USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 36 CYS SG : rot 15:sc= -24.4! USER MOD Set 1.2: A 62 CYS SG : rot -5:sc= -25.5! USER MOD Set 2.1: A 39 CYS SG : rot -72:sc= -28.2! USER MOD Set 2.2: A 49 CYS SG : rot 43:sc= -23.3! USER MOD Set 3.1: A 21 CYS SG : rot 81:sc= -20.3! USER MOD Set 3.2: A 38 CYS SG : rot -166:sc= -21.1! USER MOD Single : A 1 GLY N :NH3+ -128:sc= -0.205 (180deg=-1.63) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -156:sc= -0.558 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= -0.141 (180deg=-0.802) USER MOD Single : A 22 MET CE :methyl 156:sc= -1.3 (180deg=-2.33!) USER MOD Single : A 23 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.023) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 31 SER OG : rot 81:sc= 0.793 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0318) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.858 K(o=-0.86,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.762 -4.029 -3.638 1.00 31.14 N ATOM 2 CA GLY A 1 -7.710 -3.607 -4.652 1.00 71.42 C ATOM 3 C GLY A 1 -9.039 -4.329 -4.540 1.00 3.53 C ATOM 4 O GLY A 1 -9.398 -5.149 -5.385 1.00 4.22 O ATOM 0 H1 GLY A 1 -6.386 -3.194 -3.145 1.00 31.14 H new ATOM 0 H2 GLY A 1 -7.239 -4.650 -2.953 1.00 31.14 H new ATOM 0 H3 GLY A 1 -5.980 -4.546 -4.088 1.00 31.14 H new ATOM 0 HA2 GLY A 1 -7.875 -2.533 -4.566 1.00 71.42 H new ATOM 0 HA3 GLY A 1 -7.285 -3.786 -5.640 1.00 71.42 H new ATOM 8 N PRO A 2 -9.793 -4.024 -3.473 1.00 72.24 N ATOM 9 CA PRO A 2 -11.101 -4.639 -3.227 1.00 61.24 C ATOM 10 C PRO A 2 -12.156 -4.179 -4.228 1.00 5.42 C ATOM 11 O PRO A 2 -12.926 -4.986 -4.746 1.00 14.23 O ATOM 12 CB PRO A 2 -11.457 -4.163 -1.817 1.00 54.31 C ATOM 13 CG PRO A 2 -10.702 -2.890 -1.645 1.00 54.12 C ATOM 14 CD PRO A 2 -9.428 -3.056 -2.426 1.00 0.31 C ATOM 0 HA PRO A 2 -11.067 -5.724 -3.329 1.00 61.24 H new ATOM 0 HB2 PRO A 2 -12.530 -4.004 -1.712 1.00 54.31 H new ATOM 0 HB3 PRO A 2 -11.169 -4.899 -1.066 1.00 54.31 H new ATOM 0 HG2 PRO A 2 -11.278 -2.042 -2.014 1.00 54.12 H new ATOM 0 HG3 PRO A 2 -10.493 -2.700 -0.592 1.00 54.12 H new ATOM 0 HD2 PRO A 2 -9.092 -2.111 -2.852 1.00 0.31 H new ATOM 0 HD3 PRO A 2 -8.618 -3.429 -1.799 1.00 0.31 H new ATOM 22 N GLU A 3 -12.183 -2.877 -4.495 1.00 3.42 N ATOM 23 CA GLU A 3 -13.144 -2.310 -5.434 1.00 21.04 C ATOM 24 C GLU A 3 -12.431 -1.594 -6.577 1.00 64.20 C ATOM 25 O GLU A 3 -12.363 -0.365 -6.610 1.00 34.20 O ATOM 26 CB GLU A 3 -14.081 -1.337 -4.714 1.00 23.50 C ATOM 27 CG GLU A 3 -15.277 -0.914 -5.550 1.00 1.33 C ATOM 28 CD GLU A 3 -15.992 0.293 -4.974 1.00 52.24 C ATOM 29 OE1 GLU A 3 -15.435 1.408 -5.055 1.00 34.10 O ATOM 30 OE2 GLU A 3 -17.110 0.122 -4.444 1.00 2.34 O ATOM 0 H GLU A 3 -11.551 -2.196 -4.075 1.00 3.42 H new ATOM 0 HA GLU A 3 -13.731 -3.128 -5.851 1.00 21.04 H new ATOM 0 HB2 GLU A 3 -14.437 -1.802 -3.794 1.00 23.50 H new ATOM 0 HB3 GLU A 3 -13.518 -0.450 -4.425 1.00 23.50 H new ATOM 0 HG2 GLU A 3 -14.945 -0.686 -6.563 1.00 1.33 H new