USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 32 TYR OH : rot 180:sc= 0.0546 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 176:sc= 0.0556 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot -73:sc= 0.157! USER MOD Set 2.2: A 13 HIS : no HE2:sc= 0.203 K(o=0.36,f=-9.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.299 (180deg=-1.82!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= -0.0668 (180deg=-0.651) USER MOD Single : A 14 ASN : amide:sc= -1.93 K(o=-1.9,f=-7.2!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -8.81! C(o=-10!,f=-8.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.877! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -103:sc= 0.22 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -123:sc= 0.44 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0799 K(o=-0.08,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot 160:sc= 0.00394 USER MOD Single : A 69 THR OG1 : rot -47:sc= 0.0524! USER MOD Single : A 76 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.15) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.918 11.383 -8.213 1.00 0.00 N ATOM 2 CA MET A 1 -9.486 9.976 -8.464 1.00 0.00 C ATOM 3 C MET A 1 -8.611 9.478 -7.310 1.00 0.00 C ATOM 4 O MET A 1 -7.991 10.253 -6.609 1.00 0.00 O ATOM 5 CB MET A 1 -8.682 10.020 -9.768 1.00 0.00 C ATOM 6 CG MET A 1 -7.440 10.898 -9.586 1.00 0.00 C ATOM 7 SD MET A 1 -6.932 11.563 -11.191 1.00 0.00 S ATOM 8 CE MET A 1 -7.734 13.177 -11.028 1.00 0.00 C ATOM 0 H1 MET A 1 -9.866 11.925 -9.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.897 11.388 -7.861 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.293 11.817 -7.504 1.00 0.00 H new ATOM 0 HA MET A 1 -10.335 9.296 -8.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.386 9.012 -10.057 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.301 10.414 -10.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.655 11.712 -8.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.630 10.314 -9.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.548 13.768 -11.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.808 13.039 -10.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.330 13.698 -10.160 1.00 0.00 H new ATOM 20 N VAL A 2 -8.556 8.190 -7.109 1.00 0.00 N ATOM 21 CA VAL A 2 -7.720 7.641 -6.002 1.00 0.00 C ATOM 22 C VAL A 2 -6.650 6.705 -6.573 1.00 0.00 C ATOM 23 O VAL A 2 -6.925 5.873 -7.414 1.00 0.00 O ATOM 24 CB VAL A 2 -8.692 6.867 -5.108 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.963 6.394 -3.849 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.856 7.777 -4.706 1.00 0.00 C ATOM 0 H VAL A 2 -9.054 7.493 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.201 8.423 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.075 6.005 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.656 5.843 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.134 5.745 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.579 7.257 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.547 7.224 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.472 8.640 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.379 8.116 -5.600 1.00 0.00 H new ATOM 36 N LYS A 3 -5.428 6.841 -6.132 1.00 0.00 N ATOM 37 CA LYS A 3 -4.345 5.960 -6.659 1.00 0.00 C ATOM 38 C LYS A 3 -3.399 5.536 -5.534 1.00 0.00 C ATOM 39 O LYS A 3 -3.104 6.302 -4.639 1.00 0.00 O ATOM 40 CB LYS A 3 -3.593 6.824 -7.671 1.00 0.00 C ATOM 41 CG LYS A 3 -4.348 6.843 -8.999 1.00 0.00 C ATOM 42 CD LYS A 3 -3.392 7.267 -10.116 1.00 0.00 C ATOM 43 CE LYS A 3 -2.349 6.169 -10.339 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.636 6.565 -11.585 1.00 0.00 N ATOM 0 H LYS A 3 -5.133 7.522 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.744 5.048 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.487 7.839 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.587 6.433 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.759 5.856 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.189 7.534 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.948 7.448 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.900 8.203 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.662 6.100 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.821 5.192 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.904 5.860 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.314 6.616 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.192 7.495 -11.450 1.00 0.00 H new ATOM 58 N ILE A 4 -2.907 4.327 -5.578 1.00 0.00 N ATOM 59 CA ILE A 4 -1.968 3.877 -4.519 1.00 0.00 C ATOM 60 C ILE A 4 -0.558 3.745 -5.108 1.00 0.00 C ATOM 61 O ILE A 4 -0.371 3.201 -6.176 1.00 0.00 O ATOM 62 CB ILE A 4 -2.511 2.540 -4.027 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.865 2.767 -3.355 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.534 1.931 -3.022 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.651 1.460 -3.358 1.00 0.00 C ATOM 0 H ILE A 4 -3.115 3.637 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.894 4.582 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.630 1.858 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.723 3.118 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.421 3.541 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.922 0.975 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.568 1.776 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.414 2.607 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.618 1.616 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.803 1.129 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.094 0.699 -2.811 1.00 0.00 H new ATOM 77 N ARG A 5 0.437 4.260 -4.437 1.00 0.00 N ATOM 78 CA ARG A 5 1.821 4.179 -4.982 1.00 0.00 C ATOM 79 C ARG A 5 2.847 4.166 -3.850 1.00 0.00 C ATOM 80 O ARG A 5 2.506 3.993 -2.703 1.00 0.00 O ATOM 81 CB ARG A 5 1.981 5.431 -5.844 1.00 0.00 C ATOM 82 CG ARG A 5 1.729 6.675 -4.990 1.00 0.00 C ATOM 83 CD ARG A 5 2.487 7.862 -5.586 1.00 0.00 C ATOM 84 NE ARG A 5 1.930 8.020 -6.961 1.00 0.00 N ATOM 85 CZ ARG A 5 2.310 9.012 -7.732 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.185 9.892 -7.314 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.810 9.120 -8.932 1.00 0.00 N ATOM 0 H ARG A 5 0.351 4.732 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 5 1.982 3.266 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.984 5.466 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.281 5.402 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.662 6.893 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.055 6.498 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.338 8.764 -4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.560 7.672 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 5 1.245 7.348 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.581 9.812 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.470 10.657 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.129 8.437 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.100 9.888 -9.538 1.00 0.00 H new ATOM 101 N LEU A 6 4.103 4.363 -4.161 1.00 0.00 N ATOM 102 CA LEU A 6 5.140 4.357 -3.086 1.00 0.00 C ATOM 103 C LEU A 6 5.316 5.757 -2.495 1.00 0.00 C ATOM 104 O LEU A 6 5.531 6.718 -3.206 1.00 0.00 O ATOM 105 CB LEU A 6 6.441 3.940 -3.772 1.00 0.00 C ATOM 106 CG LEU A 6 6.437 2.440 -4.054 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.735 2.054 -4.766 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.329 1.665 -2.737 1.00 0.00 C ATOM 0 H LEU A 6 4.453 4.526 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 6 4.858 3.686 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.561 4.491 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.291 4.195 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 6 5.584 2.195 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.734 0.983 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.811 2.601 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.586 2.303 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.327 0.595 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.179 1.910 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.404 1.938 -2.229 1.00 0.00 H new ATOM 120 N ALA A 7 5.233 5.878 -1.199 1.00 0.00 N ATOM 121 CA ALA A 7 5.400 7.216 -0.570 1.00 0.00 C ATOM 122 C ALA A 7 6.786 7.355 0.055 1.00 0.00 C ATOM 123 O ALA A 7 7.072 6.775 1.082 1.00 0.00 O ATOM 124 CB ALA A 7 4.339 7.262 0.517 1.00 0.00 C ATOM 0 H ALA A 7 5.057 5.110 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 7 5.299 8.022 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.390 8.220 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.353 7.145 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.512 6.455 1.229 1.00 0.00 H new ATOM 130 N ARG A 8 7.647 8.127 -0.545 1.00 0.00 N ATOM 131 CA ARG A 8 9.004 8.298 0.033 1.00 0.00 C ATOM 132 C ARG A 8 8.906 8.954 1.410 1.00 0.00 C ATOM 133 O ARG A 8 8.343 10.018 1.569 1.00 0.00 O ATOM 134 CB ARG A 8 9.753 9.203 -0.946 1.00 0.00 C ATOM 135 CG ARG A 8 11.160 9.476 -0.412 1.00 0.00 C ATOM 136 CD ARG A 8 12.135 9.603 -1.584 1.00 0.00 C ATOM 137 NE ARG A 8 13.396 8.967 -1.105 1.00 0.00 N ATOM 138 CZ ARG A 8 14.376 8.705 -1.938 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.272 8.989 -3.212 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.471 8.152 -1.491 1.00 0.00 N ATOM 0 H ARG A 8 7.470 8.644 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 8 9.517 7.346 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.810 8.729 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.213 10.141 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.165 10.392 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.473 8.668 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.752 9.101 -2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.296 10.647 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 8 13.498 8.733 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.420 9.420 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.043 8.779 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.561 7.926 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.237 7.946 -2.132 1.00 0.00 H new ATOM 154 N PHE A 9 9.449 8.316 2.405 1.00 0.00 N ATOM 155 CA PHE A 9 9.395 8.879 3.782 1.00 0.00 C ATOM 156 C PHE A 9 10.709 9.582 4.128 1.00 0.00 C ATOM 157 O PHE A 9 10.795 10.793 4.175 1.00 0.00 O ATOM 158 CB PHE A 9 9.253 7.668 4.689 1.00 0.00 C ATOM 159 CG PHE A 9 7.858 7.117 4.678 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.809 7.830 5.265 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.629 5.852 4.131 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.529 7.276 5.293 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.360 5.298 4.172 1.00 0.00 C ATOM 164 CZ PHE A 9 5.312 6.008 4.752 1.00 0.00 C ATOM 0 H PHE A 9 9.932 7.421 2.324 1.00 0.00 H new ATOM 0 HA PHE A 9 8.585 9.602 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.951 6.893 4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.525 7.944 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.988 8.805 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.442 5.306 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.709 7.826 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.184 4.317 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.324 5.574 4.783 1.00 0.00 H new ATOM 174 N GLY A 10 11.730 8.807 4.400 1.00 0.00 N ATOM 175 CA