USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 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 44 THR OG1 : rot 131:sc= 0.422 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.0165 USER MOD Set 2.1: A 11 SER OG : rot -80:sc= 0.109! USER MOD Set 2.2: A 13 HIS : no HE2:sc= -0.377! C(o=-0.27!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-7.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.35 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 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 165:sc= -1.45! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 95:sc= 0.00565 USER MOD Single : A 65 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.125 F(o=-0.63,f=-0.13) USER MOD Single : A 82 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.024 10.643 -8.412 1.00 0.00 N ATOM 2 CA MET A 1 -9.012 9.722 -9.002 1.00 0.00 C ATOM 3 C MET A 1 -8.128 9.130 -7.899 1.00 0.00 C ATOM 4 O MET A 1 -7.054 9.623 -7.620 1.00 0.00 O ATOM 5 CB MET A 1 -8.185 10.593 -9.945 1.00 0.00 C ATOM 6 CG MET A 1 -8.581 10.296 -11.391 1.00 0.00 C ATOM 7 SD MET A 1 -7.493 11.206 -12.515 1.00 0.00 S ATOM 8 CE MET A 1 -8.518 11.047 -13.998 1.00 0.00 C ATOM 0 H1 MET A 1 -10.617 11.038 -9.169 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.622 10.118 -7.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.540 11.416 -7.912 1.00 0.00 H new ATOM 0 HA MET A 1 -9.472 8.882 -9.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.349 11.647 -9.721 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.123 10.397 -9.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.510 9.226 -11.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.619 10.583 -11.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.029 11.547 -14.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.653 9.992 -14.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.490 11.506 -13.819 1.00 0.00 H new ATOM 20 N VAL A 2 -8.574 8.076 -7.273 1.00 0.00 N ATOM 21 CA VAL A 2 -7.763 7.452 -6.189 1.00 0.00 C ATOM 22 C VAL A 2 -6.665 6.569 -6.790 1.00 0.00 C ATOM 23 O VAL A 2 -6.914 5.762 -7.661 1.00 0.00 O ATOM 24 CB VAL A 2 -8.759 6.606 -5.394 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.024 5.872 -4.272 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.830 7.518 -4.791 1.00 0.00 C ATOM 0 H VAL A 2 -9.466 7.619 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.264 8.193 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.229 5.878 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.734 5.269 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.259 5.225 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.554 6.598 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.542 6.918 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.359 8.244 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.354 8.042 -5.590 1.00 0.00 H new ATOM 36 N LYS A 3 -5.452 6.719 -6.334 1.00 0.00 N ATOM 37 CA LYS A 3 -4.343 5.885 -6.881 1.00 0.00 C ATOM 38 C LYS A 3 -3.391 5.464 -5.757 1.00 0.00 C ATOM 39 O LYS A 3 -3.113 6.226 -4.852 1.00 0.00 O ATOM 40 CB LYS A 3 -3.627 6.790 -7.884 1.00 0.00 C ATOM 41 CG LYS A 3 -4.586 7.151 -9.020 1.00 0.00 C ATOM 42 CD LYS A 3 -3.787 7.667 -10.218 1.00 0.00 C ATOM 43 CE LYS A 3 -3.252 6.481 -11.023 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.915 6.919 -11.510 1.00 0.00 N ATOM 0 H LYS A 3 -5.180 7.382 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.705 4.968 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.277 7.695 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.748 6.285 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.170 6.277 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.292 7.911 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.419 8.292 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.961 8.291 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.173 5.587 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.914 6.237 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.484 6.158 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.022 7.768 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.304 7.138 -10.697 1.00 0.00 H new ATOM 58 N ILE A 4 -2.878 4.262 -5.808 1.00 0.00 N ATOM 59 CA ILE A 4 -1.937 3.811 -4.747 1.00 0.00 C ATOM 60 C ILE A 4 -0.519 3.694 -5.324 1.00 0.00 C ATOM 61 O ILE A 4 -0.319 3.173 -6.401 1.00 0.00 O ATOM 62 CB ILE A 4 -2.473 2.459 -4.269 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.760 2.681 -3.472 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.438 1.773 -3.374 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.422 1.332 -3.183 1.00 0.00 C ATOM 0 H ILE A 4 -3.071 3.576 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.874 4.513 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.675 1.827 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.537 3.196 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.442 3.320 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.827 0.812 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.518 1.615 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.231 2.403 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.339 1.491 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.659 0.834 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.740 0.709 -2.604 1.00 0.00 H new ATOM 77 N ARG A 5 0.467 4.188 -4.623 1.00 0.00 N ATOM 78 CA ARG A 5 1.858 4.110 -5.147 1.00 0.00 C ATOM 79 C ARG A 5 2.868 4.058 -3.999 1.00 0.00 C ATOM 80 O ARG A 5 2.507 3.929 -2.851 1.00 0.00 O ATOM 81 CB ARG A 5 2.044 5.382 -5.973 1.00 0.00 C ATOM 82 CG ARG A 5 1.853 6.607 -5.079 1.00 0.00 C ATOM 83 CD ARG A 5 0.889 7.587 -5.752 1.00 0.00 C ATOM 84 NE ARG A 5 1.696 8.820 -5.987 1.00 0.00 N ATOM 85 CZ ARG A 5 2.514 8.910 -7.011 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.657 7.915 -7.851 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.201 10.004 -7.191 1.00 0.00 N ATOM 0 H ARG A 5 0.368 4.640 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 5 2.019 3.210 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.039 5.396 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.327 5.403 -6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.461 6.304 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.813 7.091 -4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.504 7.182 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.028 7.794 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 5 1.611 9.606 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.129 7.053 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.297 8.002 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.101 10.782 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.838 10.081 -7.984 1.00 0.00 H new ATOM 101 N LEU A 6 4.134 4.165 -4.305 1.00 0.00 N ATOM 102 CA LEU A 6 5.170 4.118 -3.234 1.00 0.00 C ATOM 103 C LEU A 6 5.440 5.523 -2.686 1.00 0.00 C ATOM 104 O LEU A 6 5.728 6.446 -3.421 1.00 0.00 O ATOM 105 CB LEU A 6 6.421 3.579 -3.928 1.00 0.00 C ATOM 106 CG LEU A 6 6.257 2.084 -4.184 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.342 1.868 -5.390 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.627 1.461 -4.463 1.00 0.00 C ATOM 0 H LEU A 6 4.495 4.283 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 6 4.860 3.501 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.582 4.104 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.299 3.758 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 6 5.815 1.612 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.226 0.800 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.366 2.310 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.781 2.340 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.510 0.393 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.070 1.933 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.278 1.613 -3.602 1.00 0.00 H new ATOM 120 N ALA A 7 5.342 5.687 -1.396 1.00 0.00 N ATOM 121 CA ALA A 7 5.581 7.024 -0.785 1.00 0.00 C ATOM 122 C ALA A 7 6.990 7.107 -0.196 1.00 0.00 C ATOM 123 O ALA A 7 7.268 6.533 0.827 1.00 0.00 O ATOM 124 CB ALA A 7 4.545 7.104 0.329 1.00 0.00 C ATOM 0 H ALA A 7 5.105 4.947 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 7 5.498 7.835 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.639 8.060 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.545 7.018 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.709 6.292 1.037 1.00 0.00 H new ATOM 130 N ARG A 8 7.883 7.816 -0.828 1.00 0.00 N ATOM 131 CA ARG A 8 9.270 7.917 -0.290 1.00 0.00 C ATOM 132 C ARG A 8 9.336 8.863 0.915 1.00 0.00 C ATOM 133 O ARG A 8 9.051 10.039 0.807 1.00 0.00 O ATOM 134 CB ARG A 8 10.100 8.481 -1.439 1.00 0.00 C ATOM 135 CG ARG A 8 11.582 8.191 -1.185 1.00 0.00 C ATOM 136 CD ARG A 8 12.175 9.293 -0.303 1.00 0.00 C ATOM 137 NE ARG A 8 13.626 8.962 -0.196 1.00 0.00 N ATOM 138 CZ ARG A 8 14.449 9.213 -1.188 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.018 9.751 -2.301 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.714 8.920 -1.063 1.00 0.00 N ATOM 0 H ARG A 8 7.714 8.330 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 8 9.632 6.949 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.787 8.034 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.938 9.555 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.696 7.222 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.121 8.139 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.026 10.277 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.701 9.311 0.678 1.00 0.00 H new ATOM 0 HE ARG A 8 13.983 8.535 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.030 9.981 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.670 9.940 -3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.057 8.499 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.360 9.112 -1.829 1.00 0.00 H new ATOM 154 N PHE A 9 9.730 8.364 2.060 1.00 0.00 N ATOM 155 CA PHE A 9 9.835 9.251 3.263 1.00 0.00 C ATOM 156 C PHE A 9 11.293 9.392 3.697 1.00 0.00 C ATOM 157 O PHE A 9 11.858 10.468 3.699 1.00 0.00 O ATOM 158 CB PHE A 9 9.074 8.560 4.399 1.00 0.00 C ATOM 159 CG PHE A 9 7.793 7.945 3.918 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.660 8.739 3.737 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.732 6.568 3.693 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.464 8.155 3.331 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.541 5.987 3.283 1.00 0.00 C ATOM 164 CZ PHE A 9 5.408 6.779 3.105 1.00 0.00 C ATOM 0 H PHE A 9 9.982 7.388 2.215 1.00 0.00 H new ATOM 0 HA PHE A 9 9.433 10.237 3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.704 7.788 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.857 9.284 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.711 9.804 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.610 5.957 3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.583 8.764 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.492 4.923 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.480 6.325 2.790 1.00 0.00 H new ATOM 174 N GLY A 10 11.892 8.300 4.095 1.00 0.00 N ATOM 175 CA GLY A 10 13.301 8.333 4.571 1.00 0.00 C ATOM 176 C GLY A 10 14.185 9.110 3.592 1.00 0.00 C ATOM 177 O GLY A 10 14.380 8.708 2.463 1.00 0.00 O ATOM 0 H GLY A 10 11.457 7.377 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.346 