USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 932 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -10.9! C(o=-11!,f=-17!) USER MOD Set 2.1: A 7 GLN : amide:sc= 0.989 K(o=2.1,f=0.19) USER MOD Set 2.2: A 81 SER OG : rot 102:sc= 1.09 USER MOD Set 3.1: A 12 HIS :FLIP no HE2:sc= 0.504 F(o=-3.2,f=1.7) USER MOD Set 3.2: A 72 SER OG : rot 105:sc= 1.2 USER MOD Single : A 1 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.19) USER MOD Single : A 1 HIS N :NH3+ 179:sc= 1.73 (180deg=1.72) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.735 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= 0.675 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0161) USER MOD Single : A 17 HIS : no HD1:sc= -8.04! C(o=-8!,f=-9!) USER MOD Single : A 18 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc=-0.00784 (180deg=-0.723) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.907! USER MOD Single : A 37 THR OG1 : rot 172:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 45 GLN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -61:sc= 0.447 USER MOD Single : A 55 SER OG : rot 143:sc= -3.91! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.8!) USER MOD Single : A 65 THR OG1 : rot -74:sc= -1.3 USER MOD Single : A 68 SER OG : rot -89:sc= -3.85! USER MOD Single : A 70 CYS SG : rot 39:sc= -0.2 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.116 F(o=-1.8,f=-0.12) USER MOD Single : A 87 MET CE :methyl 168:sc= -10.7! (180deg=-11.7!) USER MOD Single : A 88 GLN : amide:sc= -0.305 K(o=-0.31,f=-3.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 113:sc= -0.919! USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -58:sc= -2.44! USER MOD Single : A 111 SER OG : rot -120:sc= -2.64! USER MOD Single : A 117 LYS NZ :NH3+ 151:sc= -0.0505 (180deg=-1.2) USER MOD Single : A 119 THR OG1 : rot 162:sc= -2.3! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 25.135 8.403 2.477 1.00 0.00 N ATOM 2 CA HIS A 1 25.167 9.137 1.180 1.00 0.00 C ATOM 3 C HIS A 1 26.229 8.531 0.260 1.00 0.00 C ATOM 4 O HIS A 1 25.949 8.141 -0.856 1.00 0.00 O ATOM 5 CB HIS A 1 25.531 10.576 1.548 1.00 0.00 C ATOM 6 CG HIS A 1 24.396 11.488 1.175 1.00 0.00 C ATOM 7 ND1 HIS A 1 24.592 12.825 0.867 1.00 0.00 N ATOM 8 CD2 HIS A 1 23.046 11.270 1.057 1.00 0.00 C ATOM 9 CE1 HIS A 1 23.389 13.356 0.581 1.00 0.00 C ATOM 10 NE2 HIS A 1 22.412 12.450 0.682 1.00 0.00 N ATOM 0 H1 HIS A 1 24.423 8.832 3.101 1.00 0.00 H new ATOM 0 H2 HIS A 1 24.890 7.407 2.306 1.00 0.00 H new ATOM 0 H3 HIS A 1 26.070 8.457 2.930 1.00 0.00 H new ATOM 0 HA HIS A 1 24.217 9.082 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 1 25.735 10.649 2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 1 26.440 10.877 1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 1 22.551 10.326 1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 1 23.232 14.388 0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 1 21.415 12.593 0.519 1.00 0.00 H new ATOM 18 N MET A 2 27.446 8.445 0.722 1.00 0.00 N ATOM 19 CA MET A 2 28.524 7.860 -0.125 1.00 0.00 C ATOM 20 C MET A 2 28.778 6.407 0.284 1.00 0.00 C ATOM 21 O MET A 2 29.079 5.562 -0.536 1.00 0.00 O ATOM 22 CB MET A 2 29.759 8.717 0.153 1.00 0.00 C ATOM 23 CG MET A 2 29.482 10.165 -0.254 1.00 0.00 C ATOM 24 SD MET A 2 30.762 10.723 -1.406 1.00 0.00 S ATOM 25 CE MET A 2 31.658 11.792 -0.252 1.00 0.00 C ATOM 0 H MET A 2 27.741 8.754 1.648 1.00 0.00 H new ATOM 0 HA MET A 2 28.263 7.856 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 2 30.016 8.669 1.211 1.00 0.00 H new ATOM 0 HB3 MET A 2 30.614 8.330 -0.401 1.00 0.00 H new ATOM 0 HG2 MET A 2 28.500 10.241 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 2 29.467 10.805 0.628 1.00 0.00 H new ATOM 0 HE1 MET A 2 32.506 12.249 -0.763 1.00 0.00 H new ATOM 0 HE2 MET A 2 30.991 12.573 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 2 32.018 11.199 0.589 1.00 0.00 H new ATOM 35 N ALA A 3 28.660 6.111 1.550 1.00 0.00 N ATOM 36 CA ALA A 3 28.895 4.716 2.017 1.00 0.00 C ATOM 37 C ALA A 3 27.652 3.856 1.770 1.00 0.00 C ATOM 38 O ALA A 3 27.744 2.663 1.561 1.00 0.00 O ATOM 39 CB ALA A 3 29.170 4.843 3.516 1.00 0.00 C ATOM 0 H ALA A 3 28.411 6.777 2.282 1.00 0.00 H new ATOM 0 HA ALA A 3 29.720 4.238 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 3 29.354 3.855 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 3 30.045 5.473 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 3 28.307 5.292 4.007 1.00 0.00 H new ATOM 45 N SER A 4 26.491 4.450 1.792 1.00 0.00 N ATOM 46 CA SER A 4 25.247 3.662 1.557 1.00 0.00 C ATOM 47 C SER A 4 24.065 4.601 1.302 1.00 0.00 C ATOM 48 O SER A 4 24.205 5.808 1.315 1.00 0.00 O ATOM 49 CB SER A 4 25.030 2.866 2.843 1.00 0.00 C ATOM 50 OG SER A 4 23.643 2.845 3.154 1.00 0.00 O ATOM 0 H SER A 4 26.349 5.446 1.962 1.00 0.00 H new ATOM 0 HA SER A 4 25.331 3.012 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 4 25.403 1.849 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.591 3.316 3.662 1.00 0.00 H new ATOM 0 HG SER A 4 23.500 2.334 3.978 1.00 0.00 H new ATOM 56 N ARG A 5 22.902 4.057 1.069 1.00 0.00 N ATOM 57 CA ARG A 5 21.714 4.921 0.812 1.00 0.00 C ATOM 58 C ARG A 5 21.432 5.810 2.026 1.00 0.00 C ATOM 59 O ARG A 5 22.228 5.908 2.939 1.00 0.00 O ATOM 60 CB ARG A 5 20.555 3.947 0.588 1.00 0.00 C ATOM 61 CG ARG A 5 20.411 3.648 -0.906 1.00 0.00 C ATOM 62 CD ARG A 5 20.006 2.184 -1.095 1.00 0.00 C ATOM 63 NE ARG A 5 21.240 1.407 -0.793 1.00 0.00 N ATOM 64 CZ ARG A 5 21.301 0.135 -1.079 1.00 0.00 C ATOM 65 NH1 ARG A 5 20.630 -0.729 -0.368 1.00 0.00 N ATOM 66 NH2 ARG A 5 22.039 -0.275 -2.075 1.00 0.00 N ATOM 0 H ARG A 5 22.723 3.053 1.045 1.00 0.00 H new ATOM 0 HA ARG A 5 21.865 5.583 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 5 20.733 3.023 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 5 19.629 4.374 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 5 19.662 4.304 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 5 21.352 3.846 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 5 19.191 1.909 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 5 19.660 1.997 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 5 22.040 1.870 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 5 20.056 -0.411 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.679 -1.723 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.568 0.399 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 5 22.087 -1.269 -2.299 1.00 0.00 H new ATOM 80 N ASP A 6 20.300 6.454 2.044 1.00 0.00 N ATOM 81 CA ASP A 6 19.954 7.332 3.196 1.00 0.00 C ATOM 82 C ASP A 6 18.446 7.292 3.434 1.00 0.00 C ATOM 83 O ASP A 6 17.976 6.801 4.442 1.00 0.00 O ATOM 84 CB ASP A 6 20.400 8.733 2.775 1.00 0.00 C ATOM 85 CG ASP A 6 21.515 9.214 3.705 1.00 0.00 C ATOM 86 OD1 ASP A 6 21.197 9.820 4.715 1.00 0.00 O ATOM 87 OD2 ASP A 6 22.668 8.969 3.391 1.00 0.00 O ATOM 0 H ASP A 6 19.596 6.410 1.307 1.00 0.00 H new ATOM 0 HA ASP A 6 20.435 7.020 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.753 8.719 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.556 9.422 2.814 1.00 0.00 H new ATOM 92 N GLN A 7 17.687 7.792 2.505 1.00 0.00 N ATOM 93 CA GLN A 7 16.206 7.775 2.658 1.00 0.00 C ATOM 94 C GLN A 7 15.655 6.439 2.156 1.00 0.00 C ATOM 95 O GLN A 7 16.373 5.632 1.600 1.00 0.00 O ATOM 96 CB GLN A 7 15.704 8.930 1.788 1.00 0.00 C ATOM 97 CG GLN A 7 14.599 9.688 2.525 1.00 0.00 C ATOM 98 CD GLN A 7 14.670 11.173 2.163 1.00 0.00 C ATOM 99 OE1 GLN A 7 14.659 11.527 1.001 1.00 0.00 O ATOM 100 NE2 GLN A 7 14.745 12.062 3.116 1.00 0.00 N ATOM 0 H GLN A 7 18.028 8.214 1.641 1.00 0.00 H new ATOM 0 HA GLN A 7 15.888 7.886 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.527 9.605 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.326 8.546 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.624 9.283 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.711 9.559 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.754 11.764 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.794 13.054 2.885 1.00 0.00 H new ATOM 109 N VAL A 8 14.389 6.196 2.346 1.00 0.00 N ATOM 110 CA VAL A 8 13.805 4.909 1.873 1.00 0.00 C ATOM 111 C VAL A 8 12.809 5.167 0.742 1.00 0.00 C ATOM 112 O VAL A 8 11.643 5.411 0.977 1.00 0.00 O ATOM 113 CB VAL A 8 13.092 4.307 3.090 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.339 5.401 3.846 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.094 3.242 2.629 1.00 0.00 C ATOM 0 H VAL A 8 13.735 6.829 2.806 1.00 0.00 H new ATOM 0 HA VAL A 8 14.568 4.235 1.482 1.00 0.00 H new ATOM 0 HB VAL A 8 13.836 3.856 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.835 4.966 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.043 6.162 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.601 5.857 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.589 2.817 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.357 3.696 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.624 2.454 2.095 1.00 0.00 H new ATOM 125 N LYS A 9 13.251 5.108 -0.484 1.00 0.00 N ATOM 126 CA LYS A 9 12.303 5.341 -1.607 1.00 0.00 C ATOM 127 C LYS A 9 11.368 4.137 -1.742 1.00 0.00 C ATOM 128 O LYS A 9 11.653 3.068 -1.239 1.00 0.00 O ATOM 129 CB LYS A 9 13.159 5.487 -2.863 1.00 0.00 C ATOM 130 CG LYS A 9 13.948 6.807 -2.816 1.00 0.00 C ATOM 131 CD LYS A 9 13.816 7.613 -4.134 1.00 0.00 C ATOM 132 CE LYS A 9 13.393 6.724 -5.310 1.00 0.00 C ATOM 133 NZ LYS A 9 13.882 7.430 -6.527 1.00 0.00 N ATOM 0 H LYS A 9 14.215 4.911 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 9 11.690 6.227 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.847 4.646 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.525 5.465 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.590 7.413 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.000 6.593 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.084 8.410 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.769 8.090 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.831 5.729 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.311 6.595 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.629 6.880 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.443 8.371 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.916 7.532 -6.477 1.00 0.00 H new ATOM 147 N ALA A 10 10.255 4.288 -2.413 1.00 0.00 N ATOM 148 CA ALA A 10 9.327 3.119 -2.558 1.00 0.00 C ATOM 149 C ALA A 10 7.980 3.531 -3.160 1.00 0.00 C ATOM 150 O ALA A 10 7.677 4.698 -3.310 1.00 0.00 O ATOM 151 CB ALA A 10 9.112 2.607 -1.130 1.00 0.00 C ATOM 0 H ALA A 10 9.950 5.152 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 10 9.748 2.368 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.441 1.748 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.070 2.311 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.672 3.398 -0.522 1.00 0.00 H new ATOM 157 N SER A 11 7.159 2.561 -3.479 1.00 0.00 N ATOM 158 CA SER A 11 5.809 2.859 -4.039 1.00 0.00 C ATOM 159 C SER A 11 4.756 2.197 -3.150 1.00 0.00 C ATOM 160 O SER A 11 5.085 1.651 -2.115 1.00 0.00 O ATOM 161 CB SER A 11 5.801 2.248 -5.442 1.00 0.00 C ATOM 162 OG SER A 11 5.383 0.891 -5.362 1.00 0.00 O ATOM 0 H SER A 11 7.370 1.569 -3.374 1.00 0.00 H new ATOM 0 HA SER A 11 5.591 3.926 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.130 2.809 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.796 2.309 -5.883 1.00 0.00 H new ATOM 0 HG SER A 11 6.169 0.311 -5.284 1.00 0.00 H new ATOM 168 N HIS A 12 3.496 2.224 -3.511 1.00 0.00 N ATOM 169 CA HIS A 12 2.501 1.565 -2.604 1.00 0.00 C ATOM 170 C HIS A 12 1.083 1.540 -3.184 1.00 0.00 C ATOM 171 O HIS A 12 0.771 2.199 -4.155 1.00 0.00 O ATOM 172 CB HIS A 12 2.525 2.404 -1.326 1.00 0.00 C ATOM 173 CG HIS A 12 2.014 3.786 -1.624 1.00 0.00 C ATOM 174 ND1 HIS A 12 2.617 4.885 -2.185 1.00 0.00 N flip ATOM 175 CD2 HIS A 12 0.715 4.173 -1.337 1.00 0.00 C flip ATOM 176 CE1 HIS A 12 1.708 5.937 -2.246 1.00 0.00 C flip ATOM 177 NE2 HIS A 12 0.579 5.455 -1.723 1.00 0.00 N flip ATOM 0 H HIS A 12 3.123 2.654 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 12 2.766 0.520 -2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.909 1.935 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.540 2.457 -0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.584 4.924 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.049 3.558 -0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.880 6.930 -2.634 1.00 0.00 H new ATOM 185 N ILE A 13 0.224 0.774 -2.557 1.00 0.00 N ATOM 186 CA ILE A 13 -1.196 0.668 -3.006 1.00 0.00 C ATOM 187 C ILE A 13 -2.087 0.388 -1.779 1.00 0.00 C ATOM 188 O ILE A 13 -1.594 0.172 -0.689 1.00 0.00 O ATOM 189 CB ILE A 13 -1.202 -0.501 -4.008 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.039 0.059 -5.426 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.519 -1.283 -3.919 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.443 -0.999 -6.460 1.00 0.00 C ATOM 0 H ILE A 13 0.453 0.209 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.581 1.575 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.380 -1.176 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.655 0.950 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.005 0.362 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.503 -2.105 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.638 -1.682 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.353 -0.619 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.324 -0.591 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.809 -1.878 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.484 -1.281 -6.304 1.00 0.00 H new ATOM 204 N LEU A 14 -3.387 0.396 -1.936 1.00 0.00 N ATOM 205 CA LEU A 14 -4.276 0.135 -0.758 1.00 0.00 C ATOM 206 C LEU A 14 -5.528 -0.641 -1.176 1.00 0.00 C ATOM 207 O LEU A 14 -6.158 -0.334 -2.167 1.00 0.00 O ATOM 208 CB LEU A 14 -4.673 1.520 -0.237 1.00 0.00 C ATOM 209 CG LEU A 14 -5.776 1.379 0.822 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.186 1.616 2.211 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.880 2.409 0.555 1.00 0.00 C ATOM 0 H LEU A 14 -3.869 0.570 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.768 -0.465 