USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 33 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -107:sc= 0.0283 (180deg=0) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.351) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.0167 K(o=0.017,f=-1.1) USER MOD Single : A 1 ARG N :NH3+ -151:sc=-0.000795 (180deg=-0.964) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -45:sc= 0.254 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 121:sc= 0.475 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 165:sc= 0 (180deg=-0.0687) USER MOD Single : A 38 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.096) USER MOD Single : A 41 MET CE :methyl 174:sc= -4.15! (180deg=-4.39!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.462 1.300 9.779 1.00 0.00 N ATOM 2 CA ARG A 1 -12.492 1.485 11.248 1.00 0.00 C ATOM 3 C ARG A 1 -11.339 2.452 11.623 1.00 0.00 C ATOM 4 O ARG A 1 -10.162 2.098 11.491 1.00 0.00 O ATOM 5 CB ARG A 1 -12.389 0.138 12.018 1.00 0.00 C ATOM 6 CG ARG A 1 -13.643 -0.770 12.019 1.00 0.00 C ATOM 7 CD ARG A 1 -13.847 -1.616 10.746 1.00 0.00 C ATOM 8 NE ARG A 1 -15.040 -2.488 10.869 1.00 0.00 N ATOM 9 CZ ARG A 1 -15.392 -3.433 9.974 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.697 -3.709 8.872 1.00 0.00 N ATOM 11 NH2 ARG A 1 -16.492 -4.127 10.203 1.00 0.00 N ATOM 0 H1 ARG A 1 -13.423 1.100 9.435 1.00 0.00 H new ATOM 0 H2 ARG A 1 -12.106 2.166 9.327 1.00 0.00 H new ATOM 0 H3 ARG A 1 -11.837 0.504 9.542 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.451 1.910 11.543 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.560 -0.430 11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -12.130 0.359 13.054 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -13.584 -1.441 12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -14.524 -0.144 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -13.960 -0.959 9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -12.963 -2.228 10.567 1.00 0.00 H new ATOM 0 HE ARG A 1 -15.636 -2.364 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.843 -3.192 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -15.019 -4.438 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -17.048 -3.941 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -16.786 -4.849 9.545 1.00 0.00 H new ATOM 24 N ARG A 2 -11.699 3.668 12.091 1.00 0.00 N ATOM 25 CA ARG A 2 -10.742 4.748 12.486 1.00 0.00 C ATOM 26 C ARG A 2 -10.157 5.548 11.281 1.00 0.00 C ATOM 27 O ARG A 2 -10.368 6.763 11.204 1.00 0.00 O ATOM 28 CB ARG A 2 -9.693 4.338 13.568 1.00 0.00 C ATOM 29 CG ARG A 2 -8.890 5.481 14.243 1.00 0.00 C ATOM 30 CD ARG A 2 -9.691 6.513 15.066 1.00 0.00 C ATOM 31 NE ARG A 2 -10.347 5.913 16.255 1.00 0.00 N ATOM 32 CZ ARG A 2 -11.180 6.569 17.084 1.00 0.00 C ATOM 33 NH1 ARG A 2 -11.518 7.850 16.940 1.00 0.00 N ATOM 34 NH2 ARG A 2 -11.694 5.903 18.101 1.00 0.00 N ATOM 0 H ARG A 2 -12.675 3.939 12.210 1.00 0.00 H new ATOM 0 HA ARG A 2 -11.366 5.471 13.012 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.212 3.782 14.349 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.982 3.652 13.107 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.146 5.030 14.899 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.346 6.017 13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.023 7.311 15.389 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.449 6.970 14.430 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.152 4.933 16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.139 8.393 16.164 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.156 8.287 17.605 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.456 4.921 18.240 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.329 6.370 18.748 1.00 0.00 H new ATOM 47 N ARG A 3 -9.427 4.881 10.364 1.00 0.00 N ATOM 48 CA ARG A 3 -8.801 5.521 9.180 1.00 0.00 C ATOM 49 C ARG A 3 -9.864 5.942 8.120 1.00 0.00 C ATOM 50 O ARG A 3 -10.588 5.103 7.575 1.00 0.00 O ATOM 51 CB ARG A 3 -7.761 4.515 8.610 1.00 0.00 C ATOM 52 CG ARG A 3 -6.891 4.974 7.415 1.00 0.00 C ATOM 53 CD ARG A 3 -5.742 5.959 7.727 1.00 0.00 C ATOM 54 NE ARG A 3 -6.179 7.364 7.933 1.00 0.00 N ATOM 55 CZ ARG A 3 -6.223 8.316 6.981 1.00 0.00 C ATOM 56 NH1 ARG A 3 -5.879 8.116 5.710 1.00 0.00 N ATOM 57 NH2 ARG A 3 -6.638 9.520 7.329 1.00 0.00 N ATOM 0 H ARG A 3 -9.252 3.878 10.421 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.302 6.447 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.091 4.230 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.297 3.615 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.461 4.088 6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.545 5.438 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.220 5.618 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.023 5.931 6.908 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.470 7.630 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.558 7.196 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.936 8.882 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.913 9.706 8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.684 10.265 6.633 1.00 0.00 H new ATOM 70 N LYS A 4 -9.923 7.256 7.849 1.00 0.00 N ATOM 71 CA LYS A 4 -10.845 7.856 6.845 1.00 0.00 C ATOM 72 C LYS A 4 -10.213 7.829 5.416 1.00 0.00 C ATOM 73 O LYS A 4 -8.986 7.772 5.269 1.00 0.00 O ATOM 74 CB LYS A 4 -11.154 9.300 7.341 1.00 0.00 C ATOM 75 CG LYS A 4 -12.281 10.045 6.590 1.00 0.00 C ATOM 76 CD LYS A 4 -12.596 11.430 7.190 1.00 0.00 C ATOM 77 CE LYS A 4 -13.711 12.162 6.422 1.00 0.00 C ATOM 78 NZ LYS A 4 -13.986 13.488 7.002 1.00 0.00 N ATOM 0 H LYS A 4 -9.333 7.944 8.318 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.771 7.287 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.418 9.252 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.242 9.892 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.995 10.165 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.184 9.435 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.893 11.312 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.693 12.040 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.421 12.274 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.620 11.561 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.742 13.954 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.286 13.379 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.124 14.069 6.964 1.00 0.00 H new ATOM 91 N LYS A 5 -11.050 7.889 4.355 1.00 0.00 N ATOM 92 CA LYS A 5 -10.554 7.956 2.950 1.00 0.00 C ATOM 93 C LYS A 5 -9.985 9.373 2.651 1.00 0.00 C ATOM 94 O LYS A 5 -10.703 10.371 2.544 1.00 0.00 O ATOM 95 CB LYS A 5 -11.550 7.449 1.885 1.00 0.00 C ATOM 96 CG LYS A 5 -12.945 8.101 1.792 1.00 0.00 C ATOM 97 CD LYS A 5 -13.646 7.846 0.442 1.00 0.00 C ATOM 98 CE LYS A 5 -14.220 6.432 0.201 1.00 0.00 C ATOM 99 NZ LYS A 5 -13.203 5.426 -0.166 1.00 0.00 N ATOM 0 H LYS A 5 -12.067 7.893 4.438 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.737 7.239 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.072 7.555 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.696 6.382 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.572 7.719 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.848 9.176 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.461 8.563 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.934 8.062 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.735 6.101 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.967 6.484 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.661 4.635 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.493 5.861 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.738 5.073 0.694 1.00 0.00 H new ATOM 112 N ARG A 6 -8.649 9.407 2.603 1.00 0.00 N ATOM 113 CA ARG A 6 -7.845 10.640 2.435 1.00 0.00 C ATOM 114 C ARG A 6 -6.501 10.272 1.746 1.00 0.00 C ATOM 115 O ARG A 6 -6.062 9.117 1.668 1.00 0.00 O ATOM 116 CB ARG A 6 -7.677 11.298 3.844 1.00 0.00 C ATOM 117 CG ARG A 6 -6.950 12.659 3.935 1.00 0.00 C ATOM 118 CD ARG A 6 -6.989 13.258 5.353 1.00 0.00 C ATOM 119 NE ARG A 6 -6.214 14.520 5.416 1.00 0.00 N ATOM 120 CZ ARG A 6 -5.915 15.180 