ATOM 0 HG3 GLU A 3 -15.977 -1.746 -5.623 1.00 1.33 H new ATOM 37 N LYS A 4 -11.898 -2.372 -7.514 1.00 34.04 N ATOM 38 CA LYS A 4 -11.190 -1.815 -8.660 1.00 12.01 C ATOM 39 C LYS A 4 -11.184 -2.798 -9.826 1.00 20.30 C ATOM 40 O LYS A 4 -10.583 -3.869 -9.744 1.00 32.25 O ATOM 41 CB LYS A 4 -9.753 -1.457 -8.273 1.00 74.02 C ATOM 42 CG LYS A 4 -8.939 -0.885 -9.421 1.00 31.23 C ATOM 43 CD LYS A 4 -7.720 -0.131 -8.918 1.00 0.53 C ATOM 44 CE LYS A 4 -8.007 1.356 -8.769 1.00 64.15 C ATOM 45 NZ LYS A 4 -7.167 2.177 -9.686 1.00 34.42 N ATOM 0 H LYS A 4 -11.943 -3.391 -7.502 1.00 34.04 H new ATOM 0 HA LYS A 4 -11.711 -0.910 -8.973 1.00 12.01 H new ATOM 0 HB2 LYS A 4 -9.775 -0.734 -7.458 1.00 74.02 H new ATOM 0 HB3 LYS A 4 -9.254 -2.349 -7.894 1.00 74.02 H new ATOM 0 HG2 LYS A 4 -8.622 -1.692 -10.081 1.00 31.23 H new ATOM 0 HG3 LYS A 4 -9.563 -0.216 -10.013 1.00 31.23 H new ATOM 0 HD2 LYS A 4 -7.408 -0.541 -7.957 1.00 0.53 H new ATOM 0 HD3 LYS A 4 -6.890 -0.275 -9.610 1.00 0.53 H new ATOM 0 HE2 LYS A 4 -9.061 1.545 -8.974 1.00 64.15 H new ATOM 0 HE3 LYS A 4 -7.824 1.660 -7.738 1.00 64.15 H new ATOM 0 HZ1 LYS A 4 -7.392 3.184 -9.555 1.00 34.42 H new ATOM 0 HZ2 LYS A 4 -6.162 2.016 -9.473 1.00 34.42 H new ATOM 0 HZ3 LYS A 4 -7.360 1.905 -10.671 1.00 34.42 H new ATOM 59 N MET A 5 -11.855 -2.427 -10.911 1.00 41.53 N ATOM 60 CA MET A 5 -11.924 -3.276 -12.095 1.00 4.50 C ATOM 61 C MET A 5 -11.621 -2.474 -13.357 1.00 61.21 C ATOM 62 O MET A 5 -12.089 -2.811 -14.444 1.00 33.52 O ATOM 63 CB MET A 5 -13.306 -3.921 -12.206 1.00 71.21 C ATOM 64 CG MET A 5 -13.259 -5.428 -12.404 1.00 51.44 C ATOM 65 SD MET A 5 -13.751 -6.338 -10.928 1.00 30.21 S ATOM 66 CE MET A 5 -12.256 -7.264 -10.587 1.00 71.15 C ATOM 0 H MET A 5 -12.359 -1.544 -10.995 1.00 41.53 H new ATOM 0 HA MET A 5 -11.173 -4.059 -11.994 1.00 4.50 H new ATOM 0 HB2 MET A 5 -13.875 -3.699 -11.303 1.00 71.21 H new ATOM 0 HB3 MET A 5 -13.843 -3.470 -13.040 1.00 71.21 H new ATOM 0 HG2 MET A 5 -13.914 -5.703 -13.231 1.00 51.44 H new ATOM 0 HG3 MET A 5 -12.248 -5.722 -12.687 1.00 51.44 H new ATOM 0 HE1 MET A 5 -12.403 -7.878 -9.699 1.00 71.15 H new ATOM 0 HE2 MET A 5 -12.023 -7.905 -11.437 1.00 71.15 H new ATOM 0 HE3 MET A 5 -11.430 -6.573 -10.418 1.00 71.15 H new ATOM 76 N GLU A 6 -10.836 -1.412 -13.205 1.00 25.53 N ATOM 77 CA GLU A 6 -10.472 -0.563 -14.333 1.00 73.52 C ATOM 78 C GLU A 6 -8.957 -0.427 -14.446 1.00 24.12 C ATOM 79 O GLU A 6 -8.300 0.089 -13.542 1.00 4.23 O ATOM 80 CB GLU A 6 -11.110 0.819 -14.186 1.00 13.53 C ATOM 81 CG GLU A 6 -11.880 1.269 -15.416 1.00 40.12 C ATOM 82 CD GLU A 6 -13.194 1.942 -15.069 1.00 4.22 C ATOM 83 OE1 GLU A 6 -13.982 1.347 -14.305 1.00 10.41 O ATOM 84 OE2 GLU A 6 -13.433 3.065 -15.561 1.00 63.24 O ATOM 0 H GLU A 6 -10.440 -1.119 -12.312 1.00 25.53 H new ATOM 0 HA GLU A 6 -10.845 -1.033 -15.243 1.00 73.52 H new ATOM 0 HB2 GLU A 6 -11.784 0.809 -13.329 1.00 13.53 H new ATOM 0 HB3 GLU A 6 -10.330 1.549 -13.969 1.00 13.53 H new ATOM 0 HG2 