GLY A 10 13.041 9.382 4.777 1.00 0.00 C ATOM 176 C GLY A 10 13.699 10.039 3.562 1.00 0.00 C ATOM 177 O GLY A 10 13.821 9.442 2.511 1.00 0.00 O ATOM 0 H GLY A 10 11.702 7.788 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.909 10.118 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.689 8.600 5.172 1.00 0.00 H new ATOM 181 N SER A 11 14.132 11.263 3.700 1.00 0.00 N ATOM 182 CA SER A 11 14.791 11.953 2.553 1.00 0.00 C ATOM 183 C SER A 11 16.083 11.223 2.179 1.00 0.00 C ATOM 184 O SER A 11 16.280 10.820 1.049 1.00 0.00 O ATOM 185 CB SER A 11 15.105 13.361 3.064 1.00 0.00 C ATOM 186 OG SER A 11 16.200 13.303 3.964 1.00 0.00 O ATOM 0 H SER A 11 14.058 11.814 4.555 1.00 0.00 H new ATOM 0 HA SER A 11 14.161 11.973 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.342 14.019 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.232 13.782 3.563 1.00 0.00 H new ATOM 0 HG SER A 11 15.907 12.905 4.810 1.00 0.00 H new ATOM 192 N LYS A 12 16.965 11.054 3.124 1.00 0.00 N ATOM 193 CA LYS A 12 18.253 10.356 2.841 1.00 0.00 C ATOM 194 C LYS A 12 18.701 9.605 4.093 1.00 0.00 C ATOM 195 O LYS A 12 19.830 9.712 4.527 1.00 0.00 O ATOM 196 CB LYS A 12 19.253 11.467 2.506 1.00 0.00 C ATOM 197 CG LYS A 12 18.648 12.424 1.474 1.00 0.00 C ATOM 198 CD LYS A 12 19.750 13.309 0.891 1.00 0.00 C ATOM 199 CE LYS A 12 19.630 14.720 1.472 1.00 0.00 C ATOM 200 NZ LYS A 12 18.399 15.286 0.854 1.00 0.00 N ATOM 0 H LYS A 12 16.849 11.371 4.087 1.00 0.00 H new ATOM 0 HA LYS A 12 18.168 9.635 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.517 12.015 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.174 11.033 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.162 11.858 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.880 13.041 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.729 12.890 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.668 13.343 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.550 14.694 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.506 15.322 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.566 16.279 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.157 14.742 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.613 15.233 1.533 1.00 0.00 H new ATOM 214 N HIS A 13 17.810 8.867 4.691 1.00 0.00 N ATOM 215 CA HIS A 13 18.167 8.129 5.940 1.00 0.00 C ATOM 216 C HIS A 13 17.879 6.637 5.755 1.00 0.00 C ATOM 217 O HIS A 13 18.774 5.815 5.746 1.00 0.00 O ATOM 218 CB HIS A 13 17.271 8.720 7.046 1.00 0.00 C ATOM 219 CG HIS A 13 17.020 10.185 6.788 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.016 11.138 6.912 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.907 10.863 6.357 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.489 12.323 6.559 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.204 12.212 6.217 1.00 0.00 N ATOM 0 H HIS A 13 16.850 8.741 4.372 1.00 0.00 H new ATOM 0 HA HIS A 13 19.223 8.231 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.323 8.182 7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.748 8.591 8.018 1.00 0.00 H new ATOM 0 HD1 HIS A 13 18.975 10.971 7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.945 10.415 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.039 13.252 6.553 1.00 0.00 H new ATOM 231 N ASN A 14 16.631 6.287 5.592 1.00 0.00 N ATOM 232 CA ASN A 14 16.269 4.855 5.391 1.00 0.00 C ATOM 233 C ASN A 14 15.435 4.716 4.108 1.00 0.00 C ATOM 234 O ASN A 14 14.423 5.373 3.963 1.00 0.00 O ATOM 235 CB ASN A 14 15.436 4.479 6.620 1.00 0.00 C ATOM 236 CG ASN A 14 15.321 2.955 6.714 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.075 2.236 6.090 1.00 0.00 O ATOM 238 ND2 ASN A 14 14.399 2.429 7.475 1.00 0.00 N ATOM 0 H ASN A 14 15.843 6.935 5.590 1.00 0.00 H new ATOM 0 HA ASN A 14 17.141 4.210 5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.901 4.875 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.444 4.925 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.313 1.415 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.765 3.032 7.999 1.00 0.00 H new ATOM 245 N PRO A 15 15.886 3.877 3.205 1.00 0.00 N ATOM 246 CA PRO A 15 15.159 3.686 1.924 1.00 0.00 C ATOM 247 C PRO A 15 13.888 2.851 2.121 1.00 0.00 C ATOM 248 O PRO A 15 13.946 1.650 2.298 1.00 0.00 O ATOM 249 CB PRO A 15 16.163 2.935 1.053 1.00 0.00 C ATOM 250 CG PRO A 15 17.065 2.230 2.016 1.00 0.00 C ATOM 251 CD PRO A 15 17.094 3.044 3.282 1.00 0.00 C ATOM 0 HA PRO A 15 14.829 4.629 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.661 2.227 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.724 3.620 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.701 1.222 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.068 2.130 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.082 2.406 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.995 3.654 3.342 1.00 0.00 H new ATOM 259 N HIS A 16 12.737 3.474 2.072 1.00 0.00 N ATOM 260 CA HIS A 16 11.463 2.708 2.232 1.00 0.00 C ATOM 261 C HIS A 16 10.259 3.600 1.938 1.00 0.00 C ATOM 262 O HIS A 16 10.106 4.661 2.504 1.00 0.00 O ATOM 263 CB HIS A 16 11.422 2.241 3.691 1.00 0.00 C ATOM 264 CG HIS A 16 11.466 3.431 4.611 1.00 0.00 C ATOM 265 ND1 HIS A 16 12.517 4.027 5.259 1.00 0.00 N flip ATOM 266 CD2 HIS A 16 10.335 4.176 4.947 1.00 0.00 C flip ATOM 267 CE1 HIS A 16 12.068 5.122 5.982 1.00 0.00 C flip ATOM 268 NE2 HIS A 16 10.753 5.175 5.763 1.00 0.00 N flip ATOM 0 H HIS A 16 12.625 4.478 1.928 1.00 0.00 H new ATOM 0 HA HIS A 16 11.424 1.867 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.515 1.664 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.266 1.581 3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 16 9.322 3.992 4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.658 5.790 6.593 1.00 0.00 H new ATOM 0 HE2 HIS A 16 10.136 5.882 6.162 1.00 0.00 H new ATOM 276 N TYR A 17 9.398 3.167 1.065 1.00 0.00 N ATOM 277 CA TYR A 17 8.190 3.960 0.746 1.00 0.00 C ATOM 278 C TYR A 17 6.965 3.198 1.216 1.00 0.00 C ATOM 279 O TYR A 17 6.999 1.990 1.357 1.00 0.00 O ATOM 280 CB TYR A 17 8.122 4.021 -0.773 1.00 0.00 C ATOM 281 CG TYR A 17 9.427 4.456 -1.383 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.326 5.240 -0.662 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.716 4.084 -2.697 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.515 5.656 -1.254 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.903 4.493 -3.293 1.00 0.00 C ATOM 286 CZ TYR A 17 11.810 5.284 -2.573 1.00 0.00 C ATOM 287 OH TYR A 17 12.990 5.693 -3.161 1.00 0.00 O ATOM 0 H TYR A 17 9.483 2.288 0.555 1.00 0.00 H new ATOM 0 HA TYR A 17 8.225 4.945 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.850 3.040 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.334 4.713 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.100 5.524 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.016 3.477 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.211 6.266 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.127 4.202 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 17 13.037 5.347 -4.077 1.00 0.00 H new ATOM 297 N ARG A 18 5.865 3.862 1.397 1.00 0.00 N ATOM 298 CA ARG A 18 4.646 3.125 1.778 1.00 0.00 C ATOM 299 C ARG A 18 3.814 2.941 0.527 1.00 0.00 C ATOM 300 O ARG A 18 3.888 3.731 -0.395 1.00 0.00 O ATOM 301 CB ARG A 18 3.892 4.008 2.766 1.00 0.00 C ATOM 302 CG ARG A 18 3.833 3.318 4.131 1.00 0.00 C ATOM 303 CD ARG A 18 2.509 3.666 4.816 1.00 0.00 C ATOM 304 NE ARG A 18 2.897 4.300 6.111 1.00 0.00 N ATOM 305 CZ ARG A 18 3.291 3.569 7.128 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.358 2.264 7.036 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.620 4.152 8.247 1.00 0.00 N ATOM 0 H ARG A 18 5.760 4.872 1.298 1.00 0.00 H new ATOM 0 HA ARG A 18 4.867 2.154 2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.388 4.974 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.883 4.200 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.920 2.238 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.671 3.638 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.916 4.347 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.903 2.775 4.979 1.00 0.00 H new ATOM 0 HE ARG A 18 2.855 5.315 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.102 1.800 6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.666 1.711 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.570 5.168 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.927 3.592 9.043 1.00 0.00 H new ATOM 321 N ILE A 19 2.976 1.965 0.504 1.00 0.00 N ATOM 322 CA ILE A 19 2.094 1.800 -0.660 1.00 0.00 C ATOM 323 C ILE A 19 0.815 2.442 -0.176 1.00 0.00 C ATOM 324 O ILE A 19 -0.110 1.801 0.284 1.00 0.00 O ATOM 325 CB ILE A 19 1.943 0.297 -0.934 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.142 -0.505 -0.393 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.871 0.071 -2.444 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.956 -1.990 -0.711 1.00 0.00 C ATOM 0 H ILE A 19 2.862 1.271 1.243 1.00 0.00 H new ATOM 0 HA ILE A 19 2.439 2.242 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 19 1.036 -0.042 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.067 -0.141 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.231 -0.362 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.764 -0.994 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.014 0.607 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.784 0.439 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.806 -2.554 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.040 -2.350 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.889 -2.125 -1.790 1.00 0.00 H new ATOM 340 N VAL A 20 0.847 3.742 -0.162 1.00 0.00 N ATOM 341 CA VAL A 20 -0.255 4.529 0.417 1.00 0.00 C ATOM 342 C VAL A 20 -1.232 5.014 -0.654 1.00 0.00 C ATOM 343 O VAL A 20 -0.973 4.937 -1.837 1.00 0.00 O ATOM 344 CB VAL A 20 0.512 5.672 1.128 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.535 6.963 0.302 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.121 5.947 2.483 1.00 0.00 C ATOM 0 H VAL A 20 1.614 4.299 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.901 3.972 1.096 1.00 0.00 H new ATOM 0 HB VAL A 20 1.544 5.343 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.084 7.732 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.023 6.775 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.486 7.301 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.420 6.751 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.162 6.241 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.076 5.046 3.095 1.00 0.00 H new ATOM 356 N VAL A 21 -2.380 5.459 -0.228 1.00 0.00 N ATOM 357 CA VAL A 21 -3.429 5.892 -1.187 1.00 0.00 C ATOM 358 C VAL A 21 -3.570 7.414 -1.210 1.00 0.00 C ATOM 359 O VAL A 21 -4.009 8.024 -0.257 1.00 0.00 O ATOM 360 CB VAL A 21 -4.740 5.257 -0.681 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.561 4.799 -1.876 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.477 4.042 0.215 1.00 0.00 C ATOM 0 H VAL A 21 -2.638 5.542 0.755 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.179 5.582 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.271 6.009 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.490 4.348 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.788 5.655 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.993 4.064 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.427 3.625 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.927 