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.805 2.020 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.024 2.142 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.196 0.375 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.970 1.516 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.403 0.882 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.763 2.619 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.662 2.308 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.459 3.414 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.304 2.239 -0.435 1.00 0.00 H new ATOM 223 N ILE A 15 -5.903 -1.632 -0.411 1.00 0.00 N ATOM 224 CA ILE A 15 -7.126 -2.417 -0.748 1.00 0.00 C ATOM 225 C ILE A 15 -8.318 -1.893 0.069 1.00 0.00 C ATOM 226 O ILE A 15 -8.684 -0.739 -0.033 1.00 0.00 O ATOM 227 CB ILE A 15 -6.790 -3.860 -0.367 1.00 0.00 C ATOM 228 CG1 ILE A 15 -5.423 -4.233 -0.937 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.852 -4.803 -0.938 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.102 -5.684 -0.574 1.00 0.00 C ATOM 0 H ILE A 15 -5.415 -1.932 0.433 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.402 -2.337 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.770 -3.951 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.422 -4.108 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.656 -3.568 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.611 -5.830 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.829 -4.540 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.874 -4.711 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.127 -5.953 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.087 -5.793 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.864 -6.341 -0.994 1.00 0.00 H new ATOM 242 N LYS A 16 -8.926 -2.722 0.881 1.00 0.00 N ATOM 243 CA LYS A 16 -10.084 -2.251 1.697 1.00 0.00 C ATOM 244 C LYS A 16 -10.375 -3.249 2.821 1.00 0.00 C ATOM 245 O LYS A 16 -10.124 -4.429 2.693 1.00 0.00 O ATOM 246 CB LYS A 16 -11.261 -2.187 0.722 1.00 0.00 C ATOM 247 CG LYS A 16 -11.549 -0.728 0.368 1.00 0.00 C ATOM 248 CD LYS A 16 -11.148 -0.467 -1.084 1.00 0.00 C ATOM 249 CE LYS A 16 -10.776 1.007 -1.253 1.00 0.00 C ATOM 250 NZ LYS A 16 -11.344 1.398 -2.572 1.00 0.00 N ATOM 0 H LYS A 16 -8.671 -3.701 1.013 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.892 -1.286 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.031 -2.753 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.143 -2.645 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.608 -0.511 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.996 -0.065 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.304 -1.100 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.970 -0.724 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.192 1.614 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.695 1.146 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.058 2.372 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.990 0.753 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.382 1.342 -2.533 1.00 0.00 H new ATOM 264 N HIS A 17 -10.904 -2.785 3.921 1.00 0.00 N ATOM 265 CA HIS A 17 -11.212 -3.712 5.050 1.00 0.00 C ATOM 266 C HIS A 17 -11.901 -2.951 6.187 1.00 0.00 C ATOM 267 O HIS A 17 -12.638 -2.012 5.960 1.00 0.00 O ATOM 268 CB HIS A 17 -9.854 -4.255 5.503 1.00 0.00 C ATOM 269 CG HIS A 17 -9.119 -3.205 6.291 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.440 -1.859 6.209 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.081 -3.289 7.186 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.611 -1.193 7.033 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.762 -2.018 7.654 1.00 0.00 N ATOM 0 H HIS A 17 -11.136 -1.806 4.087 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.888 -4.514 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.995 -5.148 6.113 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.263 -4.551 4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.587 -4.203 7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.629 -0.123 7.175 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.036 -1.769 8.326 1.00 0.00 H new ATOM 281 N GLN A 18 -11.668 -3.347 7.407 1.00 0.00 N ATOM 282 CA GLN A 18 -12.311 -2.644 8.553 1.00 0.00 C ATOM 283 C GLN A 18 -11.326 -1.664 9.194 1.00 0.00 C ATOM 284 O GLN A 18 -11.443 -0.464 9.048 1.00 0.00 O ATOM 285 CB GLN A 18 -12.685 -3.751 9.537 1.00 0.00 C ATOM 286 CG GLN A 18 -13.819 -4.595 8.950 1.00 0.00 C ATOM 287 CD GLN A 18 -15.149 -3.859 9.125 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.660 -3.756 10.223 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.735 -3.339 8.082 1.00 0.00 N ATOM 0 H GLN A 18 -11.061 -4.126 7.661 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.180 -2.062 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.818 -4.379 9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.995 -3.317 10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.634 -4.787 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.860 -5.564 9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.306 -3.425 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.622 -2.846 8.188 1.00 0.00 H new ATOM 298 N GLY A 19 -10.356 -2.168 9.902 1.00 0.00 N ATOM 299 CA GLY A 19 -9.361 -1.269 10.553 1.00 0.00 C ATOM 300 C GLY A 19 -10.088 -0.116 11.246 1.00 0.00 C ATOM 301 O GLY A 19 -10.691 -0.286 12.287 1.00 0.00 O ATOM 0 H GLY A 19 -10.208 -3.165 10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.770 -1.828 11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.666 -0.879 9.809 1.00 0.00 H new ATOM 305 N SER A 20 -10.036 1.059 10.678 1.00 0.00 N ATOM 306 CA SER A 20 -10.724 2.223 11.306 1.00 0.00 C ATOM 307 C SER A 20 -11.794 2.781 10.362 1.00 0.00 C ATOM 308 O SER A 20 -12.711 3.458 10.779 1.00 0.00 O ATOM 309 CB SER A 20 -9.624 3.258 11.537 1.00 0.00 C ATOM 310 OG SER A 20 -9.989 4.098 12.624 1.00 0.00 O ATOM 0 H SER A 20 -9.547 1.263 9.806 1.00 0.00 H new ATOM 0 HA SER A 20 -11.229 1.950 12.233 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.678 2.759 11.750 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.475 3.854 10.637 1.00 0.00 H new ATOM 0 HG SER A 20 -9.284 4.762 12.775 1.00 0.00 H new ATOM 316 N ARG A 21 -11.683 2.502 9.090 1.00 0.00 N ATOM 317 CA ARG A 21 -12.694 3.019 8.122 1.00 0.00 C ATOM 318 C ARG A 21 -13.408 1.857 7.426 1.00 0.00 C ATOM 319 O ARG A 21 -13.276 0.714 7.815 1.00 0.00 O ATOM 320 CB ARG A 21 -11.891 3.838 7.111 1.00 0.00 C ATOM 321 CG ARG A 21 -11.391 5.122 7.775 1.00 0.00 C ATOM 322 CD ARG A 21 -11.734 6.322 6.889 1.00 0.00 C ATOM 323 NE ARG A 21 -10.483 7.128 6.834 1.00 0.00 N ATOM 324 CZ ARG A 21 -10.505 8.336 6.339 1.00 0.00 C ATOM 325 NH1 ARG A 21 -11.099 8.563 5.199 1.00 0.00 N ATOM 326 NH2 ARG A 21 -9.931 9.316 6.982 1.00 0.00 N ATOM 0 H ARG A 21 -10.937 1.939 8.680 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.465 3.615 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.047 3.254 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.512 4.080 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.850 5.239 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.314 5.068 7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.042 6.003 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.558 6.900 7.308 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.608 6.736 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.546 7.797 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.116 9.507 4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.465 9.138 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.948 10.259 6.595 1.00 0.00 H new ATOM 340 N ARG A 22 -14.167 2.141 6.401 1.00 0.00 N ATOM 341 CA ARG A 22 -14.892 1.050 5.687 1.00 0.00 C ATOM 342 C ARG A 22 -14.632 1.117 4.177 1.00 0.00 C ATOM 343 O ARG A 22 -14.780 0.138 3.473 1.00 0.00 O ATOM 344 CB ARG A 22 -16.373 1.293 5.991 1.00 0.00 C ATOM 345 CG ARG A 22 -16.839 2.586 5.316 1.00 0.00 C ATOM 346 CD ARG A 22 -16.686 3.756 6.290 1.00 0.00 C ATOM 347 NE ARG A 22 -18.078 4.116 6.676 1.00 0.00 N ATOM 348 CZ ARG A 22 -18.447 4.045 7.925 1.00 0.00 C ATOM 349 NH1 ARG A 22 -17.803 4.721 8.835 1.00 0.00 N ATOM 350 NH2 ARG A 22 -19.459 3.294 8.263 1.00 0.00 N ATOM 0 H ARG A 22 -14.316 3.079 6.028 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.563 0.063 6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.969 0.452 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.526 1.359 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.253 2.770 4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.880 2.492 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.096 3.471 7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.176 4.597 5.820 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.743 4.418 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.010 5.306 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.092 4.665 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.961 2.763 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.749 3.238 9.239 1.00 0.00 H new ATOM 364 N LYS A 23 -14.253 2.259 3.671 1.00 0.00 N ATOM 365 CA LYS A 23 -13.995 2.369 2.205 1.00 0.00 C ATOM 366 C LYS A 23 -13.214 3.649 1.891 1.00 0.00 C ATOM 367 O LYS A 23 -13.046 4.509 2.733 1.00 0.00 O ATOM 368 CB LYS A 23 -15.382 2.420 1.563 1.00 0.00 C ATOM 369 CG LYS A 23 -15.559 1.224 0.626 1.00 0.00 C ATOM 370 CD LYS A 23 -16.421 1.637 -0.569 1.00 0.00 C ATOM 371 CE LYS A 23 -16.948 0.387 -1.276 1.00 0.00 C ATOM 372 NZ LYS A 23 -15.730 -0.375 -1.670 1.00 0.00 N ATOM 0 H LYS A 23 -14.111 3.117 4.205 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.398 1.537 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.152 2.407 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.503 3.350 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.587 0.870 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.029 0.397 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.253 2.256 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.835 2.240 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.585 -0.201 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.548 0.650 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.949 -0.981 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.972 0.290 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.418 -0.966 -0.873 1.00 0.00 H new ATOM 386 N ALA A 24 -12.739 3.781 0.682 1.00 0.00 N ATOM 387 CA ALA A 24 -11.972 5.005 0.307 1.00 0.00 C ATOM 388 C ALA A 24 -12.920 6.064 -0.263 1.00 0.00 C ATOM 389 O ALA A 24 -12.827 6.439 -1.415 1.00 0.00 O ATOM 390 CB ALA A 24 -10.984 4.540 -0.763 1.00 0.00 C ATOM 0 H ALA A 24 -12.849 3.094 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.466 5.455 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.380 5.385 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.334 3.770 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.533 4.133 -1.613 1.00 0.00 H new ATOM 396 N SER A 25 -13.832 6.547 0.535 1.00 0.00 N ATOM 397 CA SER A 25 -14.788 7.579 0.041 1.00 0.00 C ATOM 398 C SER A 25 -14.033 8.735 -0.617 1.00 0.00 C ATOM 399 O SER A 25 -12.958 9.109 -0.191 1.00 0.00 O ATOM 400 CB SER A 25 -15.520 8.068 1.288 1.00 0.00 C ATOM 401 OG SER A 25 -14.574 8.582 2.216 1.00 0.00 O ATOM 0 H SER A 25 -13.957 6.271 1.509 1.00 0.00 H new ATOM 0 HA SER A 25 -15.471 7.179 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.241 8.840 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.081 7.250 1.739 1.00 0.00 H new ATOM 0 HG SER A 25 -15.041 8.899 3.017 1.00 0.00 H new ATOM 407 N TRP A 26 -14.590 9.310 -1.648 1.00 0.00 N ATOM 408 CA TRP A 26 -13.907 10.447 -2.325 1.00 0.00 C ATOM 409 C TRP A 26 -14.599 11.763 -1.961 1.00 0.00 C ATOM 410 O TRP A 26 -14.656 12.684 -2.749 1.00 0.00 O ATOM 411 CB TRP A 26 -14.038 10.161 -3.821 1.00 0.00 C ATOM 412 CG TRP A 26 -12.676 10.103 -4.434 1.00 0.00 C ATOM 413 CD1 TRP A 26 -12.218 9.102 -5.219 1.00 0.00 C ATOM 414 CD2 TRP A 26 -11.589 11.066 -4.324 1.00 0.00 C ATOM 415 NE1 TRP A 26 -10.919 9.389 -5.598 1.00 0.00 N ATOM 416 CE2 TRP A 26 -10.487 10.590 -5.072 1.00 0.00 C ATOM 417 CE3 TRP A 26 -11.455 12.296 -3.653 1.00 0.00 C ATOM 418 CZ2 TRP A 26 -9.293 11.309 -5.152 1.00 0.00 C ATOM 419 CZ3 TRP A 26 -10.255 13.022 -3.732 1.00 0.00 C ATOM 420 CH2 TRP A 26 -9.176 12.528 -4.479 1.00 0.00 C ATOM 0 H TRP A 26 -15.488 9.041 -2.050 1.00 0.00 H new ATOM 0 HA TRP A 26 -12.863 10.542 -2.025 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -14.561 9.217 -3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -14.633 10.938 -4.301 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -12.775 8.222 -5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -10.350 8.787 -6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.280 12.684 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.465 10.926 -5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -10.163 13.966 -3.215 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -8.255 13.089 -4.534 1.00 0.00 H new ATOM 431 N LYS A 27 -15.119 11.853 -0.765 1.00 0.00 N ATOM 432 CA LYS A 27 -15.805 13.104 -0.330 1.00 0.00 C ATOM 433 C LYS A 27 -17.050 13.365 -1.185 1.00 0.00 C ATOM 434 O LYS A 27 -18.164 13.337 -0.699 1.00 0.00 O ATOM 435 CB LYS A 27 -14.777 14.223 -0.527 1.00 0.00 C ATOM 436 CG LYS A 27 -13.440 13.819 0.101 1.00 0.00 C ATOM 437 CD LYS A 27 -12.297 14.496 -0.657 1.00 0.00 C ATOM 438 CE LYS A 27 -11.544 15.433 0.287 1.00 0.00 C ATOM 439 NZ LYS A 27 -10.246 15.705 -0.392 1.00 0.00 N ATOM 0 H LYS A 27 -15.097 11.109 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 27 -16.142 13.039 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.644 14.423 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.139 15.145 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.417 14.109 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.322 12.736 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.618 13.744 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.690 15.056 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.101 16.354 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.390 14.970 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.673 