GLU A 6 -11.264 1.959 -15.993 1.00 40.12 H new ATOM 0 HG3 GLU A 6 -12.075 0.407 -16.053 1.00 40.12 H new ATOM 91 N VAL A 7 -8.408 -0.895 -15.563 1.00 4.45 N ATOM 92 CA VAL A 7 -6.970 -0.825 -15.795 1.00 1.01 C ATOM 93 C VAL A 7 -6.577 0.513 -16.411 1.00 0.01 C ATOM 94 O VAL A 7 -7.320 1.084 -17.210 1.00 20.14 O ATOM 95 CB VAL A 7 -6.495 -1.962 -16.719 1.00 20.23 C ATOM 96 CG1 VAL A 7 -4.980 -1.944 -16.853 1.00 40.42 C ATOM 97 CG2 VAL A 7 -6.976 -3.308 -16.197 1.00 4.12 C ATOM 0 H VAL A 7 -8.937 -1.326 -16.321 1.00 4.45 H new ATOM 0 HA VAL A 7 -6.487 -0.930 -14.823 1.00 1.01 H new ATOM 0 HB VAL A 7 -6.925 -1.806 -17.708 1.00 20.23 H new ATOM 0 HG11 VAL A 7 -4.663 -2.754 -17.509 1.00 40.42 H new ATOM 0 HG12 VAL A 7 -4.663 -0.990 -17.275 1.00 40.42 H new ATOM 0 HG13 VAL A 7 -4.526 -2.074 -15.871 1.00 40.42 H new ATOM 0 HG21 VAL A 7 -6.632 -4.100 -16.862 1.00 4.12 H new ATOM 0 HG22 VAL A 7 -6.576 -3.474 -15.197 1.00 4.12 H new ATOM 0 HG23 VAL A 7 -8.065 -3.315 -16.158 1.00 4.12 H new ATOM 107 N LYS A 8 -5.403 1.009 -16.035 1.00 11.21 N ATOM 108 CA LYS A 8 -4.908 2.280 -16.551 1.00 73.00 C ATOM 109 C LYS A 8 -3.489 2.550 -16.062 1.00 12.55 C ATOM 110 O LYS A 8 -3.284 3.315 -15.120 1.00 4.31 O ATOM 111 CB LYS A 8 -5.833 3.422 -16.124 1.00 1.22 C ATOM 112 CG LYS A 8 -5.412 4.779 -16.661 1.00 63.00 C ATOM 113 CD LYS A 8 -6.610 5.686 -16.885 1.00 42.34 C ATOM 114 CE LYS A 8 -6.324 6.734 -17.950 1.00 42.03 C ATOM 115 NZ LYS A 8 -7.152 6.525 -19.170 1.00 41.32 N ATOM 0 H LYS A 8 -4.776 0.550 -15.374 1.00 11.21 H new ATOM 0 HA LYS A 8 -4.893 2.221 -17.639 1.00 73.00 H new ATOM 0 HB2 LYS A 8 -6.846 3.204 -16.464 1.00 1.22 H new ATOM 0 HB3 LYS A 8 -5.864 3.465 -15.035 1.00 1.22 H new ATOM 0 HG2 LYS A 8 -4.723 5.251 -15.960 1.00 63.00 H new ATOM 0 HG3 LYS A 8 -4.873 4.649 -17.599 1.00 63.00 H new ATOM 0 HD2 LYS A 8 -7.470 5.087 -17.184 1.00 42.34 H new ATOM 0 HD3 LYS A 8 -6.874 6.179 -15.950 1.00 42.34 H new ATOM 0 HE2 LYS A 8 -6.519 7.727 -17.544 1.00 42.03 H new ATOM 0 HE3 LYS A 8 -5.268 6.701 -18.218 1.00 42.03 H new ATOM 0 HZ1 LYS A 8 -6.928 7.259 -19.872 1.00 41.32 H new ATOM 0 HZ2 LYS A 8 -6.948 5.588 -19.572 1.00 41.32 H new ATOM 0 HZ3 LYS A 8 -8.160 6.582 -18.920 1.00 41.32 H new ATOM 129 N GLU A 9 -2.514 1.919 -16.708 1.00 74.03 N ATOM 130 CA GLU A 9 -1.115 2.093 -16.338 1.00 1.32 C ATOM 131 C GLU A 9 -0.205 1.270 -17.245 1.00 33.51 C ATOM 132 O GLU A 9 0.914 1.678 -17.555 1.00 24.14 O ATOM 133 CB GLU A 9 -0.897 1.691 -14.878 1.00 2.23 C ATOM 134 CG GLU A 9 -1.480 0.332 -14.527 1.00 43.50 C ATOM 135 CD GLU A 9 -2.544 0.415 -13.450 1.00 23.43 C ATOM 136 OE1 GLU A 9 -2.225 0.875 -12.334 1.00 2.41 O ATOM 137 OE2 GLU A 9 -3.696 0.018 -13.723 1.00 61.33 O ATOM 0 H GLU A 9 -2.667 1.283 -17.490 1.00 74.03 H new ATOM 0 HA GLU A 9 -0.862 3.146 -16.459 1.00 1.32 H new ATOM 0 HB2 GLU A 9 0.173 1.683 -14.668 1.00 2.23 H new ATOM 0 HB3 GLU A 9 -1.343 2.446 -14.231 1.00 2.23 H new ATOM 0 HG2 GLU A 9 -1.909 -0.118 -15.423 1.00 