1.00 0.00 C ATOM 1280 O THR A 86 7.918 -11.327 -2.699 1.00 0.00 O ATOM 1281 CB THR A 86 7.417 -8.196 -2.662 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.204 -7.072 -3.028 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.964 -8.805 -1.369 1.00 0.00 C ATOM 0 H THR A 86 5.989 -7.903 -4.560 1.00 0.00 H new ATOM 0 HA THR A 86 8.462 -9.311 -4.220 1.00 0.00 H new ATOM 0 HB THR A 86 6.385 -7.884 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.637 -6.405 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.928 -8.061 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.359 -9.667 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.996 -9.121 -1.524 1.00 0.00 H new ATOM 1291 N ALA A 87 5.870 -11.028 -3.442 1.00 0.00 N ATOM 1292 CA ALA A 87 5.444 -12.371 -2.958 1.00 0.00 C ATOM 1293 C ALA A 87 5.665 -13.414 -4.057 1.00 0.00 C ATOM 1294 O ALA A 87 6.012 -14.547 -3.793 1.00 0.00 O ATOM 1295 CB ALA A 87 3.955 -12.226 -2.643 1.00 0.00 C ATOM 0 H ALA A 87 5.143 -10.484 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 87 6.010 -12.699 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.566 -13.177 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.818 -11.461 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.419 -11.936 -3.546 1.00 0.00 H new ATOM 1340 N ALA A 92 1.915 -17.547 0.828 1.00 0.00 N ATOM 1341 CA ALA A 92 2.105 -16.992 2.198 1.00 0.00 C ATOM 1342 C ALA A 92 2.495 -15.526 2.070 1.00 0.00 C ATOM 1343 O ALA A 92 2.031 -14.674 2.801 1.00 0.00 O ATOM 1344 CB ALA A 92 3.242 -17.809 2.812 1.00 0.00 C ATOM 0 HA ALA A 92 1.209 -17.050 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.438 -17.456 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.958 -18.861 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.141 -17.694 2.207 1.00 0.00 H new ATOM 1350 N LYS A 93 3.333 -15.232 1.121 1.00 0.00 N ATOM 1351 CA LYS A 93 3.750 -13.828 0.899 1.00 0.00 C ATOM 1352 C LYS A 93 2.590 -13.057 0.271 1.00 0.00 C ATOM 1353 O LYS A 93 2.471 -11.857 0.417 1.00 0.00 O ATOM 1354 CB LYS A 93 4.917 -13.931 -0.075 1.00 0.00 C ATOM 1355 CG LYS A 93 6.227 -13.999 0.707 1.00 0.00 C ATOM 1356 CD LYS A 93 7.053 -12.739 0.435 1.00 0.00 C ATOM 1357 CE LYS A 93 8.479 -13.136 0.051 1.00 0.00 C ATOM 1358 NZ LYS A 93 8.395 -13.530 -1.383 1.00 0.00 N ATOM 0 H LYS A 93 3.750 -15.912 0.485 1.00 0.00 H new ATOM 0 HA LYS A 93 4.030 -13.308 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.807 -14.818 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.924 -13.070 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.021 -14.088 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.791 -14.885 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.597 -12.159 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.067 -12.103 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.172 -12.306 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.839 -13.960 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.312 -13.912 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.660 -14.256 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.155 -12.698 -1.958 1.00 0.00 H new ATOM 1372 N LYS A 94 1.723 -13.746 -0.420 1.00 0.00 N ATOM 1373 CA LYS A 94 0.562 -13.057 -1.048 1.00 0.00 C ATOM 1374 C LYS A 94 -0.480 -12.731 0.024 1.00 0.00 C ATOM 1375 O LYS A 94 -1.267 -11.816 -0.114 1.00 0.00 O ATOM 1376 CB LYS A 94 0.003 -14.053 -2.064 1.00 0.00 C ATOM 1377 CG LYS A 94 0.129 -13.467 -3.471 1.00 0.00 C ATOM 1378 CD LYS A 94 0.628 -14.547 -4.433 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.372 -14.709 -5.580 1.00 0.00 C ATOM 1380 NZ LYS A 94 0.121 -15.883 -6.353 1.00 0.00 N ATOM 0 H LYS A 94 1.769 -14.753 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 94 0.840 -12.117 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.545 -14.997 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.042 -14.270 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.836 -13.086 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.820 -12.624 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.608 -14.275 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.748 -15.493 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.381 -14.879 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.410 -13.814 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.513 -16.059 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.081 -15.690 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.140 -16.721 -5.737 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.481 -13.472 1.097 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.458 -13.208 2.189 1.00 0.00 C ATOM 1396 C LYS A 95 -0.863 -12.203 3.179 1.00 0.00 C ATOM 1397 O LYS A 95 -1.563 -11.580 3.949 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.681 -14.568 2.856 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.588 -14.823 3.898 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.148 -14.566 5.298 1.00 0.00 C ATOM 1401 CE LYS A 95 -2.002 -15.759 5.734 1.00 0.00 C ATOM 1402 NZ LYS A 95 -1.217 -16.419 6.812 1.00 0.00 N ATOM 0 H LYS A 95 0.155 -14.252 1.265 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.394 -12.782 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.662 -14.593 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.670 -15.357 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.230 -15.849 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.266 -14.172 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.333 -14.412 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.748 -13.656 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.977 -15.435 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.182 -16.441 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.738 -17.248 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.297 -16.723 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.067 -15.748 7.593 1.00 0.00 H new ATOM 1416 N GLU A 96 0.433 -12.047 3.154 1.00 0.00 N ATOM 1417 CA GLU A 96 1.095 -11.085 4.080 1.00 0.00 C ATOM 1418 C GLU A 96 1.300 -9.750 3.371 1.00 0.00 C ATOM 1419 O GLU A 96 1.048 -8.691 3.912 1.00 0.00 O ATOM 1420 CB GLU A 96 2.438 -11.734 4.409 1.00 0.00 C ATOM 1421 CG GLU A 96 3.340 -11.720 3.185 1.00 0.00 C ATOM 1422 CD GLU A 96 4.716 -12.273 3.566 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.761 -13.211 4.345 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.700 -11.748 3.074 1.00 0.00 O ATOM 0 H GLU A 96 1.065 -12.547 2.529 1.00 0.00 H new ATOM 0 HA GLU A 96 0.509 -10.884 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.917 -11.200 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.283 -12.760 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.901 -12.321 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.437 -10.704 2.802 1.00 0.00 H new ATOM 1431 N LEU A 97 1.757 -9.805 2.158 1.00 0.00 N ATOM 1432 CA LEU A 97 1.992 -8.558 1.378 1.00 0.00 C ATOM 1433 C LEU A 97 0.678 -8.018 0.817 1.00 0.00 C ATOM 1434 O LEU A 97 0.239 -6.943 1.173 1.00 0.00 O ATOM 1435 CB LEU A 97 2.927 -8.986 0.253 1.00 0.00 C ATOM 1436 CG LEU A 97 4.170 -9.643 0.853 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.278 -9.666 -0.192 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.639 -8.843 2.073 1.00 0.00 C ATOM 0 H LEU A 97 1.982 -10.669 1.664 1.00 0.00 H new ATOM 0 HA LEU A 97 2.415 -7.759 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.418 -9.683 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.212 -8.122 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 97 3.931 -10.661 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.167 -10.134 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.947 -10.235 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.514 -8.646 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.525 -9.314 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.880 -7.824 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.846 -8.821 2.820 1.00 0.00 H new ATOM 1450 N THR A 98 0.049 -8.741 -0.058 1.00 0.00 N ATOM 1451 CA THR A 98 -1.232 -8.248 -0.641 1.00 0.00 C ATOM 1452 C THR A 98 -2.421 -8.666 0.222 1.00 0.00 