6.552 1.00 0.00 C ATOM 121 NH1 ARG A 6 -6.298 14.785 7.765 1.00 0.00 N ATOM 122 NH2 ARG A 6 -5.197 16.284 6.457 1.00 0.00 N ATOM 0 H ARG A 6 -8.077 8.566 2.681 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.330 11.373 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.671 11.423 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.142 10.592 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.912 12.534 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.408 13.359 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.022 13.446 5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.582 12.541 6.066 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.883 14.917 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.852 13.936 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.037 15.332 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.886 16.613 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.953 16.808 7.298 1.00 0.00 H new ATOM 135 N THR A 7 -5.854 11.334 1.255 1.00 0.00 N ATOM 136 CA THR A 7 -4.485 11.265 0.657 1.00 0.00 C ATOM 137 C THR A 7 -3.432 11.752 1.703 1.00 0.00 C ATOM 138 O THR A 7 -2.714 12.737 1.505 1.00 0.00 O ATOM 139 CB THR A 7 -4.361 11.794 -0.793 1.00 0.00 C ATOM 140 OG1 THR A 7 -3.002 11.975 -1.181 1.00 0.00 O ATOM 141 CG2 THR A 7 -5.084 13.104 -1.003 1.00 0.00 C ATOM 0 H THR A 7 -6.251 12.273 1.253 1.00 0.00 H new ATOM 0 HA THR A 7 -4.244 10.221 0.458 1.00 0.00 H new ATOM 0 HB THR A 7 -4.826 11.026 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.512 12.420 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.962 13.425 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.144 12.973 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.668 13.860 -0.337 1.00 0.00 H new ATOM 149 N SER A 8 -3.372 11.011 2.822 1.00 0.00 N ATOM 150 CA SER A 8 -2.441 11.265 3.943 1.00 0.00 C ATOM 151 C SER A 8 -2.111 9.886 4.569 1.00 0.00 C ATOM 152 O SER A 8 -3.002 9.113 4.943 1.00 0.00 O ATOM 153 CB SER A 8 -3.042 12.213 5.006 1.00 0.00 C ATOM 154 OG SER A 8 -3.237 13.519 4.476 1.00 0.00 O ATOM 0 H SER A 8 -3.977 10.205 2.979 1.00 0.00 H new ATOM 0 HA SER A 8 -1.545 11.763 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.994 11.814 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.379 12.263 5.870 1.00 0.00 H new ATOM 0 HG SER A 8 -3.620 14.099 5.167 1.00 0.00 H new ATOM 160 N ILE A 9 -0.808 9.621 4.741 1.00 0.00 N ATOM 161 CA ILE A 9 -0.301 8.332 5.275 1.00 0.00 C ATOM 162 C ILE A 9 -0.312 8.356 6.833 1.00 0.00 C ATOM 163 O ILE A 9 0.195 9.290 7.465 1.00 0.00 O ATOM 164 CB ILE A 9 1.128 8.127 4.649 1.00 0.00 C ATOM 165 CG1 ILE A 9 1.095 7.797 3.124 1.00 0.00 C ATOM 166 CG2 ILE A 9 2.055 7.144 5.400 1.00 0.00 C ATOM 167 CD1 ILE A 9 0.419 6.488 2.673 1.00 0.00 C ATOM 0 H ILE A 9 -0.070 10.288 4.516 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.930 7.485 5.003 1.00 0.00 H new ATOM 0 HB ILE A 9 1.580 9.110 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.594 8.621 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.124 7.780 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.012 7.079 4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.216 7.501 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.591 6.158 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.478 6.403 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.927 5.639 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.627 6.494 2.980 1.00 0.00 H new ATOM 179 N GLU A 10 -0.877 7.285 7.421 1.00 0.00 N ATOM 180 CA GLU A 10 -0.893 7.060 8.878 1.00 0.00 C ATOM 181 C GLU A 10 -0.087 5.724 9.062 1.00 0.00 C ATOM 182 O GLU A 10 0.958 5.499 8.437 1.00 0.00 O ATOM 183 CB GLU A 10 -2.405 7.109 9.285 1.00 0.00 C ATOM 184 CG GLU A 10 -2.701 7.267 10.792 1.00 0.00 C ATOM 185 CD GLU A 10 -4.204 7.224 11.091 1.00 0.00 C ATOM 186 OE1 GLU A 10 -4.787 6.216 11.490 1.00 0.00 O ATOM 187 OE2 GLU A 10 -4.818 8.427 10.848 1.00 0.00 O ATOM 0 H GLU A 10 -1.339 6.545 6.893 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.415 7.782 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.876 7.937 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.883 6.194 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.199 6.473 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.288 8.212 11.145 1.00 0.00 H new ATOM 195 N THR A 11 -0.516 4.899 10.018 1.00 0.00 N ATOM 196 CA THR A 11 0.041 3.535 10.264 1.00 0.00 C ATOM 197 C THR A 11 -0.686 2.450 9.435 1.00 0.00 C ATOM 198 O THR A 11 -0.109 1.894 8.500 1.00 0.00 O ATOM 199 CB THR A 11 0.152 3.172 11.778 1.00 0.00 C ATOM 200 OG1 THR A 11 -1.069 3.423 12.472 1.00 0.00 O ATOM 201 CG2 THR A 11 1.285 3.900 12.503 1.00 0.00 C ATOM 0 H THR A 11 -1.269 5.147 10.660 1.00 0.00 H new ATOM 0 HA THR A 11 1.070 3.563 9.905 1.00 0.00 H new ATOM 0 HB THR A 11 0.376 2.105 11.789 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.964 3.183 13.416 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.300 3.598 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.237 3.646 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.126 4.976 12.438 1.00 0.00 H new ATOM 209 N ASN A 12 -1.948 2.155 9.804 1.00 0.00 N ATOM 210 CA ASN A 12 -2.745 1.058 9.195 1.00 0.00 C ATOM 211 C ASN A 12 -3.046 1.147 7.667 1.00 0.00 C ATOM 212 O ASN A 12 -3.170 0.076 7.065 1.00 0.00 O ATOM 213 CB ASN A 12 -3.941 0.733 10.120 1.00 0.00 C ATOM 214 CG ASN A 12 -4.830 -0.466 9.722 1.00 0.00 C ATOM 215 OD1 ASN A 12 -5.849 -0.306 9.052 1.00 0.00 O ATOM 216 ND2 ASN A 12 -4.462 -1.677 10.114 1.00 0.00 N ATOM 0 H ASN A 12 -2.448 2.666 10.531 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.100 0.181 9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.554 0.550 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.574 1.619 10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.026 -2.488 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.615 -1.798 10.669 1.00 0.00 H new ATOM 223 N ILE A 13 -3.154 2.336 7.019 1.00 0.00 N ATOM 224 CA ILE A 13 -3.210 2.388 5.525 1.00 0.00 C ATOM 225 C ILE A 13 -1.791 2.053 4.925 1.00 0.00 C ATOM 226 O ILE A 13 -1.702 1.139 4.110 1.00 0.00 O ATOM 227 CB ILE A 13 -3.994 3.595 4.883 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.876 3.154 3.707 1.00 0.00 C ATOM 229 CG2 ILE A 13 -3.125 4.810 4.496 1.00 0.00 C ATOM 230 CD1 ILE A 13 -4.095 2.553 2.538 1.00 0.00 C ATOM 0 H ILE A 13 -3.203 3.243 7.482 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.884 1.594 5.202 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.637 3.947 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.599 2.421 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.443 4.013 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.757 5.586 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.628 5.200 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.375 4.504 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.788 2.266 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.391 3.291 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.549 1.673 2.879 1.00 0.00 H new ATOM 242 N ARG A 14 -0.691 2.708 5.360 1.00 0.00 N ATOM 243 CA ARG A 14 0.708 2.389 4.917 1.00 0.00 C ATOM 244 C ARG A 14 1.161 0.900 5.028 1.00 0.00 C ATOM 245 O ARG A 14 1.883 0.425 4.158 1.00 0.00 O ATOM 246 CB ARG A 14 1.658 3.210 5.848 1.00 0.00 C ATOM 247 CG ARG A 14 3.128 3.415 5.408 1.00 0.00 C ATOM 248 CD ARG A 14 3.371 4.092 4.045 1.00 0.00 C ATOM 249 NE ARG A 14 4.822 4.351 3.857 1.00 0.00 N ATOM 250 CZ ARG A 14 5.348 5.388 3.173 1.00 0.00 C ATOM 251 NH1 ARG A 14 4.627 6.327 2.565 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.663 5.474 3.096 1.00 0.00 N ATOM 0 H ARG A 14 -0.736 3.476 6.030 1.00 0.00 H new ATOM 0 HA ARG A 14 0.745 2.628 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.214 4.195 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.669 2.723 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.629 4.008 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.614 2.440 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.000 3.455 3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.816 5.029 3.991 1.00 0.00 H new ATOM 0 HE ARG A 14 5.474 3.690 