3.287 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.890 4.349 1.081 1.00 0.00 H new ATOM 372 N THR A 22 -3.226 8.027 -2.305 1.00 0.00 N ATOM 373 CA THR A 22 -3.359 9.507 -2.405 1.00 0.00 C ATOM 374 C THR A 22 -3.937 9.881 -3.772 1.00 0.00 C ATOM 375 O THR A 22 -4.384 9.034 -4.519 1.00 0.00 O ATOM 376 CB THR A 22 -1.941 10.063 -2.249 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.942 11.448 -2.564 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.980 9.330 -3.189 1.00 0.00 C ATOM 0 H THR A 22 -2.858 7.567 -3.138 1.00 0.00 H new ATOM 0 HA THR A 22 -4.028 9.912 -1.646 1.00 0.00 H new ATOM 0 HB THR A 22 -1.613 9.917 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.324 11.953 -1.816 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.025 9.734 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.975 8.267 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.305 9.466 -4.220 1.00 0.00 H new ATOM 386 N ASP A 23 -3.931 11.139 -4.105 1.00 0.00 N ATOM 387 CA ASP A 23 -4.481 11.558 -5.427 1.00 0.00 C ATOM 388 C ASP A 23 -3.581 12.619 -6.065 1.00 0.00 C ATOM 389 O ASP A 23 -2.675 13.135 -5.441 1.00 0.00 O ATOM 390 CB ASP A 23 -5.868 12.133 -5.121 1.00 0.00 C ATOM 391 CG ASP A 23 -5.755 13.218 -4.048 1.00 0.00 C ATOM 392 OD1 ASP A 23 -4.735 13.887 -4.013 1.00 0.00 O ATOM 393 OD2 ASP A 23 -6.690 13.360 -3.277 1.00 0.00 O ATOM 0 H ASP A 23 -3.571 11.895 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.535 10.728 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.307 12.550 -6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.533 11.340 -4.780 1.00 0.00 H new ATOM 398 N ALA A 24 -3.821 12.943 -7.306 1.00 0.00 N ATOM 399 CA ALA A 24 -2.977 13.966 -7.987 1.00 0.00 C ATOM 400 C ALA A 24 -3.651 15.337 -7.918 1.00 0.00 C ATOM 401 O ALA A 24 -3.471 16.173 -8.780 1.00 0.00 O ATOM 402 CB ALA A 24 -2.878 13.493 -9.439 1.00 0.00 C ATOM 0 H ALA A 24 -4.565 12.544 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.997 14.069 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.270 14.195 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.417 12.506 -9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.876 13.441 -9.874 1.00 0.00 H new ATOM 408 N ARG A 25 -4.429 15.573 -6.898 1.00 0.00 N ATOM 409 CA ARG A 25 -5.117 16.889 -6.777 1.00 0.00 C ATOM 410 C ARG A 25 -4.103 18.034 -6.847 1.00 0.00 C ATOM 411 O ARG A 25 -4.300 19.005 -7.549 1.00 0.00 O ATOM 412 CB ARG A 25 -5.797 16.862 -5.408 1.00 0.00 C ATOM 413 CG ARG A 25 -7.293 17.132 -5.577 1.00 0.00 C ATOM 414 CD ARG A 25 -7.866 17.676 -4.266 1.00 0.00 C ATOM 415 NE ARG A 25 -8.686 16.559 -3.715 1.00 0.00 N ATOM 416 CZ ARG A 25 -9.197 16.631 -2.508 1.00 0.00 C ATOM 417 NH1 ARG A 25 -9.013 17.690 -1.759 1.00 0.00 N ATOM 418 NH2 ARG A 25 -9.901 15.631 -2.051 1.00 0.00 N ATOM 0 H ARG A 25 -4.618 14.913 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.831 17.050 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.643 15.893 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.353 17.613 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.455 17.849 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.809 16.214 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.072 17.961 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.473 18.565 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.852 15.728 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.466 18.475 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.417 17.729 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.049 14.805 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.303 15.676 -1.115 1.00 0.00 H new ATOM 432 N ARG A 26 -3.022 17.933 -6.121 1.00 0.00 N ATOM 433 CA ARG A 26 -2.006 19.024 -6.149 1.00 0.00 C ATOM 434 C ARG A 26 -0.663 18.499 -6.662 1.00 0.00 C ATOM 435 O ARG A 26 -0.539 17.358 -7.062 1.00 0.00 O ATOM 436 CB ARG A 26 -1.880 19.486 -4.697 1.00 0.00 C ATOM 437 CG ARG A 26 -2.216 20.975 -4.608 1.00 0.00 C ATOM 438 CD ARG A 26 -3.680 21.142 -4.199 1.00 0.00 C ATOM 439 NE ARG A 26 -3.752 22.494 -3.572 1.00 0.00 N ATOM 440 CZ ARG A 26 -4.897 22.977 -3.146 1.00 0.00 C ATOM 441 NH1 ARG A 26 -6.003 22.287 -3.262 1.00 0.00 N ATOM 442 NH2 ARG A 26 -4.931 24.161 -2.601 1.00 0.00 N ATOM 0 H ARG A 26 -2.799 17.146 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.299 19.836 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.553 18.911 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.868 19.308 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.566 21.463 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.038 21.457 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.342 21.071 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.986 20.365 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.902 23.050 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.984 21.360 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.884 22.676 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.073 24.705 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.816 24.544 -2.268 1.00 0.00 H new ATOM 456 N LYS A 27 0.344 19.328 -6.650 1.00 0.00 N ATOM 457 CA LYS A 27 1.684 18.891 -7.135 1.00 0.00 C ATOM 458 C LYS A 27 2.121 17.615 -6.409 1.00 0.00 C ATOM 459 O LYS A 27 1.541 17.224 -5.415 1.00 0.00 O ATOM 460 CB LYS A 27 2.618 20.053 -6.799 1.00 0.00 C ATOM 461 CG LYS A 27 3.849 19.993 -7.701 1.00 0.00 C ATOM 462 CD LYS A 27 5.060 19.545 -6.882 1.00 0.00 C ATOM 463 CE LYS A 27 6.169 19.078 -7.825 1.00 0.00 C ATOM 464 NZ LYS A 27 7.430 19.579 -7.213 1.00 0.00 N ATOM 0 H LYS A 27 0.296 20.293 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 27 1.687 18.661 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.099 21.002 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.918 20.002 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.676 19.299 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.037 20.971 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.417 20.367 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.777 18.737 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.179 17.992 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.030 19.481 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.238 19.298 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.395 20.616 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.539 19.174 -6.262 1.00 0.00 H new ATOM 478 N ARG A 28 3.142 16.963 -6.899 1.00 0.00 N ATOM 479 CA ARG A 28 3.616 15.712 -6.239 1.00 0.00 C ATOM 480 C ARG A 28 3.933 15.975 -4.764 1.00 0.00 C ATOM 481 O ARG A 28 4.728 16.831 -4.433 1.00 0.00 O ATOM 482 CB ARG A 28 4.885 15.320 -6.999 1.00 0.00 C ATOM 483 CG ARG A 28 4.535 14.307 -8.091 1.00 0.00 C ATOM 484 CD ARG A 28 5.384 14.584 -9.335 1.00 0.00 C ATOM 485 NE ARG A 28 6.268 13.389 -9.472 1.00 0.00 N ATOM 486 CZ ARG A 28 7.085 13.271 -10.492 1.00 0.00 C ATOM 487 NH1 ARG A 28 7.150 14.199 -11.416 1.00 0.00 N ATOM 488 NH2 ARG A 28 7.845 12.215 -10.588 1.00 0.00 N ATOM 0 H ARG A 28 3.668 17.243 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 28 2.864 14.923 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.344 16.204 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.615 14.892 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.715 13.293 -7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.476 14.374 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.759 14.716 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.969 15.497 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 28 6.237 12.655 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.560 15.028 -11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.791 14.092 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.801 11.489 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.483 12.116 -11.378 1.00 0.00 H new ATOM 502 N ASP A 29 3.315 15.243 -3.876 1.00 0.00 N ATOM 503 CA ASP A 29 3.580 15.449 -2.423 1.00 0.00 C ATOM 504 C ASP A 29 3.312 14.154 -1.652 1.00 0.00 C ATOM 505 O ASP A 29 3.033 13.122 -2.231 1.00 0.00 O ATOM 506 CB ASP A 29 2.604 16.545 -1.993 1.00 0.00 C ATOM 507 CG ASP A 29 3.365 17.648 -1.255 1.00 0.00 C ATOM 508 OD1 ASP A 29 3.708 17.435 -0.104 1.00 0.00 O ATOM 509 OD2 ASP A 29 3.593 18.687 -1.854 1.00 0.00 O ATOM 0 H ASP A 29 2.638 14.512 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 29 4.615 15.728 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.099 16.959 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.833 16.126 -1.347 1.00 0.00 H new ATOM 514 N GLY A 30 3.397 14.198 -0.350 1.00 0.00 N ATOM 515 CA GLY A 30 3.147 12.968 0.453 1.00 0.00 C ATOM 516 C GLY A 30 1.799 13.086 1.165 1.00 0.00 C ATOM 517 O GLY A 30 1.666 12.751 2.326 1.00 0.00 O ATOM 0 H GLY A 30 3.628 15.031 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.152 12.091 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.945 12.830 1.183 1.00 0.00 H new ATOM 521 N LYS A 31 0.797 13.563 0.480 1.00 0.00 N ATOM 522 CA LYS A 31 -0.543 13.705 1.119 1.00 0.00 C ATOM 523 C LYS A 31 -1.478 12.588 0.648 1.00 0.00 C ATOM 524 O LYS A 31 -1.996 12.621 -0.449 1.00 0.00 O ATOM 525 CB LYS A 31 -1.057 15.068 0.654 1.00 0.00 C ATOM 526 CG LYS A 31 -1.573 15.855 1.859 1.00 0.00 C ATOM 527 CD LYS A 31 -2.898 15.252 2.334 1.00 0.00 C ATOM 528 CE LYS A 31 -3.033 15.442 3.846 1.00 0.00 C ATOM 529 NZ LYS A 31 -4.251 14.671 4.220 1.00 0.00 N ATOM 0 H LYS A 31 0.847 13.861 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.492 13.636 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.258 15.621 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.854 14.938 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.840 15.829 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.713 16.902 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.732 15.731 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.937 14.191 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.153 15.071 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.137 16.496 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.412 14.752 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.073 15.052 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.120 13.671 3.968 1.00 0.00 H new ATOM 543 N TYR A 32 -1.701 11.600 1.473 1.00 0.00 N ATOM 544 CA TYR A 32 -2.607 10.479 1.073 1.00 0.00 C ATOM 545 C TYR A 32 -3.838 10.437 1.977 1.00 0.00 C ATOM 546 O TYR A 32 -3.950 11.181 2.932 1.00 0.00 O ATOM 547 CB TYR A 32 -1.787 9.189 1.235 1.00 0.00 C ATOM 548 CG TYR A 32 -1.062 9.192 2.561 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.778 9.039 3.753 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.327 9.356 2.596 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.104 9.048 4.980 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.001 9.367 3.820 1.00 0.00 C ATOM 553 CZ TYR A 32 0.286 9.213 5.015 1.00 0.00 C ATOM 554 OH TYR A 32 0.950 9.227 6.224 1.00 0.00 O ATOM 0 H TYR A 32 -1.297 11.519 2.406 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.961 10.603 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.445 8.322 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.068 9.102 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.850 8.914 3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.879 9.474 1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.657 8.928 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.073 9.494 3.845 1.00 0.00 H new ATOM 0 HH TYR A 32 1.910 9.350 