8.797 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.677 7.316 4.680 1.00 0.00 H new ATOM 181 N SER A 11 14.728 10.219 4.020 1.00 0.00 N ATOM 182 CA SER A 11 15.608 11.012 3.114 1.00 0.00 C ATOM 183 C SER A 11 17.014 10.405 3.100 1.00 0.00 C ATOM 184 O SER A 11 17.507 9.979 2.075 1.00 0.00 O ATOM 185 CB SER A 11 15.630 12.428 3.704 1.00 0.00 C ATOM 186 OG SER A 11 16.482 12.465 4.835 1.00 0.00 O ATOM 0 H SER A 11 14.601 10.608 4.954 1.00 0.00 H new ATOM 0 HA SER A 11 15.250 11.017 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.976 13.139 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.621 12.729 3.987 1.00 0.00 H new ATOM 0 HG SER A 11 16.007 12.108 5.614 1.00 0.00 H new ATOM 192 N LYS A 12 17.657 10.364 4.234 1.00 0.00 N ATOM 193 CA LYS A 12 19.034 9.791 4.309 1.00 0.00 C ATOM 194 C LYS A 12 19.179 9.013 5.614 1.00 0.00 C ATOM 195 O LYS A 12 20.184 9.096 6.292 1.00 0.00 O ATOM 196 CB LYS A 12 19.978 10.998 4.313 1.00 0.00 C ATOM 197 CG LYS A 12 19.599 11.971 3.193 1.00 0.00 C ATOM 198 CD LYS A 12 20.865 12.603 2.612 1.00 0.00 C ATOM 199 CE LYS A 12 21.057 14.004 3.197 1.00 0.00 C ATOM 200 NZ LYS A 12 22.072 14.647 2.319 1.00 0.00 N ATOM 0 H LYS A 12 17.286 10.705 5.120 1.00 0.00 H new ATOM 0 HA LYS A 12 19.250 9.114 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.928 11.505 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.007 10.664 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.051 11.445 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.938 12.746 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.731 11.981 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.790 12.659 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.122 14.564 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.400 13.957 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.259 15.613 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.953 14.095 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.714 14.683 1.343 1.00 0.00 H new ATOM 214 N HIS A 13 18.170 8.278 5.981 1.00 0.00 N ATOM 215 CA HIS A 13 18.229 7.512 7.262 1.00 0.00 C ATOM 216 C HIS A 13 17.873 6.051 6.989 1.00 0.00 C ATOM 217 O HIS A 13 18.518 5.136 7.461 1.00 0.00 O ATOM 218 CB HIS A 13 17.176 8.154 8.191 1.00 0.00 C ATOM 219 CG HIS A 13 17.010 9.617 7.867 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.039 10.527 8.025 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.961 10.325 7.339 1.00 0.00 C ATOM 222 CE1 HIS A 13 17.591 11.719 7.594 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.330 11.651 7.171 1.00 0.00 N ATOM 0 H HIS A 13 17.305 8.172 5.452 1.00 0.00 H new ATOM 0 HA HIS A 13 19.221 7.540 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.221 7.640 8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.481 8.038 9.231 1.00 0.00 H new ATOM 0 HD1 HIS A 13 18.967 10.330 8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.994 9.912 7.092 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.182 12.623 7.591 1.00 0.00 H new ATOM 231 N ASN A 14 16.844 5.839 6.217 1.00 0.00 N ATOM 232 CA ASN A 14 16.414 4.454 5.881 1.00 0.00 C ATOM 233 C ASN A 14 15.489 4.504 4.655 1.00 0.00 C ATOM 234 O ASN A 14 14.439 5.113 4.707 1.00 0.00 O ATOM 235 CB ASN A 14 15.655 3.967 7.117 1.00 0.00 C ATOM 236 CG ASN A 14 15.931 2.479 7.334 1.00 0.00 C ATOM 237 OD1 ASN A 14 15.626 1.663 6.488 1.00 0.00 O ATOM 238 ND2 ASN A 14 16.502 2.088 8.441 1.00 0.00 N ATOM 0 H ASN A 14 16.276 6.576 5.800 1.00 0.00 H new ATOM 0 HA ASN A 14 17.245 3.792 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.964 4.536 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.586 4.134 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.692 1.098 8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.758 2.773 9.152 1.00 0.00 H new ATOM 245 N PRO A 15 15.909 3.884 3.579 1.00 0.00 N ATOM 246 CA PRO A 15 15.096 3.897 2.339 1.00 0.00 C ATOM 247 C PRO A 15 13.856 3.006 2.475 1.00 0.00 C ATOM 248 O PRO A 15 13.944 1.794 2.456 1.00 0.00 O ATOM 249 CB PRO A 15 16.044 3.346 1.278 1.00 0.00 C ATOM 250 CG PRO A 15 17.036 2.521 2.035 1.00 0.00 C ATOM 251 CD PRO A 15 17.158 3.125 3.409 1.00 0.00 C ATOM 0 HA PRO A 15 14.719 4.891 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.508 2.744 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.535 4.151 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.706 1.484 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.001 2.518 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.265 2.356 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.031 3.773 3.484 1.00 0.00 H new ATOM 259 N HIS A 16 12.700 3.603 2.592 1.00 0.00 N ATOM 260 CA HIS A 16 11.446 2.802 2.705 1.00 0.00 C ATOM 261 C HIS A 16 10.262 3.604 2.177 1.00 0.00 C ATOM 262 O HIS A 16 10.060 4.748 2.532 1.00 0.00 O ATOM 263 CB HIS A 16 11.260 2.500 4.197 1.00 0.00 C ATOM 264 CG HIS A 16 11.065 3.778 4.971 1.00 0.00 C ATOM 265 ND1 HIS A 16 9.860 4.483 4.984 1.00 0.00 N ATOM 266 CD2 HIS A 16 11.923 4.490 5.767 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.046 5.565 5.767 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.280 5.615 6.268 1.00 0.00 N ATOM 0 H HIS A 16 12.570 4.614 2.614 1.00 0.00 H new ATOM 0 HA HIS A 16 11.507 1.884 2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.399 1.847 4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.131 1.966 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.947 4.217 5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.284 6.304 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.669 6.327 6.887 1.00 0.00 H new ATOM 276 N TYR A 17 9.468 3.012 1.337 1.00 0.00 N ATOM 277 CA TYR A 17 8.290 3.724 0.808 1.00 0.00 C ATOM 278 C TYR A 17 7.048 2.981 1.249 1.00 0.00 C ATOM 279 O TYR A 17 7.095 1.791 1.464 1.00 0.00 O ATOM 280 CB TYR A 17 8.363 3.609 -0.707 1.00 0.00 C ATOM 281 CG TYR A 17 9.655 4.141 -1.261 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.859 3.481 -1.001 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.639 5.281 -2.068 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.049 3.966 -1.543 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.827 5.765 -2.615 1.00 0.00 C ATOM 286 CZ TYR A 17 12.036 5.109 -2.352 1.00 0.00 C ATOM 287 OH TYR A 17 13.212 5.587 -2.892 1.00 0.00 O ATOM 0 H TYR A 17 9.589 2.059 0.995 1.00 0.00 H new ATOM 0 HA TYR A 17 8.264 4.759 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.250 2.564 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.529 4.153 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.868 2.597 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.707 5.788 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.981 3.460 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.815 6.645 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 17 13.025 6.386 -3.428 1.00 0.00 H new ATOM 297 N ARG A 18 5.929 3.631 1.332 1.00 0.00 N ATOM 298 CA ARG A 18 4.706 2.878 1.692 1.00 0.00 C ATOM 299 C ARG A 18 3.831 2.787 0.456 1.00 0.00 C ATOM 300 O ARG A 18 3.949 3.576 -0.459 1.00 0.00 O ATOM 301 CB ARG A 18 3.989 3.662 2.786 1.00 0.00 C ATOM 302 CG ARG A 18 4.670 3.424 4.136 1.00 0.00 C ATOM 303 CD ARG A 18 4.284 4.542 5.109 1.00 0.00 C ATOM 304 NE ARG A 18 4.339 3.912 6.461 1.00 0.00 N ATOM 305 CZ ARG A 18 3.377 3.121 6.876 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.342 2.861 6.115 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.453 2.585 8.064 1.00 0.00 N ATOM 0 H ARG A 18 5.808 4.631 1.170 1.00 0.00 H new ATOM 0 HA ARG A 18 4.937 1.874 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.998 4.726 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.944 3.356 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.371 2.457 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.752 3.396 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.973 5.383 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.287 4.927 4.893 1.00 0.00 H new ATOM 0 HE ARG A 18 5.135 4.099 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.276 3.275 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.603 2.244 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.255 2.782 8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.710 1.969 8.394 1.00 0.00 H new ATOM 321 N ILE A 19 2.927 1.868 0.437 1.00 0.00 N ATOM 322 CA ILE A 19 2.016 1.765 -0.711 1.00 0.00 C ATOM 323 C ILE A 19 0.771 2.475 -0.218 1.00 0.00 C ATOM 324 O ILE A 19 -0.140 1.885 0.326 1.00 0.00 O ATOM 325 CB ILE A 19 1.777 0.265 -0.981 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.882 -0.617 -0.386 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.793 0.014 -2.482 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.235 -0.139 -0.909 1.00 0.00 C ATOM 0 H ILE A 19 2.780 1.178 1.174 1.00 0.00 H new ATOM 0 HA ILE A 19 2.373 2.200 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 19 0.820 0.014 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.860 -0.566 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.720 -1.660 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.624 -1.045 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.006 0.600 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.760 0.308 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.027 -0.761 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.251 -0.213 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.394 0.898 -0.613 1.00 0.00 H new ATOM 340 N VAL A 20 0.807 3.773 -0.303 1.00 0.00 N ATOM 341 CA VAL A 20 -0.276 4.601 0.262 1.00 0.00 C ATOM 342 C VAL A 20 -1.291 5.005 -0.806 1.00 0.00 C ATOM 343 O VAL A 20 -1.062 4.865 -1.991 1.00 0.00 O ATOM 344 CB VAL A 20 0.505 5.796 0.863 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.404 7.059 -0.003 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.015 6.094 2.266 1.00 0.00 C ATOM 0 H VAL A 20 1.558 4.299 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.890 4.093 1.005 1.00 0.00 H new ATOM 0 HB VAL A 20 1.556 5.511 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.969 7.866 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.812 6.855 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.641 7.354 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.536 6.935 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.075 6.343 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.122 5.217 2.899 1.00 0.00 H new ATOM 356 N VAL A 21 -2.433 5.459 -0.378 1.00 0.00 N ATOM 357 CA VAL A 21 -3.502 5.824 -1.338 1.00 0.00 C ATOM 358 C VAL A 21 -3.696 7.341 -1.360 1.00 0.00 C ATOM 359 O VAL A 21 -4.187 7.928 -0.415 1.00 0.00 O ATOM 360 CB VAL A 21 -4.794 5.130 -0.838 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.621 4.712 -2.048 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.519 3.865 0.003 1.00 0.00 C ATOM 0 H VAL A 21 -2.671 5.593 0.605 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.248 5.509 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.315 5.847 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.535 4.221 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.877 5.594 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.043 4.022 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.465 3.427 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.969 3.141 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.929 4.132 0.880 1.00 0.00 H new ATOM 372 N THR A 22 -3.318 7.981 -2.431 1.00 0.00 N ATOM 373 CA THR A 22 -3.486 9.461 -2.512 1.00 0.00 C ATOM 374 C THR A 22 -3.944 9.864 -3.914 1.00 0.00 C ATOM 375 O THR A 22 -4.480 9.068 -4.658 1.00 0.00 O ATOM 376 CB THR A 22 -2.096 10.034 -2.225 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.134 11.449 -2.347 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.088 9.458 -3.220 1.00 0.00 C ATOM 0 H THR A 22 -2.900 7.545 -3.253 1.00 0.00 H new ATOM 0 HA THR A 22 -4.235 9.829 -1.811 1.00 0.00 H new ATOM 0 HB THR A 22 -1.794 9.766 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.245 11.817 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.099 9.867 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.059 8.373 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.386 9.723 -4.234 1.00 0.00 H new ATOM 386 N ASP A 23 -3.731 11.097 -4.278 1.00 0.00 N ATOM 387 CA ASP A 23 -4.144 11.558 -5.633 1.00 0.00 C ATOM 388 C ASP A 23 -2.950 11.500 -6.591 1.00 0.00 C ATOM 389 O ASP A 23 -1.812 11.415 -6.173 1.00 0.00 O ATOM 390 CB ASP A 23 -4.615 13.001 -5.435 1.00 0.00 C ATOM 391 CG ASP A 23 -6.109 13.099 -5.751 1.00 0.00 C ATOM 392 OD1 ASP A 23 -6.785 12.088 -5.650 1.00 0.00 O ATOM 393 OD2 ASP A 23 -6.552 14.184 -6.089 1.00 0.00 O ATOM 0 H ASP A 23 -3.288 11.807 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.927 10.935 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.428 13.318 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.051 13.671 -6.084 1.00 0.00 H new ATOM 398 N ALA A 24 -3.199 11.537 -7.871 1.00 0.00 N ATOM 399 CA ALA A 24 -2.074 11.477 -8.851 1.00 0.00 C ATOM 400 C ALA A 24 -1.181 12.713 -8.720 1.00 0.00 C ATOM 401 O ALA A 24 0.028 12.611 -8.646 1.00 0.00 O ATOM 402 CB ALA A 24 -2.746 11.447 -10.223 1.00 0.00 C ATOM 0 H ALA A 24 -4.130 11.606 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.435 10.609 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.984 11.403 -11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.389 10.569 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.346 12.348 -10.354 1.00 0.00 H new ATOM 408 N ARG A 25 -1.764 13.879 -8.691 1.00 0.00 N ATOM 409 CA ARG A 25 -0.948 15.115 -8.567 1.00 0.00 C ATOM 410 C ARG A 25 -1.832 16.297 -8.163 1.00 0.00 C ATOM 411 O ARG A 25 -2.797 16.620 -8.826 1.00 0.00 O ATOM 412 CB ARG A 25 -0.352 15.344 -9.958 1.00 0.00 C ATOM 413 CG ARG A 25 1.151 15.058 -9.924 1.00 0.00 C ATOM 414 CD ARG A 25 1.906 16.210 -10.590 1.00 0.00 C ATOM 415 NE ARG A 25 1.400 16.241 -11.991 1.00 0.00 N ATOM 416 CZ ARG A 25 1.819 15.368 -12.878 1.00 0.00 C ATOM 417 NH1 ARG A 25 2.688 14.441 -12.555 1.00 0.00 N ATOM 418 NH2 ARG A 25 1.359 15.420 -14.098 1.00 0.00 N ATOM 0 H ARG A 25 -2.771 14.028 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.175 15.020 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.840 14.695 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.530 16.371 -10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.486 14.938 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.365 14.122 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.715 17.154 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.983 16.045 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 25 0.719 16.950 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.049 14.390 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.003 13.771 -13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.679 16.135 -14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.679 14.746 -14.793 1.00 0.00 H new ATOM 432 N ARG A 26 -1.508 16.946 -7.080 1.00 0.00 N ATOM 433 CA ARG A 26 -2.328 18.109 -6.635 1.00 0.00 C ATOM 434 C ARG A 26 -1.423 19.315 -6.367 1.00 0.00 C ATOM 435 O ARG A 26 -0.247 19.173 -6.101 1.00 0.00 O ATOM 436 CB ARG A 26 -3.004 17.646 -5.345 1.00 0.00 C ATOM 437 CG ARG A 26 -4.400 17.108 -5.663 1.00 0.00 C ATOM 438 CD ARG A 26 -5.326 17.349 -4.469 1.00 0.00 C ATOM 439 NE ARG A 26 -5.748 15.988 -4.025 1.00 0.00 N ATOM 440 CZ ARG A 26 -6.702 15.837 -3.137 1.00 0.00 C ATOM 441 NH1 ARG A 26 -7.312 16.873 -2.620 1.00 0.00 N ATOM 442 NH2 ARG A 26 -7.050 14.635 -2.762 1.00 0.00 N ATOM 0 H ARG A 26 -0.711 16.722 -6.483 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.056 18.417 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.405 16.871 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.074 18.475 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.798 17.601 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.348 16.042 -5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.810 17.882 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.186 17.956 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.289 15.165 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.048 17.816 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.052 16.738 -1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.581 13.821 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.791 14.510 -2.072 1.00 0.00 H new ATOM 456 N LYS A 27 -1.962 20.501 -6.437 1.00 0.00 N ATOM 457 CA LYS A 27 -1.128 21.714 -6.188 1.00 0.00 C ATOM 458 C LYS A 27 -1.374 22.265 -4.777 1.00 0.00 C ATOM 459 O LYS A 27 -0.775 23.244 -4.375 1.00 0.00 O ATOM 460 CB LYS A 27 -1.583 22.724 -7.241 1.00 0.00 C ATOM 461 CG LYS A 27 -0.371 23.207 -8.042 1.00 0.00 C ATOM 462 CD LYS A 27 -0.843 23.820 -9.361 1.00 0.00 C ATOM 463 CE LYS A 27 -0.841 22.749 -10.453 1.00 0.00 C ATOM 464 NZ LYS A 27 0.062 23.280 -11.512 1.00 0.00 N ATOM 0 H LYS A 27 -2.941 20.684 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.062 21.497 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.314 22.266 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.075 23.570 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.189 23.944 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.305 22.374 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.845 24.233 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.189 24.645 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.481 21.795 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.846 22.578 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.115 22.599 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.310 24.186 -11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.013 23.426 -11.116 1.00 0.00 H new ATOM 478 N ARG A 28 -2.247 21.654 -4.021 1.00 0.00 N ATOM 479 CA ARG A 28 -2.521 22.157 -2.643 1.00 0.00 C ATOM 480 C ARG A 28 -1.714 21.359 -1.614 1.00 0.00 C ATOM 481 O ARG A 28 -1.138 21.913 -0.700 1.00 0.00 O ATOM 482 CB ARG A 28 -4.019 21.940 -2.436 1.00 0.00 C ATOM 483 CG ARG A 28 -4.799 23.062 -3.125 1.00 0.00 C ATOM 484 CD ARG A 28 -5.534 23.897 -2.072 1.00 0.00 C ATOM 485 NE ARG A 28 -6.980 23.595 -2.281 1.00 0.00 N ATOM 486 CZ ARG A 28 -7.893 24.079 -1.472 1.00 0.00 C ATOM 487 NH1 ARG A 28 -7.561 24.850 -0.466 1.00 0.00 N ATOM 488 NH2 ARG A 28 -9.150 23.791 -1.672 1.00 0.00 N ATOM 0 H ARG A 28 -2.781 20.830 -4.297 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.238 23.203 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.317 20.973 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.251 21.923 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.119 23.694 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.513 22.641 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.217 23.630 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.330 24.960 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.263 23.004 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.581 25.082 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.282 25.218 0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.418 23.193 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.864 24.164 -1.047 1.00 0.00 H new ATOM 502 N ASP A 29 -1.669 20.063 -1.757 1.00 0.00 N ATOM 503 CA ASP A 29 -0.899 19.233 -0.785 1.00 0.00 C ATOM 504 C ASP A 29 -0.846 17.777 -1.260 1.00 0.00 C ATOM 505 O ASP A 29 -1.557 17.383 -2.162 1.00 0.00 O ATOM 506 CB ASP A 29 -1.675 19.339 0.529 1.00 0.00 C ATOM 507 CG ASP A 29 -3.113 18.864 0.313 1.00 0.00 C ATOM 508 OD1 ASP A 29 -3.804 19.474 -0.486 1.00 0.00 O ATOM 509 OD2 ASP A 29 -3.499 17.897 0.950 1.00 0.00 O ATOM 0 H ASP A 29 -2.131 19.543 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 29 0.132 19.571 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.193 18.735 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.671 20.370 0.884 1.00 0.00 H new ATOM 514 N GLY A 30 -0.008 16.976 -0.658 1.00 0.00 N ATOM 515 CA GLY A 30 0.089 15.549 -1.077 1.00 0.00 C ATOM 516 C GLY A 30 -0.157 14.640 0.128 1.00 0.00 C ATOM 517 O GLY A 30 0.681 13.839 0.493 1.00 0.00 O ATOM 0 H GLY A 30 0.612 17.248 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.641 15.339 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.074 15.350 -1.500 1.00 0.00 H new ATOM 521 N LYS A 31 -1.298 14.754 0.748 1.00 0.00 N ATOM 522 CA LYS A 31 -1.594 13.893 1.928 1.00 0.00 C ATOM 523 C LYS A 31 -2.510 12.735 1.520 1.00 0.00 C ATOM 524 O LYS A 31 -3.692 12.915 1.302 1.00 0.00 O ATOM 525 CB LYS A 31 -2.304 14.815 2.921 1.00 0.00 C ATOM 526 CG LYS A 31 -1.656 14.675 4.299 1.00 0.00 C ATOM 527 CD LYS A 31 -2.737 14.407 5.348 1.00 0.00 C ATOM 528 CE LYS A 31 -2.272 13.289 6.283 1.00 0.00 C ATOM 529 NZ LYS A 31 -3.481 12.449 6.505 1.00 0.00 N ATOM 0 H LYS A 31 -2.039 15.406 0.489 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.694 13.450 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.242 15.849 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.362 14.560 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.932 13.860 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.109 15.584 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.938 15.314 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.670 14.124 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.465 12.709 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.892 13.691 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.243 11.659 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.230 13.026 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.816 12.075 5.594 1.00 0.00 H new ATOM 543 N TYR A 32 -1.974 11.550 1.412 1.00 0.00 N ATOM 544 CA TYR A 32 -2.816 10.379 1.014 1.00 0.00 C ATOM 545 C TYR A 32 -4.055 10.280 1.899 1.00 0.00 C ATOM 546 O TYR A 32 -4.198 10.988 2.877 1.00 0.00 O ATOM 547 CB TYR A 32 -1.942 9.130 1.208 1.00 0.00 C ATOM 548 CG TYR A 32 -1.221 9.200 2.536 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.928 9.026 3.730 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.156 9.446 2.567 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.259 9.097 4.956 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.827 9.518 3.792 1.00 0.00 C ATOM 553 CZ TYR A 32 0.120 9.343 4.989 1.00 0.00 C ATOM 554 OH TYR A 32 0.779 9.414 6.203 1.00 0.00 O ATOM 0 H TYR A 32 -0.991 11.339 1.581 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.155 10.480 -0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.561 8.234 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.218 9.053 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.991 8.837 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.701 9.580 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.805 8.962 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.890 9.708 3.815 1.00 0.00 H new ATOM 0 HH TYR A 32 1.731 9.590 6.049 1.00 0.00 