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.608 6.290 2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.093 7.084 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.247 4.769 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.095 6.245 2.587 1.00 0.00 H new ATOM 265 N VAL A 15 0.739 0.232 6.112 1.00 0.00 N ATOM 266 CA VAL A 15 1.034 -1.196 6.427 1.00 0.00 C ATOM 267 C VAL A 15 0.280 -2.183 5.487 1.00 0.00 C ATOM 268 O VAL A 15 0.883 -3.095 4.925 1.00 0.00 O ATOM 269 CB VAL A 15 0.818 -1.421 7.971 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.565 -1.924 8.420 1.00 0.00 C ATOM 271 CG2 VAL A 15 1.820 -2.396 8.574 1.00 0.00 C ATOM 0 H VAL A 15 0.162 0.676 6.826 1.00 0.00 H new ATOM 0 HA VAL A 15 2.078 -1.426 6.216 1.00 0.00 H new ATOM 0 HB VAL A 15 0.946 -0.401 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.577 -2.036 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.328 -1.206 8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.771 -2.887 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.621 -2.510 9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.727 -3.364 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.831 -2.013 8.433 1.00 0.00 H new ATOM 281 N ALA A 16 -1.039 -1.971 5.344 1.00 0.00 N ATOM 282 CA ALA A 16 -1.899 -2.685 4.370 1.00 0.00 C ATOM 283 C ALA A 16 -1.505 -2.397 2.889 1.00 0.00 C ATOM 284 O ALA A 16 -1.593 -3.322 2.083 1.00 0.00 O ATOM 285 CB ALA A 16 -3.367 -2.332 4.662 1.00 0.00 C ATOM 0 H ALA A 16 -1.550 -1.291 5.907 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.753 -3.758 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.014 -2.850 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.620 -2.640 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.509 -1.256 4.563 1.00 0.00 H new ATOM 291 N LEU A 17 -1.053 -1.167 2.532 1.00 0.00 N ATOM 292 CA LEU A 17 -0.423 -0.890 1.212 1.00 0.00 C ATOM 293 C LEU A 17 0.963 -1.574 1.068 1.00 0.00 C ATOM 294 O LEU A 17 1.321 -1.955 -0.040 1.00 0.00 O ATOM 295 CB LEU A 17 -0.296 0.640 0.973 1.00 0.00 C ATOM 296 CG LEU A 17 -1.587 1.426 0.626 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.425 2.774 -0.103 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.765 0.646 -0.008 1.00 0.00 C ATOM 0 H LEU A 17 -1.113 -0.350 3.140 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.078 -1.315 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.136 1.085 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.418 0.795 0.164 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.864 1.639 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.407 3.212 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.832 3.451 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.921 2.614 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.595 1.328 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.442 0.202 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.088 -0.142 0.673 1.00 0.00 H new ATOM 310 N GLU A 18 1.744 -1.756 2.144 1.00 0.00 N ATOM 311 CA GLU A 18 2.995 -2.544 2.123 1.00 0.00 C ATOM 312 C GLU A 18 2.677 -4.038 1.844 1.00 0.00 C ATOM 313 O GLU A 18 3.010 -4.532 0.763 1.00 0.00 O ATOM 314 CB GLU A 18 3.896 -2.083 3.316 1.00 0.00 C ATOM 315 CG GLU A 18 4.666 -3.084 4.205 1.00 0.00 C ATOM 316 CD GLU A 18 4.265 -3.092 5.680 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.681 -2.271 6.496 1.00 0.00 O ATOM 318 OE2 GLU A 18 3.403 -4.115 5.980 1.00 0.00 O ATOM 0 H GLU A 18 1.528 -1.361 3.059 1.00 0.00 H new ATOM 0 HA GLU A 18 3.663 -2.355 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.637 -1.399 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.259 -1.500 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.524 -4.087 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.731 -2.861 4.136 1.00 0.00 H new ATOM 326 N LYS A 19 1.964 -4.726 2.738 1.00 0.00 N ATOM 327 CA LYS A 19 1.662 -6.173 2.589 1.00 0.00 C ATOM 328 C LYS A 19 0.791 -6.673 1.392 1.00 0.00 C ATOM 329 O LYS A 19 0.863 -7.849 1.023 1.00 0.00 O ATOM 330 CB LYS A 19 1.152 -6.569 4.005 1.00 0.00 C ATOM 331 CG LYS A 19 1.034 -8.062 4.354 1.00 0.00 C ATOM 332 CD LYS A 19 0.546 -8.237 5.811 1.00 0.00 C ATOM 333 CE LYS A 19 0.454 -9.716 6.226 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.013 -9.862 7.615 1.00 0.00 N ATOM 0 H LYS A 19 1.576 -4.310 3.585 1.00 0.00 H new ATOM 0 HA LYS A 19 2.561 -6.699 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.817 -6.110 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.169 -6.119 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.339 -8.548 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.000 -8.550 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.226 -7.715 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.433 -7.770 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.227 -10.241 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.432 -10.186 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.063 -10.871 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.650 -9.382 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.957 -9.436 7.711 1.00 0.00 H new ATOM 347 N SER A 20 0.033 -5.767 0.769 1.00 0.00 N ATOM 348 CA SER A 20 -0.628 -5.960 -0.554 1.00 0.00 C ATOM 349 C SER A 20 0.288 -6.405 -1.726 1.00 0.00 C ATOM 350 O SER A 20 -0.047 -7.319 -2.484 1.00 0.00 O ATOM 351 CB SER A 20 -1.291 -4.618 -0.827 1.00 0.00 C ATOM 352 OG SER A 20 -0.420 -3.527 -0.864 1.00 0.00 O ATOM 0 H SER A 20 -0.152 -4.848 1.170 1.00 0.00 H new ATOM 0 HA SER A 20 -1.320 -6.800 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.817 -4.677 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.043 -4.438 -0.059 1.00 0.00 H new ATOM 0 HG SER A 20 -0.486 -3.085 -1.736 1.00 0.00 H new ATOM 358 N PHE A 21 1.444 -5.741 -1.823 1.00 0.00 N ATOM 359 CA PHE A 21 2.532 -6.069 -2.759 1.00 0.00 C ATOM 360 C PHE A 21 3.165 -7.482 -2.488 1.00 0.00 C ATOM 361 O PHE A 21 3.397 -8.261 -3.411 1.00 0.00 O ATOM 362 CB PHE A 21 3.532 -4.894 -2.577 1.00 0.00 C ATOM 363 CG PHE A 21 4.643 -4.866 -3.661 1.00 0.00 C ATOM 364 CD1 PHE A 21 5.719 -5.751 -3.575 1.00 0.00 C ATOM 365 CD2 PHE A 21 4.594 -3.938 -4.707 1.00 0.00 C ATOM 366 CE1 PHE A 21 6.750 -5.687 -4.491 1.00 0.00 C ATOM 367 CE2 PHE A 21 5.638 -3.876 -5.629 1.00 0.00 C ATOM 368 CZ PHE A 21 6.719 -4.749 -5.511 1.00 0.00 C ATOM 0 H PHE A 21 1.658 -4.935 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 21 2.190 -6.158 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.985 -3.952 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.995 -4.968 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.745 -6.490 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.749 -3.271 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.583 -6.370 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.610 -3.154 -6.432 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.535 -4.694 -6.217 1.00 0.00 H new ATOM 378 N LEU A 22 3.450 -7.781 -1.213 1.00 0.00 N ATOM 379 CA LEU A 22 3.980 -9.093 -0.733 1.00 0.00 C ATOM 380 C LEU A 22 3.103 -10.362 -0.998 1.00 0.00 C ATOM 381 O LEU A 22 3.645 -11.471 -1.027 1.00 0.00 O ATOM 382 CB LEU A 22 4.362 -8.974 0.753 1.00 0.00 C ATOM 383 CG LEU A 22 5.380 -7.843 1.064 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.624 -7.781 2.556 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.725 -7.958 0.322 1.00 0.00 C ATOM 0 H LEU A 22 3.320 -7.109 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 22 4.854 -9.283 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.457 -8.802 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.780 -9.924 1.086 1.00 0.00 H new ATOM 0 HG LEU A 22 4.923 -6.924 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.338 -6.987 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.685 -7.576 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.025 -8.735 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.368 -7.124 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.209 -8.897 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.550 -7.934 -0.754 1.00 0.00 H new ATOM 397 N GLU A 23 1.783 -10.198 -1.233 1.00 0.00 N ATOM 398 CA GLU A 23 0.862 -11.296 -1.634 1.00 0.00 C ATOM 399 