16.343 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.734 14.811 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.424 16.152 -1.314 1.00 0.00 H new ATOM 453 N ASP A 28 -16.874 13.632 -2.449 1.00 0.00 N ATOM 454 CA ASP A 28 -18.052 13.908 -3.321 1.00 0.00 C ATOM 455 C ASP A 28 -19.105 12.798 -3.180 1.00 0.00 C ATOM 456 O ASP A 28 -20.191 13.044 -2.694 1.00 0.00 O ATOM 457 CB ASP A 28 -17.493 13.961 -4.744 1.00 0.00 C ATOM 458 CG ASP A 28 -17.314 15.419 -5.172 1.00 0.00 C ATOM 459 OD1 ASP A 28 -18.296 16.143 -5.165 1.00 0.00 O ATOM 460 OD2 ASP A 28 -16.198 15.787 -5.502 1.00 0.00 O ATOM 0 H ASP A 28 -15.968 13.671 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.553 14.838 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.538 13.438 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.169 13.451 -5.430 1.00 0.00 H new ATOM 465 N PRO A 29 -18.757 11.610 -3.609 1.00 0.00 N ATOM 466 CA PRO A 29 -19.704 10.468 -3.523 1.00 0.00 C ATOM 467 C PRO A 29 -19.839 9.981 -2.076 1.00 0.00 C ATOM 468 O PRO A 29 -20.787 9.307 -1.726 1.00 0.00 O ATOM 469 CB PRO A 29 -19.053 9.396 -4.391 1.00 0.00 C ATOM 470 CG PRO A 29 -17.595 9.725 -4.385 1.00 0.00 C ATOM 471 CD PRO A 29 -17.475 11.217 -4.210 1.00 0.00 C ATOM 0 HA PRO A 29 -20.711 10.728 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -19.234 8.399 -3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -19.456 9.410 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -17.086 9.201 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -17.125 9.408 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.636 11.477 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.311 11.719 -5.164 1.00 0.00 H new ATOM 479 N GLU A 30 -18.896 10.311 -1.235 1.00 0.00 N ATOM 480 CA GLU A 30 -18.965 9.864 0.191 1.00 0.00 C ATOM 481 C GLU A 30 -18.693 8.360 0.288 1.00 0.00 C ATOM 482 O GLU A 30 -18.742 7.779 1.354 1.00 0.00 O ATOM 483 CB GLU A 30 -20.390 10.181 0.653 1.00 0.00 C ATOM 484 CG GLU A 30 -20.413 10.326 2.177 1.00 0.00 C ATOM 485 CD GLU A 30 -21.861 10.433 2.660 1.00 0.00 C ATOM 486 OE1 GLU A 30 -22.591 9.469 2.497 1.00 0.00 O ATOM 487 OE2 GLU A 30 -22.215 11.475 3.185 1.00 0.00 O ATOM 0 H GLU A 30 -18.078 10.872 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.221 10.365 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -20.739 11.101 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -21.069 9.387 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.926 9.468 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.853 11.211 2.477 1.00 0.00 H new ATOM 494 N GLY A 31 -18.405 7.726 -0.815 1.00 0.00 N ATOM 495 CA GLY A 31 -18.129 6.261 -0.784 1.00 0.00 C ATOM 496 C GLY A 31 -19.329 5.522 -0.189 1.00 0.00 C ATOM 497 O GLY A 31 -19.234 4.371 0.190 1.00 0.00 O ATOM 0 H GLY A 31 -18.349 8.159 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.929 5.898 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.237 6.062 -0.191 1.00 0.00 H new ATOM 501 N LYS A 32 -20.460 6.170 -0.102 1.00 0.00 N ATOM 502 CA LYS A 32 -21.661 5.498 0.472 1.00 0.00 C ATOM 503 C LYS A 32 -21.275 4.705 1.723 1.00 0.00 C ATOM 504 O LYS A 32 -20.241 4.932 2.317 1.00 0.00 O ATOM 505 CB LYS A 32 -22.152 4.557 -0.627 1.00 0.00 C ATOM 506 CG LYS A 32 -23.674 4.652 -0.735 1.00 0.00 C ATOM 507 CD LYS A 32 -24.044 5.534 -1.929 1.00 0.00 C ATOM 508 CE LYS A 32 -24.824 4.709 -2.955 1.00 0.00 C ATOM 509 NZ LYS A 32 -24.584 5.390 -4.258 1.00 0.00 N ATOM 0 H LYS A 32 -20.604 7.134 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.429 6.211 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.692 4.821 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.856 3.532 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.104 3.658 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.089 5.069 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.644 6.381 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.142 5.942 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.475 3.677 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.887 4.681 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.087 4.882 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.932 6.369 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.565 5.395 -4.464 1.00 0.00 H new ATOM 523 N ILE A 33 -22.097 3.774 2.124 1.00 0.00 N ATOM 524 CA ILE A 33 -21.773 2.966 3.336 1.00 0.00 C ATOM 525 C ILE A 33 -22.093 1.490 3.087 1.00 0.00 C ATOM 526 O ILE A 33 -23.237 1.107 2.943 1.00 0.00 O ATOM 527 CB ILE A 33 -22.649 3.522 4.469 1.00 0.00 C ATOM 528 CG1 ILE A 33 -23.987 4.038 3.908 1.00 0.00 C ATOM 529 CG2 ILE A 33 -21.907 4.657 5.179 1.00 0.00 C ATOM 530 CD1 ILE A 33 -23.808 5.438 3.309 1.00 0.00 C ATOM 0 H ILE A 33 -22.977 3.538 1.666 1.00 0.00 H new ATOM 0 HA ILE A 33 -20.715 3.031 3.588 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.857 2.724 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -24.358 3.353 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -24.735 4.067 4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -22.529 5.051 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.974 4.277 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -21.689 5.452 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -24.762 5.790 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -23.459 6.123 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.076 5.398 2.502 1.00 0.00 H new ATOM 542 N ILE A 34 -21.089 0.658 3.035 1.00 0.00 N ATOM 543 CA ILE A 34 -21.331 -0.793 2.795 1.00 0.00 C ATOM 544 C ILE A 34 -20.042 -1.585 3.030 1.00 0.00 C ATOM 545 O ILE A 34 -19.130 -1.554 2.228 1.00 0.00 O ATOM 546 CB ILE A 34 -21.758 -0.885 1.330 1.00 0.00 C ATOM 547 CG1 ILE A 34 -22.119 -2.333 0.995 1.00 0.00 C ATOM 548 CG2 ILE A 34 -20.607 -0.428 0.434 1.00 0.00 C ATOM 549 CD1 ILE A 34 -23.525 -2.641 1.511 1.00 0.00 C ATOM 0 H ILE A 34 -20.110 0.921 3.149 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.086 -1.205 3.465 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.625 -0.245 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.073 -2.490 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.397 -3.013 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -20.911 -0.493 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.348 0.603 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.740 -1.068 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -23.782 -3.673 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -23.555 -2.500 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -24.241 -1.970 1.038 1.00 0.00 H new ATOM 561 N LEU A 35 -19.956 -2.289 4.125 1.00 0.00 N ATOM 562 CA LEU A 35 -18.721 -3.077 4.410 1.00 0.00 C ATOM 563 C LEU A 35 -18.340 -3.938 3.202 1.00 0.00 C ATOM 564 O LEU A 35 -18.976 -3.891 2.168 1.00 0.00 O ATOM 565 CB LEU A 35 -19.060 -3.949 5.631 1.00 0.00 C ATOM 566 CG LEU A 35 -19.962 -5.132 5.242 1.00 0.00 C ATOM 567 CD1 LEU A 35 -21.072 -4.669 4.295 1.00 0.00 C ATOM 568 CD2 LEU A 35 -19.129 -6.223 4.562 1.00 0.00 C ATOM 0 H LEU A 35 -20.686 -2.353 4.835 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.865 -2.433 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -18.140 -4.323 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.559 -3.342 6.386 1.00 0.00 H new ATOM 0 HG LEU A 35 -20.415 -5.534 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.701 -5.518 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.678 -3.909 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.628 -4.250 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.775 -7.057 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.662 -5.818 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -18.356 -6.571 5.248 1.00 0.00 H new ATOM 580 N THR A 36 -17.306 -4.724 3.328 1.00 0.00 N ATOM 581 CA THR A 36 -16.881 -5.592 2.191 1.00 0.00 C ATOM 582 C THR A 36 -15.757 -6.529 2.639 1.00 0.00 C ATOM 583 O THR A 36 -15.832 -7.731 2.475 1.00 0.00 O ATOM 584 CB THR A 36 -16.381 -4.629 1.112 1.00 0.00 C ATOM 585 OG1 THR A 36 -16.399 -3.298 1.613 1.00 0.00 O ATOM 586 CG2 THR A 36 -17.286 -4.726 -0.116 1.00 0.00 C ATOM 0 H THR A 36 -16.736 -4.803 4.170 1.00 0.00 H new ATOM 0 HA THR A 36 -17.694 -6.219 1.825 1.00 0.00 H new ATOM 0 HB THR A 36 -15.361 -4.895 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.077 -2.684 0.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.930 -4.040 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.268 -5.745 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.306 -4.462 0.162 1.00 0.00 H new ATOM 594 N THR A 37 -14.721 -5.984 3.208 1.00 0.00 N ATOM 595 CA THR A 37 -13.587 -6.832 3.679 1.00 0.00 C ATOM 596 C THR A 37 -13.443 -6.710 5.200 1.00 0.00 C ATOM 597 O THR A 37 -14.059 -5.869 5.823 1.00 0.00 O ATOM 598 CB THR A 37 -12.351 -6.273 2.968 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.329 -6.743 1.627 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.083 -6.734 3.693 1.00 0.00 C ATOM 0 H THR A 37 -14.608 -4.983 3.369 1.00 0.00 H new ATOM 0 HA THR A 37 -13.734 -7.889 3.457 1.00 0.00 H new ATOM 0 HB THR A 37 -12.391 -5.184 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.611 -6.293 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.207 -6.334 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.101 -6.374 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.038 -7.823 3.691 1.00 0.00 H new ATOM 608 N THR A 38 -12.638 -7.543 5.803 1.00 0.00 N ATOM 609 CA THR A 38 -12.464 -7.468 7.283 1.00 0.00 C ATOM 610 C THR A 38 -11.001 -7.711 7.661 1.00 0.00 C ATOM 611 O THR A 38 -10.185 -8.053 6.830 1.00 0.00 O ATOM 612 CB THR A 38 -13.355 -8.577 7.846 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.875 -9.839 7.404 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.792 -8.377 7.361 1.00 0.00 C ATOM 0 H THR A 38 -12.095 -8.270 5.337 1.00 0.00 H new ATOM 0 HA THR A 38 -12.733 -6.489 7.678 1.00 0.00 H new ATOM 0 HB THR A 38 -13.334 -8.541 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.444 -10.550 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.425 -9.168 7.763 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.160 -7.409 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.816 -8.411 6.272 1.00 0.00 H new ATOM 622 N ARG A 39 -10.663 -7.536 8.912 1.00 0.00 N ATOM 623 CA ARG A 39 -9.251 -7.754 9.344 1.00 0.00 C ATOM 624 C ARG A 39 -8.678 -9.004 8.673 1.00 0.00 C ATOM 625 O ARG A 39 -7.669 -8.952 7.999 1.00 0.00 O ATOM 626 CB ARG A 39 -9.320 -7.942 10.861 1.00 0.00 C ATOM 627 CG ARG A 39 -7.940 -7.682 11.472 1.00 0.00 C ATOM 628 CD ARG A 39 -8.074 -7.510 12.988 1.00 0.00 C ATOM 629 NE ARG A 39 -7.960 -8.888 13.543 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.784 -9.397 13.796 1.00 0.00 C ATOM 631 NH1 ARG A 39 -6.091 -8.968 14.815 1.00 0.00 N ATOM 632 NH2 ARG A 39 -6.302 -10.336 13.030 1.00 0.00 N ATOM 0 H ARG A 39 -11.304 -7.252 9.653 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.604 -6.921 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.054 -7.259 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.650 -8.954 11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.270 -8.512 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.499 -6.788 11.032 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.293 -6.860 13.382 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.030 -7.056 13.251 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.802 -9.435 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.468 -8.234 15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.173 -9.366 15.011 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.843 -10.673 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.384 -10.734 13.227 1.00 0.00 H new ATOM 646 N GLU A 40 -9.318 -10.124 8.851 1.00 0.00 N ATOM 647 CA GLU A 40 -8.817 -11.379 8.222 1.00 0.00 C ATOM 648 C GLU A 40 -8.896 -11.266 6.700 1.00 0.00 C ATOM 649 O GLU A 40 -7.912 -11.408 6.002 1.00 0.00 O ATOM 650 CB GLU A 40 -9.760 -12.470 8.723 1.00 0.00 C ATOM 651 CG GLU A 40 -9.206 -13.842 8.336 1.00 0.00 C ATOM 652 CD GLU A 40 -7.776 -13.979 8.859 1.00 0.00 C ATOM 653 OE1 GLU A 40 -7.621 -14.333 10.016 1.00 0.00 O ATOM 654 OE2 GLU A 40 -6.860 -13.725 8.094 1.00 0.00 O ATOM 0 H GLU A 40 -10.168 -10.226 9.406 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.778 -11.587 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.869 -12.402 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.752 -12.333 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.834 -14.630 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.221 -13.960 7.253 1.00 0.00 H new ATOM 661 N ALA A 41 -10.064 -11.009 6.183 1.00 0.00 N ATOM 662 CA ALA A 41 -10.216 -10.884 4.707 1.00 0.00 C ATOM 663 C ALA A 41 -9.224 -9.857 4.162 1.00 0.00 C ATOM 664 O ALA A 41 -8.756 -9.962 3.046 1.00 0.00 O ATOM 665 CB ALA A 41 -11.654 -10.408 4.500 1.00 0.00 C ATOM 0 H ALA A 41 -10.922 -10.880 6.720 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.019 -11.821 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.848 -10.290 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.344 -11.142 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.796 -9.451 5.003 1.00 0.00 H new ATOM 671 N ALA A 42 -8.894 -8.868 4.945 1.00 0.00 N ATOM 672 CA ALA A 42 -7.926 -7.841 4.472 1.00 0.00 C ATOM 673 C ALA A 42 -6.590 -8.502 4.141 1.00 0.00 C ATOM 674 O ALA A 42 -6.198 -8.593 2.994 1.00 0.00 O ATOM 675 CB ALA A 42 -7.771 -6.867 5.638 1.00 0.00 C ATOM 0 H ALA A 42 -9.252 -8.727 5.890 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.267 -7.334 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.070 -6.079 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.739 -6.425 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.393 -7.401 6.510 1.00 0.00 H new ATOM 681 N VAL A 43 -5.889 -8.971 5.134 1.00 0.00 N ATOM 682 CA VAL A 43 -4.581 -9.631 4.862 1.00 0.00 C ATOM 683 C VAL A 43 -4.767 -10.713 3.797 1.00 0.00 C ATOM 684 O VAL A 43 -3.882 -10.979 3.009 1.00 0.00 O ATOM 685 CB VAL A 43 -4.145 -10.252 6.191 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.006 -11.244 5.939 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.660 -9.150 7.137 1.00 0.00 C ATOM 0 H VAL A 43 -6.162 -8.927 6.116 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.834 -8.930 4.491 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.990 -10.772 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.694 -11.688 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.350 -12.029 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.162 -10.722 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.350 -9.593 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.815 -8.629 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.469 -8.442 7.316 1.00 0.00 H new ATOM 697 N GLU A 44 -5.919 -11.331 3.760 1.00 0.00 N ATOM 698 CA GLU A 44 -6.161 -12.385 2.735 1.00 0.00 C ATOM 699 C GLU A 44 -6.241 -11.740 1.354 1.00 0.00 C ATOM 700 O GLU A 44 -5.626 -12.190 0.407 1.00 0.00 O ATOM 701 CB GLU A 44 -7.500 -13.017 3.112 1.00 0.00 C ATOM 702 CG GLU A 44 -7.461 -14.516 2.803 1.00 0.00 C ATOM 703 CD GLU A 44 -6.556 -15.224 3.814 1.00 0.00 C ATOM 704 OE1 GLU A 44 -5.581 -14.621 4.231 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.854 -16.358 4.152 1.00 0.00 O ATOM 0 H GLU A 44 -6.698 -11.151 4.393 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.365 -13.129 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.704 -12.858 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.308 -12.541 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.467 -14.933 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.091 -14.680 1.791 1.00 0.00 H new ATOM 712 N GLN A 45 -6.985 -10.676 1.239 1.00 0.00 N ATOM 713 CA GLN A 45 -7.098 -9.982 -0.073 1.00 0.00 C ATOM 714 C GLN A 45 -5.730 -9.430 -0.468 1.00 0.00 C ATOM 715 O GLN A 45 -5.348 -9.441 -1.621 1.00 0.00 O ATOM 716 CB GLN A 45 -8.092 -8.843 0.164 1.00 0.00 C ATOM 717 CG GLN A 45 -8.985 -8.678 -1.067 1.00 0.00 C ATOM 718 CD GLN A 45 -8.119 -8.376 -2.290 1.00 0.00 C ATOM 719 OE1 GLN A 45 -7.022 -7.869 -2.162 1.00 0.00 O ATOM 720 NE2 GLN A 45 -8.569 -8.665 -3.480 1.00 0.00 N ATOM 0 H GLN A 45 -7.521 -10.256 1.999 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.430 -10.641 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.702 -9.055 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.556 -7.915 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.564 -9.586 -1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.699 -7.870 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.490 -9.091 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.000 -8.465 -4.303 1.00 0.00 H new ATOM 729 N LEU A 46 -4.987 -8.959 0.493 1.00 0.00 N ATOM 730 CA LEU A 46 -3.634 -8.416 0.195 1.00 0.00 C ATOM 731 C LEU A 46 -2.679 -9.566 -0.133 1.00 0.00 C ATOM 732 O LEU A 46 -1.751 -9.416 -0.904 1.00 0.00 O ATOM 733 CB LEU A 46 -3.205 -7.703 1.478 1.00 0.00 C ATOM 734 CG LEU A 46 -2.289 -6.528 1.130 1.00 0.00 C ATOM 735 CD1 LEU A 46 -2.628 -5.332 2.021 1.00 0.00 C ATOM 736 CD2 LEU A 46 -0.837 -6.938 1.367 1.00 0.00 C ATOM 0 H LEU A 46 -5.260 -8.927 1.475 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.629 -7.741 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.082 -7.346 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.686 -8.399 2.137 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.430 -6.252 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.975 -4.496 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.666 -5.041 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.485 -5.605 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.179 -6.105 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.702 -7.210 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.592 -7.792 0.736 1.00 0.00 H new ATOM 748 N LYS A 47 -2.907 -10.717 0.439 1.00 0.00 N ATOM 749 CA LYS A 47 -2.021 -11.882 0.152 1.00 0.00 C ATOM 750 C LYS A 47 -2.102 -12.232 -1.332 1.00 0.00 C ATOM 751 O LYS A 47 -1.105 -12.291 -2.025 1.00 0.00 O ATOM 752 CB LYS A 47 -2.575 -13.025 1.003 1.00 0.00 C ATOM 753 CG LYS A 47 -1.455 -13.608 1.866 1.00 0.00 C ATOM 754 CD LYS A 47 -2.052 -14.557 2.906 1.00 0.00 C ATOM 755 CE LYS A 47 -1.783 -14.012 4.309 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.451 -15.210 5.128 1.00 0.00 N ATOM 0 H LYS A 47 -3.668 -10.901 1.092 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.975 -11.679 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.385 -12.662 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.995 -13.800 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.740 -14.141 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.909 -12.806 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.125 -14.662 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.615 -15.550 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.961 -13.297 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.655 -13.492 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.253 -14.918 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.255 -15.870 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.613 -15.680 4.731 1.00 0.00 H new ATOM 770 N SER A 48 -3.287 -12.453 -1.823 1.00 0.00 N ATOM 771 CA SER A 48 -3.448 -12.788 -3.267 1.00 0.00 C ATOM 772 C SER A 48 -2.847 -11.671 -4.118 1.00 0.00 C ATOM 773 O SER A 48 -2.346 -11.906 -5.197 1.00 0.00 O ATOM 774 CB SER A 48 -4.957 -12.891 -3.488 1.00 0.00 C ATOM 775 OG SER A 48 -5.504 -11.587 -3.633 1.00 0.00 O ATOM 0 H SER A 48 -4.154 -12.417 -1.287 1.00 0.00 H new ATOM 0 HA SER A 48 -2.942 -13.713 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.165 -13.486 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.425 -13.402 -2.646 1.00 0.00 H new ATOM 0 HG SER A 48 -5.347 -11.073 -2.813 1.00 0.00 H new ATOM 781 N ILE A 49 -2.878 -10.459 -3.636 1.00 0.00 N ATOM 782 CA ILE A 49 -2.288 -9.340 -4.423 1.00 0.00 C ATOM 783 C ILE A 49 -0.834 -9.681 -4.760 1.00 0.00 C ATOM 784 O ILE A 49 -0.472 -9.813 -5.911 1.00 0.00 O ATOM 785 CB ILE A 49 -2.412 -8.100 -3.513 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.427 -7.136 -4.130 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.065 -7.379 -3.367 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.925 -6.681 -5.502 1.00 0.00 C ATOM 0 H ILE A 49 -3.283 -10.196 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.789 -9.160 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.736 -8.426 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.396 -7.625 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.570 -6.274 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.186 -6.510 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.334 -8.059 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.717 -7.056 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.647 -5.994 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.965 -6.176 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.805 -7.548 -6.151 1.00 0.00 H new ATOM 800 N ARG A 50 -0.007 -9.845 -3.764 1.00 0.00 N ATOM 801 CA ARG A 50 1.417 -10.203 -4.034 1.00 0.00 C ATOM 802 C ARG A 50 1.453 -11.282 -5.115 1.00 0.00 C ATOM 803 O ARG A 50 2.238 -11.234 -6.040 1.00 0.00 O ATOM 804 CB ARG A 50 1.953 -10.745 -2.708 1.00 0.00 C ATOM 805 CG ARG A 50 3.273 -11.478 -2.951 1.00 0.00 C ATOM 806 CD ARG A 50 3.061 -12.985 -2.780 1.00 0.00 C ATOM 807 NE ARG A 50 3.176 -13.227 -1.315 1.00 0.00 N ATOM 808 CZ ARG A 50 2.803 -14.372 -0.813 1.00 0.00 C ATOM 809 NH1 ARG A 50 1.607 -14.833 -1.059 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.626 -15.059 -0.067 1.00 0.00 N ATOM 0 H ARG A 50 -0.253 -9.747 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 50 2.013 -9.360 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.104 -9.927 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.226 -11.422 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.641 -11.264 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.031 -11.125 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.084 -13.291 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.808 -13.554 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 50 3.546 -12.498 -0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.965 -14.298 -1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.315 -15.728 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.562 -14.700 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.333 -15.954 0.325 1.00 0.00 H new ATOM 824 N GLU A 51 0.573 -12.239 -5.011 1.00 0.00 N ATOM 825 CA GLU A 51 0.499 -13.317 -6.035 1.00 0.00 C ATOM 826 C GLU A 51 0.024 -12.696 -7.343 1.00 0.00 C ATOM 827 O GLU A 51 0.695 -12.725 -8.350 1.00 0.00 O ATOM 828 CB GLU A 51 -0.543 -14.289 -5.462 1.00 0.00 C ATOM 829 CG GLU A 51 -1.388 -14.929 -6.571 1.00 0.00 C ATOM 830 CD GLU A 51 -0.488 -15.393 -7.720 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.664 -15.700 -7.459 1.00 0.00 O ATOM 832 OE2 GLU A 51 -0.966 -15.430 -8.842 1.00 0.00 O ATOM 0 H GLU A 51 -0.104 -12.320 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 51 1.445 -13.819 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.039 -15.069 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.194 -13.758 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.945 -15.776 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.121 -14.211 -6.940 1.00 0.00 H new ATOM 839 N ASP A 52 -1.131 -12.120 -7.326 1.00 0.00 N ATOM 840 CA ASP A 52 -1.636 -11.475 -8.564 1.00 0.00 C ATOM 841 C ASP A 52 -0.520 -10.607 -9.138 1.00 0.00 C ATOM 842 O ASP A 52 -0.168 -10.714 -10.296 1.00 0.00 O ATOM 843 CB ASP A 52 -2.827 -10.622 -8.124 1.00 0.00 C ATOM 844 CG ASP A 52 -4.099 -11.470 -8.156 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.081 -12.505 -8.801 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.070 -11.071 -7.535 1.00 0.00 O ATOM 0 H ASP A 52 -1.749 -12.064 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.938 -12.188 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.660 -10.235 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.934 -9.760 -8.783 1.00 0.00 H new ATOM 851 N ILE A 53 0.075 -9.778 -8.324 1.00 0.00 N ATOM 852 CA ILE A 53 1.203 -8.953 -8.823 1.00 0.00 C ATOM 853 C ILE A 53 2.270 -9.903 -9.354 1.00 0.00 C ATOM 854 O ILE A 53 2.962 -9.621 -10.313 1.00 0.00 O ATOM 855 CB ILE A 53 1.719 -8.186 -7.609 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.599 -7.307 -7.049 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.897 -7.309 -8.033 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.174 -6.288 -8.106 1.00 0.00 C ATOM 0 H ILE A 53 -0.171 -9.639 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 53 0.920 -8.265 -9.620 1.00 0.00 H new ATOM 0 HB ILE A 53 2.045 -8.887 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.252 -7.924 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.940 -6.794 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.270 -6.758 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.692 -7.937 -8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.570 -6.605 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.624 -5.662 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.027 -5.664 -8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.184 -6.811 -8.993 1.00 0.00 H new ATOM 870 N VAL A 54 2.377 -11.050 -8.739 1.00 0.00 N ATOM 871 CA VAL A 54 3.361 -12.066 -9.193 1.00 0.00 C ATOM 872 C VAL A 54 2.852 -12.693 -10.495 1.00 0.00 C ATOM 873 O VAL A 54 3.404 -12.478 -11.556 1.00 0.00 O ATOM 874 CB VAL A 54 3.418 -13.090 -8.044 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.742 -14.486 -8.577 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.497 -12.671 -7.047 1.00 0.00 C ATOM 0 H VAL A 54 1.817 -11.326 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 54 4.352 -11.662 -9.402 1.00 0.00 H new ATOM 0 HB VAL A 54 2.444 -13.119 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.777 -15.193 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.971 -14.794 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.709 -14.468 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.540 -13.394 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.463 -12.634 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.259 -11.686 -6.646 1.00 0.00 H new ATOM 886 N SER A 55 1.786 -13.441 -10.426 1.00 0.00 N ATOM 887 CA SER A 55 1.224 -14.053 -11.663 1.00 0.00 C ATOM 888 C SER A 55 0.070 -13.192 -12.180 1.00 0.00 C ATOM 889 O SER A 55 -0.717 -12.676 -11.413 1.00 0.00 O ATOM 890 CB SER A 55 0.718 -15.434 -11.252 1.00 0.00 C ATOM 891 OG SER A 55 1.089 -15.697 -9.905 1.00 0.00 O ATOM 0 H SER A 55 1.280 -13.655 -9.567 1.00 0.00 H new ATOM 0 HA SER A 55 1.965 -14.125 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.366 -15.481 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.136 -16.196 -11.910 1.00 0.00 H new ATOM 0 HG SER A 55 0.367 -16.185 -9.456 1.00 0.00 H new ATOM 897 N GLY A 56 -0.045 -13.032 -13.467 1.00 0.00 N ATOM 898 CA GLY A 56 -1.154 -12.203 -14.006 1.00 0.00 C ATOM 899 C GLY A 56 -0.628 -10.811 -14.342 1.00 0.00 C ATOM 900 O GLY A 56 -0.194 -10.072 -13.480 1.00 0.00 O ATOM 0 H GLY A 56 0.578 -13.437 -14.166 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.573 -12.671 -14.897 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.959 -12.133 -13.275 1.00 0.00 H new ATOM 904 N LYS A 57 -0.664 -10.448 -15.590 1.00 0.00 N ATOM 905 CA LYS A 57 -0.169 -9.100 -16.002 1.00 0.00 C ATOM 906 C LYS A 57 -1.082 -8.000 -15.449 1.00 0.00 C ATOM 907 O LYS A 57 -1.573 -7.160 -16.178 1.00 0.00 O ATOM 908 CB LYS A 57 -0.220 -9.115 -17.529 1.00 0.00 C ATOM 909 CG LYS A 57 0.405 -7.830 -18.073 1.00 0.00 C ATOM 910 CD LYS A 57 1.419 -8.177 -19.163 1.00 0.00 C ATOM 911 CE LYS A 57 2.016 -6.888 -19.733 1.00 0.00 C ATOM 912 NZ LYS A 57 3.446 -6.907 -19.317 1.00 0.00 N ATOM 0 H LYS A 57 -1.017 -11.028 -16.351 1.00 0.00 H new ATOM 0 HA LYS A 57 0.833 -8.897 -15.624 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.316 -9.983 -17.913 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.252 -9.202 -17.868 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.370 -7.179 -18.477 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.894 -7.282 -17.268 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.209 -8.806 -18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.936 -8.748 -19.956 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.921 -6.856 -20.818 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.503 -6.009 -19.