C ATOM 1453 O THR A 98 -3.546 -8.281 -0.030 1.00 0.00 O ATOM 1454 CB THR A 98 -1.319 -8.901 -2.016 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.220 -10.311 -1.876 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.177 -8.389 -2.891 1.00 0.00 C ATOM 0 H THR A 98 0.361 -9.651 -0.397 1.00 0.00 H new ATOM 0 HA THR A 98 -1.257 -7.160 -0.698 1.00 0.00 H new ATOM 0 HB THR A 98 -2.272 -8.651 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.321 -10.554 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.236 -8.854 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.256 -7.307 -2.996 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.777 -8.640 -2.428 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.191 -9.448 1.235 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.320 -9.878 2.101 1.00 0.00 C ATOM 1466 C GLY A 99 -4.042 -8.644 2.645 1.00 0.00 C ATOM 1467 O GLY A 99 -3.454 -7.799 3.293 1.00 0.00 O ATOM 0 H GLY A 99 -1.274 -9.807 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.014 -10.497 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.949 -10.488 2.924 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.309 -8.526 2.383 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.061 -7.341 2.890 1.00 0.00 C ATOM 1473 C CYS A 100 -6.468 -7.537 4.346 1.00 0.00 C ATOM 1474 O CYS A 100 -6.105 -6.775 5.208 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.325 -7.223 2.045 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.135 -8.080 0.454 1.00 0.00 S ATOM 0 H CYS A 100 -5.859 -9.194 1.842 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.437 -6.450 2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.170 -7.645 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.551 -6.171 1.870 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.230 -7.960 -0.237 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.255 -8.530 4.618 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.713 -8.741 6.022 1.00 0.00 C ATOM 1483 C LYS A 101 -6.933 -9.868 6.706 1.00 0.00 C ATOM 1484 O LYS A 101 -7.369 -10.416 7.700 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.187 -9.118 5.898 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.056 -7.915 6.271 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.878 -7.483 5.054 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.653 -8.685 4.509 1.00 0.00 C ATOM 1489 NZ LYS A 101 -11.111 -8.900 3.138 1.00 0.00 N ATOM 0 H LYS A 101 -7.603 -9.205 3.937 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.555 -7.851 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.407 -9.437 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.414 -9.960 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.718 -8.173 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.429 -7.091 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.569 -6.687 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.222 -7.080 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.507 -9.566 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.724 -8.486 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.155 -9.912 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.676 -8.359 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.122 -8.579 3.101 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.790 -10.222 6.195 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.004 -11.315 6.838 1.00 0.00 C ATOM 1505 C GLY A 102 -3.529 -11.198 6.451 1.00 0.00 C ATOM 1506 O GLY A 102 -2.855 -12.186 6.245 1.00 0.00 O ATOM 0 H GLY A 102 -5.366 -9.807 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.109 -11.261 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.394 -12.285 6.528 1.00 0.00 H new ATOM 1510 N SER A 103 -3.022 -10.001 6.338 1.00 0.00 N ATOM 1511 CA SER A 103 -1.598 -9.833 5.952 1.00 0.00 C ATOM 1512 C SER A 103 -0.825 -9.042 7.006 1.00 0.00 C ATOM 1513 O SER A 103 -1.125 -9.080 8.183 1.00 0.00 O ATOM 1514 CB SER A 103 -1.660 -9.053 4.649 1.00 0.00 C ATOM 1515 OG SER A 103 -1.449 -7.672 4.912 1.00 0.00 O ATOM 0 H SER A 103 -3.535 -9.134 