C GLU A 23 1.003 -11.487 -3.181 1.00 0.00 C ATOM 400 O GLU A 23 1.443 -12.547 -3.632 1.00 0.00 O ATOM 401 CB GLU A 23 -0.576 -10.928 -1.156 1.00 0.00 C ATOM 402 CG GLU A 23 -1.640 -12.039 -1.292 1.00 0.00 C ATOM 403 CD GLU A 23 -1.435 -13.230 -0.349 1.00 0.00 C ATOM 404 OE1 GLU A 23 -1.833 -13.248 0.816 1.00 0.00 O ATOM 405 OE2 GLU A 23 -0.761 -14.261 -0.953 1.00 0.00 O ATOM 0 H GLU A 23 1.318 -9.294 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 23 1.102 -12.253 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.524 -10.629 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.913 -10.058 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.624 -11.608 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.641 -12.401 -2.320 1.00 0.00 H new ATOM 413 N ASN A 24 0.660 -10.442 -3.952 1.00 0.00 N ATOM 414 CA ASN A 24 0.930 -10.344 -5.409 1.00 0.00 C ATOM 415 C ASN A 24 1.541 -8.945 -5.651 1.00 0.00 C ATOM 416 O ASN A 24 1.048 -7.925 -5.157 1.00 0.00 O ATOM 417 CB ASN A 24 -0.254 -10.608 -6.369 1.00 0.00 C ATOM 418 CG ASN A 24 -1.639 -10.021 -6.086 1.00 0.00 C ATOM 419 OD1 ASN A 24 -1.893 -9.279 -5.136 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.564 -10.368 -6.956 1.00 0.00 N ATOM 0 H ASN A 24 0.178 -9.623 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 24 1.605 -11.162 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.048 -10.254 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.373 -11.689 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.518 -10.021 -6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.327 -10.984 -7.734 1.00 0.00 H new ATOM 427 N GLN A 25 2.639 -8.939 -6.415 1.00 0.00 N ATOM 428 CA GLN A 25 3.393 -7.686 -6.755 1.00 0.00 C ATOM 429 C GLN A 25 2.731 -6.781 -7.841 1.00 0.00 C ATOM 430 O GLN A 25 2.823 -5.554 -7.740 1.00 0.00 O ATOM 431 CB GLN A 25 4.863 -7.968 -7.125 1.00 0.00 C ATOM 432 CG GLN A 25 5.726 -8.680 -6.054 1.00 0.00 C ATOM 433 CD GLN A 25 7.241 -8.708 -6.335 1.00 0.00 C ATOM 434 OE1 GLN A 25 7.758 -8.150 -7.304 1.00 0.00 O ATOM 435 NE2 GLN A 25 7.995 -9.353 -5.459 1.00 0.00 N ATOM 0 H GLN A 25 3.042 -9.784 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 25 3.358 -7.114 -5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.875 -8.575 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.340 -7.019 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.561 -8.190 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.374 -9.707 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.565 -9.814 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.007 -9.389 -5.585 1.00 0.00 H new ATOM 444 N LYS A 26 2.063 -7.391 -8.838 1.00 0.00 N ATOM 445 CA LYS A 26 1.251 -6.685 -9.867 1.00 0.00 C ATOM 446 C LYS A 26 -0.283 -6.827 -9.625 1.00 0.00 C ATOM 447 O LYS A 26 -0.951 -7.469 -10.444 1.00 0.00 O ATOM 448 CB LYS A 26 1.764 -7.145 -11.266 1.00 0.00 C ATOM 449 CG LYS A 26 1.262 -6.307 -12.464 1.00 0.00 C ATOM 450 CD LYS A 26 1.801 -6.808 -13.817 1.00 0.00 C ATOM 451 CE LYS A 26 1.306 -5.959 -15.002 1.00 0.00 C ATOM 452 NZ LYS A 26 1.833 -6.463 -16.283 1.00 0.00 N ATOM 0 H LYS A 26 2.068 -8.404 -8.960 1.00 0.00 H new ATOM 0 HA LYS A 26 1.388 -5.606 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.854 -7.123 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.467 -8.182 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.172 -6.327 -12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.559 -5.268 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.891 -6.796 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.496 -7.844 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.216 -5.967 -15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.614 -4.923 -14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.481 -5.869 -17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.872 -6.432 -16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.518 -7.444 -16.426 1.00 0.00 H new ATOM 465 N PRO A 27 -0.909 -6.195 -8.580 1.00 0.00 N ATOM 466 CA PRO A 27 -2.377 -6.062 -8.498 1.00 0.00 C ATOM 467 C PRO A 27 -2.639 -4.631 -9.070 1.00 0.00 C ATOM 468 O PRO A 27 -2.907 -3.728 -8.269 1.00 0.00 O ATOM 469 CB PRO A 27 -2.566 -6.193 -6.966 1.00 0.00 C ATOM 470 CG PRO A 27 -1.396 -5.411 -6.374 1.00 0.00 C ATOM 471 CD PRO A 27 -0.255 -5.696 -7.342 1.00 0.00 C ATOM 0 HA PRO A 27 -3.034 -6.752 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.523 -5.780 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.548 -7.236 -6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.615 -4.345 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.159 -5.746 -5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.328 -4.796 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.432 -6.437 -6.934 1.00 0.00 H new ATOM 479 N THR A 28 -2.560 -4.377 -10.402 1.00 0.00 N ATOM 480 CA THR A 28 -2.510 -2.983 -10.907 1.00 0.00 C ATOM 481 C THR A 28 -3.833 -2.253 -11.171 1.00 0.00 C ATOM 482 O THR A 28 -4.770 -2.467 -10.410 1.00 0.00 O ATOM 483 CB THR A 28 -1.286 -2.758 -11.861 1.00 0.00 C ATOM 484 OG1 THR A 28 -1.357 -3.635 -12.981 1.00 0.00 O ATOM 485 CG2 THR A 28 0.088 -2.904 -11.183 1.00 0.00 C ATOM 0 H THR A 28 -2.530 -5.096 -11.125 1.00 0.00 H new ATOM 0 HA THR A 28 -2.283 -2.356 -10.045 1.00 0.00 H new ATOM 0 HB THR A 28 -1.362 -1.719 -12.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.587 -3.480 -13.567 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.876 -2.732 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.176 -2.174 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.187 -3.909 -10.774 1.00 0.00 H new ATOM 493 N SER A 29 -3.894 -1.344 -12.154 1.00 0.00 N ATOM 494 CA SER A 29 -4.986 -0.346 -12.282 1.00 0.00 C ATOM 495 C SER A 29 -6.470 -0.723 -12.014 1.00 0.00 C ATOM 496 O SER A 29 -7.199 0.089 -11.435 1.00 0.00 O ATOM 497 CB SER A 29 -4.869 0.304 -13.677 1.00 0.00 C ATOM 498 OG SER A 29 -3.830 1.275 -13.709 1.00 0.00 O ATOM 0 H SER A 29 -3.190 -1.273 -12.889 1.00 0.00 H new ATOM 0 HA SER A 29 -4.796 0.306 -11.429 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.674 -0.465 -14.424 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.816 0.773 -13.943 1.00 0.00 H new ATOM 0 HG SER A 29 -3.778 1.669 -14.605 1.00 0.00 H new ATOM 504 N GLU A 30 -6.896 -1.923 -12.434 1.00 0.00 N ATOM 505 CA GLU A 30 -8.283 -2.419 -12.108 1.00 0.00 C ATOM 506 C GLU A 30 -8.397 -2.916 -10.637 1.00 0.00 C ATOM 507 O GLU A 30 -9.353 -2.593 -9.927 1.00 0.00 O ATOM 508 CB GLU A 30 -8.755 -3.496 -13.125 1.00 0.00 C ATOM 509 CG GLU A 30 -8.925 -3.046 -14.594 1.00 0.00 C ATOM 510 CD GLU A 30 -10.019 -1.995 -14.819 1.00 0.00 C ATOM 511 OE1 GLU A 30 -11.207 -2.277 -14.972 1.00 0.00 O ATOM 512 OE2 GLU A 30 -9.518 -0.718 -14.828 1.00 0.00 O ATOM 0 H GLU A 30 -6.333 -2.569 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.958 -1.569 -12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.041 -4.319 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.709 -3.893 -12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.976 -2.645 -14.949 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.149 -3.921 -15.204 1.00 0.00 H new ATOM 520 N GLU A 31 -7.394 -3.687 -10.204 1.00 0.00 N ATOM 521 CA GLU A 31 -7.196 -4.113 -8.808 1.00 0.00 C ATOM 522 C GLU A 31 -6.993 -2.981 -7.753 1.00 0.00 C ATOM 523 O GLU A 31 -7.371 -3.224 -6.607 1.00 0.00 O ATOM 524 CB GLU A 31 -5.949 -5.033 -8.842 1.00 0.00 C ATOM 525 CG GLU A 31 -5.974 -6.175 -7.797 1.00 0.00 C ATOM 526 CD GLU A 31 -7.142 -7.162 -7.918 1.00 0.00 C ATOM 527 OE1 GLU A 31 -8.112 -7.158 -7.160 1.00 0.00 O ATOM 528 OE2 GLU A 31 -6.979 -8.037 -8.961 1.00 0.00 O ATOM 0 H GLU A 31 -6.674 -4.044 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.113 -4.596 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.860 -5.468 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.059 -4.426 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.041 -6.733 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.999 -5.731 -6.802 1.00 0.00 H new ATOM 536 N ILE A 32 -6.423 -1.784 -8.080 1.00 0.00 N ATOM 537 CA ILE A 32 -6.323 -0.646 -7.107 1.00 0.00 C ATOM 538 C ILE A 32 -7.741 -0.236 -6.576 1.00 0.00 C ATOM 539 O ILE A 32 -7.898 -0.035 -5.373 1.00 0.00 O ATOM 540 CB ILE A 32 -5.543 0.649 -7.553 1.00 0.00 C ATOM 541 CG1 ILE A 32 -4.244 0.613 -8.402 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.192 1.469 -6.300 1.00 0.00 C ATOM 543 CD1 ILE A 32 -3.283 -0.538 -8.154 1.00 0.00 C ATOM 0 H ILE A 32 -6.029 -1.580 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.696 -1.074 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.273 1.048 -8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.529 0.595 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.705 1.545 -8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.651 2.369 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.108 1.749 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.567 0.871 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.420 -0.440 -8.813 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.951 -0.518 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.788 -1.483 -8.355 1.00 0.00 H new ATOM 555 N THR A 33 -8.745 -0.136 -7.470 1.00 0.00 N ATOM 556 CA THR A 33 -10.173 0.089 -7.108 1.00 0.00 C ATOM 557 C THR A 33 -10.714 -0.922 -6.038 1.00 0.00 C ATOM 558 O THR A 33 -11.332 -0.493 -5.061 1.00 0.00 O ATOM 559 CB THR A 33 -10.968 0.155 -8.467 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.998 1.509 -8.903 1.00 0.00 O ATOM 561 CG2 THR A 33 -12.420 -0.365 -8.452 1.00 0.00 C ATOM 0 H THR A 33 -8.593 -0.209 -8.476 1.00 0.00 H new ATOM 0 HA THR A 33 -10.309 1.032 -6.579 1.00 0.00 H new ATOM 0 HB THR A 33 -10.429 -0.519 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.488 1.569 -9.750 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.853 -0.264 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.428 -1.415 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.007 0.215 -7.740 1.00 0.00 H new ATOM 569 N MET A 34 -10.454 -2.229 -6.216 1.00 0.00 N ATOM 570 CA MET A 34 -10.773 -3.281 -5.216 1.00 0.00 C ATOM 571 C MET A 34 -9.979 -3.166 -3.863 1.00 0.00 C ATOM 572 O MET A 34 -10.558 -3.452 -2.813 1.00 0.00 O ATOM 573 CB MET A 34 -10.558 -4.636 -5.943 1.00 0.00 C ATOM 574 CG MET A 34 -11.744 -5.100 -6.807 1.00 0.00 C ATOM 575 SD MET A 34 -11.371 -6.709 -7.542 1.00 0.00 S ATOM 576 CE MET A 34 -10.873 -6.247 -9.214 1.00 0.00 C ATOM 0 H MET A 34 -10.014 -2.595 -7.061 1.00 0.00 H new ATOM 0 HA MET A 34 -11.804 -3.171 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.674 -4.556 -6.576 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.348 -5.403 -5.198 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.645 -5.168 -6.198 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.943 -4.369 -7.591 1.00 0.00 H new ATOM 0 HE1 MET A 34 -10.369 -7.088 -9.689 1.00 0.00 H new ATOM 0 HE2 MET A 34 -11.755 -5.978 -9.795 1.00 0.00 H new ATOM 0 HE3 MET A 34 -10.194 -5.395 -9.169 1.00 0.00 H new ATOM 586 N ILE A 35 -8.696 -2.734 -3.878 1.00 0.00 N ATOM 587 CA ILE A 35 -7.874 -2.449 -2.651 1.00 0.00 C ATOM 588 C ILE A 35 -8.446 -1.220 -1.878 1.00 0.00 C ATOM 589 O ILE A 35 -8.667 -1.324 -0.670 1.00 0.00 O ATOM 590 CB ILE A 35 -6.345 -2.267 -2.994 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.754 -3.533 -3.665 1.00 0.00 C ATOM 592 CG2 ILE A 35 -5.462 -1.878 -1.771 1.00 0.00 C ATOM 593 CD1 ILE A 35 -4.413 -3.354 -4.372 1.00 0.00 C ATOM 0 H ILE A 35 -8.186 -2.568 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.942 -3.318 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.319 -1.430 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.640 -4.304 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.477 -3.906 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.425 -1.772 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.812 -0.933 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.530 -2.656 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.099 -4.305 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.516 -2.613 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.665 -3.016 -3.654 1.00 0.00 H new ATOM 605 N ALA A 36 -8.666 -0.078 -2.565 1.00 0.00 N ATOM 606 CA ALA A 36 -9.301 1.129 -1.955 1.00 0.00 C ATOM 607 C ALA A 36 -10.702 0.904 -1.304 1.00 0.00 C ATOM 608 O ALA A 36 -10.986 1.484 -0.251 1.00 0.00 O ATOM 609 CB ALA A 36 -9.333 2.267 -2.985 1.00 0.00 C ATOM 0 H ALA A 36 -8.415 0.041 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.670 1.399 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.796 3.148 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.315 2.508 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.910 1.954 -3.855 1.00 0.00 H new ATOM 615 N ASP A 37 -11.542 0.043 -1.917 1.00 0.00 N ATOM 616 CA ASP A 37 -12.843 -0.399 -1.348 1.00 0.00 C ATOM 617 C ASP A 37 -12.679 -1.292 -0.072 1.00 0.00 C ATOM 618 O ASP A 37 -13.374 -1.061 0.920 1.00 0.00 O ATOM 619 CB ASP A 37 -13.629 -1.156 -2.458 1.00 0.00 C ATOM 620 CG ASP A 37 -15.149 -1.133 -2.251 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.877 -0.244 -2.692 1.00 0.00 O ATOM 622 OD2 ASP A 37 -15.593 -2.208 -1.524 1.00 0.00 O ATOM 0 H ASP A 37 -11.339 -0.370 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.394 0.483 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.395 -0.712 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.290 -2.191 -2.491 1.00 0.00 H new ATOM 628 N GLN A 38 -11.760 -2.288 -0.116 1.00 0.00 N ATOM 629 CA GLN A 38 -11.402 -3.166 1.039 1.00 0.00 C ATOM 630 C GLN A 38 -10.981 -2.354 2.306 1.00 0.00 C ATOM 631 O GLN A 38 -11.583 -2.562 3.364 1.00 0.00 O ATOM 632 CB GLN A 38 -10.344 -4.199 0.545 1.00 0.00 C ATOM 633 CG GLN A 38 -9.920 -5.312 1.537 1.00 0.00 C ATOM 634 CD GLN A 38 -8.893 -4.905 2.612 1.00 0.00 C ATOM 635 OE1 GLN A 38 -9.231 -4.724 3.782 1.00 0.00 O ATOM 636 NE2 GLN A 38 -7.627 -4.756 2.250 1.00 0.00 N ATOM 0 H GLN A 38 -11.237 -2.511 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.278 -3.716 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.734 -4.678 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.449 -3.651 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.814 -5.683 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.507 -6.143 0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.353 -4.907 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.927 -4.490 2.942 1.00 0.00 H new ATOM 645 N LEU A 39 -9.999 -1.430 2.194 1.00 0.00 N ATOM 646 CA LEU A 39 -9.640 -0.496 3.294 1.00 0.00 C ATOM 647 C LEU A 39 -10.535 0.782 3.152 1.00 0.00 C ATOM 648 O LEU A 39 -11.755 0.664 2.978 1.00 0.00 O ATOM 649 CB LEU A 39 -8.086 -0.365 3.454 1.00 0.00 C ATOM 650 CG LEU A 39 -7.138 -0.044 2.255 1.00 0.00 C ATOM 651 CD1 LEU A 39 -7.292 1.357 1.684 1.00 0.00 C ATOM 652 CD2 LEU A 39 -5.665 -0.180 2.659 1.00 0.00 C ATOM 0 H LEU A 39 -9.438 -1.309 1.351 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.884 -0.867 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.915 0.410 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.737 -1.305 3.883 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.430 -0.770 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.595 1.491 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.312 1.494 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.079 2.092 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.030 0.050 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.445 0.513 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.471 -1.200 2.991 1.00 0.00 H new ATOM 664 N ASN A 40 -9.972 1.990 3.305 1.00 0.00 N ATOM 665 CA ASN A 40 -10.711 3.264 3.126 1.00 0.00 C ATOM 666 C ASN A 40 -9.626 4.285 2.687 1.00 0.00 C ATOM 667 O ASN A 40 -9.014 4.956 3.525 1.00 0.00 O ATOM 668 CB ASN A 40 -11.508 3.617 4.416 1.00 0.00 C ATOM 669 CG ASN A 40 -12.664 4.592 4.242 1.00 0.00 C ATOM 670 OD1 ASN A 40 -13.341 4.678 3.217 1.00 0.00 O ATOM 671 ND2 ASN A 40 -12.994 5.226 5.343 1.00 0.00 N ATOM 0 H ASN A 40 -8.992 2.119 3.556 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.492 3.235 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.899 2.693 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.814 4.034 5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.831 5.809 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.414 5.136 6.177 1.00 0.00 H new ATOM 