H new ATOM 564 N ILE A 33 -4.947 9.393 1.562 1.00 0.00 N ATOM 565 CA ILE A 33 -6.179 9.219 2.376 1.00 0.00 C ATOM 566 C ILE A 33 -5.880 8.293 3.558 1.00 0.00 C ATOM 567 O ILE A 33 -6.427 8.440 4.632 1.00 0.00 O ATOM 568 CB ILE A 33 -7.181 8.577 1.418 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.529 9.572 0.309 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.452 8.201 2.177 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.936 9.090 -1.016 1.00 0.00 C ATOM 0 H ILE A 33 -4.875 8.777 0.752 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.558 10.153 2.790 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.741 7.679 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.611 9.670 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.139 10.559 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.164 7.743 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.207 7.494 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.893 9.097 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.184 9.799 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.853 9.015 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.348 8.112 -1.265 1.00 0.00 H new ATOM 583 N GLU A 34 -5.004 7.347 3.362 1.00 0.00 N ATOM 584 CA GLU A 34 -4.647 6.410 4.464 1.00 0.00 C ATOM 585 C GLU A 34 -3.535 5.465 3.998 1.00 0.00 C ATOM 586 O GLU A 34 -3.356 5.240 2.817 1.00 0.00 O ATOM 587 CB GLU A 34 -5.932 5.636 4.766 1.00 0.00 C ATOM 588 CG GLU A 34 -6.403 5.978 6.181 1.00 0.00 C ATOM 589 CD GLU A 34 -7.422 4.938 6.648 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.163 4.445 5.813 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.446 4.652 7.835 1.00 0.00 O ATOM 0 H GLU A 34 -4.517 7.182 2.481 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.277 6.927 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.704 5.892 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.755 4.564 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.553 6.000 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.850 6.972 6.196 1.00 0.00 H new ATOM 598 N LYS A 35 -2.779 4.923 4.910 1.00 0.00 N ATOM 599 CA LYS A 35 -1.673 4.006 4.508 1.00 0.00 C ATOM 600 C LYS A 35 -2.156 2.555 4.487 1.00 0.00 C ATOM 601 O LYS A 35 -2.436 1.970 5.515 1.00 0.00 O ATOM 602 CB LYS A 35 -0.593 4.187 5.576 1.00 0.00 C ATOM 603 CG LYS A 35 -0.244 5.670 5.710 1.00 0.00 C ATOM 604 CD LYS A 35 -0.842 6.217 7.006 1.00 0.00 C ATOM 605 CE LYS A 35 0.221 6.195 8.107 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.368 5.360 9.191 1.00 0.00 N ATOM 0 H LYS A 35 -2.877 5.073 5.914 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.305 4.232 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.944 3.798 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.296 3.617 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.838 5.802 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.631 6.225 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.201 7.235 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.702 5.617 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.157 5.769 7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.445 7.202 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.302 5.297 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.254 5.793 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.564 4.406 8.827 1.00 0.00 H new ATOM 620 N ILE A 36 -2.248 1.965 3.327 1.00 0.00 N ATOM 621 CA ILE A 36 -2.705 0.542 3.260 1.00 0.00 C ATOM 622 C ILE A 36 -1.525 -0.388 3.045 1.00 0.00 C ATOM 623 O ILE A 36 -1.558 -1.544 3.417 1.00 0.00 O ATOM 624 CB ILE A 36 -3.688 0.461 2.089 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.021 0.927 0.783 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.892 1.349 2.394 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.399 -0.266 0.065 1.00 0.00 C ATOM 0 H ILE A 36 -2.030 2.398 2.430 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.181 0.234 4.191 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.005 -0.574 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.758 1.407 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.255 1.671 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.600 1.299 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.377 1.004 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.560 2.379 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.928 0.070 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.649 -0.727 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.175 -0.996 -0.168 1.00 0.00 H new ATOM 639 N GLY A 37 -0.486 0.096 2.439 1.00 0.00 N ATOM 640 CA GLY A 37 0.679 -0.778 2.199 1.00 0.00 C ATOM 641 C GLY A 37 1.959 -0.201 2.802 1.00 0.00 C ATOM 642 O GLY A 37 2.051 0.966 3.127 1.00 0.00 O ATOM 0 H GLY A 37 -0.395 1.054 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.488 -1.762 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.814 -0.917 1.126 1.00 0.00 H new ATOM 646 N TYR A 38 2.966 -1.028 2.888 1.00 0.00 N ATOM 647 CA TYR A 38 4.296 -0.588 3.391 1.00 0.00 C ATOM 648 C TYR A 38 5.377 -1.277 2.545 1.00 0.00 C ATOM 649 O TYR A 38 5.316 -2.468 2.314 1.00 0.00 O ATOM 650 CB TYR A 38 4.367 -1.051 4.851 1.00 0.00 C ATOM 651 CG TYR A 38 5.767 -0.837 5.396 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.515 0.288 5.014 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.317 -1.767 6.289 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.805 0.478 5.522 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.607 -1.575 6.796 1.00 0.00 C ATOM 656 CZ TYR A 38 8.350 -0.453 6.414 1.00 0.00 C ATOM 657 OH TYR A 38 9.622 -0.266 6.915 1.00 0.00 O ATOM 0 H TYR A 38 2.919 -2.012 2.624 1.00 0.00 H new ATOM 0 HA TYR A 38 4.444 0.490 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.645 -0.498 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.098 -2.105 4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.094 1.008 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.744 -2.633 6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.380 1.343 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.029 -2.294 7.483 1.00 0.00 H new ATOM 0 HH TYR A 38 9.847 -1.003 7.521 1.00 0.00 H new ATOM 667 N TYR A 39 6.362 -0.556 2.080 1.00 0.00 N ATOM 668 CA TYR A 39 7.424 -1.212 1.256 1.00 0.00 C ATOM 669 C TYR A 39 8.813 -0.817 1.783 1.00 0.00 C ATOM 670 O TYR A 39 9.044 0.318 2.148 1.00 0.00 O ATOM 671 CB TYR A 39 7.233 -0.698 -0.175 1.00 0.00 C ATOM 672 CG TYR A 39 8.401 -1.126 -1.036 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.821 -2.459 -1.021 1.00 0.00 C ATOM 674 CD2 TYR A 39 9.058 -0.194 -1.847 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.899 -2.865 -1.816 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.136 -0.600 -2.645 1.00 0.00 C ATOM 677 CZ TYR A 39 10.556 -1.936 -2.628 1.00 0.00 C ATOM 678 OH TYR A 39 11.614 -2.338 -3.418 1.00 0.00 O ATOM 0 H TYR A 39 6.479 0.446 2.231 1.00 0.00 H new ATOM 0 HA TYR A 39 7.351 -2.299 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.303 -1.087 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.151 0.389 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.313 -3.177 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.735 0.836 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.223 -3.895 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.643 0.117 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 39 11.802 -1.648 -4.088 1.00 0.00 H new ATOM 688 N ASP A 40 9.743 -1.732 1.812 1.00 0.00 N ATOM 689 CA ASP A 40 11.114 -1.382 2.298 1.00 0.00 C ATOM 690 C ASP A 40 12.169 -2.082 1.431 1.00 0.00 C ATOM 691 O ASP A 40 12.528 -3.211 1.684 1.00 0.00 O ATOM 692 CB ASP A 40 11.174 -1.891 3.740 1.00 0.00 C ATOM 693 CG ASP A 40 12.511 -1.490 4.368 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.028 -0.448 3.999 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.994 -2.231 5.207 1.00 0.00 O ATOM 0 H ASP A 40 9.617 -2.702 1.523 1.00 0.00 H new ATOM 0 HA ASP A 40 11.312 -0.312 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.349 -1.475 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.062 -2.975 3.759 1.00 0.00 H new ATOM 700 N PRO A 41 12.630 -1.393 0.424 1.00 0.00 N ATOM 701 CA PRO A 41 13.640 -1.986 -0.486 1.00 0.00 C ATOM 702 C PRO A 41 14.973 -2.203 0.239 1.00 0.00 C ATOM 703 O PRO A 41 15.883 -1.404 0.139 1.00 0.00 O ATOM 704 CB PRO A 41 13.778 -0.942 -1.594 1.00 0.00 C ATOM 705 CG PRO A 41 13.343 0.342 -0.965 1.00 0.00 C ATOM 706 CD PRO A 41 12.283 -0.018 0.041 1.00 0.00 C ATOM 0 HA PRO A 41 13.349 -2.967 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.806 -0.879 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.156 -1.192 -2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.183 0.843 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.950 1.029 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.298 0.654 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.284 0.039 -0.390 1.00 0.00 H new ATOM 714 N ARG A 42 15.094 -3.284 0.964 1.00 0.00 N ATOM 715 CA ARG A 42 16.362 -3.558 1.688 1.00 0.00 C ATOM 716 C ARG A 42 17.158 -4.651 0.968 1.00 0.00 C ATOM 717 O ARG A 42 16.609 -5.452 0.237 1.00 0.00 O ATOM 718 CB ARG A 42 15.936 -4.032 3.079 1.00 0.00 C ATOM 719 CG ARG A 42 16.551 -3.118 4.140 1.00 0.00 C ATOM 720 CD ARG A 42 16.441 -3.781 5.515 1.00 0.00 C ATOM 721 NE ARG A 42 16.957 -2.764 6.475 1.00 0.00 N ATOM 722 CZ ARG A 42 16.763 -2.896 7.766 1.00 0.00 C ATOM 723 NH1 ARG A 42 16.099 -3.919 8.245 1.00 0.00 N ATOM 724 NH2 ARG A 42 17.234 -1.995 8.583 1.00 0.00 N ATOM 0 H ARG A 42 14.366 -3.988 1.084 1.00 0.00 H new ATOM 0 HA ARG A 42 17.004 -2.679 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.849 -4.022 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.259 -5.061 3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.596 -2.921 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.039 -2.156 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.410 -4.051 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.027 -4.699 5.559 1.00 0.00 H new ATOM 0 HE ARG A 42 17.468 -1.954 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.725 -4.626 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.956 -4.008 9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.749 -1.194 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.087 -2.091 9.588 1.00 0.00 H new ATOM 738 N LYS A 43 18.446 -4.691 1.168 1.00 0.00 N ATOM 739 CA LYS A 43 19.274 -5.734 0.495 1.00 0.00 C ATOM 740 C LYS A 43 19.721 -6.794 1.505 1.00 0.00 C ATOM 741 O LYS A 43 20.899 -6.997 1.726 1.00 0.00 O ATOM 742 CB LYS A 43 20.481 -4.981 -0.063 1.00 0.00 C ATOM 743 CG LYS A 43 21.231 -4.290 1.078 1.00 0.00 C ATOM 744 CD LYS A 43 22.727 -4.260 0.761 1.00 0.00 C ATOM 745 CE LYS A 43 23.392 -3.124 1.542 1.00 0.00 C ATOM 746 NZ LYS A 43 24.529 -2.686 0.687 1.00 0.00 N ATOM 0 H LYS A 43 18.962 -4.047 1.768 1.00 0.00 H new ATOM 0 HA LYS A 43 18.722 -6.257 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.145 -5.673 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 43 20.154 -4.243 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.856 -3.275 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.058 -4.820 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 43 23.185 -5.213 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.880 -4.118 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.694 -2.306 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.739 -3.465 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 25.036 -1.908 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 25.180 -3.484 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 24.167 -2.360 -0.232 1.00 0.00 H new ATOM 760 N THR A 44 18.793 -7.472 2.121 1.00 0.00 N ATOM 761 CA THR A 44 19.171 -8.518 3.114 1.00 0.00 C ATOM 762 C THR A 44 18.253 -9.735 2.973 1.00 0.00 C ATOM 763 O THR A 44 18.605 -10.719 2.353 1.00 0.00 O ATOM 764 CB THR A 44 18.979 -7.854 4.479 1.00 0.00 C ATOM 765 OG1 THR A 44 17.668 -7.312 4.560 1.00 0.00 O ATOM 766 CG2 THR A 44 20.008 -6.737 4.655 1.00 0.00 C ATOM 0 H THR A 44 17.790 -7.348 1.981 1.00 0.00 H new ATOM 0 HA THR A 44 20.192 -8.873 2.974 1.00 0.00 H new ATOM 0 HB THR A 44 19.115 -8.595 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.249 -7.594 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.870 -6.265 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.013 -7.155 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.876 -5.993 3.869 1.00 0.00 H new ATOM 774 N THR A 45 17.080 -9.675 3.540 1.00 0.00 N ATOM 775 CA THR A 45 16.140 -10.828 3.436 1.00 0.00 C ATOM 776 C THR A 45 14.861 -10.399 2.704 1.00 0.00 C ATOM 777 O THR A 45 14.458 -9.256 2.786 1.00 0.00 O ATOM 778 CB THR A 45 15.826 -11.217 4.881 1.00 0.00 C ATOM 779 OG1 THR A 45 15.771 -10.046 5.684 1.00 0.00 O ATOM 780 CG2 THR A 45 16.917 -12.150 5.410 1.00 0.00 C ATOM 0 H THR A 45 16.731 -8.877 4.071 1.00 0.00 H new ATOM 0 HA THR A 45 16.566 -11.660 2.875 1.00 0.00 H new ATOM 0 HB THR A 45 14.865 -11.729 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.568 -10.294 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.692 -12.426 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.958 -13.048 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.880 -11.641 5.373 1.00 0.00 H new ATOM 788 N PRO A 46 14.260 -11.334 2.007 1.00 0.00 N ATOM 789 CA PRO A 46 13.015 -11.037 1.256 1.00 0.00 C ATOM 790 C PRO A 46 11.838 -10.860 2.220 1.00 0.00 C ATOM 791 O PRO A 46 10.870 -11.593 2.175 1.00 0.00 O ATOM 792 CB PRO A 46 12.820 -12.272 0.379 1.00 0.00 C ATOM 793 CG PRO A 46 13.538 -13.371 1.095 1.00 0.00 C ATOM 794 CD PRO A 46 14.675 -12.736 1.852 1.00 0.00 C ATOM 0 HA PRO A 46 13.074 -10.115 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.763 -12.506 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.230 -12.117 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.865 -13.892 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.912 -14.112 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.828 -13.216 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.614 -12.816 1.304 1.00 0.00 H new ATOM 802 N ASP A 47 11.914 -9.892 3.092 1.00 0.00 N ATOM 803 CA ASP A 47 10.799 -9.669 4.058 1.00 0.00 C ATOM 804 C ASP A 47 10.582 -8.171 4.277 1.00 0.00 C ATOM 805 O ASP A 47 10.702 -7.670 5.378 1.00 0.00 O ATOM 806 CB ASP A 47 11.256 -10.340 5.353 1.00 0.00 C ATOM 807 CG ASP A 47 10.622 -11.728 5.459 1.00 0.00 C ATOM 808 OD1 ASP A 47 11.139 -12.643 4.838 1.00 0.00 O ATOM 809 OD2 ASP A 47 9.630 -11.853 6.159 1.00 0.00 O ATOM 0 H ASP A 47 12.699 -9.246 3.178 1.00 0.00 H new ATOM 0 HA ASP A 47 9.854 -10.077 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.343 -10.423 5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.970 -9.731 6.211 1.00 0.00 H new ATOM 814 N TRP A 48 10.263 -7.449 3.238 1.00 0.00 N ATOM 815 CA TRP A 48 10.040 -5.980 3.392 1.00 0.00 C ATOM 816 C TRP A 48 8.646 -5.582 2.896 1.00 0.00 C ATOM 817 O TRP A 48 8.194 -4.476 3.122 1.00 0.00 O ATOM 818 CB TRP A 48 11.122 -5.289 2.549 1.00 0.00 C ATOM 819 CG TRP A 48 11.318 -5.991 1.236 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.393 -6.744 0.914 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.446 -6.008 0.073 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.229 -7.234 -0.370 1.00 0.00 N ATOM 823 CE2 TRP A 48 11.042 -6.807 -0.930 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.205 -5.418 -0.202 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.425 -7.013 -2.166 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.578 -5.619 -1.444 1.00 0.00 C ATOM 827 CH2 TRP A 48 9.187 -6.416 -2.423 1.00 0.00 C ATOM 0 H TRP A 48 10.147 -7.810 2.291 1.00 0.00 H new ATOM 0 HA TRP A 48 10.100 -5.686 4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.840 -4.251 2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.062 -5.274 3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.242 -6.933 1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.902 -7.836 -0.844 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.726 -4.804 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.900 -7.628 -2.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.623 -5.157 -1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.700 -6.569 -3.375 1.00 0.00 H new ATOM 838 N LEU A 49 7.958 -6.463 2.225 1.00 0.00 N ATOM 839 CA LEU A 49 6.596 -6.117 1.726 1.00 0.00 C ATOM 840 C LEU A 49 5.555 -6.354 2.822 1.00 0.00 C ATOM 841 O LEU A 49 5.343 -7.467 3.261 1.00 0.00 O ATOM 842 CB LEU A 49 6.355 -7.067 0.556 1.00 0.00 C ATOM 843 CG LEU A 49 5.182 -6.560 -0.282 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.419 -6.920 -1.746 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.887 -7.215 0.205 1.00 0.00 C ATOM 0 H LEU A 49 8.278 -7.405 2.001 1.00 0.00 H new ATOM 0 HA LEU A 49 6.518 -5.071 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.252 -7.137 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.144 -8.070 0.926 1.00 0.00 H new ATOM 0 HG LEU A 49 5.098 -5.478 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.585 -6.561 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.343 -6.455 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.499 -8.002 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.050 -6.854 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.966 -8.297 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.722 -6.961 1.252 1.00 0.00 H new ATOM 857 N LYS A 50 4.904 -5.317 3.265 1.00 0.00 N ATOM 858 CA LYS A 50 3.877 -5.476 4.328 1.00 0.00 C ATOM 859 C LYS A 50 2.629 -4.665 3.971 1.00 0.00 C ATOM 860 O LYS A 50 2.508 -3.512 4.335 1.00 0.00 O ATOM 861 CB LYS A 50 4.538 -4.916 5.586 1.00 0.00 C ATOM 862 CG LYS A 50 4.176 -5.789 6.786 1.00 0.00 C ATOM 863 CD LYS A 50 5.454 -6.295 7.460 1.00 0.00 C ATOM 864 CE LYS A 50 6.326 -5.105 7.874 1.00 0.00 C ATOM 865 NZ LYS A 50 6.777 -5.419 9.258 1.00 0.00 N ATOM 0 H LYS A 50 5.040 -4.362 2.935 1.00 0.00 H new ATOM 0 HA LYS A 50 3.559 -6.511 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.620 -4.886 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.209 -3.891 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.580 -5.217 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.565 -6.632 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.202 -6.895 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.005 -6.942 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.174 -4.985 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.761 -4.173 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.380 -4.648 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.949 -5.521 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.318 -6.307 9.254 1.00 0.00 H new ATOM 879 N VAL A 51 1.702 -5.246 3.254 1.00 0.00 N ATOM 880 CA VAL A 51 0.481 -4.478 2.881 1.00 0.00 C ATOM 881 C VAL A 51 -0.767 -5.083 3.517 1.00 0.00 C ATOM 882 O VAL A 51 -1.045 -6.257 3.379 1.00 0.00 O ATOM 883 CB VAL A 51 0.408 -4.541 1.332 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.046 -4.639 0.830 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.008 -3.272 0.747 1.00 0.00 C ATOM 0 H VAL A 51 1.738 -6.207 2.915 1.00 0.00 H new ATOM 0 HA VAL A 51 0.530 -3.449 3.238 1.00 0.00 H new ATOM 0 HB VAL A 51 0.957 -5.429 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.053 -4.681 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.509 -5.541 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.606 -3.765 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.958 -3.314 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.448 -2.407 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.049 -3.184 1.059 1.00 0.00 H new ATOM 895 N ASP A 52 -1.559 -4.266 4.145 1.00 0.00 N ATOM 896 CA ASP A 52 -2.826 -4.774 4.705 1.00 0.00 C ATOM 897 C ASP A 52 -3.766 -4.960 3.518 1.00 0.00 C ATOM 898 O ASP A 52 -4.678 -4.182 3.317 1.00 0.00 O ATOM 899 CB ASP A 52 -3.326 -3.672 5.640 1.00 0.00 C ATOM 900 CG ASP A 52 -4.071 -4.300 6.820 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.459 -5.077 7.534 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.239 -3.991 6.990 1.00 0.00 O ATOM 0 H ASP A 52 -1.381 -3.273 4.292 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.742 -5.714 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.486 -3.079 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.986 -2.994 5.099 1.00 0.00 H new ATOM 907 N VAL A 53 -3.495 -5.960 2.701 1.00 0.00 N ATOM 908 CA VAL A 53 -4.313 -6.215 1.462 1.00 0.00 C ATOM 909 C VAL A 53 -5.791 -5.859 1.675 1.00 0.00 C ATOM 910 O VAL A 53 -6.454 -5.414 0.764 1.00 0.00 O ATOM 911 CB VAL A 53 -4.102 -7.712 1.100 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.981 -8.577 2.356 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.268 -8.236 0.248 1.00 0.00 C ATOM 0 H VAL A 53 -2.730 -6.620 2.843 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.991 -5.579 0.637 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.174 -7.776 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.834 -9.618 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.130 -8.241 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.892 -8.489 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.099 -9.285 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.199 -8.137 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.334 -7.658 -0.674 1.00 0.00 H new ATOM 923 N GLU A 54 -6.308 -6.008 2.863 1.00 0.00 N ATOM 924 CA GLU A 54 -7.726 -5.626 3.086 1.00 0.00 C ATOM 925 C GLU A 54 -7.882 -4.127 2.820 1.00 0.00 C ATOM 926 O GLU A 54 -8.719 -3.704 2.047 1.00 0.00 O ATOM 927 CB GLU A 54 -8.015 -5.957 4.549 1.00 0.00 C ATOM 928 CG GLU A 54 -9.517 -5.822 4.811 1.00 0.00 C ATOM 929 CD GLU A 54 -9.828 -6.240 6.249 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.577 -5.449 7.144 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.314 -7.345 6.432 1.00 0.00 O ATOM 0 H GLU A 54 -5.816 -6.373 3.678 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.416 -6.152 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.684 -6.970 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.458 -5.285 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.834 -4.793 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.075 -6.445 4.112 1.00 0.00 H new ATOM 938 N ARG A 55 -7.061 -3.324 3.438 1.00 0.00 N ATOM 939 CA ARG A 55 -7.132 -1.855 3.208 1.00 0.00 C ATOM 940 C ARG A 55 -6.612 -1.545 1.805 1.00 0.00 C ATOM 941 O ARG A 55 -7.152 -0.724 1.090 1.00 0.00 O ATOM 942 CB ARG A 55 -6.221 -1.240 4.271 1.00 0.00 C ATOM 943 CG ARG A 55 -7.066 -0.480 5.296 1.00 0.00 C ATOM 944 CD ARG A 55 -7.573 0.823 4.677 1.00 0.00 C ATOM 945 NE ARG A 55 -8.922 0.488 4.135 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.925 