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.922 -6.053 -19.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.505 -6.931 -18.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.911 -7.751 -19.709 1.00 0.00 H new ATOM 926 N ALA A 58 -1.312 -7.998 -14.166 1.00 0.00 N ATOM 927 CA ALA A 58 -2.186 -6.961 -13.557 1.00 0.00 C ATOM 928 C ALA A 58 -1.439 -5.630 -13.452 1.00 0.00 C ATOM 929 O ALA A 58 -2.028 -4.589 -13.248 1.00 0.00 O ATOM 930 CB ALA A 58 -2.486 -7.510 -12.170 1.00 0.00 C ATOM 0 H ALA A 58 -0.928 -8.677 -13.509 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.086 -6.768 -14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.130 -6.813 -11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.989 -8.473 -12.261 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.554 -7.639 -11.620 1.00 0.00 H new ATOM 936 N ASN A 59 -0.142 -5.670 -13.585 1.00 0.00 N ATOM 937 CA ASN A 59 0.681 -4.428 -13.492 1.00 0.00 C ATOM 938 C ASN A 59 0.734 -3.942 -12.038 1.00 0.00 C ATOM 939 O ASN A 59 0.895 -4.726 -11.125 1.00 0.00 O ATOM 940 CB ASN A 59 -0.024 -3.420 -14.394 1.00 0.00 C ATOM 941 CG ASN A 59 0.951 -2.308 -14.790 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.732 -1.153 -14.481 1.00 0.00 O ATOM 943 ND2 ASN A 59 2.027 -2.609 -15.465 1.00 0.00 N ATOM 0 H ASN A 59 0.391 -6.522 -13.757 1.00 0.00 H new ATOM 0 HA ASN A 59 1.714 -4.582 -13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.403 -3.919 -15.286 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.884 -2.995 -13.877 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.683 -1.875 -15.733 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.212 -3.578 -15.725 1.00 0.00 H new ATOM 950 N PHE A 60 0.608 -2.661 -11.806 1.00 0.00 N ATOM 951 CA PHE A 60 0.664 -2.159 -10.402 1.00 0.00 C ATOM 952 C PHE A 60 0.350 -0.662 -10.349 1.00 0.00 C ATOM 953 O PHE A 60 -0.227 -0.174 -9.398 1.00 0.00 O ATOM 954 CB PHE A 60 2.102 -2.420 -9.952 1.00 0.00 C ATOM 955 CG PHE A 60 2.272 -1.994 -8.512 1.00 0.00 C ATOM 956 CD1 PHE A 60 2.407 -0.637 -8.192 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.296 -2.957 -7.497 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.566 -0.245 -6.857 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.455 -2.565 -6.163 1.00 0.00 C ATOM 960 CZ PHE A 60 2.589 -1.209 -5.843 1.00 0.00 C ATOM 0 H PHE A 60 0.470 -1.947 -12.521 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.067 -2.652 -9.761 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.340 -3.478 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.797 -1.872 -10.588 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.388 0.107 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.192 -4.003 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.671 0.801 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.474 -3.309 -5.380 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.710 -0.907 -4.813 1.00 0.00 H new ATOM 970 N GLU A 61 0.729 0.072 -11.357 1.00 0.00 N ATOM 971 CA GLU A 61 0.454 1.537 -11.355 1.00 0.00 C ATOM 972 C GLU A 61 -1.052 1.793 -11.432 1.00 0.00 C ATOM 973 O GLU A 61 -1.708 1.968 -10.424 1.00 0.00 O ATOM 974 CB GLU A 61 1.157 2.077 -12.599 1.00 0.00 C ATOM 975 CG GLU A 61 2.672 1.931 -12.437 1.00 0.00 C ATOM 976 CD GLU A 61 3.376 2.545 -13.648 1.00 0.00 C ATOM 977 OE1 GLU A 61 3.418 3.762 -13.730 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.860 1.789 -14.474 1.00 0.00 O ATOM 0 H GLU A 61 1.217 -0.278 -12.182 1.00 0.00 H new ATOM 0 HA GLU A 61 0.811 2.022 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.822 1.534 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.897 3.125 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.000 2.426 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.939 0.878 -12.343 1.00 0.00 H new ATOM 985 N GLU A 62 -1.605 1.816 -12.616 1.00 0.00 N ATOM 986 CA GLU A 62 -3.071 2.057 -12.749 1.00 0.00 C ATOM 987 C GLU A 62 -3.820 1.277 -11.670 1.00 0.00 C ATOM 988 O GLU A 62 -4.768 1.760 -11.084 1.00 0.00 O ATOM 989 CB GLU A 62 -3.435 1.540 -14.139 1.00 0.00 C ATOM 990 CG GLU A 62 -4.569 2.388 -14.717 1.00 0.00 C ATOM 991 CD GLU A 62 -5.310 1.586 -15.788 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.953 0.437 -15.992 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.222 2.133 -16.385 1.00 0.00 O ATOM 0 H GLU A 62 -1.106 1.679 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.335 3.108 -12.630 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.565 1.582 -14.794 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.740 0.495 -14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.258 2.681 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.168 3.306 -15.147 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.390 0.078 -11.388 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.068 -0.719 -10.331 1.00 0.00 C ATOM 1002 C VAL A 63 -4.104 0.093 -9.040 1.00 0.00 C ATOM 1003 O VAL A 63 -5.079 0.096 -8.315 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.204 -1.966 -10.152 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.889 -2.926 -9.179 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.014 -2.657 -11.503 1.00 0.00 C ATOM 0 H VAL A 63 -2.601 -0.382 -11.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.094 -0.978 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.231 -1.678 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.273 -3.816 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.021 -2.434 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.863 -3.213 -9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.397 -3.546 -11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.986 -2.945 -11.904 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.523 -1.973 -12.196 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.041 0.792 -8.755 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.001 1.617 -7.519 1.00 0.00 C ATOM 1018 C ALA A 64 -4.036 2.738 -7.614 1.00 0.00 C ATOM 1019 O ALA A 64 -4.869 2.904 -6.746 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.587 2.195 -7.478 1.00 0.00 C ATOM 0 H ALA A 64 -2.197 0.827 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.230 1.041 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.475 2.819 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.862 1.382 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.414 2.797 -8.370 1.00 0.00 H new ATOM 1026 N THR A 65 -3.988 3.506 -8.667 1.00 0.00 N ATOM 1027 CA THR A 65 -4.968 4.618 -8.825 1.00 0.00 C ATOM 1028 C THR A 65 -6.372 4.144 -8.439 1.00 0.00 C ATOM 1029 O THR A 65 -7.185 4.909 -7.960 1.00 0.00 O ATOM 1030 CB THR A 65 -4.917 4.988 -10.310 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.811 4.342 -10.926 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.770 6.503 -10.456 1.00 0.00 C ATOM 0 H THR A 65 -3.312 3.412 -9.425 1.00 0.00 H new ATOM 0 HA THR A 65 -4.732 5.469 -8.186 1.00 0.00 H new ATOM 0 HB THR A 65 -5.839 4.665 -10.793 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.980 4.786 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.734 6.765 -11.513 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.621 6.998 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.850 6.828 -9.970 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.666 2.889 -8.643 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.020 2.375 -8.285 1.00 0.00 C ATOM 1042 C ARG A 66 -8.015 1.823 -6.859 1.00 0.00 C ATOM 1043 O ARG A 66 -8.800 2.223 -6.021 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.304 1.261 -9.295 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.816 1.063 -9.416 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.112 -0.370 -9.859 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.509 -0.625 -9.410 1.00 0.00 N ATOM 1048 CZ ARG A 66 -11.796 -1.721 -8.761 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -11.764 -2.871 -9.376 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.114 -1.667 -7.496 1.00 0.00 N ATOM 0 H ARG A 66 -6.030 2.198 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.780 3.155 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.880 1.518 -10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.829 0.334 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.297 1.265 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.229 1.770 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.018 -0.478 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.416 -1.076 -9.406 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.241 0.056 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.515 -2.914 -10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.988 -3.727 -8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.138 -0.768 -7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.338 -2.523 -6.989 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.132 0.911 -6.578 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.059 0.329 -5.208 1.00 0.00 C ATOM 1066 C VAL A 67 -6.003 1.076 -4.392 1.00 0.00 C ATOM 1067 O VAL A 67 -5.000 0.519 -3.997 1.00 0.00 O ATOM 1068 CB VAL A 67 -6.648 -1.127 -5.423 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.205 -1.181 -5.922 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -6.754 -1.889 -4.103 1.00 0.00 C ATOM 0 H VAL A 67 -6.452 0.539 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.000 0.405 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.308 -1.583 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.912 -2.220 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.125 -0.638 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.547 -0.724 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.461 -2.927 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.095 -1.432 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.782 -1.852 -3.743 1.00 0.00 H new ATOM 1080 N SER A 68 -6.214 2.339 -4.155 1.00 0.00 N ATOM 1081 CA SER A 68 -5.215 3.134 -3.384 1.00 0.00 C ATOM 1082 C SER A 68 -5.901 3.938 -2.277 1.00 0.00 C ATOM 1083 O SER A 68 -7.112 3.987 -2.190 1.00 0.00 O ATOM 1084 CB SER A 68 -4.616 4.075 -4.419 1.00 0.00 C ATOM 1085 OG SER A 68 -5.659 4.522 -5.274 1.00 0.00 O ATOM 0 H SER A 68 -7.037 2.858 -4.462 1.00 0.00 H new ATOM 0 HA SER A 68 -4.470 2.506 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.137 4.923 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.845 3.564 -4.996 1.00 0.00 H new ATOM 0 HG SER A 68 -5.757 3.899 -6.024 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.132 4.572 -1.430 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.735 5.379 -0.328 1.00 0.00 C ATOM 1093 C ASP A 69 -6.356 6.657 -0.891 1.00 0.00 C ATOM 1094 O ASP A 69 -5.864 7.746 -0.676 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.570 5.716 0.603 1.00 0.00 C ATOM 1096 CG ASP A 69 -5.085 6.536 1.787 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -6.257 6.878 1.781 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.300 6.808 2.680 1.00 0.00 O ATOM 0 H ASP A 69 -4.112 4.566 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.528 4.840 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.098 4.800 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.808 6.277 0.062 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.435 6.527 -1.614 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.100 7.726 -2.202 1.00 0.00 C ATOM 1105 C CYS A 70 -7.050 8.703 -2.742 1.00 0.00 C ATOM 1106 O CYS A 70 -6.598 8.588 -3.868 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.888 8.354 -1.051 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.548 9.956 -1.572 1.00 0.00 S ATOM 0 H CYS A 70 -7.887 5.637 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.749 7.468 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.702 7.694 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.243 8.480 -0.181 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.956 9.877 -2.804 1.00 0.00 H new ATOM 1114 N SER A 71 -6.636 9.654 -1.947 1.00 0.00 N ATOM 1115 CA SER A 71 -5.597 10.603 -2.422 1.00 0.00 C ATOM 1116 C SER A 71 -4.484 9.795 -3.068 1.00 0.00 C ATOM 1117 O SER A 71 -4.061 10.062 -4.175 1.00 0.00 O ATOM 1118 CB SER A 71 -5.099 11.296 -1.160 1.00 0.00 C ATOM 1119 OG SER A 71 -4.198 12.336 -1.514 1.00 0.00 O ATOM 0 H SER A 71 -6.972 9.811 -0.997 1.00 0.00 H new ATOM 0 HA SER A 71 -5.960 11.326 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.941 11.704 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.603 10.576 -0.509 1.00 0.00 H new ATOM 0 HG SER A 71 -3.879 12.783 -0.702 1.00 0.00 H new ATOM 1125 N SER A 72 -4.035 8.783 -2.389 1.00 0.00 N ATOM 1126 CA SER A 72 -2.975 7.923 -2.970 1.00 0.00 C ATOM 1127 C SER A 72 -3.396 7.535 -4.382 1.00 0.00 C ATOM 1128 O SER A 72 -2.585 7.432 -5.269 1.00 0.00 O ATOM 1129 CB SER A 72 -2.899 6.697 -2.062 1.00 0.00 C ATOM 1130 OG SER A 72 -2.134 5.683 -2.701 1.00 0.00 O ATOM 0 H SER A 72 -4.355 8.514 -1.459 1.00 0.00 H new ATOM 0 HA SER A 72 -2.005 8.415 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.444 6.965 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.902 6.329 -1.845 1.00 0.00 H new ATOM 0 HG SER A 72 -1.246 5.634 -2.288 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.665 7.353 -4.617 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.099 7.015 -6.000 1.00 0.00 C ATOM 1138 C ALA A 73 -4.493 8.038 -6.949 1.00 0.00 C ATOM 1139 O ALA A 73 -3.903 7.700 -7.956 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.625 7.111 -5.989 1.00 0.00 C ATOM 0 H ALA A 73 -5.410 7.422 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.782 6.023 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.012 6.873 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.029 6.405 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.924 8.123 -5.716 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.601 9.292 -6.612 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.991 10.340 -7.476 1.00 0.00 C ATOM 1148 C LYS A 74 -2.482 10.086 -7.548 1.00 0.00 C ATOM 1149 O LYS A 74 -1.804 10.491 -8.472 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.289 