678 N MET A 41 -9.385 4.347 1.362 1.00 0.00 N ATOM 679 CA MET A 41 -8.295 5.178 0.763 1.00 0.00 C ATOM 680 C MET A 41 -8.765 6.244 -0.272 1.00 0.00 C ATOM 681 O MET A 41 -9.750 6.025 -0.987 1.00 0.00 O ATOM 682 CB MET A 41 -7.368 4.239 -0.097 1.00 0.00 C ATOM 683 CG MET A 41 -5.895 4.355 0.288 1.00 0.00 C ATOM 684 SD MET A 41 -5.346 6.060 0.232 1.00 0.00 S ATOM 685 CE MET A 41 -4.456 6.031 1.773 1.00 0.00 C ATOM 0 H MET A 41 -9.930 3.830 0.672 1.00 0.00 H new ATOM 0 HA MET A 41 -7.829 5.671 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.691 3.205 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.485 4.487 -1.152 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.745 3.954 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.290 3.752 -0.390 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.927 6.975 1.905 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.157 5.889 2.595 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.738 5.211 1.763 1.00 0.00 H new ATOM 695 N GLU A 42 -7.995 7.355 -0.412 1.00 0.00 N ATOM 696 CA GLU A 42 -8.002 8.146 -1.680 1.00 0.00 C ATOM 697 C GLU A 42 -7.041 7.418 -2.631 1.00 0.00 C ATOM 698 O GLU A 42 -5.880 7.152 -2.320 1.00 0.00 O ATOM 699 CB GLU A 42 -7.654 9.637 -1.636 1.00 0.00 C ATOM 700 CG GLU A 42 -7.782 10.484 -2.926 1.00 0.00 C ATOM 701 CD GLU A 42 -9.218 10.679 -3.425 1.00 0.00 C ATOM 702 OE1 GLU A 42 -9.968 11.558 -3.001 1.00 0.00 O ATOM 703 OE2 GLU A 42 -9.562 9.766 -4.389 1.00 0.00 O ATOM 0 H GLU A 42 -7.377 7.719 0.313 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.045 8.182 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.286 10.099 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.624 9.723 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.338 11.463 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.199 10.009 -3.715 1.00 0.00 H new ATOM 711 N LYS A 43 -7.554 7.181 -3.824 1.00 0.00 N ATOM 712 CA LYS A 43 -6.830 6.348 -4.834 1.00 0.00 C ATOM 713 C LYS A 43 -5.573 6.849 -5.559 1.00 0.00 C ATOM 714 O LYS A 43 -4.736 6.051 -5.996 1.00 0.00 O ATOM 715 CB LYS A 43 -7.743 5.653 -5.833 1.00 0.00 C ATOM 716 CG LYS A 43 -7.320 4.163 -5.968 1.00 0.00 C ATOM 717 CD LYS A 43 -8.054 3.507 -7.142 1.00 0.00 C ATOM 718 CE LYS A 43 -7.467 3.836 -8.531 1.00 0.00 C ATOM 719 NZ LYS A 43 -8.135 3.067 -9.595 1.00 0.00 N ATOM 0 H LYS A 43 -8.456 7.537 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.403 5.661 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.780 5.720 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.684 6.149 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.243 4.096 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.545 3.629 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.041 2.426 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.098 3.818 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.574 4.902 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.399 3.616 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.496 2.322 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.001 2.633 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.380 3.702 -10.381 1.00 0.00 H new ATOM 732 N GLU A 44 -5.457 8.163 -5.649 1.00 0.00 N ATOM 733 CA GLU A 44 -4.226 8.821 -6.206 1.00 0.00 C ATOM 734 C GLU A 44 -2.861 8.320 -5.615 1.00 0.00 C ATOM 735 O GLU A 44 -1.882 8.120 -6.335 1.00 0.00 O ATOM 736 CB GLU A 44 -4.356 10.356 -6.050 1.00 0.00 C ATOM 737 CG GLU A 44 -4.264 10.999 -4.643 1.00 0.00 C ATOM 738 CD GLU A 44 -4.565 12.499 -4.659 1.00 0.00 C ATOM 739 OE1 GLU A 44 -3.691 13.365 -4.665 1.00 0.00 O ATOM 740 OE2 GLU A 44 -5.912 12.758 -4.657 1.00 0.00 O ATOM 0 H GLU A 44 -6.182 8.816 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.185 8.531 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.582 10.812 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.316 10.646 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.964 10.499 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.265 10.837 -4.239 1.00 0.00 H new ATOM 748 N VAL A 45 -2.896 8.084 -4.299 1.00 0.00 N ATOM 749 CA VAL A 45 -1.785 7.515 -3.491 1.00 0.00 C ATOM 750 C VAL A 45 -1.355 6.090 -3.925 1.00 0.00 C ATOM 751 O VAL A 45 -0.195 5.911 -4.251 1.00 0.00 O ATOM 752 CB VAL A 45 -1.970 7.580 -1.932 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.607 8.866 -1.414 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.772 6.473 -1.247 1.00 0.00 C ATOM 0 H VAL A 45 -3.723 8.287 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.971 8.201 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.917 7.481 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.693 8.818 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.985 9.717 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.598 8.983 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.808 6.661 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.786 6.457 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.294 5.511 -1.431 1.00 0.00 H new ATOM 764 N ILE A 46 -2.280 5.117 -3.925 1.00 0.00 N ATOM 765 CA ILE A 46 -1.982 3.661 -4.068 1.00 0.00 C ATOM 766 C ILE A 46 -1.216 3.253 -5.349 1.00 0.00 C ATOM 767 O ILE A 46 -0.224 2.541 -5.222 1.00 0.00 O ATOM 768 CB ILE A 46 -3.161 2.680 -3.764 1.00 0.00 C ATOM 769 CG1 ILE A 46 -4.015 3.028 -2.530 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.679 1.226 -3.576 1.00 0.00 C ATOM 771 CD1 ILE A 46 -5.082 4.012 -2.921 1.00 0.00 C ATOM 0 H ILE A 46 -3.276 5.311 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.280 3.532 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.785 2.788 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.470 2.125 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.386 3.450 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.534 0.583 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.184 0.886 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.978 1.180 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.687 4.259 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.617 4.918 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.717 3.573 -3.690 1.00 0.00 H new ATOM 783 N ARG A 47 -1.671 3.666 -6.544 1.00 0.00 N ATOM 784 CA ARG A 47 -0.935 3.422 -7.821 1.00 0.00 C ATOM 785 C ARG A 47 0.523 4.025 -7.821 1.00 0.00 C ATOM 786 O ARG A 47 1.461 3.384 -8.298 1.00 0.00 O ATOM 787 CB ARG A 47 -1.808 4.004 -8.973 1.00 0.00 C ATOM 788 CG ARG A 47 -1.545 3.353 -10.350 1.00 0.00 C ATOM 789 CD ARG A 47 -2.493 3.817 -11.479 1.00 0.00 C ATOM 790 NE ARG A 47 -2.378 5.258 -11.828 1.00 0.00 N ATOM 791 CZ ARG A 47 -1.482 5.783 -12.687 1.00 0.00 C ATOM 792 NH1 ARG A 47 -0.569 5.066 -13.340 1.00 0.00 N ATOM 793 NH2 ARG A 47 -1.510 7.086 -12.891 1.00 0.00 N ATOM 0 H ARG A 47 -2.548 4.173 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.785 2.351 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.860 3.877 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.625 5.076 -9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.518 3.566 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.629 2.271 -10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.293 3.223 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.521 3.609 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.031 5.902 -11.381 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.520 4.056 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.081 5.526 -13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.196 7.664 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.846 7.516 -13.535 1.00 0.00 H new ATOM 806 N VAL A 48 0.675 5.240 -7.249 1.00 0.00 N ATOM 807 CA VAL A 48 1.963 5.953 -7.021 1.00 0.00 C ATOM 808 C VAL A 48 2.837 5.266 -5.909 1.00 0.00 C ATOM 809 O VAL A 48 4.011 4.990 -6.169 1.00 0.00 O ATOM 810 CB VAL A 48 1.595 7.479 -6.846 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.194 8.216 -5.636 1.00 0.00 C ATOM 812 CG2 VAL A 48 1.868 8.266 -8.141 1.00 0.00 C ATOM 0 H VAL A 48 -0.126 5.777 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 48 2.650 5.889 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 48 0.528 7.447 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.859 9.253 