6.069 1.00 0.00 H new ATOM 564 N ILE A 33 -4.761 9.568 1.677 1.00 0.00 N ATOM 565 CA ILE A 33 -5.992 9.458 2.506 1.00 0.00 C ATOM 566 C ILE A 33 -5.766 8.458 3.644 1.00 0.00 C ATOM 567 O ILE A 33 -6.174 8.675 4.768 1.00 0.00 O ATOM 568 CB ILE A 33 -7.058 8.956 1.528 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.399 10.073 0.538 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.321 8.553 2.288 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.790 9.459 -0.808 1.00 0.00 C ATOM 0 H ILE A 33 -4.715 8.924 0.887 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.281 10.398 2.976 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.672 8.088 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.218 10.679 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.543 10.736 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.072 8.198 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.082 7.758 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.711 9.415 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.033 10.254 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.958 8.872 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.658 8.814 -0.675 1.00 0.00 H new ATOM 583 N GLU A 34 -5.114 7.364 3.359 1.00 0.00 N ATOM 584 CA GLU A 34 -4.854 6.350 4.420 1.00 0.00 C ATOM 585 C GLU A 34 -3.656 5.481 4.028 1.00 0.00 C ATOM 586 O GLU A 34 -3.263 5.429 2.881 1.00 0.00 O ATOM 587 CB GLU A 34 -6.129 5.507 4.491 1.00 0.00 C ATOM 588 CG GLU A 34 -6.513 5.285 5.955 1.00 0.00 C ATOM 589 CD GLU A 34 -5.847 4.007 6.470 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.621 3.116 5.667 1.00 0.00 O ATOM 591 OE2 GLU A 34 -5.574 3.941 7.657 1.00 0.00 O ATOM 0 H GLU A 34 -4.750 7.128 2.436 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.619 6.807 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.940 6.010 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.972 4.549 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.201 6.138 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.596 5.207 6.050 1.00 0.00 H new ATOM 598 N LYS A 35 -3.074 4.794 4.971 1.00 0.00 N ATOM 599 CA LYS A 35 -1.906 3.927 4.646 1.00 0.00 C ATOM 600 C LYS A 35 -2.355 2.467 4.558 1.00 0.00 C ATOM 601 O LYS A 35 -2.770 1.878 5.536 1.00 0.00 O ATOM 602 CB LYS A 35 -0.930 4.128 5.806 1.00 0.00 C ATOM 603 CG LYS A 35 -0.348 5.542 5.740 1.00 0.00 C ATOM 604 CD LYS A 35 -0.634 6.273 7.052 1.00 0.00 C ATOM 605 CE LYS A 35 0.586 6.173 7.969 1.00 0.00 C ATOM 606 NZ LYS A 35 0.523 7.387 8.829 1.00 0.00 N ATOM 0 H LYS A 35 -3.356 4.795 5.951 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.449 4.178 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.441 3.977 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.129 3.390 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.727 5.496 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.785 6.088 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.869 7.319 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.506 5.838 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.556 5.263 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.511 6.145 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.290 7.355 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.629 8.237 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.394 7.418 9.319 1.00 0.00 H new ATOM 620 N ILE A 36 -2.290 1.881 3.392 1.00 0.00 N ATOM 621 CA ILE A 36 -2.732 0.459 3.253 1.00 0.00 C ATOM 622 C ILE A 36 -1.546 -0.470 3.070 1.00 0.00 C ATOM 623 O ILE A 36 -1.558 -1.600 3.519 1.00 0.00 O ATOM 624 CB ILE A 36 -3.623 0.437 2.014 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.852 0.997 0.810 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.860 1.295 2.272 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.669 0.799 -0.460 1.00 0.00 C ATOM 0 H ILE A 36 -1.953 2.320 2.535 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.256 0.115 4.145 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.924 -0.589 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.645 2.057 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.889 0.494 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.501 1.284 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.409 0.895 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.554 2.319 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.119 1.198 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.853 -0.265 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.621 1.322 -0.366 1.00 0.00 H new ATOM 639 N GLY A 37 -0.534 -0.023 2.399 1.00 0.00 N ATOM 640 CA GLY A 37 0.628 -0.902 2.177 1.00 0.00 C ATOM 641 C GLY A 37 1.909 -0.252 2.675 1.00 0.00 C ATOM 642 O GLY A 37 1.979 0.940 2.906 1.00 0.00 O ATOM 0 H GLY A 37 -0.462 0.911 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.474 -1.850 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.720 -1.127 1.114 1.00 0.00 H new ATOM 646 N TYR A 38 2.935 -1.039 2.793 1.00 0.00 N ATOM 647 CA TYR A 38 4.261 -0.516 3.220 1.00 0.00 C ATOM 648 C TYR A 38 5.332 -1.168 2.346 1.00 0.00 C ATOM 649 O TYR A 38 5.225 -2.327 1.995 1.00 0.00 O ATOM 650 CB TYR A 38 4.422 -0.934 4.684 1.00 0.00 C ATOM 651 CG TYR A 38 5.754 -0.444 5.211 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.231 0.829 4.860 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.510 -1.263 6.056 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.461 1.276 5.354 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.740 -0.815 6.551 1.00 0.00 C ATOM 656 CZ TYR A 38 8.216 0.455 6.200 1.00 0.00 C ATOM 657 OH TYR A 38 9.428 0.897 6.689 1.00 0.00 O ATOM 0 H TYR A 38 2.913 -2.042 2.609 1.00 0.00 H new ATOM 0 HA TYR A 38 4.349 0.566 3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.609 -0.521 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.362 -2.019 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.648 1.463 4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.144 -2.242 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.828 2.255 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.322 -1.448 7.204 1.00 0.00 H new ATOM 0 HH TYR A 38 10.157 0.473 6.189 1.00 0.00 H new ATOM 667 N TYR A 39 6.356 -0.449 1.973 1.00 0.00 N ATOM 668 CA TYR A 39 7.399 -1.072 1.109 1.00 0.00 C ATOM 669 C TYR A 39 8.802 -0.653 1.576 1.00 0.00 C ATOM 670 O TYR A 39 9.061 0.510 1.818 1.00 0.00 O ATOM 671 CB TYR A 39 7.131 -0.536 -0.299 1.00 0.00 C ATOM 672 CG TYR A 39 8.167 -1.103 -1.238 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.421 -0.495 -1.336 1.00 0.00 C ATOM 674 CD2 TYR A 39 7.883 -2.244 -1.998 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.394 -1.025 -2.190 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.857 -2.773 -2.857 1.00 0.00 C ATOM 677 CZ TYR A 39 10.110 -2.164 -2.951 1.00 0.00 C ATOM 678 OH TYR A 39 11.070 -2.687 -3.793 1.00 0.00 O ATOM 0 H TYR A 39 6.515 0.527 2.224 1.00 0.00 H new ATOM 0 HA TYR A 39 7.359 -2.161 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.130 -0.817 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.173 0.553 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.640 0.386 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.915 -2.716 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.364 -0.555 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.638 -3.651 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 39 10.711 -3.478 -4.247 1.00 0.00 H new ATOM 688 N ASP A 40 9.711 -1.583 1.698 1.00 0.00 N ATOM 689 CA ASP A 40 11.097 -1.225 2.140 1.00 0.00 C ATOM 690 C ASP A 40 12.124 -2.042 1.342 1.00 0.00 C ATOM 691 O ASP A 40 12.343 -3.199 1.623 1.00 0.00 O ATOM 692 CB ASP A 40 11.149 -1.595 3.623 1.00 0.00 C ATOM 693 CG ASP A 40 12.267 -0.809 4.309 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.367 -0.803 3.782 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.004 -0.228 5.348 1.00 0.00 O ATOM 0 H ASP A 40 9.558 -2.574 1.512 1.00 0.00 H new ATOM 0 HA ASP A 40 11.328 -0.172 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.192 -1.375 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.321 -2.665 3.735 1.00 0.00 H new ATOM 700 N PRO A 41 12.718 -1.422 0.359 1.00 0.00 N ATOM 701 CA PRO A 41 13.706 -2.140 -0.476 1.00 0.00 C ATOM 702 C PRO A 41 15.050 -2.248 0.253 1.00 0.00 C ATOM 703 O PRO A 41 16.014 -1.604 -0.111 1.00 0.00 O ATOM 704 CB PRO A 41 13.836 -1.257 -1.712 1.00 0.00 C ATOM 705 CG PRO A 41 13.454 0.120 -1.257 1.00 0.00 C ATOM 706 CD PRO A 41 12.541 -0.028 -0.064 1.00 0.00 C ATOM 0 HA PRO A 41 13.404 -3.160 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.854 -1.274 -2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.182 -1.602 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.341 0.695 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.952 0.662 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.811 0.666 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.504 0.178 -0.329 1.00 0.00 H new ATOM 714 N ARG A 42 15.126 -3.051 1.279 1.00 0.00 N ATOM 715 CA ARG A 42 16.406 -3.187 2.022 1.00 0.00 C ATOM 716 C ARG A 42 17.240 -4.339 1.455 1.00 0.00 C ATOM 717 O ARG A 42 16.712 -5.316 0.960 1.00 0.00 O ATOM 718 CB ARG A 42 16.000 -3.473 3.469 1.00 0.00 C ATOM 719 CG ARG A 42 16.313 -2.249 4.334 1.00 0.00 C ATOM 720 CD ARG A 42 16.453 -2.676 5.797 1.00 0.00 C ATOM 721 NE ARG A 42 17.281 -1.609 6.428 1.00 0.00 N ATOM 722 CZ ARG A 42 17.284 -1.442 7.729 1.00 0.00 C ATOM 723 NH1 ARG A 42 16.571 -2.216 8.511 1.00 0.00 N ATOM 724 NH2 ARG A 42 18.010 -0.493 8.253 1.00 0.00 N ATOM 0 H ARG A 42 14.356 -3.618 1.633 1.00 0.00 H new ATOM 0 HA ARG A 42 17.021 -2.291 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.937 -3.707 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.537 -4.344 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.234 -1.776 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.519 -1.509 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.479 -2.758 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.934 -3.651 5.880 1.00 0.00 H new ATOM 0 HE ARG A 42 17.852 -1.001 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.003 -2.962 8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.585 -2.072 9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.569 0.112 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.018 -0.356 9.264 1.00 0.00 H new ATOM 738 N LYS A 43 18.538 -4.231 1.525 1.00 0.00 N ATOM 739 CA LYS A 43 19.410 -5.318 0.992 1.00 0.00 C ATOM 740 C LYS A 43 19.852 -6.245 2.128 1.00 0.00 C ATOM 741 O LYS A 43 20.983 -6.687 2.176 1.00 0.00 O ATOM 742 CB LYS A 43 20.617 -4.594 0.392 1.00 0.00 C ATOM 743 CG LYS A 43 20.158 -3.703 -0.764 1.00 0.00 C ATOM 744 CD LYS A 43 19.950 -4.556 -2.018 1.00 0.00 C ATOM 745 CE LYS A 43 21.012 -4.200 -3.062 1.00 0.00 C ATOM 746 NZ LYS A 43 20.243 -3.699 -4.235 1.00 0.00 N ATOM 0 H LYS A 43 19.034 -3.436 1.929 1.00 0.00 H new ATOM 0 HA LYS A 43 18.897 -5.938 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.109 -3.992 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.349 -5.319 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.230 -3.195 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.901 -2.929 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.014 -5.614 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 43 18.953 -4.385 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.697 -3.441 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.614 -5.070 