11.662 -6.765 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.842 12.827 -7.650 1.00 0.00 C ATOM 1152 CD LYS A 74 -2.969 13.785 -6.837 1.00 0.00 C ATOM 1153 CE LYS A 74 -3.753 14.283 -5.620 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.178 15.623 -5.315 1.00 0.00 N ATOM 0 H LYS A 74 -5.082 9.636 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.379 10.346 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.355 11.741 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.769 11.698 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.285 12.452 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.712 13.355 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.059 13.279 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.663 14.629 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.819 14.351 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.643 13.604 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.665 16.030 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.164 15.526 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.304 16.250 -6.136 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.971 9.400 -6.562 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.519 9.068 -6.507 1.00 0.00 C ATOM 1170 C ARG A 75 -0.357 7.545 -6.412 1.00 0.00 C ATOM 1171 O ARG A 75 0.466 7.038 -5.677 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.035 9.736 -5.218 1.00 0.00 C ATOM 1173 CG ARG A 75 0.174 11.230 -5.461 1.00 0.00 C ATOM 1174 CD ARG A 75 1.595 11.624 -5.053 1.00 0.00 C ATOM 1175 NE ARG A 75 1.778 13.003 -5.588 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.773 13.740 -5.173 1.00 0.00 C ATOM 1177 NH1 ARG A 75 3.741 13.202 -4.483 1.00 0.00 N ATOM 1178 NH2 ARG A 75 2.797 15.016 -5.448 1.00 0.00 N ATOM 0 H ARG A 75 -2.513 9.047 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 75 0.038 9.404 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.765 9.585 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.897 9.277 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.009 11.464 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.552 11.807 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.716 11.601 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.331 10.937 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 75 1.125 13.372 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.721 12.205 -4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.518 13.778 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.039 15.436 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.573 15.593 -5.125 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.169 6.817 -7.133 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.111 5.328 -7.078 1.00 0.00 C ATOM 1194 C GLY A 76 0.279 4.859 -7.470 1.00 0.00 C ATOM 1195 O GLY A 76 0.663 3.734 -7.222 1.00 0.00 O ATOM 0 H GLY A 76 -1.876 7.195 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.353 4.981 -6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.854 4.900 -7.751 1.00 0.00 H new ATOM 1199 N GLY A 77 1.038 5.714 -8.080 1.00 0.00 N ATOM 1200 CA GLY A 77 2.408 5.317 -8.488 1.00 0.00 C ATOM 1201 C GLY A 77 3.216 4.939 -7.247 1.00 0.00 C ATOM 1202 O GLY A 77 3.103 3.845 -6.708 1.00 0.00 O ATOM 0 H GLY A 77 0.772 6.670 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.364 4.474 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.894 6.137 -9.017 1.00 0.00 H new ATOM 1206 N ASP A 78 4.037 5.831 -6.783 1.00 0.00 N ATOM 1207 CA ASP A 78 4.852 5.505 -5.589 1.00 0.00 C ATOM 1208 C ASP A 78 5.088 6.741 -4.720 1.00 0.00 C ATOM 1209 O ASP A 78 4.612 7.822 -5.005 1.00 0.00 O ATOM 1210 CB ASP A 78 6.176 4.994 -6.159 1.00 0.00 C ATOM 1211 CG ASP A 78 6.911 6.143 -6.852 1.00 0.00 C ATOM 1212 OD1 ASP A 78 7.571 6.901 -6.161 1.00 0.00 O ATOM 1213 OD2 ASP A 78 6.801 6.246 -8.062 1.00 0.00 O ATOM 0 H ASP A 78 4.178 6.762 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 78 4.358 4.775 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.793 4.583 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.992 4.186 -6.867 1.00 0.00 H new ATOM 1218 N LEU A 79 5.837 6.579 -3.664 1.00 0.00 N ATOM 1219 CA LEU A 79 6.135 7.729 -2.768 1.00 0.00 C ATOM 1220 C LEU A 79 7.299 8.526 -3.350 1.00 0.00 C ATOM 1221 O LEU A 79 7.185 9.691 -3.677 1.00 0.00 O ATOM 1222 CB LEU A 79 6.557 7.098 -1.435 1.00 0.00 C ATOM 1223 CG LEU A 79 5.480 6.126 -0.941 1.00 0.00 C ATOM 1224 CD1 LEU A 79 5.841 4.697 -1.347 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.396 6.193 0.583 1.00 0.00 C ATOM 0 H LEU A 79 6.257 5.693 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 79 5.285 8.401 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.503 6.571 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.721 7.878 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 79 4.524 6.404 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.071 4.012 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.910 4.634 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.800 4.425 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.630 5.502 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.359 5.918 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.139 7.207 0.889 1.00 0.00 H new ATOM 1237 N GLY A 80 8.422 7.885 -3.461 1.00 0.00 N ATOM 1238 CA GLY A 80 9.636 8.542 -3.996 1.00 0.00 C ATOM 1239 C GLY A 80 10.759 8.276 -3.016 1.00 0.00 C ATOM 1240 O GLY A 80 11.482 7.323 -3.149 1.00 0.00 O ATOM 0 H GLY A 80 8.551 6.908 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.884 8.148 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.474 9.613 -4.113 1.00 0.00 H new ATOM 1244 N SER A 81 10.877 9.098 -2.014 1.00 0.00 N ATOM 1245 CA SER A 81 11.939 8.893 -0.989 1.00 0.00 C ATOM 1246 C SER A 81 11.496 9.490 0.348 1.00 0.00 C ATOM 1247 O SER A 81 11.005 10.599 0.408 1.00 0.00 O ATOM 1248 CB SER A 81 13.155 9.638 -1.517 1.00 0.00 C ATOM 1249 OG SER A 81 13.037 11.019 -1.198 1.00 0.00 O ATOM 0 H SER A 81 10.279 9.910 -1.858 1.00 0.00 H new ATOM 0 HA SER A 81 12.149 7.837 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.065 9.228 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.235 9.508 -2.596 1.00 0.00 H new ATOM 0 HG SER A 81 13.600 11.225 -0.423 1.00 0.00 H new ATOM 1255 N PHE A 82 11.666 8.769 1.419 1.00 0.00 N ATOM 1256 CA PHE A 82 11.254 9.307 2.746 1.00 0.00 C ATOM 1257 C PHE A 82 11.828 8.432 3.866 1.00 0.00 C ATOM 1258 O PHE A 82 12.941 7.954 3.776 1.00 0.00 O ATOM 1259 CB PHE A 82 9.724 9.262 2.727 1.00 0.00 C ATOM 1260 CG PHE A 82 9.267 7.862 2.398 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.237 7.431 1.066 1.00 0.00 C ATOM 1262 CD2 PHE A 82 8.871 6.995 3.422 1.00 0.00 C ATOM 1263 CE1 PHE A 82 8.815 6.134 0.758 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.448 5.697 3.115 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.419 5.267 1.781 1.00 0.00 C ATOM 0 H PHE A 82 12.071 7.833 1.435 1.00 0.00 H new ATOM 0 HA PHE A 82 11.620 10.317 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.328 9.567 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.338 9.965 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.540 8.101 0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.892 7.327 4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.795 5.802 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.144 5.027 3.905 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.091 4.266 1.543 1.00 0.00 H new ATOM 1275 N GLY A 83 11.090 8.220 4.922 1.00 0.00 N ATOM 1276 CA GLY A 83 11.616 7.380 6.033 1.00 0.00 C ATOM 1277 C GLY A 83 11.538 8.161 7.343 1.00 0.00 C ATOM 1278 O GLY A 83 10.722 7.883 8.199 1.00 0.00 O ATOM 0 H GLY A 83 10.150 8.591 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.039 6.459 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.648 7.093 5.829 1.00 0.00 H new ATOM 1282 N ARG A 84 12.384 9.137 7.503 1.00 0.00 N ATOM 1283 CA ARG A 84 12.367 9.942 8.758 1.00 0.00 C ATOM 1284 C ARG A 84 11.070 10.750 8.851 1.00 0.00 C ATOM 1285 O ARG A 84 10.610 11.081 9.925 1.00 0.00 O ATOM 1286 CB ARG A 84 13.574 10.875 8.649 1.00 0.00 C ATOM 1287 CG ARG A 84 14.806 10.192 9.246 1.00 0.00 C ATOM 1288 CD ARG A 84 14.973 8.801 8.630 1.00 0.00 C ATOM 1289 NE ARG A 84 16.348 8.378 9.009 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.527 7.583 10.027 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.077 7.922 11.203 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.155 6.450 9.869 1.00 0.00 N ATOM 0 H ARG A 84 13.088 9.414 6.819 1.00 0.00 H new ATOM 0 HA ARG A 84 12.416 9.317 9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.757 11.129 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.373 11.809 9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.695 10.794 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.701 10.111 10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.226 8.106 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.853 8.831 7.547 1.00 0.00 H new ATOM 0 HE ARG A 84 17.150 8.710 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.586 8.808 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.216 7.302 12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.506 6.186 8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.295 5.829 10.666 1.00 0.00 H new ATOM 1306 N GLY A 85 10.478 11.070 7.733 1.00 0.00 N ATOM 1307 CA GLY A 85 9.211 11.857 7.759 1.00 0.00 C ATOM 1308 C GLY A 85 8.099 11.056 7.079 1.00 0.00 C ATOM 1309 O GLY A 85 8.165 9.848 6.976 1.00 0.00 O ATOM 0 H GLY A 85 10.816 10.821 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.933 12.085 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.352 12.810 7.249 1.00 0.00 H new ATOM 1313 N GLN A 86 7.075 11.720 6.612 1.00 0.00 N ATOM 1314 CA GLN A 86 5.962 10.991 5.939 1.00 0.00 C ATOM 1315 C GLN A 86 5.486 9.823 6.814 1.00 0.00 C ATOM 1316 O GLN A 86 5.027 10.000 7.925 1.00 0.00 O ATOM 1317 CB GLN A 86 6.572 10.448 4.643 1.00 0.00 C ATOM 1318 CG GLN A 86 7.273 11.549 3.870 1.00 0.00 C ATOM 1319 CD GLN A 86 6.253 12.576 3.363 1.00 0.00 C ATOM 1320 OE1 GLN A 86 4.976 12.294 3.391 1.00 0.00 O flip ATOM 1321 NE2 GLN A 86 6.623 13.652 2.937 1.00 0.00 N flip ATOM 0 H GLN A 86 6.962 12.732 6.667 1.00 0.00 H new ATOM 0 HA GLN A 86 5.102 11.636 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.281 9.654 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.790 10.006 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.007 12.040 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.818 11.122 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.618 13.876 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.939 14.331 2.603 1.00 0.00 H new ATOM 1330 N MET A 87 5.612 8.630 6.305 1.00 0.00 N ATOM 1331 CA MET A 87 5.208 7.417 7.040 1.00 0.00 C ATOM 1332 C MET A 87 5.732 7.464 8.478 1.00 0.00 C ATOM 1333 O MET A 87 6.425 8.384 8.866 1.00 0.00 O ATOM 1334 CB MET A 87 5.890 6.325 6.223 1.00 0.00 C ATOM 1335 CG MET A 87 4.944 5.841 5.115 1.00 0.00 C ATOM 1336 SD MET A 87 4.170 7.257 4.288 1.00 0.00 S ATOM 1337 CE MET A 87 5.543 7.668 3.178 1.00 0.00 C ATOM 0 H MET A 87 5.993 8.448 5.376 1.00 0.00 H new ATOM 0 HA MET A 87 4.131 7.278 7.136 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.812 6.707 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.165 5.492 6.870 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.497 5.245 4.389 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.176 5.194 5.539 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.203 8.381 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.357 8.108 3.754 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.896 6.762 2.685 1.00 0.00 H new ATOM 1347 N GLN A 88 5.400 6.488 9.274 1.00 0.00 N ATOM 1348 CA GLN A 88 5.875 6.491 10.685 1.00 0.00 C ATOM 1349 C GLN A 88 6.583 5.167 11.017 1.00 0.00 C ATOM 1350 O GLN A 88 7.481 4.744 10.317 1.00 0.00 O ATOM 1351 CB GLN A 88 4.604 6.667 11.521 1.00 0.00 C ATOM 1352 CG GLN A 88 3.973 8.027 11.213 1.00 0.00 C ATOM 1353 CD GLN A 88 2.501 7.836 10.841 1.00 0.00 C ATOM 1354 OE1 GLN A 88 2.038 6.722 10.700 1.00 0.00 O ATOM 1355 NE2 GLN A 88 1.740 8.884 10.678 1.00 0.00 N ATOM 0 H GLN A 88 4.822 5.690 9.010 1.00 0.00 H new ATOM 0 HA GLN A 88 6.601 7.280 10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.897 5.868 11.299 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.842 6.597 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.058 8.683 12.079 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.506 8.510 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.128 9.820 10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.757 8.767 10.432 1.00 0.00 H new ATOM 1364 N LYS A 89 6.195 4.518 12.083 1.00 0.00 N ATOM 1365 CA LYS A 89 6.851 3.237 12.467 1.00 0.00 C ATOM 1366 C LYS A 89 6.317 2.035 11.660 1.00 0.00 C ATOM 1367 O LYS A 89 7.064 1.114 11.391 1.00 0.00 O ATOM 1368 CB LYS A 89 6.514 3.070 13.949 1.00 0.00 C ATOM 1369 CG LYS A 89 6.911 1.669 14.417 1.00 0.00 C ATOM 1370 CD LYS A 89 6.822 1.601 15.943 1.00 0.00 C ATOM 1371 CE LYS A 89 5.371 1.341 16.358 1.00 0.00 C ATOM 1372 NZ LYS A 89 5.019 2.475 17.258 1.00 0.00 N ATOM 0 H LYS A 89 5.448 4.823 12.706 1.00 0.00 H new ATOM 0 HA LYS A 89 7.922 3.267 12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.039 3.822 14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.447 3.228 14.109 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.253 0.924 13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.925 1.437 14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.467 0.808 16.321 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.175 2.535 16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.712 1.307 15.490 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.272 0.384 16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.037 2.367 17.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.658 2.478 18.