0.229 4.940 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.772 0.262 6.241 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.092 -0.066 4.437 1.00 0.00 N ATOM 0 H ARG A 55 -6.341 -3.624 4.095 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.146 -1.461 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.646 -2.022 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.504 -0.565 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.908 -1.094 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.472 -0.266 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.632 1.618 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.906 1.173 3.889 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.066 0.460 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.863 0.492 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.562 0.058 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.219 -0.094 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.877 -0.269 5.055 1.00 0.00 H new ATOM 962 N ALA A 56 -5.580 -2.227 1.391 1.00 0.00 N ATOM 963 CA ALA A 56 -5.043 -2.009 0.031 1.00 0.00 C ATOM 964 C ALA A 56 -6.088 -2.495 -0.978 1.00 0.00 C ATOM 965 O ALA A 56 -6.083 -2.108 -2.130 1.00 0.00 O ATOM 966 CB ALA A 56 -3.759 -2.845 -0.025 1.00 0.00 C ATOM 0 H ALA A 56 -5.087 -2.928 1.944 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.828 -0.966 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.297 -2.737 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.066 -2.499 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.000 -3.894 0.150 1.00 0.00 H new ATOM 972 N ARG A 57 -7.006 -3.328 -0.539 1.00 0.00 N ATOM 973 CA ARG A 57 -8.064 -3.817 -1.453 1.00 0.00 C ATOM 974 C ARG A 57 -9.235 -2.830 -1.449 1.00 0.00 C ATOM 975 O ARG A 57 -9.969 -2.715 -2.410 1.00 0.00 O ATOM 976 CB ARG A 57 -8.497 -5.175 -0.893 1.00 0.00 C ATOM 977 CG ARG A 57 -9.704 -5.696 -1.677 1.00 0.00 C ATOM 978 CD ARG A 57 -9.389 -7.086 -2.234 1.00 0.00 C ATOM 979 NE ARG A 57 -9.150 -7.937 -1.033 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.149 -8.340 -0.284 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.382 -7.993 -0.560 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.911 -9.093 0.755 1.00 0.00 N ATOM 0 H ARG A 57 -7.059 -3.684 0.415 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.716 -3.909 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.673 -5.886 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.751 -5.080 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.580 -5.742 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.945 -5.012 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.217 -7.469 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.513 -7.062 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.197 -8.209 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.577 -7.401 -1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.147 -8.315 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.954 -9.364 0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.682 -9.410 1.342 1.00 0.00 H new ATOM 996 N TYR A 58 -9.390 -2.095 -0.377 1.00 0.00 N ATOM 997 CA TYR A 58 -10.481 -1.086 -0.297 1.00 0.00 C ATOM 998 C TYR A 58 -10.277 -0.106 -1.426 1.00 0.00 C ATOM 999 O TYR A 58 -11.178 0.275 -2.149 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.245 -0.385 1.042 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.087 0.870 1.144 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.430 0.843 0.761 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.519 2.061 1.623 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.211 2.000 0.855 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.300 3.218 1.716 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.647 3.188 1.333 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.420 4.328 1.426 1.00 0.00 O ATOM 0 H TYR A 58 -8.800 -2.154 0.453 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.484 -1.507 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.491 -1.061 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.190 -0.131 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.867 -0.073 0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.481 2.084 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.249 1.976 0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.864 4.135 2.083 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.877 5.064 1.777 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.064 0.296 -1.551 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.690 1.263 -2.594 1.00 0.00 C ATOM 1019 C TRP A 59 -8.852 0.622 -3.956 1.00 0.00 C ATOM 1020 O TRP A 59 -9.605 1.086 -4.786 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.251 1.610 -2.250 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.322 2.316 -0.944 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.756 1.924 0.216 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.078 3.505 -0.655 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.103 2.836 1.204 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.920 3.833 0.707 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.870 4.327 -1.459 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.539 4.955 1.258 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.497 5.454 -0.914 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.332 5.770 0.442 1.00 0.00 C ATOM 0 H TRP A 59 -8.293 -0.012 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.307 2.161 -2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.636 0.713 -2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.805 2.244 -3.016 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.138 1.049 0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.794 2.777 2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.999 4.093 -2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.408 5.192 2.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.111 6.083 -1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.816 6.642 0.857 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.198 -0.471 -4.181 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.373 -1.168 -5.483 1.00 0.00 C ATOM 1043 C LEU A 60 -9.872 -1.411 -5.710 1.00 0.00 C ATOM 1044 O LEU A 60 -10.327 -1.564 -6.826 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.622 -2.493 -5.340 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.160 -2.303 -5.751 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.413 -3.630 -5.609 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.095 -1.837 -7.207 1.00 0.00 C ATOM 0 H LEU A 60 -7.552 -0.915 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.994 -0.595 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.678 -2.845 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.089 -3.256 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.698 -1.554 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.372 -3.495 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.458 -3.964 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.876 -4.379 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.054 -1.702 -7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.558 -2.586 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.627 -0.891 -7.310 1.00 0.00 H new ATOM 1060 N SER A 61 -10.644 -1.431 -4.645 1.00 0.00 N ATOM 1061 CA SER A 61 -12.109 -1.645 -4.787 1.00 0.00 C ATOM 1062 C SER A 61 -12.790 -0.355 -5.257 1.00 0.00 C ATOM 1063 O SER A 61 -13.861 -0.387 -5.832 1.00 0.00 O ATOM 1064 CB SER A 61 -12.603 -2.032 -3.394 1.00 0.00 C ATOM 1065 OG SER A 61 -12.769 -3.443 -3.331 1.00 0.00 O ATOM 0 H SER A 61 -10.315 -1.308 -3.687 1.00 0.00 H new ATOM 0 HA SER A 61 -12.338 -2.415 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.890 -1.704 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.548 -1.533 -3.179 1.00 0.00 H new ATOM 0 HG SER A 61 -11.958 -3.852 -2.962 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.185 0.784 -5.024 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.815 2.051 -5.468 1.00 0.00 C ATOM 1073 C VAL A 62 -12.186 2.499 -6.787 1.00 0.00 C ATOM 1074 O VAL A 62 -12.058 3.675 -7.069 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.547 3.079 -4.351 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.926 2.494 -2.988 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.064 3.483 -4.327 1.00 0.00 C ATOM 0 H VAL A 62 -11.288 0.884 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.886 1.939 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.156 3.960 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.731 3.231 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.985 2.234 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.332 1.600 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.898 4.209 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.449 2.601 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.792 3.926 -5.285 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.794 1.558 -7.591 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.168 1.898 -8.897 1.00 0.00 C ATOM 1089 C GLY A 63 -9.777 2.493 -8.666 1.00 0.00 C ATOM 1090 O GLY A 63 -9.249 3.198 -9.503 1.00 0.00 O ATOM 0 H GLY A 63 -11.880 0.560 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.093 1.005 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.793 2.610 -9.436 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.173 2.219 -7.538 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.820 2.779 -7.276 1.00 0.00 C ATOM 1096 C ALA A 64 -6.817 2.230 -8.291 1.00 0.00 C ATOM 1097 O ALA A 64 -6.792 1.048 -8.575 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.454 2.323 -5.865 1.00 0.00 C ATOM 0 H ALA A 64 -9.557 1.636 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.805 3.865 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.465 2.701 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.187 2.708 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.448 1.234 -5.825 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.995 3.075 -8.844 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.000 2.596 -9.843 1.00 0.00 C ATOM 1106 C GLN A 65 -3.595 2.567 -9.227 1.00 0.00 C ATOM 1107 O GLN A 65 -3.016 3.605 -8.968 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.066 3.615 -10.983 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.318 3.355 -11.825 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.637 4.590 -12.671 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.389 5.706 -12.257 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.184 4.437 -13.846 1.00 0.00 N ATOM 0 H GLN A 65 -5.968 4.076 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.214 1.583 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.089 4.627 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.174 3.540 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.161 2.491 -12.471 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.162 3.119 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.392 3.501 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.403 5.253 -14.417 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.082 1.379 -9.010 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.733 1.242 -8.431 1.00 0.00 C ATOM 1123 C PRO A 66 -0.679 1.357 -9.537 1.00 0.00 C ATOM 1124 O PRO A 66 -0.777 0.712 -10.562 