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.902 -3.434 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.604 -4.445 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.685 -2.867 -3.955 1.00 0.00 H new ATOM 760 N THR A 44 18.969 -6.540 3.043 1.00 0.00 N ATOM 761 CA THR A 44 19.341 -7.437 4.175 1.00 0.00 C ATOM 762 C THR A 44 18.151 -8.311 4.579 1.00 0.00 C ATOM 763 O THR A 44 18.297 -9.484 4.861 1.00 0.00 O ATOM 764 CB THR A 44 19.724 -6.494 5.318 1.00 0.00 C ATOM 765 OG1 THR A 44 19.993 -7.256 6.487 1.00 0.00 O ATOM 766 CG2 THR A 44 18.571 -5.525 5.591 1.00 0.00 C ATOM 0 H THR A 44 18.008 -6.200 3.056 1.00 0.00 H new ATOM 0 HA THR A 44 20.154 -8.114 3.912 1.00 0.00 H new ATOM 0 HB THR A 44 20.613 -5.927 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.240 -6.654 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.845 -4.854 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.366 -4.942 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.680 -6.088 5.869 1.00 0.00 H new ATOM 774 N THR A 45 16.973 -7.749 4.615 1.00 0.00 N ATOM 775 CA THR A 45 15.778 -8.549 5.006 1.00 0.00 C ATOM 776 C THR A 45 14.960 -8.931 3.763 1.00 0.00 C ATOM 777 O THR A 45 14.575 -8.070 2.996 1.00 0.00 O ATOM 778 CB THR A 45 14.963 -7.622 5.909 1.00 0.00 C ATOM 779 OG1 THR A 45 15.094 -6.285 5.449 1.00 0.00 O ATOM 780 CG2 THR A 45 15.473 -7.722 7.346 1.00 0.00 C ATOM 0 H THR A 45 16.787 -6.771 4.391 1.00 0.00 H new ATOM 0 HA THR A 45 16.052 -9.478 5.506 1.00 0.00 H new ATOM 0 HB THR A 45 13.914 -7.917 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.571 -5.688 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.890 -7.060 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.371 -8.749 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.522 -7.429 7.381 1.00 0.00 H new ATOM 788 N PRO A 46 14.713 -10.210 3.599 1.00 0.00 N ATOM 789 CA PRO A 46 13.927 -10.680 2.434 1.00 0.00 C ATOM 790 C PRO A 46 12.429 -10.421 2.648 1.00 0.00 C ATOM 791 O PRO A 46 11.622 -10.665 1.775 1.00 0.00 O ATOM 792 CB PRO A 46 14.212 -12.178 2.388 1.00 0.00 C ATOM 793 CG PRO A 46 14.582 -12.553 3.790 1.00 0.00 C ATOM 794 CD PRO A 46 15.135 -11.322 4.462 1.00 0.00 C ATOM 0 HA PRO A 46 14.194 -10.168 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.338 -12.734 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.022 -12.403 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.711 -12.925 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.322 -13.354 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.742 -11.211 5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.221 -11.369 4.546 1.00 0.00 H new ATOM 802 N ASP A 47 12.050 -9.934 3.801 1.00 0.00 N ATOM 803 CA ASP A 47 10.604 -9.669 4.054 1.00 0.00 C ATOM 804 C ASP A 47 10.374 -8.177 4.304 1.00 0.00 C ATOM 805 O ASP A 47 10.424 -7.710 5.424 1.00 0.00 O ATOM 806 CB ASP A 47 10.268 -10.481 5.305 1.00 0.00 C ATOM 807 CG ASP A 47 10.189 -11.966 4.942 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.799 -12.262 3.825 1.00 0.00 O ATOM 809 OD2 ASP A 47 10.521 -12.780 5.788 1.00 0.00 O ATOM 0 H ASP A 47 12.676 -9.710 4.574 1.00 0.00 H new ATOM 0 HA ASP A 47 9.978 -9.947 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.028 -10.322 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.319 -10.147 5.725 1.00 0.00 H new ATOM 814 N TRP A 48 10.126 -7.424 3.267 1.00 0.00 N ATOM 815 CA TRP A 48 9.894 -5.959 3.447 1.00 0.00 C ATOM 816 C TRP A 48 8.504 -5.563 2.939 1.00 0.00 C ATOM 817 O TRP A 48 7.977 -4.530 3.300 1.00 0.00 O ATOM 818 CB TRP A 48 10.981 -5.253 2.624 1.00 0.00 C ATOM 819 CG TRP A 48 11.098 -5.871 1.259 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.111 -6.668 0.851 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.195 -5.753 0.125 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.876 -7.064 -0.453 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.708 -6.524 -0.945 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.992 -5.066 -0.072 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.043 -6.609 -2.169 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.319 -5.146 -1.300 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.843 -5.917 -2.348 1.00 0.00 C ATOM 0 H TRP A 48 10.074 -7.757 2.304 1.00 0.00 H new ATOM 0 HA TRP A 48 9.941 -5.680 4.500 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.743 -4.194 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 48 11.938 -5.320 3.142 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.966 -6.950 1.447 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.491 -7.680 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.578 -4.470 0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.453 -7.205 -2.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.391 -4.611 -1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.320 -5.975 -3.291 1.00 0.00 H new ATOM 838 N LEU A 49 7.908 -6.367 2.101 1.00 0.00 N ATOM 839 CA LEU A 49 6.557 -6.019 1.572 1.00 0.00 C ATOM 840 C LEU A 49 5.488 -6.271 2.638 1.00 0.00 C ATOM 841 O LEU A 49 5.071 -7.390 2.860 1.00 0.00 O ATOM 842 CB LEU A 49 6.347 -6.959 0.384 1.00 0.00 C ATOM 843 CG LEU A 49 5.206 -6.439 -0.495 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.404 -6.930 -1.927 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.870 -6.959 0.040 1.00 0.00 C ATOM 0 H LEU A 49 8.296 -7.247 1.760 1.00 0.00 H new ATOM 0 HA LEU A 49 6.485 -4.969 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.264 -7.031 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.115 -7.963 0.740 1.00 0.00 H new ATOM 0 HG LEU A 49 5.204 -5.349 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.592 -6.561 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.355 -6.561 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.406 -8.020 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.058 -6.588 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.871 -8.049 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.727 -6.611 1.063 1.00 0.00 H new ATOM 857 N LYS A 50 5.036 -5.241 3.295 1.00 0.00 N ATOM 858 CA LYS A 50 3.988 -5.426 4.339 1.00 0.00 C ATOM 859 C LYS A 50 2.728 -4.656 3.940 1.00 0.00 C ATOM 860 O LYS A 50 2.675 -3.447 4.044 1.00 0.00 O ATOM 861 CB LYS A 50 4.593 -4.844 5.617 1.00 0.00 C ATOM 862 CG LYS A 50 5.923 -5.538 5.915 1.00 0.00 C ATOM 863 CD LYS A 50 5.736 -6.524 7.068 1.00 0.00 C ATOM 864 CE LYS A 50 5.274 -5.768 8.315 1.00 0.00 C ATOM 865 NZ LYS A 50 5.654 -6.641 9.459 1.00 0.00 N ATOM 0 H LYS A 50 5.346 -4.279 3.155 1.00 0.00 H new ATOM 0 HA LYS A 50 3.703 -6.470 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.748 -3.771 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.905 -4.979 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.279 -6.062 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.681 -4.799 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.002 -7.283 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.672 -7.045 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.756 -4.793 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.199 -5.592 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.369 -6.188 10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.175 -7.560 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.684 -6.786 9.458 1.00 0.00 H new ATOM 879 N VAL A 51 1.714 -5.339 3.477 1.00 0.00 N ATOM 880 CA VAL A 51 0.477 -4.616 3.069 1.00 0.00 C ATOM 881 C VAL A 51 -0.760 -5.214 3.732 1.00 0.00 C ATOM 882 O VAL A 51 -0.862 -6.404 3.955 1.00 0.00 O ATOM 883 CB VAL A 51 0.405 -4.761 1.526 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.044 -4.951 1.034 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.945 -3.496 0.879 1.00 0.00 C ATOM 0 H VAL A 51 1.689 -6.353 3.365 1.00 0.00 H new ATOM 0 HA VAL A 51 0.506 -3.571 3.377 1.00 0.00 H new ATOM 0 HB VAL A 51 0.993 -5.638 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.050 -5.048 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.465 -5.851 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.643 -4.088 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.897 -3.593 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.346 -2.642 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.981 -3.345 1.184 1.00 0.00 H new ATOM 895 N ASP A 52 -1.727 -4.385 3.971 1.00 0.00 N ATOM 896 CA ASP A 52 -3.004 -4.869 4.532 1.00 0.00 C ATOM 897 C ASP A 52 -3.928 -5.119 3.346 1.00 0.00 C ATOM 898 O ASP A 52 -4.876 -4.393 3.136 1.00 0.00 O ATOM 899 CB ASP A 52 -3.527 -3.720 5.396 1.00 0.00 C ATOM 900 CG ASP A 52 -4.515 -4.265 6.429 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.397 -5.429 6.775 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.374 -3.511 6.853 1.00 0.00 O ATOM 0 H ASP A 52 -1.685 -3.381 3.799 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.921 -5.781 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.697 -3.222 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.015 -2.973 4.770 1.00 0.00 H new ATOM 907 N VAL A 53 -3.608 -6.116 2.542 1.00 0.00 N ATOM 908 CA VAL A 53 -4.412 -6.430 1.307 1.00 0.00 C ATOM 909 C VAL A 53 -5.903 -6.116 1.509 1.00 0.00 C ATOM 910 O VAL A 53 -6.569 -5.678 0.596 1.00 0.00 O ATOM 911 CB VAL A 53 -4.154 -7.930 0.985 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.965 -8.751 2.263 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.321 -8.523 0.182 1.00 0.00 C ATOM 0 H VAL A 53 -2.811 -6.734 2.693 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.106 -5.807 0.466 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.240 -7.978 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.787 -9.794 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.111 -8.365 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.862 -8.679 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.119 -9.573 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.240 -8.441 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.433 -7.977 -0.755 1.00 0.00 H new ATOM 923 N GLU A 54 -6.423 -6.300 2.689 1.00 0.00 N ATOM 924 CA GLU A 54 -7.853 -5.964 2.903 1.00 0.00 C ATOM 925 C GLU A 54 -8.045 -4.472 2.648 1.00 0.00 C ATOM 926 O GLU A 54 -8.862 -4.068 1.844 1.00 0.00 O ATOM 927 CB GLU A 54 -8.146 -6.316 4.364 1.00 0.00 C ATOM 928 CG GLU A 54 -9.541 -5.814 4.747 1.00 0.00 C ATOM 929 CD GLU A 54 -9.417 -4.493 5.510 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.304 -4.541 6.725 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.438 -3.457 4.868 1.00 0.00 O ATOM 0 H GLU A 54 -5.927 -6.663 3.503 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.524 -6.505 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.085 -7.395 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.396 -5.866 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.147 -5.674 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.049 -6.556 5.363 1.00 0.00 H new ATOM 938 N ARG A 55 -7.284 -3.653 3.311 1.00 0.00 N ATOM 939 CA ARG A 55 -7.403 -2.194 3.094 1.00 0.00 C ATOM 940 C ARG A 55 -6.771 -1.829 1.751 1.00 0.00 C ATOM 941 O ARG A 55 -7.227 -0.947 1.059 1.00 0.00 O ATOM 942 CB ARG A 55 -6.641 -1.562 4.253 1.00 0.00 C ATOM 943 CG ARG A 55 -7.639 -0.991 5.262 1.00 0.00 C ATOM 944 CD ARG A 55 -7.289 0.468 5.555 1.00 0.00 C ATOM 945 NE ARG A 55 -5.857 0.438 5.965 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.513 0.103 7.187 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.414 -0.258 8.069 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.252 0.113 