43.50 H new ATOM 0 HG3 GLU A 9 -0.679 -0.327 -14.192 1.00 43.50 H new ATOM 144 N ILE A 10 -0.695 0.108 -17.666 1.00 44.34 N ATOM 145 CA ILE A 10 0.073 -0.772 -18.538 1.00 21.52 C ATOM 146 C ILE A 10 -0.654 -1.011 -19.857 1.00 43.50 C ATOM 147 O ILE A 10 -1.114 -2.118 -20.133 1.00 43.55 O ATOM 148 CB ILE A 10 0.349 -2.130 -17.864 1.00 40.24 C ATOM 149 CG1 ILE A 10 0.970 -1.921 -16.482 1.00 1.02 C ATOM 150 CG2 ILE A 10 1.261 -2.979 -18.738 1.00 14.22 C ATOM 151 CD1 ILE A 10 0.163 -2.533 -15.358 1.00 40.22 C ATOM 0 H ILE A 10 -1.619 -0.245 -17.417 1.00 44.34 H new ATOM 0 HA ILE A 10 1.022 -0.272 -18.734 1.00 21.52 H new ATOM 0 HB ILE A 10 -0.597 -2.657 -17.740 1.00 40.24 H new ATOM 0 HG12 ILE A 10 1.972 -2.350 -16.474 1.00 1.02 H new ATOM 0 HG13 ILE A 10 1.079 -0.852 -16.300 1.00 1.02 H new ATOM 0 HG21 ILE A 10 1.447 -3.935 -18.249 1.00 14.22 H new ATOM 0 HG22 ILE A 10 0.783 -3.152 -19.702 1.00 14.22 H new ATOM 0 HG23 ILE A 10 2.207 -2.459 -18.890 1.00 14.22 H new ATOM 0 HD11 ILE A 10 0.663 -2.346 -14.408 1.00 40.22 H new ATOM 0 HD12 ILE A 10 -0.831 -2.087 -15.339 1.00 40.22 H new ATOM 0 HD13 ILE A 10 0.075 -3.608 -15.516 1.00 40.22 H new ATOM 163 N GLY A 11 -0.752 0.037 -20.670 1.00 1.10 N ATOM 164 CA GLY A 11 -1.422 -0.079 -21.952 1.00 13.12 C ATOM 165 C GLY A 11 -0.456 -0.340 -23.090 1.00 42.20 C ATOM 166 O GLY A 11 -0.717 -1.175 -23.956 1.00 21.44 O ATOM 0 H GLY A 11 -0.379 0.964 -20.463 1.00 1.10 H new ATOM 0 HA2 GLY A 11 -2.151 -0.888 -21.906 1.00 13.12 H new ATOM 0 HA3 GLY A 11 -1.976 0.838 -22.153 1.00 13.12 H new ATOM 170 N ARG A 12 0.663 0.378 -23.091 1.00 32.34 N ATOM 171 CA ARG A 12 1.670 0.222 -24.133 1.00 21.50 C ATOM 172 C ARG A 12 1.081 0.524 -25.508 1.00 4.43 C ATOM 173 O ARG A 12 0.653 -0.381 -26.224 1.00 5.40 O ATOM 174 CB ARG A 12 2.240 -1.198 -24.112 1.00 44.21 C ATOM 175 CG ARG A 12 3.594 -1.300 -23.428 1.00 61.34 C ATOM 176 CD ARG A 12 3.860 -2.711 -22.927 1.00 35.20 C ATOM 177 NE ARG A 12 4.611 -3.504 -23.896 1.00 75.34 N ATOM 178 CZ ARG A 12 5.895 -3.307 -24.169 1.00 65.15 C ATOM 179 NH1 ARG A 12 6.569 -2.348 -23.549 1.00 72.02 N ATOM 180 NH2 ARG A 12 6.510 -4.070 -25.064 1.00 74.44 N ATOM 0 H ARG A 12 0.894 1.073 -22.382 1.00 32.34 H new ATOM 0 HA ARG A 12 2.473 0.932 -23.936 1.00 21.50 H new ATOM 0 HB2 ARG A 12 1.535 -1.856 -23.604 1.00 44.21 H new ATOM 0 HB3 ARG A 12 2.332 -1.559 -25.136 1.00 44.21 H new ATOM 0 HG2 ARG A 12 4.378 -1.007 -24.126 1.00 61.34 H new ATOM 0 HG3 ARG A 12 3.634 -0.602 -22.592 1.00 61.34 H new ATOM 0 HD2 ARG A 12 4.414 -2.664 -21.990 1.00 35.20 H new ATOM 0 HD3 ARG A 12 2.912 -3.204 -22.712 1.00 35.20 H new ATOM 0 HE ARG A 12 4.122 -4.250 -24.390 1.00 75.34 H new ATOM 0 HH11 ARG A 12 6.101 -1.759 -22.860 1.00 72.02 H new ATOM 0 HH12 ARG A 12 7.556 -2.199 -23.761 1.00 72.02 H new ATOM 0 HH21 ARG A 12 5.996 -4.809 -25.543 1.00 74.44 H new ATOM 0 HH22 ARG A 12 7.497 -3.917 -25.273 1.00 74.44 H new ATOM 194 N SER A 13 1.063 1.803 -25.869 1.00 52.51 N ATOM 195 