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.742 -0.161 -7.834 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.767 -0.924 -8.618 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.699 0.072 -9.269 1.00 0.00 C ATOM 0 HA PRO A 66 -1.496 2.009 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.760 -0.628 -7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.998 -0.135 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.284 -1.543 -9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.324 -1.595 -7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.796 -0.116 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.701 0.015 -8.843 1.00 0.00 H new ATOM 1135 N THR A 67 0.321 2.173 -9.345 1.00 0.00 N ATOM 1136 CA THR A 67 1.369 2.319 -10.397 1.00 0.00 C ATOM 1137 C THR A 67 1.955 0.948 -10.750 1.00 0.00 C ATOM 1138 O THR A 67 1.521 -0.066 -10.248 1.00 0.00 O ATOM 1139 CB THR A 67 2.431 3.230 -9.781 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.531 3.343 -10.672 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.906 2.645 -8.453 1.00 0.00 C ATOM 0 H THR A 67 0.458 2.743 -8.510 1.00 0.00 H new ATOM 0 HA THR A 67 0.974 2.737 -11.323 1.00 0.00 H new ATOM 0 HB THR A 67 2.002 4.216 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.212 3.928 -10.279 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.663 3.298 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.061 2.562 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.333 1.657 -8.623 1.00 0.00 H new ATOM 1149 N ASP A 68 2.926 0.904 -11.619 1.00 0.00 N ATOM 1150 CA ASP A 68 3.519 -0.411 -12.011 1.00 0.00 C ATOM 1151 C ASP A 68 4.442 -0.965 -10.919 1.00 0.00 C ATOM 1152 O ASP A 68 5.021 -2.024 -11.069 1.00 0.00 O ATOM 1153 CB ASP A 68 4.314 -0.121 -13.285 1.00 0.00 C ATOM 1154 CG ASP A 68 3.402 0.520 -14.336 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.217 0.648 -14.071 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.905 0.873 -15.389 1.00 0.00 O ATOM 0 H ASP A 68 3.336 1.719 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 68 2.747 -1.165 -12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.147 0.544 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.740 -1.045 -13.676 1.00 0.00 H new ATOM 1161 N THR A 69 4.588 -0.272 -9.824 1.00 0.00 N ATOM 1162 CA THR A 69 5.473 -0.779 -8.737 1.00 0.00 C ATOM 1163 C THR A 69 4.636 -1.188 -7.530 1.00 0.00 C ATOM 1164 O THR A 69 4.762 -2.277 -7.008 1.00 0.00 O ATOM 1165 CB THR A 69 6.348 0.404 -8.368 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.711 1.116 -9.542 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.608 -0.075 -7.638 1.00 0.00 C ATOM 0 H THR A 69 4.134 0.622 -9.635 1.00 0.00 H new ATOM 0 HA THR A 69 6.051 -1.649 -9.049 1.00 0.00 H new ATOM 0 HB THR A 69 5.789 1.064 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.275 1.880 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.227 0.784 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.323 -0.604 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.171 -0.746 -8.287 1.00 0.00 H new ATOM 1175 N ALA A 70 3.774 -0.316 -7.090 1.00 0.00 N ATOM 1176 CA ALA A 70 2.917 -0.639 -5.927 1.00 0.00 C ATOM 1177 C ALA A 70 1.878 -1.657 -6.358 1.00 0.00 C ATOM 1178 O ALA A 70 1.409 -2.454 -5.571 1.00 0.00 O ATOM 1179 CB ALA A 70 2.255 0.681 -5.531 1.00 0.00 C ATOM 0 H ALA A 70 3.629 0.611 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 70 3.473 -1.063 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.603 0.518 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.023 1.409 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.666 1.058 -6.367 1.00 0.00 H new ATOM 1185 N ARG A 71 1.539 -1.663 -7.618 1.00 0.00 N ATOM 1186 CA ARG A 71 0.563 -2.654 -8.092 1.00 0.00 C ATOM 1187 C ARG A 71 1.217 -4.016 -7.982 1.00 0.00 C ATOM 1188 O ARG A 71 0.598 -4.991 -7.609 1.00 0.00 O ATOM 1189 CB ARG A 71 0.277 -2.307 -9.554 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.714 -3.318 -10.132 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.359 -2.737 -11.391 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.809 -3.060 -11.266 1.00 0.00 N ATOM 1193 CZ ARG A 71 -3.642 -2.802 -12.248 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -3.222 -2.254 -13.361 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.907 -3.092 -12.112 1.00 0.00 N ATOM 0 H ARG A 71 1.899 -1.025 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.365 -2.656 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.131 -1.299 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.203 -2.319 -10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.202 -4.250 -10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.480 -3.555 -9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.199 -1.661 -11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.933 -3.178 -12.292 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.158 -3.486 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.235 -2.021 -13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.882 -2.060 -14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.243 -3.516 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.560 -2.894 -12.870 1.00 0.00 H new ATOM 1209 N ARG A 72 2.487 -4.085 -8.278 1.00 0.00 N ATOM 1210 CA ARG A 72 3.172 -5.388 -8.165 1.00 0.00 C ATOM 1211 C ARG A 72 3.218 -5.791 -6.695 1.00 0.00 C ATOM 1212 O ARG A 72 3.068 -6.946 -6.347 1.00 0.00 O ATOM 1213 CB ARG A 72 4.577 -5.168 -8.726 1.00 0.00 C ATOM 1214 CG ARG A 72 4.714 -5.908 -10.059 1.00 0.00 C ATOM 1215 CD ARG A 72 5.842 -5.279 -10.880 1.00 0.00 C ATOM 1216 NE ARG A 72 5.326 -5.243 -12.281 1.00 0.00 N ATOM 1217 CZ ARG A 72 5.870 -4.454 -13.177 1.00 0.00 C ATOM 1218 NH1 ARG A 72 6.877 -3.676 -12.867 1.00 0.00 N ATOM 1219 NH2 ARG A 72 5.401 -4.443 -14.396 1.00 0.00 N ATOM 0 H ARG A 72 3.066 -3.304 -8.588 1.00 0.00 H new ATOM 0 HA ARG A 72 2.665 -6.185 -8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.761 -4.103 -8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.324 -5.529 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.924 -6.963 -9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.776 -5.859 -10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.080 -4.278 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.756 -5.868 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 72 4.541 -5.839 -12.544 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.249 -3.678 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.289 -3.068 -13.575 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.617 -5.045 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.819 -3.832 -15.098 1.00 0.00 H new ATOM 1233 N LEU A 73 3.403 -4.836 -5.826 1.00 0.00 N ATOM 1234 CA LEU A 73 3.435 -5.141 -4.381 1.00 0.00 C ATOM 1235 C LEU A 73 2.024 -5.457 -3.912 1.00 0.00 C ATOM 1236 O LEU A 73 1.823 -6.228 -3.000 1.00 0.00 O ATOM 1237 CB LEU A 73 3.975 -3.880 -3.703 1.00 0.00 C ATOM 1238 CG LEU A 73 5.320 -3.495 -4.323 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.579 -2.004 -4.100 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.437 -4.306 -3.665 1.00 0.00 C ATOM 0 H LEU A 73 3.534 -3.853 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 73 4.060 -6.002 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.264 -3.062 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.093 -4.053 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 73 5.297 -3.705 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.537 -1.731 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.785 -1.423 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.600 -1.794 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.395 -4.031 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.457 -4.096 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.256 -5.369 -3.823 1.00 0.00 H new ATOM 1252 N LEU A 74 1.038 -4.900 -4.560 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.353 -5.221 -4.178 1.00 0.00 C ATOM 1254 C LEU A 74 -0.626 -6.652 -4.629 1.00 0.00 C ATOM 1255 O LEU A 74 -1.393 -7.378 -4.034 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.228 -4.224 -4.938 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.211 -2.878 -4.214 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.993 -1.846 -5.028 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.855 -3.035 -2.834 1.00 0.00 C ATOM 0 H LEU A 74 1.141 -4.241 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.546 -5.151 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.862 -4.105 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.249 -4.599 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.181 -2.541 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.979 -0.887 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.534 -1.734 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.024 -2.180 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.844 -2.076 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.885 -3.373 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.296 -3.768 -2.253 1.00 0.00 H new ATOM 1271 N ARG A 75 0.048 -7.066 -5.671 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.109 -8.448 -6.174 1.00 0.00 C ATOM 1273 C ARG A 75 0.703 -9.377 -5.282 1.00 0.00 C ATOM 1274 O ARG A 75 0.372 -10.530 -5.087 1.00 0.00 O ATOM 1275 CB ARG A 75 0.474 -8.409 -7.589 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.052 -9.593 -8.398 1.00 0.00 C ATOM 1277 CD ARG A 75 1.114 -10.500 -8.796 1.00 0.00 C ATOM 1278 NE ARG A 75 1.472 -10.080 -10.184 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.661 -10.316 -11.188 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.489 -10.913 -10.999 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.005 -9.949 -12.392 1.00 0.00 N ATOM 0 H ARG A 75 0.707 -6.492 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.140 -8.801 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.203 -7.473 -8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.563 -8.442 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.778 -10.154 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.570 -9.237 -9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.958 -10.379 -8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.826 -11.551 -8.763 1.00 0.00 H new ATOM 0 HE ARG A 75 2.358 -9.604 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.766 -11.202 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.108 -11.089 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.899 -9.482 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.380 -10.129 -13.178 1.00 0.00 H new ATOM 1295 N GLN A 76 1.774 -8.867 -4.742 1.00 0.00 N ATOM 1296 CA GLN A 76 2.636 -9.680 -3.863 1.00 0.00 C ATOM 1297 C GLN A 76 2.093 -9.677 -2.445 1.00 0.00 C ATOM 1298 O GLN A 76 2.203 -10.642 -1.713 1.00 0.00 O ATOM 1299 CB GLN A 76 3.978 -8.976 -3.948 1.00 0.00 C ATOM 1300 CG GLN A 76 5.105 -9.957 -3.637 1.00 0.00 C ATOM 1301 CD GLN A 76 5.523 -10.665 -4.926 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.760 -9.957 -5.997 1.00 0.00 O flip ATOM 1303 NE2 GLN A 76 5.640 -11.875 -4.960 1.00 0.00 N flip ATOM 0 H GLN A 76 2.087 -7.906 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 76 2.696 -10.729 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.115 -8.557 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.006 -8.143 