7.526 1.00 0.00 N ATOM 0 H ARG A 55 -6.583 -3.935 3.996 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.436 -1.848 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.005 -2.305 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.986 -0.772 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.652 -1.061 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.615 -1.574 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.436 1.095 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.919 0.875 6.346 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.134 0.681 5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.400 -0.282 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.128 -0.515 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.543 0.380 6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.977 -0.146 8.473 1.00 0.00 H new ATOM 962 N ALA A 56 -5.743 -2.526 1.355 1.00 0.00 N ATOM 963 CA ALA A 56 -5.127 -2.232 0.043 1.00 0.00 C ATOM 964 C ALA A 56 -6.121 -2.657 -1.042 1.00 0.00 C ATOM 965 O ALA A 56 -6.116 -2.143 -2.146 1.00 0.00 O ATOM 966 CB ALA A 56 -3.826 -3.046 0.014 1.00 0.00 C ATOM 0 H ALA A 56 -5.308 -3.282 1.884 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.899 -1.179 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.313 -2.878 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.183 -2.733 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.058 -4.106 0.118 1.00 0.00 H new ATOM 972 N ARG A 57 -7.010 -3.569 -0.716 1.00 0.00 N ATOM 973 CA ARG A 57 -8.031 -3.998 -1.700 1.00 0.00 C ATOM 974 C ARG A 57 -9.247 -3.061 -1.619 1.00 0.00 C ATOM 975 O ARG A 57 -10.024 -2.955 -2.546 1.00 0.00 O ATOM 976 CB ARG A 57 -8.411 -5.425 -1.299 1.00 0.00 C ATOM 977 CG ARG A 57 -9.461 -5.972 -2.270 1.00 0.00 C ATOM 978 CD ARG A 57 -8.927 -7.241 -2.941 1.00 0.00 C ATOM 979 NE ARG A 57 -10.043 -8.226 -2.848 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.101 -8.117 -3.619 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.205 -7.140 -4.486 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.061 -8.994 -3.522 1.00 0.00 N ATOM 0 H ARG A 57 -7.064 -4.029 0.193 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.664 -3.963 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.527 -6.063 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.802 -5.435 -0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.385 -6.192 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.699 -5.222 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.652 -7.053 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.033 -7.608 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.984 -8.993 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.458 -6.450 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.033 -7.069 -5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.988 -9.758 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.885 -8.916 -4.117 1.00 0.00 H new ATOM 996 N TYR A 58 -9.392 -2.355 -0.522 1.00 0.00 N ATOM 997 CA TYR A 58 -10.520 -1.395 -0.376 1.00 0.00 C ATOM 998 C TYR A 58 -10.346 -0.341 -1.446 1.00 0.00 C ATOM 999 O TYR A 58 -11.247 0.014 -2.181 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.316 -0.806 1.031 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.790 0.638 1.148 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -11.963 1.055 0.508 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.050 1.555 1.914 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.398 2.380 0.632 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.487 2.881 2.034 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.661 3.292 1.395 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.091 4.597 1.517 1.00 0.00 O ATOM 0 H TYR A 58 -8.768 -2.407 0.283 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.516 -1.826 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.852 -1.418 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.259 -0.857 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.533 0.353 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.145 1.238 2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.304 2.699 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.917 3.586 2.620 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.385 5.204 1.210 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.162 0.148 -1.512 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.829 1.184 -2.501 1.00 0.00 C ATOM 1019 C TRP A 59 -8.997 0.618 -3.891 1.00 0.00 C ATOM 1020 O TRP A 59 -9.761 1.119 -4.689 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.397 1.548 -2.164 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.486 2.279 -0.880 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.038 1.857 0.319 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.150 3.535 -0.655 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.358 2.815 1.270 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.051 3.870 0.710 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.810 4.407 -1.518 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.602 5.052 1.206 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.370 5.595 -1.030 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.266 5.919 0.330 1.00 0.00 C ATOM 0 H TRP A 59 -8.389 -0.132 -0.908 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.468 2.067 -2.474 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.774 0.658 -2.071 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.953 2.168 -2.942 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.518 0.930 0.508 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.112 2.749 2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.890 4.166 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.517 5.296 2.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.884 6.264 -1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.698 6.837 0.702 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.341 -0.463 -4.177 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.528 -1.097 -5.509 1.00 0.00 C ATOM 1043 C LEU A 60 -10.033 -1.305 -5.745 1.00 0.00 C ATOM 1044 O LEU A 60 -10.495 -1.398 -6.865 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.799 -2.441 -5.429 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.362 -2.272 -5.922 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.469 -3.335 -5.278 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.325 -2.434 -7.443 1.00 0.00 C ATOM 0 H LEU A 60 -7.687 -0.935 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.139 -0.492 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.802 -2.808 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.317 -3.185 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.000 -1.281 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.445 -3.213 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.495 -3.224 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.830 -4.327 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.301 -2.314 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.688 -3.426 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.960 -1.678 -7.905 1.00 0.00 H new ATOM 1060 N SER A 61 -10.803 -1.362 -4.677 1.00 0.00 N ATOM 1061 CA SER A 61 -12.273 -1.544 -4.818 1.00 0.00 C ATOM 1062 C SER A 61 -12.957 -0.212 -5.167 1.00 0.00 C ATOM 1063 O SER A 61 -14.045 -0.197 -5.707 1.00 0.00 O ATOM 1064 CB SER A 61 -12.748 -2.051 -3.456 1.00 0.00 C ATOM 1065 OG SER A 61 -13.130 -3.416 -3.570 1.00 0.00 O ATOM 0 H SER A 61 -10.468 -1.289 -3.716 1.00 0.00 H new ATOM 0 HA SER A 61 -12.519 -2.239 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.953 -1.944 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.590 -1.454 -3.106 1.00 0.00 H new ATOM 0 HG SER A 61 -13.433 -3.745 -2.698 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.336 0.906 -4.874 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.971 2.207 -5.208 1.00 0.00 C ATOM 1073 C VAL A 62 -12.378 2.736 -6.513 1.00 0.00 C ATOM 1074 O VAL A 62 -12.220 3.925 -6.709 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.664 3.161 -4.037 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.022 2.508 -2.700 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.178 3.544 -4.026 1.00 0.00 C ATOM 0 H VAL A 62 -11.424 0.968 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.048 2.112 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.267 4.058 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.798 3.198 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.084 2.265 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.439 1.596 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.982 4.218 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.571 2.645 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.924 4.042 -4.962 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.047 1.846 -7.398 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.456 2.263 -8.700 1.00 0.00 C ATOM 1089 C GLY A 63 -10.057 2.838 -8.468 1.00 0.00 C ATOM 1090 O GLY A 63 -9.582 3.660 -9.226 1.00 0.00 O ATOM 0 H GLY A 63 -12.160 0.839 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.402 1.410 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.092 3.008 -9.177 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.390 2.411 -7.428 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.024 2.934 -7.160 1.00 0.00 C ATOM 1096 C ALA A 64 -7.039 2.353 -8.172 1.00 0.00 C ATOM 1097 O ALA A 64 -7.140 1.206 -8.559 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.679 2.464 -5.748 1.00 0.00 C ATOM 0 H ALA A 64 -9.733 1.725 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.974 4.020 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.682 2.814 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.406 2.867 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.703 1.375 -5.711 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.092 3.132 -8.607 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.110 2.615 -9.599 1.00 0.00 C ATOM 1106 C GLN A 65 -3.692 2.626 -9.009 1.00 0.00 C ATOM 1107 O GLN A 65 -3.150 3.678 -8.734 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.206 3.580 -10.778 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.781 2.845 -11.989 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.268 3.865 -13.018 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.320 5.047 -12.743 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.627 3.455 -14.203 1.00 0.00 N ATOM 0 H GLN A 65 -5.954 4.101 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.319 1.585 -9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.840 4.427 -10.518 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.221 3.981 -11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.022 2.200 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.605 2.202 -11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.583 2.462 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.951 4.127 -14.899 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.129 1.454 -8.834 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.760 1.355 -8.282 1.00 0.00 C ATOM 1123 C PRO A 66 -0.724 1.634 -9.376 1.00 0.00 C ATOM 1124 O PRO A 66 -0.764 1.055 -10.443 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.667 -0.089 -7.807 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.660 -0.846 -8.633 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.702 