6.497 1.00 0.00 H new ATOM 0 HA SER A 103 -1.084 -10.789 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.904 -9.422 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.629 -9.199 4.171 1.00 0.00 H new ATOM 0 HG SER A 103 -2.117 -7.141 4.430 1.00 0.00 H new ATOM 1521 N LYS A 104 0.172 -8.320 6.576 1.00 0.00 N ATOM 1522 CA LYS A 104 0.987 -7.506 7.515 1.00 0.00 C ATOM 1523 C LYS A 104 0.551 -6.058 7.414 1.00 0.00 C ATOM 1524 O LYS A 104 0.719 -5.265 8.320 1.00 0.00 O ATOM 1525 CB LYS A 104 2.408 -7.643 6.988 1.00 0.00 C ATOM 1526 CG LYS A 104 2.872 -9.095 7.119 1.00 0.00 C ATOM 1527 CD LYS A 104 3.788 -9.232 8.337 1.00 0.00 C ATOM 1528 CE LYS A 104 3.841 -10.696 8.775 1.00 0.00 C ATOM 1529 NZ LYS A 104 2.619 -10.893 9.604 1.00 0.00 N ATOM 0 H LYS A 104 0.459 -8.260 5.599 1.00 0.00 H new ATOM 0 HA LYS A 104 0.890 -7.822 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.450 -7.331 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.077 -6.986 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.011 -9.755 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.401 -9.401 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.790 -8.878 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.420 -8.610 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.847 -11.366 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.745 -10.905 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.886 -10.949 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.971 -10.092 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.146 -11.775 9.322 1.00 0.00 H new ATOM 1543 N CYS A 105 0.012 -5.717 6.287 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.430 -4.327 6.048 1.00 0.00 C ATOM 1545 C CYS A 105 -1.783 -4.068 6.719 1.00 0.00 C ATOM 1546 O CYS A 105 -2.118 -2.946 7.046 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.549 -4.252 4.530 1.00 0.00 C ATOM 1548 SG CYS A 105 0.193 -2.710 3.937 1.00 0.00 S ATOM 0 H CYS A 105 -0.144 -6.355 5.507 1.00 0.00 H new ATOM 0 HA CYS A 105 0.253 -3.582 6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.050 -5.107 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.597 -4.300 4.235 1.00 0.00 H new ATOM 0 HG CYS A 105 0.092 -2.650 2.642 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.561 -5.092 6.930 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.889 -4.897 7.584 1.00 0.00 C ATOM 1555 C HIS A 106 -3.991 -5.760 8.843 1.00 0.00 C ATOM 1556 O HIS A 106 -4.891 -6.564 8.985 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.913 -5.347 6.541 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.301 -4.177 5.676 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.633 -4.078 4.339 1.00 0.00 N flip ATOM 1560 CD2 HIS A 106 -5.325 -2.882 6.169 1.00 0.00 C flip ATOM 1561 CE1 HIS A 106 -5.836 -2.734 4.014 1.00 0.00 C flip ATOM 1562 NE2 HIS A 106 -5.647 -2.064 5.154 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.337 -6.055 6.679 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.049 -3.864 7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.495 -6.144 5.926 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.795 -5.755 7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.121 -2.584 7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -6.091 -2.325 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.737 -1.052 5.243 1.00 0.00 H new ATOM 1570 N SER A 107 -3.075 -5.601 9.760 1.00 0.00 N ATOM 1571 CA SER A 107 -3.121 -6.413 11.010 1.00 0.00 C ATOM 1572 C SER A 107 -4.512 -6.328 11.645 1.00 0.00 C ATOM 1573 O SER A 107 -4.979 -5.221 11.856 1.00 0.00 O ATOM 1574 CB SER A 107 -2.075 -5.785 11.929 1.00 0.00 C ATOM 1575 OG SER A 107 -1.758 -6.696 12.973 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.087 -7.372 11.908 1.00 0.00 O ATOM 0 H SER A 107 -2.297 -4.944 9.698 1.00 0.00 H new ATOM 0 HA SER A 107 -2.920 -7.468 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.178 -5.538 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.455 -4.853 12.347 1.00 0.00 H new ATOM 0 HG SER A 107 -1.086 -6.296 13.563 1.00 0.00 H new