CA SER A 13 0.523 2.226 -27.156 1.00 13.51 C ATOM 196 C SER A 13 1.533 1.987 -28.274 1.00 53.21 C ATOM 197 O SER A 13 2.562 1.344 -28.069 1.00 30.03 O ATOM 198 CB SER A 13 0.137 3.706 -27.109 1.00 43.34 C ATOM 199 OG SER A 13 -0.771 4.030 -28.148 1.00 64.43 O ATOM 0 H SER A 13 1.416 2.564 -25.289 1.00 52.51 H new ATOM 0 HA SER A 13 -0.367 1.632 -27.362 1.00 13.51 H new ATOM 0 HB2 SER A 13 -0.313 3.937 -26.143 1.00 43.34 H new ATOM 0 HB3 SER A 13 1.032 4.321 -27.199 1.00 43.34 H new ATOM 0 HG SER A 13 -0.713 4.988 -28.346 1.00 64.43 H new ATOM 205 N SER A 14 1.230 2.510 -29.458 1.00 60.21 N ATOM 206 CA SER A 14 2.108 2.351 -30.611 1.00 65.51 C ATOM 207 C SER A 14 2.612 3.705 -31.102 1.00 34.31 C ATOM 208 O SER A 14 2.843 3.899 -32.295 1.00 50.34 O ATOM 209 CB SER A 14 1.375 1.626 -31.741 1.00 41.05 C ATOM 210 OG SER A 14 1.386 0.223 -31.540 1.00 13.44 O ATOM 0 H SER A 14 0.383 3.047 -29.644 1.00 60.21 H new ATOM 0 HA SER A 14 2.966 1.754 -30.303 1.00 65.51 H new ATOM 0 HB2 SER A 14 0.346 1.980 -31.797 1.00 41.05 H new ATOM 0 HB3 SER A 14 1.846 1.863 -32.695 1.00 41.05 H new ATOM 0 HG SER A 14 0.910 -0.217 -32.275 1.00 13.44 H new ATOM 216 N LYS A 15 2.779 4.639 -30.172 1.00 71.10 N ATOM 217 CA LYS A 15 3.256 5.976 -30.507 1.00 34.42 C ATOM 218 C LYS A 15 4.708 5.935 -30.970 1.00 64.10 C ATOM 219 O LYS A 15 5.506 5.140 -30.472 1.00 61.12 O ATOM 220 CB LYS A 15 3.120 6.905 -29.299 1.00 3.14 C ATOM 221 CG LYS A 15 4.192 6.691 -28.243 1.00 75.23 C ATOM 222 CD LYS A 15 3.874 5.494 -27.362 1.00 4.42 C ATOM 223 CE LYS A 15 4.775 4.311 -27.683 1.00 11.43 C ATOM 224 NZ LYS A 15 6.215 4.644 -27.498 1.00 53.25 N ATOM 0 H LYS A 15 2.591 4.495 -29.180 1.00 71.10 H new ATOM 0 HA LYS A 15 2.644 6.360 -31.323 1.00 34.42 H new ATOM 0 HB2 LYS A 15 3.160 7.939 -29.640 1.00 3.14 H new ATOM 0 HB3 LYS A 15 2.140 6.756 -28.845 1.00 3.14 H new ATOM 0 HG2 LYS A 15 5.157 6.542 -28.727 1.00 75.23 H new ATOM 0 HG3 LYS A 15 4.280 7.585 -27.626 1.00 75.23 H new ATOM 0 HD2 LYS A 15 3.993 5.770 -26.314 1.00 4.42 H new ATOM 0 HD3 LYS A 15 2.832 5.207 -27.499 1.00 4.42 H new ATOM 0 HE2 LYS A 15 4.512 3.470 -27.042 1.00 11.43 H new ATOM 0 HE3 LYS A 15 4.605 3.994 -28.712 1.00 11.43 H new ATOM 0 HZ1 LYS A 15 6.718 3.814 -27.126 1.00 53.25 H new ATOM 0 HZ2 LYS A 15 6.628 4.918 -28.412 1.00 53.25 H new ATOM 0 HZ3 LYS A 15 6.305 5.433 -26.827 1.00 53.25 H new ATOM 238 N ILE A 16 5.045 6.797 -31.924 1.00 32.05 N ATOM 239 CA ILE A 16 6.402 6.860 -32.451 1.00 2.40 C ATOM 240 C ILE A 16 6.591 8.087 -33.337 1.00 72.13 C ATOM 241 O ILE A 16 5.625 8.762 -33.694 1.00 75.53 O ATOM 242 CB ILE A 16 6.751 5.597 -33.260 1.00 42.54 C ATOM 243 CG1 ILE A 16 5.475 4.916 -33.759 1.00 43.12 C ATOM 244 CG2 ILE A 16 7.575 4.638 -32.415 1.00 60.52 C ATOM 245 CD1 ILE A 16 5.728 3.852 -34.804 1.00 75.03 C ATOM 0 H ILE A 16 4.397 7.461 -32.347 1.00 32.05 H new ATOM 0 HA ILE A 16 7.071 6.928 -31.593 1.00 2.40 H new ATOM 0 HB ILE A 16 7.346 5.890 -34.125 1.00 42.54 H new