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.955 -9.428 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.775 -10.687 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.455 -12.429 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.923 -12.336 -5.825 1.00 0.00 H new ATOM 1312 N ALA A 77 1.489 -8.603 -2.066 1.00 0.00 N ATOM 1313 CA ALA A 77 0.903 -8.511 -0.705 1.00 0.00 C ATOM 1314 C ALA A 77 -0.224 -9.538 -0.549 1.00 0.00 C ATOM 1315 O ALA A 77 -0.682 -9.809 0.543 1.00 0.00 O ATOM 1316 CB ALA A 77 0.345 -7.093 -0.612 1.00 0.00 C ATOM 0 H ALA A 77 1.371 -7.770 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 77 1.635 -8.715 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.108 -6.944 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.152 -6.374 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.409 -6.947 -1.386 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.676 -10.114 -1.634 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.769 -11.122 -1.540 1.00 0.00 C ATOM 1324 C GLY A 78 -3.119 -10.467 -1.859 1.00 0.00 C ATOM 1325 O GLY A 78 -4.155 -10.933 -1.427 1.00 0.00 O ATOM 0 H GLY A 78 -0.335 -9.929 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.580 -11.941 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.792 -11.552 -0.539 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.128 -9.395 -2.609 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.426 -8.737 -2.936 1.00 0.00 C ATOM 1331 C VAL A 79 -5.065 -9.399 -4.159 1.00 0.00 C ATOM 1332 O VAL A 79 -6.080 -10.060 -4.059 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.098 -7.279 -3.234 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.398 -6.498 -3.429 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.309 -6.667 -2.071 1.00 0.00 C ATOM 0 H VAL A 79 -2.300 -8.951 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.135 -8.825 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.494 -7.228 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.167 -5.454 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.957 -6.924 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.998 -6.558 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.080 -5.625 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.905 -6.720 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.380 -7.220 -1.930 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.479 -9.226 -5.313 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.053 -9.845 -6.542 1.00 0.00 C ATOM 1347 C PHE A 80 -3.986 -10.668 -7.265 1.00 0.00 C ATOM 1348 O PHE A 80 -2.813 -10.365 -7.203 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.508 -8.671 -7.412 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.361 -7.708 -7.627 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.324 -8.029 -8.514 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.341 -6.485 -6.944 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.273 -7.130 -8.714 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.290 -5.587 -7.148 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.257 -5.908 -8.032 1.00 0.00 C ATOM 0 H PHE A 80 -3.628 -8.683 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.877 -10.521 -6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.869 -9.039 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.341 -8.156 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.337 -8.971 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.138 -6.236 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.473 -7.378 -9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.276 -4.644 -6.622 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.446 -5.213 -8.189 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.385 -11.705 -7.948 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.395 -12.548 -8.677 1.00 0.00 C ATOM 1367 C ARG A 81 -4.096 -13.330 -9.790 1.00 0.00 C ATOM 1368 O ARG A 81 -4.044 -12.964 -10.948 1.00 0.00 O ATOM 1369 CB ARG A 81 -2.838 -13.506 -7.622 1.00 0.00 C ATOM 1370 CG ARG A 81 -1.772 -12.790 -6.791 1.00 0.00 C ATOM 1371 CD ARG A 81 -0.663 -13.779 -6.419 1.00 0.00 C ATOM 1372 NE ARG A 81 -0.398 -13.535 -4.971 1.00 0.00 N ATOM 1373 CZ ARG A 81 0.682 -14.012 -4.396 1.00 0.00 C ATOM 1374 NH1 ARG A 81 1.547 -14.726 -5.074 1.00 0.00 N ATOM 1375 NH2 ARG A 81 0.895 -13.776 -3.131 1.00 0.00 N ATOM 0 H ARG A 81 -5.356 -12.006 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.609 -11.955 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.642 -13.858 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.409 -14.384 -8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.355 -11.956 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.219 -12.373 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.976 -14.808 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.232 -13.612 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.063 -12.991 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.386 -14.918 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.381 -15.089 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.225 -13.224 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.732 -14.143 -2.678 1.00 0.00 H new ATOM 1389 N GLN A 82 -4.755 -14.402 -9.447 1.00 0.00 N ATOM 1390 CA GLN A 82 -5.465 -15.205 -10.483 1.00 0.00 C ATOM 1391 C GLN A 82 -6.767 -15.770 -9.908 1.00 0.00 C ATOM 1392 O GLN A 82 -7.237 -15.337 -8.875 1.00 0.00 O ATOM 1393 CB GLN A 82 -4.497 -16.334 -10.846 1.00 0.00 C ATOM 1394 CG GLN A 82 -3.870 -16.047 -12.212 1.00 0.00 C ATOM 1395 CD GLN A 82 -3.599 -17.367 -12.938 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -2.462 -17.719 -13.179 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -4.605 -18.117 -13.301 1.00 0.00 N ATOM 0 H GLN A 82 -4.833 -14.757 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.736 -14.610 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.719 -16.419 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.025 -17.287 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.538 -15.423 -12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.941 -15.491 -12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.560 -17.822 -13.099 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.435 -18.998 -13.787 1.00 0.00 H new ATOM 1406 N GLU A 83 -7.352 -16.732 -10.567 1.00 0.00 N ATOM 1407 CA GLU A 83 -8.624 -17.317 -10.054 1.00 0.00 C ATOM 1408 C GLU A 83 -8.342 -18.588 -9.250 1.00 0.00 C ATOM 1409 O GLU A 83 -8.549 -19.690 -9.719 1.00 0.00 O ATOM 1410 CB GLU A 83 -9.442 -17.645 -11.306 1.00 0.00 C ATOM 1411 CG GLU A 83 -10.904 -17.255 -11.076 1.00 0.00 C ATOM 1412 CD GLU A 83 -11.687 -17.415 -12.380 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -11.653 -16.498 -13.185 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -12.308 -18.451 -12.553 1.00 0.00 O ATOM 0 H GLU A 83 -7.006 -17.138 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.151 -16.634 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.042 -17.108 -12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.369 -18.709 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.340 -17.882 -10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.966 -16.224 -10.727 1.00 0.00 H new ATOM 1421 N ALA A 84 -7.877 -18.445 -8.039 1.00 0.00 N ATOM 1422 CA ALA A 84 -7.590 -19.647 -7.206 1.00 0.00 C ATOM 1423 C ALA A 84 -8.898 -20.210 -6.645 1.00 0.00 C ATOM 1424 O ALA A 84 -9.650 -19.518 -5.989 1.00 0.00 O ATOM 1425 CB ALA A 84 -6.692 -19.147 -6.075 1.00 0.00 C ATOM 0 H ALA A 84 -7.684 -17.549 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.112 -20.444 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.438 -19.978 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.779 -18.724 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.218 -18.381 -5.505 1.00 0.00 H new ATOM 1431 N ARG A 85 -9.181 -21.457 -6.904 1.00 0.00 N ATOM 1432 CA ARG A 85 -10.446 -22.052 -6.388 1.00 0.00 C ATOM 1433 C ARG A 85 -10.152 -23.029 -5.248 1.00 0.00 C ATOM 1434 O ARG A 85 -9.281 -23.871 -5.346 1.00 0.00 O ATOM 1435 CB ARG A 85 -11.054 -22.790 -7.581 1.00 0.00 C ATOM 1436 CG ARG A 85 -11.627 -21.775 -8.570 1.00 0.00 C ATOM 1437 CD ARG A 85 -13.102 -22.093 -8.827 1.00 0.00 C ATOM 1438 NE ARG A 85 -13.086 -23.246 -9.774 1.00 0.00 N ATOM 1439 CZ ARG A 85 -12.701 -23.087 -11.019 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -12.313 -21.915 -11.459 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -12.700 -24.112 -11.828 1.00 0.00 N ATOM 0 H ARG A 85 -8.593 -22.088 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.121 -21.295 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.295 -23.401 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.839 -23.467 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.525 -20.765 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.068 -21.807 -9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.618 -22.349 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.622 -21.236 -9.256 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.378 -24.168 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.307 -21.111 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.017 -21.807 -12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.997 -25.028 -11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.402 -23.997 -12.797 1.00 0.00 H new ATOM 1455 N GLU A 86 -10.877 -22.925 -4.170 1.00 0.00 N ATOM 1456 CA GLU A 86 -10.648 -23.846 -3.025 1.00 0.00 C ATOM 1457 C GLU A 86 -10.925 -25.289 -3.449 1.00 0.00 C ATOM 1458 O GLU A 86 -10.136 -26.181 -3.206 1.00 0.00 O ATOM 1459 CB GLU A 86 -11.644 -23.403 -1.954 1.00 0.00 C ATOM 1460 CG GLU A 86 -11.099 -23.760 -0.571 1.00 0.00 C ATOM 1461 CD GLU A 86 -11.896 -23.014 0.498 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -11.639 -21.837 0.688 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -12.750 -23.633 1.111 1.00 0.00 O ATOM 0 H GLU A 86 -11.620 -22.240 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.620 -23.810 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.814 -22.329 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.606 -23.889 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.168 -24.835 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.044 -23.495 -0.504 1.00 0.00 H new ATOM 1470 N GLY A 87 -12.042 -25.525 -4.080 1.00 0.00 N ATOM 1471 CA GLY A 87 -12.371 -26.910 -4.519 1.00 0.00 C ATOM 1472 C GLY A 87 -11.230 -27.462 -5.374 1.00 0.00 C ATOM 1473 O GLY A 87 -10.297 -28.057 -4.872 1.00 0.00 O ATOM 0 H GLY A 87 -12.741 -24.819 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.530 -27.549 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.300 -26.910 -5.090 1.00 0.00 H new ATOM 1477 N ALA A 88 -11.296 -27.270 -6.663 1.00 0.00 N ATOM 1478 CA ALA A 88 -10.212 -27.785 -7.548 1.00 0.00 C ATOM 1479 C ALA A 88 -9.168 -26.694 -7.800 1.00 0.00 C ATOM 1480 O ALA A 88 -8.834 -25.993 -6.859 1.00 0.00 O ATOM 1481 CB ALA A 88 -10.914 -28.167 -8.851 1.00 0.00 C ATOM 1482 OXT ALA A 88 -8.721 -26.580 -8.929 1.00 0.00 O ATOM 0 H ALA A 88 -12.052 -26.780 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.685 -28.630 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.182 -28.557 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.665 -28.930 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.396 -27.287 -9.276 1.00 0.00 H new TER 1488 ALA A 88