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.115 3.372 16.740 1.00 0.00 H new ATOM 1386 N PRO A 90 5.047 2.050 11.313 1.00 0.00 N ATOM 1387 CA PRO A 90 4.471 0.901 10.568 1.00 0.00 C ATOM 1388 C PRO A 90 4.984 0.846 9.127 1.00 0.00 C ATOM 1389 O PRO A 90 5.727 -0.041 8.764 1.00 0.00 O ATOM 1390 CB PRO A 90 2.968 1.154 10.610 1.00 0.00 C ATOM 1391 CG PRO A 90 2.825 2.627 10.805 1.00 0.00 C ATOM 1392 CD PRO A 90 4.044 3.100 11.558 1.00 0.00 C ATOM 0 HA PRO A 90 4.750 -0.058 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.488 0.831 9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.498 0.601 11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.745 3.136 9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.917 2.854 11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.385 4.070 11.195 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.836 3.213 12.622 1.00 0.00 H new ATOM 1400 N PHE A 91 4.592 1.765 8.292 1.00 0.00 N ATOM 1401 CA PHE A 91 5.076 1.710 6.885 1.00 0.00 C ATOM 1402 C PHE A 91 6.604 1.689 6.854 1.00 0.00 C ATOM 1403 O PHE A 91 7.213 0.811 6.280 1.00 0.00 O ATOM 1404 CB PHE A 91 4.548 2.979 6.201 1.00 0.00 C ATOM 1405 CG PHE A 91 5.067 3.027 4.776 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.441 3.156 4.528 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.179 2.908 3.699 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.923 3.166 3.227 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.669 2.927 2.383 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.042 3.054 2.150 1.00 0.00 C ATOM 0 H PHE A 91 3.968 2.540 8.516 1.00 0.00 H new ATOM 0 HA PHE A 91 4.726 0.811 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.458 2.982 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.871 3.864 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.129 3.248 5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.120 2.802 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.984 3.261 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.985 2.844 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.420 3.065 1.138 1.00 0.00 H new ATOM 1420 N GLU A 92 7.223 2.675 7.431 1.00 0.00 N ATOM 1421 CA GLU A 92 8.714 2.746 7.404 1.00 0.00 C ATOM 1422 C GLU A 92 9.336 1.363 7.585 1.00 0.00 C ATOM 1423 O GLU A 92 9.905 0.808 6.666 1.00 0.00 O ATOM 1424 CB GLU A 92 9.089 3.666 8.566 1.00 0.00 C ATOM 1425 CG GLU A 92 10.612 3.796 8.649 1.00 0.00 C ATOM 1426 CD GLU A 92 11.014 4.175 10.075 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.892 3.330 10.947 1.00 0.00 O ATOM 1428 OE2 GLU A 92 11.437 5.302 10.271 1.00 0.00 O ATOM 0 H GLU A 92 6.763 3.440 7.924 1.00 0.00 H new ATOM 0 HA GLU A 92 9.083 3.120 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.637 4.648 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.697 3.266 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.084 2.856 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.962 4.553 7.948 1.00 0.00 H new ATOM 1435 N GLU A 93 9.239 0.799 8.753 1.00 0.00 N ATOM 1436 CA GLU A 93 9.840 -0.548 8.957 1.00 0.00 C ATOM 1437 C GLU A 93 9.389 -1.490 7.835 1.00 0.00 C ATOM 1438 O GLU A 93 10.026 -2.486 7.554 1.00 0.00 O ATOM 1439 CB GLU A 93 9.344 -1.015 10.330 1.00 0.00 C ATOM 1440 CG GLU A 93 7.952 -1.638 10.212 1.00 0.00 C ATOM 1441 CD GLU A 93 7.512 -2.160 11.580 1.00 0.00 C ATOM 1442 OE1 GLU A 93 7.148 -1.346 12.413 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.547 -3.364 11.773 1.00 0.00 O ATOM 0 H GLU A 93 8.776 1.204 9.567 1.00 0.00 H new ATOM 0 HA GLU A 93 10.930 -0.532 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.041 -1.742 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.314 -0.171 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.240 -0.898 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.966 -2.452 9.487 1.00 0.00 H new ATOM 1450 N ALA A 94 8.302 -1.174 7.179 1.00 0.00 N ATOM 1451 CA ALA A 94 7.826 -2.044 6.064 1.00 0.00 C ATOM 1452 C ALA A 94 8.754 -1.903 4.864 1.00 0.00 C ATOM 1453 O ALA A 94 9.329 -2.865 4.393 1.00 0.00 O ATOM 1454 CB ALA A 94 6.431 -1.528 5.711 1.00 0.00 C ATOM 0 H ALA A 94 7.726 -0.354 7.367 1.00 0.00 H new ATOM 0 HA ALA A 94 7.810 -3.097 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.019 -2.123 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.782 -1.608 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.496 -0.485 5.402 1.00 0.00 H new ATOM 1460 N THR A 95 8.914 -0.709 4.367 1.00 0.00 N ATOM 1461 CA THR A 95 9.817 -0.518 3.200 1.00 0.00 C ATOM 1462 C THR A 95 11.258 -0.712 3.655 1.00 0.00 C ATOM 1463 O THR A 95 12.109 -1.146 2.904 1.00 0.00 O ATOM 1464 CB THR A 95 9.576 0.917 2.729 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.198 1.089 2.431 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.408 1.189 1.475 1.00 0.00 C ATOM 0 H THR A 95 8.462 0.137 4.715 1.00 0.00 H new ATOM 0 HA THR A 95 9.628 -1.228 2.394 1.00 0.00 H new ATOM 0 HB THR A 95 9.868 1.613 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.798 1.705 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.236 2.212 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.465 1.055 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.116 0.495 0.687 1.00 0.00 H new ATOM 1474 N TYR A 96 11.529 -0.414 4.893 1.00 0.00 N ATOM 1475 CA TYR A 96 12.903 -0.605 5.416 1.00 0.00 C ATOM 1476 C TYR A 96 13.165 -2.103 5.573 1.00 0.00 C ATOM 1477 O TYR A 96 14.293 -2.553 5.608 1.00 0.00 O ATOM 1478 CB TYR A 96 12.903 0.080 6.781 1.00 0.00 C ATOM 1479 CG TYR A 96 13.448 1.480 6.649 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.831 1.693 6.592 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.570 2.569 6.588 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.335 2.994 6.472 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.074 3.870 6.470 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.456 4.082 6.412 1.00 0.00 C ATOM 1485 OH TYR A 96 14.956 5.364 6.298 1.00 0.00 O ATOM 0 H TYR A 96 10.855 -0.046 5.565 1.00 0.00 H new ATOM 0 HA TYR A 96 13.672 -0.195 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.890 0.110 7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.508 -0.491 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.509 0.854 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.503 2.405 6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.401 3.158 6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.396 4.710 6.424 1.00 0.00 H new ATOM 0 HH TYR A 96 15.807 5.341 5.813 1.00 0.00 H new ATOM 1495 N ALA A 97 12.115 -2.876 5.668 1.00 0.00 N ATOM 1496 CA ALA A 97 12.274 -4.347 5.825 1.00 0.00 C ATOM 1497 C ALA A 97 12.275 -5.029 4.455 1.00 0.00 C ATOM 1498 O ALA A 97 13.209 -5.718 4.096 1.00 0.00 O ATOM 1499 CB ALA A 97 11.054 -4.785 6.638 1.00 0.00 C ATOM 0 H ALA A 97 11.150 -2.547 5.643 1.00 0.00 H new ATOM 0 HA ALA A 97 13.212 -4.614 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.092 -5.862 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.055 -4.273 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.144 -4.532 6.094 1.00 0.00 H new ATOM 1505 N LEU A 98 11.237 -4.844 3.687 1.00 0.00 N ATOM 1506 CA LEU A 98 11.189 -5.487 2.341 1.00 0.00 C ATOM 1507 C LEU A 98 11.654 -4.505 1.265 1.00 0.00 C ATOM 1508 O LEU A 98 11.229 -3.368 1.223 1.00 0.00 O ATOM 1509 CB LEU A 98 9.723 -5.866 2.122 1.00 0.00 C ATOM 1510 CG LEU A 98 9.648 -7.083 1.199 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.346 -7.841 1.457 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.684 -6.621 -0.260 1.00 0.00 C ATOM 0 H LEU A 98 10.423 -4.279 3.930 1.00 0.00 H new ATOM 0 HA LEU A 98 11.844 -6.356 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.247 -6.089 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.181 -5.029 1.683 1.00 0.00 H new ATOM 0 HG LEU A 98 10.497 -7.738 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.293 -8.708 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.317 -8.171 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.498 -7.185 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.631 -7.489 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.836 -5.965 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.612 -6.080 -0.448 1.00 0.00 H new ATOM 1524 N LYS A 99 12.519 -4.936 0.390 1.00 0.00 N ATOM 1525 CA LYS A 99 13.004 -4.026 -0.686 1.00 0.00 C ATOM 1526 C LYS A 99 12.416 -4.448 -2.035 1.00 0.00 C ATOM 1527 O LYS A 99 11.679 -3.711 -2.659 1.00 0.00 O ATOM 1528 CB LYS A 99 14.525 -4.182 -0.685 1.00 0.00 C ATOM 1529 CG LYS A 99 15.162 -2.955 -0.029 1.00 0.00 C ATOM 1530 CD LYS A 99 16.154 -3.405 1.044 1.00 0.00 C ATOM 1531 CE LYS A 99 15.674 -2.927 2.416 1.00 0.00 C ATOM 1532 NZ LYS A 99 16.397 -3.785 3.395 1.00 0.00 N ATOM 0 H LYS A 99 12.911 -5.878 0.373 1.00 0.00 H new ATOM 0 HA LYS A 99 12.705 -2.991 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.808 -5.085 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.891 -4.293 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.672 -2.352 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.391 -2.326 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.245 -4.491 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.144 -3.000 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.904 -1.873 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.594 -3.036 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.121 -3.518 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.154 -4.782 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.422 -3.655 3.280 1.00 0.00 H new ATOM 1546 N VAL A 100 12.733 -5.631 -2.489 1.00 0.00 N ATOM 1547 CA VAL A 100 12.189 -6.099 -3.797 1.00 0.00 C ATOM 1548 C VAL A 100 12.281 -7.625 -3.889 1.00 0.00 C ATOM 1549 O VAL A 100 13.311 -8.176 -4.224 1.00 0.00 O ATOM 1550 CB VAL A 100 13.072 -5.432 -4.853 1.00 0.00 C ATOM 1551 CG1 VAL A 100 12.934 -6.163 -6.191 1.00 0.00 C ATOM 1552 CG2 VAL A 100 12.630 -3.981 -5.033 1.00 0.00 C ATOM 0 H VAL A 100 13.345 -6.293 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 100 11.138 -5.840 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 100 14.111 -5.472 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.566 -5.680 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.242 -7.202 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.895 -6.128 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.256 -3.501 -5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.590 -3.955 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.728 -3.451 -4.086 1.00 0.00 H new ATOM 1562 N GLY A 101 11.210 -8.310 -3.593 1.00 0.00 N ATOM 1563 CA GLY A 101 11.232 -9.798 -3.660 1.00 0.00 C ATOM 1564 C GLY A 101 10.201 -10.367 -2.685 1.00 0.00 C ATOM 1565 O GLY A 101 10.475 -11.286 -1.939 1.00 0.00 O ATOM 0 H GLY A 101 10.320 -7.902 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.011 -10.130 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.226 -10.169 -3.412 1.00 0.00 H new ATOM 1569 N ASP A 102 9.017 -9.824 -2.688 1.00 0.00 N ATOM 1570 CA ASP A 102 7.955 -10.325 -1.765 1.00 0.00 C ATOM 1571 C ASP A 102 6.708 -9.438 -1.863 1.00 0.00 C ATOM 1572 O ASP A 102 5.602 -9.880 -1.624 1.00 0.00 O ATOM 1573 CB ASP A 102 8.569 -10.239 -0.366 1.00 0.00 C ATOM 1574 CG ASP A 102 8.964 -11.641 0.105 1.00 0.00 C ATOM 1575 OD1 ASP A 102 8.201 -12.563 -0.135 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.023 -11.769 0.697 1.00 0.00 O ATOM 0 H ASP A 102 8.735 -9.051 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 102 7.642 -11.340 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.444 -9.589 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.855 -9.798 0.330 1.00 0.00 H new ATOM 1581 N ILE A 103 6.884 -8.192 -2.215 1.00 0.00 N ATOM 1582 CA ILE A 103 5.722 -7.260 -2.340 1.00 0.00 C ATOM 1583 C ILE A 103 5.070 -7.008 -0.978 1.00 0.00 C ATOM 1584 O ILE A 103 3.872 -7.124 -0.827 1.00 0.00 O ATOM 1585 CB ILE A 103 4.736 -7.949 -3.286 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.484 -8.452 -4.526 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.662 -6.945 -3.708 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.481 -8.806 -5.630 1.00 0.00 C ATOM 0 H ILE A 103 7.791 -7.775 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 103 6.035 -6.288 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 103 4.269 -8.794 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.174 -7.687 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.082 -9.327 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.956 -7.429 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.133 -6.586 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.131 -6.103 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.018 -9.163 -6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.809 -9.586 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.902 -7.921 -5.893 1.00 0.00 H new ATOM 1600 N SER A 104 5.854 -6.642 0.002 1.00 0.00 N ATOM 1601 CA SER A 104 5.303 -6.352 1.364 1.00 0.00 C ATOM 1602 C SER A 104 4.134 -7.284 1.714 1.00 0.00 C ATOM 1603 O SER A 104 3.017 -7.077 1.283 1.00 0.00 O ATOM 1604 CB SER A 104 4.826 -4.900 1.289 1.00 0.00 C ATOM 1605 OG SER A 104 3.483 -4.817 1.750 1.00 0.00 O ATOM 0 H SER A 104 6.864 -6.530 -0.082 1.00 0.00 H new ATOM 0 HA SER A 104 6.052 -6.510 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.470 -4.263 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.893 -4.537 0.263 1.00 0.00 H new ATOM 0 HG SER A 104 2.915 -5.407 1.211 1.00 0.00 H new ATOM 1611 N ASP A 105 4.381 -8.293 2.510 1.00 0.00 N ATOM 1612 CA ASP A 105 3.280 -9.225 2.904 1.00 0.00 C ATOM 1613 C ASP A 105 1.992 -8.436 3.156 1.00 0.00 C ATOM 1614 O ASP A 105 1.133 -8.349 2.304 1.00 0.00 O ATOM 1615 CB ASP A 105 3.767 -9.887 4.195 1.00 0.00 C ATOM 1616 CG ASP A 105 5.021 -10.714 3.905 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.028 -11.414 2.906 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.953 -10.635 4.689 1.00 0.00 O ATOM 0 H ASP A 105 5.296 -8.512 2.904 1.00 0.00 H new ATOM 0 HA ASP A 105 3.058 -9.959 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.985 -9.127 4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.985 -10.525 4.606 1.00 0.00 H new ATOM 1623 N ILE A 106 1.865 -7.843 4.311 1.00 0.00 N ATOM 1624 CA ILE A 106 0.644 -7.033 4.615 1.00 0.00 C ATOM 1625 C ILE A 106 1.053 -5.759 5.357 1.00 0.00 C ATOM 1626 O ILE A 106 1.760 -5.805 6.344 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.275 -7.890 5.507 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.500 -9.068 6.139 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.449 -8.411 4.670 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.385 -10.325 5.266 1.00 0.00 C ATOM 0 H ILE A 106 2.554 -7.883 5.062 1.00 0.00 H new ATOM 0 HA ILE A 106 0.126 -6.751 3.699 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.652 -7.270 6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.549 -8.797 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.109 -9.274 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.102 -9.018 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.012 -7.568 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.069 -9.018 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.938 -11.142 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.664 -10.606 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.799 -10.121 4.278 1.00 0.00 H new ATOM 1642 N VAL A 107 0.621 -4.620 4.889 1.00 0.00 N ATOM 1643 CA VAL A 107 0.994 -3.346 5.568 1.00 0.00 C ATOM 1644 C VAL A 107 -0.259 -2.620 6.065 1.00 0.00 C ATOM 1645 O VAL A 107 -0.809 -1.776 5.385 1.00 0.00 O ATOM 1646 CB VAL A 107 1.704 -2.526 4.491 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.305 -1.265 5.117 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.820 -3.369 3.867 1.00 0.00 C ATOM 0 H VAL A 107 0.026 -4.516 4.067 1.00 0.00 H new ATOM 0 HA VAL A 107 1.625 -3.509 6.441 1.00 0.00 H new ATOM 0 HB VAL A 107 0.988 -2.239 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.811 -0.682 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.511 -0.666 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.022 -1.548 5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.329 -2.787 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.535 -3.655 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.392 -4.266 3.419 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.714 -2.940 7.246 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.933 -2.264 7.782 1.00 0.00 C ATOM 1660 C ASP A 108 -1.565 -0.926 8.429 1.00 0.00 C ATOM 1661 O ASP A 108 -0.969 -0.874 9.486 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.521 -3.229 8.815 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.424 -3.707 9.768 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.777 -4.691 9.449 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.249 -3.080 10.800 1.00 0.00 O ATOM 0 H ASP A 108 -0.297 -3.638 7.862 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.651 -2.041 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.313 -2.734 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.974 -4.083 8.311 1.00 0.00 H new ATOM 1670 N THR A 109 -1.927 0.158 7.795 1.00 0.00 N ATOM 1671 CA THR A 109 -1.616 1.503 8.357 1.00 0.00 C ATOM 1672 C THR A 109 -2.805 2.434 8.117 1.00 0.00 C ATOM 1673 O THR A 109 -3.928 1.991 7.972 1.00 0.00 O ATOM 1674 CB THR A 109 -0.390 1.991 7.580 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.727 2.121 6.206 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.758 0.990 7.733 1.00 0.00 C ATOM 0 H THR A 109 -2.428 0.168 6.906 1.00 0.00 H new ATOM 0 HA THR A 109 -1.425 1.477 9.430 1.00 0.00 H new ATOM 0 HB THR A 109 -0.074 2.957 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.055 2.435 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.626 1.344 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.017 0.892 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.449 0.020 7.343 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.575 3.716 8.059 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.706 4.655 7.813 1.00 0.00 C ATOM 1686 C ASP A 110 -4.584 4.116 6.682 1.00 0.00 C ATOM 1687 O ASP A 110 -4.141 3.340 5.860 1.00 0.00 O ATOM 1688 CB ASP A 110 -3.050 5.972 7.397 1.00 0.00 C ATOM 1689 CG ASP A 110 -4.135 7.011 7.105 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -5.263 6.792 7.516 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -3.820 8.007 6.474 1.00 0.00 O ATOM 0 H ASP A 110 -1.660 4.152 8.170 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.342 4.780 8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.393 6.330 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.430 5.819 6.513 1.00 0.00 H new ATOM 1696 N SER A 111 -5.824 4.519 6.628 1.00 0.00 N ATOM 1697 CA SER A 111 -6.724 4.026 5.542 1.00 0.00 C ATOM 1698 C SER A 111 -7.045 2.542 5.739 1.00 0.00 C ATOM 1699 O SER A 111 -8.193 2.152 5.810 1.00 0.00 O ATOM 1700 CB SER A 111 -5.945 4.236 4.244 1.00 0.00 C ATOM 1701 OG SER A 111 -6.688 5.089 3.382 1.00 0.00 O ATOM 0 H SER A 111 -6.254 5.168 7.287 1.00 0.00 H new ATOM 0 HA SER A 111 -7.677 4.556 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.971 4.676 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.762 3.278 3.757 1.00 0.00 H new ATOM 0 HG SER A 111 -6.885 4.618 2.545 1.00 0.00 H new ATOM 1707 N GLY A 112 -6.044 1.712 5.825 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.304 0.256 6.014 1.00 0.00 C ATOM 1709 C GLY A 112 -5.018 -0.537 5.773 1.00 0.00 C ATOM 1710 O GLY A 112 -4.036 -0.374 6.470 1.00 0.00 O ATOM 0 H GLY A 112 -5.060 1.976 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.672 0.071 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.081 -0.076 5.326 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.018 -1.401 4.793 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.796 -2.210 4.509 1.00 0.00 C ATOM 1716 C VAL A 113 -3.213 -1.837 3.146 1.00 0.00 C ATOM 1717 O VAL A 113 -3.893 -1.859 2.139 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.266 -3.666 4.519 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.503 -4.128 5.959 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.573 -3.783 3.738 1.00 0.00 C ATOM 0 H VAL A 113 -5.811 -1.582 4.177 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.010 -2.035 5.243 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.500 -4.290 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.837 -5.165 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.575 -4.047 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.266 -3.501 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.909 -4.820 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.332 -3.153 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.412 -3.460 2.709 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.955 -1.491 3.109 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.323 -1.111 1.816 1.00 0.00 C ATOM 1732 C HIS A 114 -0.290 -2.154 1.395 1.00 0.00 C ATOM 1733 O HIS A 114 -0.028 -3.110 2.096 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.624 0.220 2.090 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.595 1.196 2.688 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.747 2.479 2.188 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.460 1.100 3.748 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.671 3.100 2.942 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.139 2.304 3.908 1.00 0.00 N ATOM 0 H HIS A 114 -1.338 -1.455 3.920 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.059 -1.041 1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.215 0.067 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.215 0.623 1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.594 0.223 4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.995 4.118 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.842 2.530 4.611 1.00 0.00 H new ATOM 1747 N ILE A 115 0.309 -1.955 0.256 1.00 0.00 N ATOM 1748 CA ILE A 115 1.348 -2.903 -0.228 1.00 0.00 C ATOM 1749 C ILE A 115 2.469 -2.107 -0.898 1.00 0.00 C ATOM 1750 O ILE A 115 2.286 -1.522 -1.948 1.00 0.00 O ATOM 1751 CB ILE A 115 0.634 -3.803 -1.236 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.214 -2.943 -2.174 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.268 -4.789 -0.492 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.185 -3.548 -3.578 1.00 0.00 C ATOM 0 H ILE A 115 0.121 -1.169 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 115 1.796 -3.492 0.572 1.00 0.00 H new ATOM 0 HB ILE A 115 1.373 -4.356 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.240 -2.890 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.169 -1.923 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.777 -5.431 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.336 -5.402 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.007 -4.238 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.789 -2.938 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.843 -3.578 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.588 -4.560 -3.546 1.00 0.00 H new ATOM 1766 N ILE A 116 3.619 -2.056 -0.285 1.00 0.00 N ATOM 1767 CA ILE A 116 4.746 -1.275 -0.870 1.00 0.00 C ATOM 1768 C ILE A 116 5.480 -2.090 -1.937 1.00 0.00 C ATOM 1769 O ILE A 116 5.351 -3.296 -2.017 1.00 0.00 O ATOM 1770 CB ILE A 116 5.667 -0.981 0.317 1.00 0.00 C ATOM 1771 CG1 ILE A 116 5.107 0.196 1.116 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.071 -0.628 -0.181 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.518 -0.313 2.432 1.00 0.00 C ATOM 0 H ILE A 116 3.828 -2.522 0.598 1.00 0.00 H new ATOM 0 HA ILE A 116 4.404 -0.366 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 116 5.723 -1.867 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.896 0.922 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.340 0.710 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.718 -0.421 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.477 -1.465 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.019 0.253 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.119 0.527 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.717 -1.022 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.297 -0.807 3.012 1.00 0.00 H new ATOM 1785 N LYS A 117 6.258 -1.431 -2.752 1.00 0.00 N ATOM 1786 CA LYS A 117 7.020 -2.145 -3.814 1.00 0.00 C ATOM 1787 C LYS A 117 7.910 -1.152 -4.567 1.00 0.00 C ATOM 1788 O LYS A 117 7.441 -0.171 -5.108 1.00 0.00 O ATOM 1789 CB LYS A 117 5.963 -2.731 -4.752 1.00 0.00 C ATOM 1790 CG LYS A 117 6.648 -3.246 -6.021 1.00 0.00 C ATOM 1791 CD LYS A 117 5.603 -3.840 -6.966 1.00 0.00 C ATOM 1792 CE LYS A 117 5.660 -5.368 -6.898 1.00 0.00 C ATOM 1793 NZ LYS A 117 6.138 -5.796 -8.244 1.00 0.00 N ATOM 0 H LYS A 117 6.399 -0.421 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 117 7.667 -2.921 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.430 -3.543 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.223 -1.972 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.178 -2.432 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.391 -4.001 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.608 -3.490 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.788 -3.504 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.338 -5.703 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.680 -5.790 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.658 -6.692 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.323 -5.928 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.767 -5.067 -8.637 1.00 0.00 H new ATOM 1807 N ARG A 118 9.191 -1.395 -4.602 1.00 0.00 N ATOM 1808 CA ARG A 118 10.104 -0.459 -5.320 1.00 0.00 C ATOM 1809 C ARG A 118 10.352 -0.957 -6.747 1.00 0.00 C ATOM 1810 O ARG A 118 9.676 -0.567 -7.677 1.00 0.00 O ATOM 1811 CB ARG A 118 11.403 -0.470 -4.512 1.00 0.00 C ATOM 1812 CG ARG A 118 12.453 0.385 -5.226 1.00 0.00 C ATOM 1813 CD ARG A 118 13.709 0.485 -4.358 1.00 0.00 C ATOM 1814 NE ARG A 118 14.717 1.163 -5.221 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.160 0.572 -6.298 1.00 0.00 C ATOM 1816 NH1 ARG A 118 16.048 -0.380 -6.202 1.00 0.00 N ATOM 1817 NH2 ARG A 118 14.713 0.930 -7.471 1.00 0.00 N ATOM 0 H ARG A 118 9.645 -2.198 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 118 9.687 0.545 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.224 -0.083 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.765 -1.492 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.700 -0.056 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.054 1.380 -5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.517 1.057 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.054 -0.501 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 118 15.061 2.090 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 118 16.396 -0.662 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.394 -0.842 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.017 1.672 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 118 15.060 0.468 -8.312 1.00 0.00 H new ATOM 1831 N THR A 119 11.315 -1.818 -6.923 1.00 0.00 N ATOM 1832 CA THR A 119 11.608 -2.346 -8.286 1.00 0.00 C ATOM 1833 C THR A 119 10.793 -3.615 -8.541 1.00 0.00 C ATOM 1834 O THR A 119 10.327 -3.855 -9.637 1.00 0.00 O ATOM 1835 CB THR A 119 13.107 -2.654 -8.285 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.714 -2.054 -7.149 1.00 0.00 O ATOM 1837 CG2 THR A 119 13.743 -2.094 -9.559 1.00 0.00 C ATOM 0 H THR A 119 11.913 -2.180 -6.181 1.00 0.00 H new ATOM 0 HA THR A 119 11.346 -1.636 -9.071 1.00 0.00 H new ATOM 0 HB THR A 119 13.256 -3.733 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.584 -2.473 -6.983 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.811 -2.313 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.278 -2.555 -10.431 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.594 -1.015 -9.596 1.00 0.00 H new ATOM 1845 N ALA A 120 10.611 -4.425 -7.536 1.00 0.00 N ATOM 1846 CA ALA A 120 9.819 -5.671 -7.726 1.00 0.00 C ATOM 1847 C ALA A 120 9.663 -6.416 -6.397 1.00 0.00 C ATOM 1848 O ALA A 120 9.605 -5.755 -5.373 1.00 0.00 O ATOM 1849 CB ALA A 120 10.622 -6.506 -8.724 1.00 0.00 C ATOM 1850 OXT ALA A 120 9.602 -7.634 -6.428 1.00 0.00 O ATOM 0 H ALA A 120 10.975 -4.279 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 120 8.812 -5.465 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.101 -7.444 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.730 -5.953 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.609 -6.717 -8.311 1.00 0.00 H new TER 1856 ALA A 120