ATOM 0 HG12 ILE A 16 4.958 4.466 -32.912 1.00 43.12 H new ATOM 0 HG13 ILE A 16 4.808 5.671 -34.175 1.00 43.12 H new ATOM 0 HG21 ILE A 16 7.814 3.750 -33.001 1.00 60.52 H new ATOM 0 HG22 ILE A 16 8.498 5.127 -32.105 1.00 60.52 H new ATOM 0 HG23 ILE A 16 7.004 4.348 -31.533 1.00 60.52 H new ATOM 0 HD11 ILE A 16 4.780 3.412 -35.112 1.00 75.03 H new ATOM 0 HD12 ILE A 16 6.218 4.300 -35.668 1.00 75.03 H new ATOM 0 HD13 ILE A 16 6.369 3.076 -34.386 1.00 75.03 H new ATOM 257 N ILE A 17 7.840 8.369 -33.690 1.00 25.50 N ATOM 258 CA ILE A 17 8.155 9.512 -34.537 1.00 43.03 C ATOM 259 C ILE A 17 8.786 9.065 -35.852 1.00 0.23 C ATOM 260 O ILE A 17 9.223 7.921 -35.986 1.00 42.52 O ATOM 261 CB ILE A 17 9.110 10.491 -33.829 1.00 42.33 C ATOM 262 CG1 ILE A 17 10.425 9.792 -33.479 1.00 62.10 C ATOM 263 CG2 ILE A 17 8.456 11.058 -32.578 1.00 52.13 C ATOM 264 CD1 ILE A 17 10.404 9.106 -32.131 1.00 63.21 C ATOM 0 H ILE A 17 8.651 7.821 -33.402 1.00 25.50 H new ATOM 0 HA ILE A 17 7.213 10.021 -34.743 1.00 43.03 H new ATOM 0 HB ILE A 17 9.328 11.316 -34.507 1.00 42.33 H new ATOM 0 HG12 ILE A 17 10.652 9.055 -34.249 1.00 62.10 H new ATOM 0 HG13 ILE A 17 11.232 10.525 -33.492 1.00 62.10 H new ATOM 0 HG21 ILE A 17 9.144 11.748 -32.089 1.00 52.13 H new ATOM 0 HG22 ILE A 17 7.544 11.588 -32.853 1.00 52.13 H new ATOM 0 HG23 ILE A 17 8.211 10.245 -31.895 1.00 52.13 H new ATOM 0 HD11 ILE A 17 11.368 8.632 -31.949 1.00 63.21 H new ATOM 0 HD12 ILE A 17 10.209 9.842 -31.351 1.00 63.21 H new ATOM 0 HD13 ILE A 17 9.620 8.349 -32.120 1.00 63.21 H new ATOM 276 N LEU A 18 8.832 9.975 -36.819 1.00 32.22 N ATOM 277 CA LEU A 18 9.411 9.676 -38.124 1.00 25.33 C ATOM 278 C LEU A 18 10.514 10.671 -38.471 1.00 24.44 C ATOM 279 O LEU A 18 10.259 11.834 -38.782 1.00 3.22 O ATOM 280 CB LEU A 18 8.328 9.701 -39.203 1.00 12.30 C ATOM 281 CG LEU A 18 8.673 9.001 -40.518 1.00 21.35 C ATOM 282 CD1 LEU A 18 7.432 8.850 -41.384 1.00 44.21 C ATOM 283 CD2 LEU A 18 9.756 9.768 -41.262 1.00 61.32 C ATOM 0 H LEU A 18 8.475 10.926 -36.724 1.00 32.22 H new ATOM 0 HA LEU A 18 9.848 8.678 -38.080 1.00 25.33 H new ATOM 0 HB2 LEU A 18 7.427 9.242 -38.796 1.00 12.30 H new ATOM 0 HB3 LEU A 18 8.085 10.741 -39.421 1.00 12.30 H new ATOM 0 HG LEU A 18 9.054 8.006 -40.289 1.00 21.35 H new ATOM 0 HD11 LEU A 18 7.697 8.350 -42.316 1.00 44.21 H new ATOM 0 HD12 LEU A 18 6.688 8.257 -40.853 1.00 44.21 H new ATOM 0 HD13 LEU A 18 7.021 9.835 -41.605 1.00 44.21 H new ATOM 0 HD21 LEU A 18 9.989 9.255 -42.195 1.00 61.32 H new ATOM 0 HD22 LEU A 18 9.404 10.776 -41.480 1.00 61.32 H new ATOM 0 HD23 LEU A 18 10.653 9.823 -40.645 1.00 61.32 H new ATOM 295 N PRO A 19 11.771 10.204 -38.418 1.00 73.34 N ATOM 296 CA PRO A 19 12.938 11.035 -38.727 1.00 12.44 C ATOM 297 C PRO A 19 13.025 11.385 -40.208 1.00 41.52 C ATOM 298 O PRO A 19 12.641 10.592 -41.067 1.00 22.12 O ATOM 299 CB PRO A 19 14.120 10.155 -38.315 1.00 31.43 C ATOM 300 CG PRO A 19 13.607 8.760 -38.417 1.00 34.23 C ATOM 301 CD PRO A 19 