0.132 -9.118 1.00 0.00 C ATOM 0 HA PRO A 66 -1.567 2.073 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.660 -0.483 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.898 -0.168 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.166 -1.327 -9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.124 -1.636 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.899 0.006 -10.183 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.650 -0.009 -8.599 1.00 0.00 H new ATOM 1135 N THR A 67 0.201 2.519 -9.121 1.00 0.00 N ATOM 1136 CA THR A 67 1.235 2.835 -10.150 1.00 0.00 C ATOM 1137 C THR A 67 1.919 1.552 -10.636 1.00 0.00 C ATOM 1138 O THR A 67 1.590 0.461 -10.207 1.00 0.00 O ATOM 1139 CB THR A 67 2.242 3.743 -9.438 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.316 3.389 -8.064 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.800 5.200 -9.568 1.00 0.00 C ATOM 0 H THR A 67 0.286 3.037 -8.246 1.00 0.00 H new ATOM 0 HA THR A 67 0.803 3.314 -11.029 1.00 0.00 H new ATOM 0 HB THR A 67 3.224 3.621 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.155 3.725 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.518 5.845 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.750 5.472 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.817 5.324 -9.114 1.00 0.00 H new ATOM 1149 N ASP A 68 2.872 1.676 -11.524 1.00 0.00 N ATOM 1150 CA ASP A 68 3.586 0.467 -12.040 1.00 0.00 C ATOM 1151 C ASP A 68 4.614 -0.023 -11.015 1.00 0.00 C ATOM 1152 O ASP A 68 5.778 -0.195 -11.316 1.00 0.00 O ATOM 1153 CB ASP A 68 4.286 0.940 -13.316 1.00 0.00 C ATOM 1154 CG ASP A 68 3.751 0.158 -14.515 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.594 0.346 -14.851 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.507 -0.616 -15.079 1.00 0.00 O ATOM 0 H ASP A 68 3.188 2.563 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 68 2.907 -0.365 -12.228 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.118 2.007 -13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.363 0.796 -13.227 1.00 0.00 H new ATOM 1161 N THR A 69 4.185 -0.249 -9.805 1.00 0.00 N ATOM 1162 CA THR A 69 5.105 -0.727 -8.735 1.00 0.00 C ATOM 1163 C THR A 69 4.265 -1.206 -7.557 1.00 0.00 C ATOM 1164 O THR A 69 4.313 -2.354 -7.162 1.00 0.00 O ATOM 1165 CB THR A 69 5.917 0.487 -8.310 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.277 1.264 -9.442 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.180 0.034 -7.573 1.00 0.00 C ATOM 0 H THR A 69 3.218 -0.120 -9.507 1.00 0.00 H new ATOM 0 HA THR A 69 5.747 -1.541 -9.073 1.00 0.00 H new ATOM 0 HB THR A 69 5.308 1.098 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.632 0.677 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.758 0.907 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.900 -0.539 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.783 -0.589 -8.233 1.00 0.00 H new ATOM 1175 N ALA A 70 3.466 -0.325 -7.016 1.00 0.00 N ATOM 1176 CA ALA A 70 2.589 -0.711 -5.890 1.00 0.00 C ATOM 1177 C ALA A 70 1.566 -1.708 -6.412 1.00 0.00 C ATOM 1178 O ALA A 70 1.024 -2.508 -5.675 1.00 0.00 O ATOM 1179 CB ALA A 70 1.912 0.584 -5.439 1.00 0.00 C ATOM 0 H ALA A 70 3.388 0.648 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 70 3.124 -1.174 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.244 0.374 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.671 1.301 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.338 1.002 -6.266 1.00 0.00 H new ATOM 1185 N ARG A 71 1.321 -1.688 -7.698 1.00 0.00 N ATOM 1186 CA ARG A 71 0.372 -2.651 -8.271 1.00 0.00 C ATOM 1187 C ARG A 71 1.015 -4.023 -8.181 1.00 0.00 C ATOM 1188 O ARG A 71 0.398 -4.995 -7.798 1.00 0.00 O ATOM 1189 CB ARG A 71 0.191 -2.232 -9.732 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.701 -3.248 -10.452 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.190 -3.458 -11.880 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.403 -3.810 -12.674 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.263 -2.886 -13.036 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.079 -1.630 -12.714 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -3.317 -3.225 -13.727 1.00 0.00 N ATOM 0 H ARG A 71 1.744 -1.042 -8.364 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.591 -2.677 -7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.257 -1.239 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.161 -2.170 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.701 -4.195 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.731 -2.893 -10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.287 -2.557 -12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.553 -4.254 -11.921 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.566 -4.781 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.258 -1.357 -12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.757 -0.925 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.468 -4.201 -13.982 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.990 -2.514 -14.012 1.00 0.00 H new ATOM 1209 N ARG A 72 2.276 -4.097 -8.505 1.00 0.00 N ATOM 1210 CA ARG A 72 2.968 -5.399 -8.416 1.00 0.00 C ATOM 1211 C ARG A 72 3.045 -5.813 -6.952 1.00 0.00 C ATOM 1212 O ARG A 72 2.887 -6.968 -6.607 1.00 0.00 O ATOM 1213 CB ARG A 72 4.365 -5.162 -8.992 1.00 0.00 C ATOM 1214 CG ARG A 72 4.616 -6.137 -10.144 1.00 0.00 C ATOM 1215 CD ARG A 72 6.122 -6.361 -10.307 1.00 0.00 C ATOM 1216 NE ARG A 72 6.657 -5.053 -10.786 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.489 -4.674 -12.032 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.845 -5.429 -12.886 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.970 -3.526 -12.425 1.00 0.00 N ATOM 0 H ARG A 72 2.848 -3.315 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 72 2.454 -6.192 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.454 -4.135 -9.345 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.118 -5.299 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.116 -7.085 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.195 -5.741 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.582 -6.654 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.328 -7.157 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 72 7.159 -4.446 -10.138 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.465 -6.327 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.724 -5.119 -13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.472 -2.931 -11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.844 -3.224 -13.391 1.00 0.00 H new ATOM 1233 N LEU A 73 3.274 -4.867 -6.086 1.00 0.00 N ATOM 1234 CA LEU A 73 3.351 -5.180 -4.644 1.00 0.00 C ATOM 1235 C LEU A 73 1.950 -5.439 -4.117 1.00 0.00 C ATOM 1236 O LEU A 73 1.763 -6.179 -3.175 1.00 0.00 O ATOM 1237 CB LEU A 73 3.973 -3.949 -3.986 1.00 0.00 C ATOM 1238 CG LEU A 73 5.306 -3.631 -4.662 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.687 -2.179 -4.375 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.390 -4.564 -4.118 1.00 0.00 C ATOM 0 H LEU A 73 3.411 -3.884 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 73 3.946 -6.069 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.298 -3.098 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.126 -4.130 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 73 5.213 -3.775 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.638 -1.950 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.914 -1.516 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.781 -2.033 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.341 -4.337 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.486 -4.422 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.116 -5.599 -4.324 1.00 0.00 H new ATOM 1252 N LEU A 74 0.956 -4.872 -4.742 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.426 -5.147 -4.294 1.00 0.00 C ATOM 1254 C LEU A 74 -0.747 -6.577 -4.707 1.00 0.00 C ATOM 1255 O LEU A 74 -1.486 -7.282 -4.055 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.313 -4.144 -5.032 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.402 -2.853 -4.219 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.190 -1.808 -5.008 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.117 -3.133 -2.894 1.00 0.00 C ATOM 0 H LEU A 74 1.044 -4.237 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.572 -5.048 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.903 -3.937 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.308 -4.562 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.398 -2.479 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.254 -0.887 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.685 -1.608 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.194 -2.183 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.181 -2.213 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.121 -3.506 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.558 -3.880 -2.330 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.144 -7.017 -5.781 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.352 -8.404 -6.247 1.00 0.00 C ATOM 1273 C ARG A 75 0.532 -9.327 -5.413 1.00 0.00 C ATOM 1274 O ARG A 75 0.221 -10.480 -5.189 1.00 0.00 O ATOM 1275 CB ARG A 75 0.095 -8.395 -7.712 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.756 -9.376 -8.518 1.00 0.00 C ATOM 1277 CD ARG A 75 0.045 -10.653 -8.778 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.362 -11.591 -7.694 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.168 -12.789 -7.608 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.069 -13.191 -8.470 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.209 -13.590 -6.649 1.00 0.00 N ATOM 0 H ARG A 75 0.489 -6.461 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.381 -8.749 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.001 -7.391 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.148 -8.669 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.671 -9.612 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.055 -8.923 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.179 -11.066 -9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.117 -10.459 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.061 -11.299 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.368 -12.570 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.471 -14.125 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.910 -13.283 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.197 -14.523 -6.574 1.00 0.00 H new ATOM 1295 N GLN A 76 1.637 -8.810 -4.945 1.00 0.00 N ATOM 1296 CA GLN A 76 2.556 -9.619 -4.120 1.00 0.00 C ATOM 1297 C GLN A 76 2.066 -9.655 -2.683 1.00 0.00 C ATOM 1298 O GLN A 76 2.184 -10.646 -1.991 1.00 0.00 O ATOM 1299 CB GLN A 76 3.889 -8.897 -4.241 1.00 0.00 C ATOM 1300 CG GLN A 76 5.034 -9.893 -4.079 1.00 0.00 C ATOM 1301 CD GLN A 76 5.532 -10.316 -5.461 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.714 -11.490 -5.722 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.767 -9.404 -6.365 1.00 0.00 N ATOM 0 H GLN A 76 1.938 -7.849 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 76 2.627 -10.658 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.959 -8.403 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.962 -8.119 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.846 -9.442 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.697 -10.765 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.615 -8.419 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.103 -9.676 -7.289 1.00 0.00 H new ATOM 1312 N ALA A 77 1.492 -8.585 -2.246 1.00 0.00 N ATOM 1313 CA ALA A 77 0.953 -8.536 -0.866 1.00 0.00 C ATOM 1314 C ALA A 77 -0.158 -9.583 -0.702 1.00 0.00 C ATOM 1315 O ALA A 77 -0.563 -9.902 0.398 1.00 0.00 O ATOM 1316 CB ALA A 77 0.383 -7.129 -0.709 1.00 0.00 C ATOM 0 H ALA A 77 1.369 -7.730 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 77 1.715 -8.751 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.036 -7.016 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.177 -6.396 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.400 -6.969 -1.451 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.653 -10.123 -1.791 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.732 -11.147 -1.691 1.00 0.00 C ATOM 1324 C GLY A 78 -3.098 -10.512 -1.983 1.00 0.00 C ATOM 1325 O GLY A 78 -4.119 -10.992 -1.531 1.00 0.00 O ATOM 0 H GLY A 78 -0.355 -9.897 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.541 -11.956 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.734 -11.587 -0.694 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.135 -9.441 -2.731 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.445 -8.798 -3.037 1.00 0.00 C ATOM 1331 C VAL A 79 -5.088 -9.440 -4.271 1.00 0.00 C ATOM 1332 O VAL A 79 -6.096 -10.110 -4.174 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.144 -7.325 -3.297 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.458 -6.547 -3.384 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.292 -6.755 -2.157 1.00 0.00 C ATOM 0 H VAL A 79 -2.319 -8.986 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.147 -8.921 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.596 -7.232 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.246 -5.494 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.063 -6.945 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.003 -6.647 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.082 -5.703 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.834 -6.849 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.354 -7.307 -2.093 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.519 -9.240 -5.431 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.115 -9.845 -6.660 1.00 0.00 C ATOM 1347 C PHE A 80 -4.071 -10.661 -7.427 1.00 0.00 C ATOM 1348 O PHE A 80 -3.004 -10.954 -6.926 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.606 -8.665 -7.507 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.508 -7.637 -7.679 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.444 -7.878 -8.562 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.567 -6.431 -6.971 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.445 -6.911 -8.730 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.566 -5.468 -7.139 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.506 -5.707 -8.018 1.00 0.00 C ATOM 0 H PHE A 80 -3.674 -8.689 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.927 -10.530 -6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.932 -9.023 -8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.471 -8.204 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.396 -8.807 -9.111 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.387 -6.243 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.626 -7.094 -9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.612 -4.540 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.734 -4.963 -8.148 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.381 -11.038 -8.639 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.420 -11.846 -9.448 1.00 0.00 C ATOM 1367 C ARG A 81 -3.997 -12.104 -10.843 1.00 0.00 C ATOM 1368 O ARG A 81 -5.070 -12.654 -10.990 1.00 0.00 O ATOM 1369 CB ARG A 81 -3.254 -13.164 -8.682 1.00 0.00 C ATOM 1370 CG ARG A 81 -4.630 -13.764 -8.379 1.00 0.00 C ATOM 1371 CD ARG A 81 -4.895 -13.703 -6.872 1.00 0.00 C ATOM 1372 NE ARG A 81 -5.595 -14.980 -6.554 1.00 0.00 N ATOM 1373 CZ ARG A 81 -6.856 -15.154 -6.875 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -7.535 -14.208 -7.477 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -7.444 -16.284 -6.590 1.00 0.00 N ATOM 0 H ARG A 81 -5.261 -10.821 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.466 -11.337 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.663 -13.865 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.710 -12.990 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.404 -13.216 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.672 -14.797 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.965 -13.612 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.509 -12.841 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.088 -15.728 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.084 -13.321 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.514 -14.359 -7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.924 -17.025 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.424 -16.426 -6.837 1.00 0.00 H new ATOM 1389 N GLN A 82 -3.296 -11.705 -11.871 1.00 0.00 N ATOM 1390 CA GLN A 82 -3.810 -11.923 -13.256 1.00 0.00 C ATOM 1391 C GLN A 82 -3.091 -13.105 -13.913 1.00 0.00 C ATOM 1392 O GLN A 82 -2.549 -12.988 -14.995 1.00 0.00 O ATOM 1393 CB GLN A 82 -3.496 -10.627 -14.002 1.00 0.00 C ATOM 1394 CG GLN A 82 -4.659 -9.646 -13.837 1.00 0.00 C ATOM 1395 CD GLN A 82 -4.178 -8.406 -13.083 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -3.822 -8.484 -11.925 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -4.151 -7.255 -13.697 1.00 0.00 N ATOM 0 H GLN A 82 -2.391 -11.238 -11.812 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.875 -12.155 -13.267 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.577 -10.186 -13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.329 -10.835 -15.059 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.050 -9.362 -14.814 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.475 -10.121 -13.293 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.450 -7.189 -14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.831 -6.421 -13.204 1.00 0.00 H new ATOM 1406 N GLU A 83 -3.084 -14.242 -13.273 1.00 0.00 N ATOM 1407 CA GLU A 83 -2.402 -15.426 -13.870 1.00 0.00 C ATOM 1408 C GLU A 83 -3.067 -15.800 -15.198 1.00 0.00 C ATOM 1409 O GLU A 83 -4.129 -15.312 -15.528 1.00 0.00 O ATOM 1410 CB GLU A 83 -2.581 -16.548 -12.846 1.00 0.00 C ATOM 1411 CG GLU A 83 -1.499 -16.432 -11.770 1.00 0.00 C ATOM 1412 CD GLU A 83 -0.210 -17.089 -12.269 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -0.308 -18.015 -13.058 1.00 0.00 O ATOM 1414 OE2 GLU A 83 0.852 -16.656 -11.853 1.00 0.00 O ATOM 0 H GLU A 83 -3.520 -14.403 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.350 -15.234 -14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.570 -16.486 -12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.517 -17.518 -13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.317 -15.384 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.833 -16.913 -10.851 1.00 0.00 H new ATOM 1421 N ALA A 84 -2.450 -16.660 -15.962 1.00 0.00 N ATOM 1422 CA ALA A 84 -3.049 -17.060 -17.269 1.00 0.00 C ATOM 1423 C ALA A 84 -4.110 -18.144 -17.057 1.00 0.00 C ATOM 1424 O ALA A 84 -4.409 -18.528 -15.944 1.00 0.00 O ATOM 1425 CB ALA A 84 -1.881 -17.602 -18.091 1.00 0.00 C ATOM 0 H ALA A 84 -1.559 -17.103 -15.739 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.545 -16.227 -17.768 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.241 -17.918 -19.070 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.130 -16.822 -18.215 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.437 -18.453 -17.575 1.00 0.00 H new ATOM 1431 N ARG A 85 -4.682 -18.642 -18.119 1.00 0.00 N ATOM 1432 CA ARG A 85 -5.724 -19.701 -17.979 1.00 0.00 C ATOM 1433 C ARG A 85 -5.737 -20.595 -19.221 1.00 0.00 C ATOM 1434 O ARG A 85 -5.845 -20.125 -20.336 1.00 0.00 O ATOM 1435 CB ARG A 85 -7.045 -18.940 -17.849 1.00 0.00 C ATOM 1436 CG ARG A 85 -8.146 -19.898 -17.388 1.00 0.00 C ATOM 1437 CD ARG A 85 -7.759 -20.510 -16.040 1.00 0.00 C ATOM 1438 NE ARG A 85 -9.044 -20.650 -15.295 1.00 0.00 N ATOM 1439 CZ ARG A 85 -9.617 -19.607 -14.741 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -9.083 -18.416 -14.832 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -10.738 -19.761 -14.089 1.00 0.00 N ATOM 0 H ARG A 85 -4.474 -18.362 -19.077 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.543 -20.351 -17.123 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.937 -18.123 -17.135 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.315 -18.493 -18.806 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.093 -19.365 -17.299 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.292 -20.685 -18.128 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.272 -21.476 -16.171 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.059 -19.870 -15.503 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.483 -21.567 -15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.208 -18.287 -15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.542 -17.617 -14.395 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.161 -20.686 -14.013 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.190 -18.956 -13.655 1.00 0.00 H new ATOM 1455 N GLU A 86 -5.628 -21.883 -19.037 1.00 0.00 N ATOM 1456 CA GLU A 86 -5.633 -22.807 -20.208 1.00 0.00 C ATOM 1457 C GLU A 86 -6.848 -22.528 -21.098 1.00 0.00 C ATOM 1458 O GLU A 86 -7.840 -21.980 -20.659 1.00 0.00 O ATOM 1459 CB GLU A 86 -5.715 -24.210 -19.606 1.00 0.00 C ATOM 1460 CG GLU A 86 -4.535 -25.049 -20.102 1.00 0.00 C ATOM 1461 CD GLU A 86 -4.784 -26.522 -19.772 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -5.496 -27.165 -20.526 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -4.257 -26.982 -18.773 1.00 0.00 O ATOM 0 H GLU A 86 -5.536 -22.335 -18.127 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.749 -22.685 -20.834 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.701 -24.151 -18.518 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.655 -24.684 -19.888 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.411 -24.922 -21.177 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.611 -24.711 -19.632 1.00 0.00 H new ATOM 1470 N GLY A 87 -6.777 -22.898 -22.348 1.00 0.00 N ATOM 1471 CA GLY A 87 -7.924 -22.652 -23.266 1.00 0.00 C ATOM 1472 C GLY A 87 -8.473 -23.988 -23.770 1.00 0.00 C ATOM 1473 O GLY A 87 -9.337 -24.585 -23.161 1.00 0.00 O ATOM 0 H GLY A 87 -5.973 -23.360 -22.773 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.706 -22.098 -22.747 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.604 -22.038 -24.108 1.00 0.00 H new ATOM 1477 N ALA A 88 -7.975 -24.463 -24.880 1.00 0.00 N ATOM 1478 CA ALA A 88 -8.466 -25.762 -25.422 1.00 0.00 C ATOM 1479 C ALA A 88 -7.287 -26.604 -25.919 1.00 0.00 C ATOM 1480 O ALA A 88 -6.318 -26.020 -26.376 1.00 0.00 O ATOM 1481 CB ALA A 88 -9.383 -25.387 -26.586 1.00 0.00 C ATOM 1482 OXT ALA A 88 -7.375 -27.818 -25.835 1.00 0.00 O ATOM 0 H ALA A 88 -7.250 -24.008 -25.434 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.987 -26.353 -24.669 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.785 -26.293 -27.039 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.203 -24.770 -26.219 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.815 -24.830 -27.332 1.00 0.00 H new TER 1488 ALA A 88