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.866 7.732 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.282 8.186 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.606 9.313 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.925 8.189 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.267 7.853 -8.951 1.00 0.00 H new ATOM 822 N TRP A 49 2.287 4.984 -4.700 1.00 0.00 N ATOM 823 CA TRP A 49 2.955 4.180 -3.633 1.00 0.00 C ATOM 824 C TRP A 49 3.443 2.782 -4.139 1.00 0.00 C ATOM 825 O TRP A 49 4.557 2.379 -3.807 1.00 0.00 O ATOM 826 CB TRP A 49 1.971 4.012 -2.430 1.00 0.00 C ATOM 827 CG TRP A 49 2.640 3.497 -1.143 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.413 4.267 -0.253 1.00 0.00 C ATOM 829 CD2 TRP A 49 2.903 2.179 -0.811 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.177 3.456 0.606 1.00 0.00 N ATOM 831 CE2 TRP A 49 3.876 2.165 0.218 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.506 0.975 -1.436 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.515 0.949 0.574 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.213 -0.191 -1.137 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.211 -0.197 -0.161 1.00 0.00 C ATOM 0 H TRP A 49 1.358 5.310 -4.432 1.00 0.00 H new ATOM 0 HA TRP A 49 3.848 4.720 -3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.499 4.972 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.177 3.322 -2.716 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.419 5.347 -0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.810 3.754 1.348 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.677 0.958 -2.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.218 0.912 1.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.984 -1.103 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.759 -1.108 0.029 1.00 0.00 H new ATOM 846 N PHE A 50 2.604 2.061 -4.914 1.00 0.00 N ATOM 847 CA PHE A 50 2.957 0.783 -5.569 1.00 0.00 C ATOM 848 C PHE A 50 4.139 0.904 -6.582 1.00 0.00 C ATOM 849 O PHE A 50 5.022 0.045 -6.556 1.00 0.00 O ATOM 850 CB PHE A 50 1.650 0.158 -6.160 1.00 0.00 C ATOM 851 CG PHE A 50 0.738 -0.731 -5.263 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.192 -1.293 -4.070 1.00 0.00 C ATOM 853 CD2 PHE A 50 -0.503 -1.134 -5.751 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.529 -2.354 -3.481 1.00 0.00 C ATOM 855 CE2 PHE A 50 -1.219 -2.145 -5.111 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.664 -2.818 -4.016 1.00 0.00 C ATOM 0 H PHE A 50 1.646 2.356 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 50 3.360 0.094 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.037 0.979 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.939 -0.441 -7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.077 -0.892 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.913 -0.660 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.942 -2.824 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.206 -2.410 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.156 -3.683 -3.595 1.00 0.00 H new ATOM 866 N CYS A 51 4.188 1.971 -7.413 1.00 0.00 N ATOM 867 CA CYS A 51 5.372 2.312 -8.263 1.00 0.00 C ATOM 868 C CYS A 51 6.721 2.528 -7.491 1.00 0.00 C ATOM 869 O CYS A 51 7.790 2.167 -7.988 1.00 0.00 O ATOM 870 CB CYS A 51 5.043 3.603 -9.050 1.00 0.00 C ATOM 871 SG CYS A 51 5.923 3.603 -10.649 1.00 0.00 S ATOM 0 H CYS A 51 3.412 2.625 -7.519 1.00 0.00 H new ATOM 0 HA CYS A 51 5.539 1.446 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.968 3.672 -9.217 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.332 4.477 -8.467 1.00 0.00 H new ATOM 0 HG CYS A 51 5.637 4.691 -11.301 1.00 0.00 H new ATOM 877 N ASN A 52 6.630 3.073 -6.261 1.00 0.00 N ATOM 878 CA ASN A 52 7.786 3.324 -5.359 1.00 0.00 C ATOM 879 C ASN A 52 8.229 2.022 -4.602 1.00 0.00 C ATOM 880 O ASN A 52 9.435 1.771 -4.530 1.00 0.00 O ATOM 881 CB ASN A 52 7.389 4.486 -4.401 1.00 0.00 C ATOM 882 CG ASN A 52 8.579 5.142 -3.678 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.114 4.611 -2.704 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.006 6.311 -4.134 1.00 0.00 N ATOM 0 H ASN A 52 5.739 3.358 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 52 8.664 3.619 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.860 5.249 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.691 4.105 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.787 6.782 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.554 6.739 -4.942 1.00 0.00 H new ATOM 891 N ARG A 53 7.293 1.190 -4.082 1.00 0.00 N ATOM 892 CA ARG A 53 7.586 -0.152 -3.502 1.00 0.00 C ATOM 893 C ARG A 53 8.362 -1.177 -4.396 1.00 0.00 C ATOM 894 O ARG A 53 9.082 -2.031 -3.878 1.00 0.00 O ATOM 895 CB ARG A 53 6.202 -0.721 -3.081 1.00 0.00 C ATOM 896 CG ARG A 53 6.199 -2.011 -2.237 1.00 0.00 C ATOM 897 CD ARG A 53 7.107 -1.952 -0.991 1.00 0.00 C ATOM 898 NE ARG A 53 6.691 -2.630 0.267 1.00 0.00 N ATOM 899 CZ ARG A 53 6.240 -3.892 0.370 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.130 -4.731 -0.631 1.00 0.00 N ATOM 901 NH2 ARG A 53 5.790 -4.318 1.518 1.00 0.00 N ATOM 0 H ARG A 53 6.302 1.431 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 53 8.290 -0.009 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.676 0.051 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.624 -0.908 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.178 -2.222 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.516 -2.844 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.075 -2.364 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.265 -0.900 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 53 6.754 -2.088 1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.397 -4.440 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.778 -5.675 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.783 -3.695 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.445 -5.274 1.608 1.00 0.00 H new ATOM 914 N ARG A 54 8.199 -1.066 -5.721 1.00 0.00 N ATOM 915 CA ARG A 54 8.935 -1.868 -6.746 1.00 0.00 C ATOM 916 C ARG A 54 10.503 -1.857 -6.660 1.00 0.00 C ATOM 917 O ARG A 54 11.128 -2.820 -7.112 1.00 0.00 O ATOM 918 CB ARG A 54 8.569 -1.372 -8.178 1.00 0.00 C ATOM 919 CG ARG A 54 7.143 -1.644 -8.693 1.00 0.00 C ATOM 920 CD ARG A 54 6.902 -3.087 -9.168 1.00 0.00 C ATOM 921 NE ARG A 54 5.531 -3.207 -9.714 1.00 0.00 N ATOM 922 CZ ARG A 54 4.984 -4.343 -10.174 1.00 0.00 C ATOM 923 NH1 ARG A 54 5.595 -5.526 -10.163 1.00 0.00 N ATOM 924 NH2 ARG A 54 3.766 -4.274 -10.671 1.00 0.00 N ATOM 0 H ARG A 54 7.541 -0.406 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 54 8.614 -2.888 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.737 -0.296 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.270 -1.826 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.433 -1.413 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.932 -0.963 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.633 -3.357 -9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.036 -3.781 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 54 4.959 -2.363 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.540 -5.609 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.118 -6.350 -10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.275 -3.380 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.314 -5.114 -11.031 1.00 0.00 H new ATOM 937 N GLN A 55 11.125 -0.800 -6.096 1.00 0.00 N ATOM 938 CA GLN A 55 12.604 -0.701 -5.923 1.00 0.00 C ATOM 939 C GLN A 55 13.136 -1.423 -4.637 1.00 0.00 C ATOM 940 O GLN A 55 14.314 -1.794 -4.619 1.00 0.00 O ATOM 941 CB GLN A 55 13.039 0.794 -5.919 1.00 0.00 C ATOM 942 CG GLN A 55 12.954 1.562 -7.263 1.00 0.00 C ATOM 943 CD GLN A 55 11.545 2.020 -7.685 1.00 0.00 C ATOM 944 OE1 GLN A 55 10.892 2.802 -6.995 1.00 0.00 O ATOM 945 NE2 GLN A 55 11.051 1.559 -8.825 1.00 0.00 N ATOM 0 H GLN A 55 10.621 0.014 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 55 13.051 -1.221 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.425 1.322 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.069 0.845 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.597 2.440 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.360 0.926 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.597 0.911 -9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.125 1.852 -9.135 1.00 0.00 H new ATOM 954 N LYS A 56 12.313 -1.609 -3.579 1.00 0.00 N ATOM 955 CA LYS A 56 12.664 -2.425 -2.400 1.00 0.00 C ATOM 956 C LYS A 56 11.358 -3.143 -2.013 1.00 0.00 C ATOM 957 O LYS A 56 10.512 -2.699 -1.232 1.00 0.00 O ATOM 958 CB LYS A 56 13.376 -1.762 -1.222 1.00 0.00 C ATOM 959 CG LYS A 56 12.926 -0.357 -0.767 1.00 0.00 C ATOM 960 CD LYS A 56 13.714 0.138 0.460 1.00 0.00 C ATOM 961 CE LYS A 56 13.258 1.530 0.930 1.00 0.00 C ATOM 962 NZ LYS A 56 14.012 1.971 2.117 1.00 0.00 N ATOM 0 H LYS A 56 11.383 -1.194 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 56 13.469 -3.101 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.285 -2.430 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.436 -1.703 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.056 0.348 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.862 -0.377 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.595 -0.575 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.776 0.170 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.393 2.250 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.193 1.507 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.681 2.913 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.863 1.296 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.025 2.016 1.887 1.00 0.00 H new ATOM 975 N GLU A 57 11.293 -4.294 -2.661 1.00 0.00 N ATOM 976 CA GLU A 57 10.183 -5.283 -2.580 1.00 0.00 C ATOM 977 C GLU A 57 10.131 -5.900 -1.151 1.00 0.00 C ATOM 978 O GLU A 57 9.175 -5.652 -0.413 1.00 0.00 O ATOM 979 CB GLU A 57 10.314 -6.346 -3.709 1.00 0.00 C ATOM 980 CG GLU A 57 10.164 -5.785 -5.149 1.00 0.00 C ATOM 981 CD GLU A 57 11.468 -5.771 -5.955 1.00 0.00 C ATOM 982 OE1 GLU A 57 12.433 -5.061 -5.669 1.00 0.00 O ATOM 983 OE2 GLU A 57 11.430 -6.631 -7.022 1.00 0.00 O ATOM 0 H GLU A 57 12.036 -4.597 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 57 9.228 -4.785 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.286 -6.831 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.559 -7.116 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.425 -6.381 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.774 -4.769 -5.093 1.00 0.00 H new ATOM 991 N LYS A 58 11.178 -6.662 -0.772 1.00 0.00 N ATOM 992 CA LYS A 58 11.345 -7.202 0.606 1.00 0.00 C ATOM 993 C LYS A 58 12.874 -7.298 0.932 1.00 0.00 C ATOM 994 O LYS A 58 13.398 -8.385 1.200 1.00 0.00 O ATOM 995 CB LYS A 58 10.565 -8.543 0.755 1.00 0.00 C ATOM 996 CG LYS A 58 10.331 -8.982 2.217 1.00 0.00 C ATOM 997 CD LYS A 58 9.581 -10.326 2.336 1.00 0.00 C ATOM 998 CE LYS A 58 9.341 -10.806 3.781 1.00 0.00 C ATOM 999 NZ LYS A 58 8.347 -9.994 4.510 1.00 0.00 N ATOM 0 H LYS A 58 11.933 -6.923 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 58 10.910 -6.533 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.600 -8.446 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.113 -9.329 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.293 -9.064 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.763 -8.209 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.618 -10.234 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.147 -11.090 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.007 -11.844 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.286 -10.785 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.232 -10.369 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.673 -9.008 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.435 -10.033 4.012 1.00 0.00 H new ATOM 1012 N ARG A 59 13.595 -6.154 0.887 1.00 0.00 N ATOM 1013 CA ARG A 59 15.059 -6.094 1.155 1.00 0.00 C ATOM 1014 C ARG A 59 15.494 -4.687 1.653 1.00 0.00 C ATOM 1015 O ARG A 59 14.902 -3.658 1.313 1.00 0.00 O ATOM 1016 CB ARG A 59 15.936 -6.616 -0.028 1.00 0.00 C ATOM 1017 CG ARG A 59 15.655 -6.141 -1.481 1.00 0.00 C ATOM 1018 CD ARG A 59 15.924 -4.661 -1.817 1.00 0.00 C ATOM 1019 NE ARG A 59 17.353 -4.288 -1.682 1.00 0.00 N ATOM 1020 CZ ARG A 59 17.855 -3.064 -1.929 1.00 0.00 C ATOM 1021 NH1 ARG A 59 17.123 -2.023 -2.320 1.00 0.00 N ATOM 1022 NH2 ARG A 59 19.155 -2.885 -1.778 1.00 0.00 N ATOM 0 H ARG A 59 13.184 -5.247 0.665 1.00 0.00 H new ATOM 0 HA ARG A 59 15.246 -6.794 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 59 16.971 -6.361 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 59 15.868 -7.704 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 59 16.255 -6.752 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.609 -6.351 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.596 -4.460 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.326 -4.030 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 59 18.004 -5.013 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.117 -2.127 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.569 -1.121 -2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 59 19.746 -3.662 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.568 -1.970 -1.957 1.00 0.00 H new ATOM 1035 N ILE A 60 16.570 -4.678 2.456 1.00 0.00 N ATOM 1036 CA ILE A 60 17.192 -3.434 2.998 1.00 0.00 C ATOM 1037 C ILE A 60 18.662 -3.462 2.493 1.00 0.00 C ATOM 1038 O ILE A 60 18.978 -2.895 1.444 1.00 0.00 O ATOM 1039 CB ILE A 60 16.913 -3.216 4.537 1.00 0.00 C ATOM 1040 CG1 ILE A 60 15.407 -3.184 4.945 1.00 0.00 C ATOM 1041 CG2 ILE A 60 17.639 -1.971 5.112 1.00 0.00 C ATOM 1042 CD1 ILE A 60 14.547 -2.030 4.396 1.00 0.00 C ATOM 0 H ILE A 60 17.043 -5.530 2.755 1.00 0.00 H new ATOM 0 HA ILE A 60 16.738 -2.514 2.629 1.00 0.00 H new ATOM 0 HB ILE A 60 17.334 -4.115 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.952 -4.123 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.354 -3.155 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.409 -1.873 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.715 -2.086 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.303 -1.078 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.525 -2.134 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.957 -1.078 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.550 -2.061 3.306 1.00 0.00 H new ATOM 1054 N ASP A 61 19.522 -4.146 3.251 1.00 0.00 N ATOM 1055 CA ASP A 61 20.963 -4.324 2.931 1.00 0.00 C ATOM 1056 C ASP A 61 21.151 -5.767 2.389 1.00 0.00 C ATOM 1057 O ASP A 61 20.967 -6.746 3.122 1.00 0.00 O ATOM 1058 CB ASP A 61 21.856 -4.074 4.178 1.00 0.00 C ATOM 1059 CG ASP A 61 21.914 -2.613 4.652 1.00 0.00 C ATOM 1060 OD1 ASP A 61 22.504 -1.726 4.036 1.00 0.00 O ATOM 1061 OD2 ASP A 61 21.237 -2.420 5.829 1.00 0.00 O ATOM 0 H ASP A 61 19.245 -4.603 4.120 1.00 0.00 H new ATOM 0 HA ASP A 61 21.270 -3.596 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 61 21.490 -4.692 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 61 22.869 -4.408 3.954 1.00 0.00 H new ATOM 1067 N ILE A 62 21.509 -5.880 1.096 1.00 0.00 N ATOM 1068 CA ILE A 62 21.711 -7.192 0.419 1.00 0.00 C ATOM 1069 C ILE A 62 22.912 -7.090 -0.557 1.00 0.00 C ATOM 1070 O ILE A 62 23.894 -7.828 -0.483 1.00 0.00 O ATOM 1071 CB ILE A 62 20.380 -7.775 -0.180 1.00 0.00 C ATOM 1072 CG1 ILE A 62 20.524 -9.278 -0.559 1.00 0.00 C ATOM 1073 CG2 ILE A 62 19.776 -6.944 -1.342 1.00 0.00 C ATOM 1074 CD1 ILE A 62 19.208 -10.032 -0.807 1.00 0.00 C ATOM 1075 OXT ILE A 62 22.764 -6.105 -1.506 1.00 0.00 O ATOM 0 H ILE A 62 21.667 -5.076 0.488 1.00 0.00 H new ATOM 0 HA ILE A 62 21.985 -7.950 1.152 1.00 0.00 H new ATOM 0 HB ILE A 62 19.653 -7.697 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.137 -9.350 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 62 21.067 -9.785 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.861 -7.421 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 62 19.549 -5.938 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.493 -6.889 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 62 19.425 -11.069 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.596 -10.002 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.668 -9.561 -1.628 1.00 0.00 H new TER 1088 ILE A 62