12.149 8.828 -38.055 1.00 74.41 C ATOM 0 HA PRO A 19 12.903 11.994 -38.210 1.00 12.44 H new ATOM 0 HB2 PRO A 19 14.977 10.311 -38.970 1.00 31.43 H new ATOM 0 HB3 PRO A 19 14.449 10.383 -37.301 1.00 31.43 H new ATOM 0 HG2 PRO A 19 13.741 8.368 -39.425 1.00 34.23 H new ATOM 0 HG3 PRO A 19 14.146 8.095 -37.742 1.00 34.23 H new ATOM 0 HD2 PRO A 19 11.563 8.092 -38.606 1.00 74.41 H new ATOM 0 HD3 PRO A 19 11.989 8.634 -36.994 1.00 74.41 H new ATOM 309 N ALA A 20 13.533 12.578 -40.501 1.00 0.33 N ATOM 310 CA ALA A 20 13.673 13.032 -41.879 1.00 30.21 C ATOM 311 C ALA A 20 14.301 14.420 -41.939 1.00 0.11 C ATOM 312 O ALA A 20 15.484 14.565 -42.248 1.00 22.31 O ATOM 313 CB ALA A 20 12.320 13.032 -42.574 1.00 53.24 C ATOM 0 H ALA A 20 13.854 13.248 -39.802 1.00 0.33 H new ATOM 0 HA ALA A 20 14.336 12.340 -42.398 1.00 30.21 H new ATOM 0 HB1 ALA A 20 12.439 13.373 -43.602 1.00 53.24 H new ATOM 0 HB2 ALA A 20 11.910 12.022 -42.572 1.00 53.24 H new ATOM 0 HB3 ALA A 20 11.640 13.701 -42.046 1.00 53.24 H new ATOM 319 N CYS A 21 13.502 15.439 -41.642 1.00 53.32 N ATOM 320 CA CYS A 21 13.978 16.817 -41.663 1.00 64.14 C ATOM 321 C CYS A 21 13.443 17.596 -40.465 1.00 43.14 C ATOM 322 O CYS A 21 14.168 18.372 -39.843 1.00 30.21 O ATOM 323 CB CYS A 21 13.556 17.505 -42.963 1.00 61.10 C ATOM 324 SG CYS A 21 11.799 17.279 -43.387 1.00 12.12 S ATOM 0 H CYS A 21 12.521 15.336 -41.384 1.00 53.32 H new ATOM 0 HA CYS A 21 15.066 16.800 -41.606 1.00 64.14 H new ATOM 0 HB2 CYS A 21 13.765 18.572 -42.881 1.00 61.10 H new ATOM 0 HB3 CYS A 21 14.168 17.122 -43.780 1.00 61.10 H new ATOM 0 HG CYS A 21 11.078 18.125 -42.713 1.00 12.12 H new ATOM 329 N MET A 22 12.170 17.383 -40.149 1.00 3.11 N ATOM 330 CA MET A 22 11.538 18.064 -39.025 1.00 5.23 C ATOM 331 C MET A 22 11.175 17.073 -37.923 1.00 51.34 C ATOM 332 O MET A 22 11.593 15.915 -37.954 1.00 2.44 O ATOM 333 CB MET A 22 10.286 18.809 -39.491 1.00 31.14 C ATOM 334 CG MET A 22 10.125 20.182 -38.859 1.00 43.21 C ATOM 335 SD MET A 22 8.493 20.426 -38.132 1.00 63.22 S ATOM 336 CE MET A 22 7.628 21.202 -39.495 1.00 70.51 C ATOM 0 H MET A 22 11.556 16.745 -40.655 1.00 3.11 H new ATOM 0 HA MET A 22 12.250 18.784 -38.621 1.00 5.23 H new ATOM 0 HB2 MET A 22 10.321 18.919 -40.575 1.00 31.14 H new ATOM 0 HB3 MET A 22 9.408 18.206 -39.260 1.00 31.14 H new ATOM 0 HG2 MET A 22 10.885 20.314 -38.089 1.00 43.21 H new ATOM 0 HG3 MET A 22 10.300 20.948 -39.614 1.00 43.21 H new ATOM 0 HE1 MET A 22 6.556 21.035 -39.388 1.00 70.51 H new ATOM 0 HE2 MET A 22 7.830 22.273 -39.492 1.00 70.51 H new ATOM 0 HE3 MET A 22 7.970 20.771 -40.436 1.00 70.51 H new ATOM 346 N HIS A 23 10.394 17.535 -36.952 1.00 2.32 N ATOM 347 CA HIS A 23 9.974 16.689 -35.841 1.00 24.33 C ATOM 348 C HIS A 23 8.504 16.303 -35.977 1.00 4.34 C ATOM 349 O HIS A 23 7.617 17.144 -35.832 1.00 24.34 O ATOM 350 CB HIS A 23 10.205 17.406 -34.510 1.00 73.22 C ATOM 351 CG HIS A 23 11.622 17.339 -34.031 1.00 62.31 C ATOM 352 ND1 HIS A 23 12.128 18.175 -33.059 1.00 4.22 N ATOM 353 CD2 HIS A 23 12.642 16.527 -34.395 1.00 62.30 C ATOM 354 CE1 HIS A 23 13.399 17.882 -32.847 1.00 32.14 C ATOM 355 NE2 HIS A 23 13.735 16.885 -33.645 1.00 21.54 N ATOM 0 H HIS A 23 10.039 18.490 -36.912 1.00 2.32 H new ATOM 0 HA HIS A 23 10.573 15.779 -35.863 1.00 24.33 H new ATOM 0 HB2 HIS A 23 9.915 18.451 -34.615 1.00 73.22 H new ATOM 0 HB3 HIS A 23 9.553 16.969 -33.753 1.00 73.22 H new ATOM 0 HD2 HIS A 23 12.603 15.743 -35.137 1.00 62.30 H new ATOM 0 HE1 HIS A 23 14.052 18.374 -32.141 1.00 32.14 H new ATOM 0 HE2 HIS A 23 14.657 16.451 -33.696 1.00 21.54 H new ATOM 363 N GLU A 24 8.255 15.028 -36.257 1.00 23.24 N ATOM 364 CA GLU A 24 6.893 14.533 -36.414 1.00 33.25 C ATOM 365 C GLU A 24 6.615 13.387 -35.445 1.00 22.21 C ATOM 366 O GLU A 24 7.537 12.810 -34.866 1.00 13.20 O ATOM 367 CB GLU A 24 6.658 14.067 -37.852 1.00 50.41 C ATOM 368 CG GLU A 24 7.670 13.041 -38.333 1.00 4.42 C ATOM 369 CD GLU A 24 8.037 13.223 -39.793 1.00 10.21 C ATOM 370 OE1 GLU A 24 8.973 14.000 -40.077 1.00 22.34 O ATOM 371 OE2 GLU A 24 7.388 12.590 -40.651 1.00 62.14 O ATOM 0 H GLU A 24 8.978 14.319 -36.380 1.00 23.24 H new ATOM 0 HA GLU A 24 6.209 15.351 -36.188 1.00 33.25 H new ATOM 0 HB2 GLU A 24 5.658 13.641 -37.928 1.00 50.41 H new ATOM 0 HB3 GLU A 24 6.687 14.932 -38.515 1.00 50.41 H new ATOM 0 HG2 GLU A 24 8.571 13.112 -37.724 1.00 4.42 H new ATOM 0 HG3 GLU A 24 7.265 12.040 -38.186 1.00 4.42 H new ATOM 378 N THR A 25 5.338 13.061 -35.273 1.00 13.44 N ATOM 379 CA THR A 25 4.937 11.986 -34.374 1.00 3.43 C ATOM 380 C THR A 25 3.555 11.454 -34.735 1.00 25.41 C ATOM 381 O THR A 25 2.797 12.103 -35.456 1.00 3.00 O ATOM 382 CB THR A 25 4.927 12.456 -32.907 1.00 33.44 C ATOM 383 OG1 THR A 25 6.036 13.328 -32.663 1.00 72.12 O ATOM 384 CG2 THR A 25 4.992 11.268 -31.958 1.00 75.12 C ATOM 0 H THR A 25 4.563 13.527 -35.745 1.00 13.44 H new ATOM 0 HA THR A 25 5.671 11.188 -34.488 1.00 3.43 H new ATOM 0 HB THR A 25 3.996 12.994 -32.728 1.00 33.44 H new ATOM 0 HG1 THR A 25 6.021 13.623 -31.729 1.00 72.12 H new ATOM 0 HG21 THR A 25 4.984 11.624 -30.928 1.00 75.12 H new ATOM 0 HG22 THR A 25 4.131 10.621 -32.125 1.00 75.12 H new ATOM 0 HG23 THR A 25 5.908 10.706 -32.140 1.00 75.12 H new ATOM 392 N CYS A 26 3.233 10.268 -34.229 1.00 71.12 N ATOM 393 CA CYS A 26 1.942 9.647 -34.498 1.00 55.11 C ATOM 394 C CYS A 26 1.582 8.645 -33.405 1.00 73.20 C ATOM 395 O CYS A 26 2.450 7.956 -32.870 1.00 21.12 O ATOM 396 CB CYS A 26 1.961 8.949 -35.859 1.00 64.42 C ATOM 397 SG CYS A 26 0.385 9.043 -36.766 1.00 55.25 S ATOM 0 H CYS A 26 3.849 9.718 -33.630 1.00 71.12 H new ATOM 0 HA CYS A 26 1.186 10.432 -34.511 1.00 55.11 H new ATOM 0 HB2 CYS A 26 2.747 9.392 -36.471 1.00 64.42 H new ATOM 0 HB3 CYS A 26 2.222 7.901 -35.714 1.00 64.42 H new ATOM 402 N SER A 27 0.295 8.569 -33.079 1.00 43.52 N ATOM 403 CA SER A 27 -0.180 7.655 -32.048 1.00 23.52 C ATOM 404 C SER A 27 -1.701 7.546 -32.077 1.00 32.12 C ATOM 405 O SER A 27 -2.407 8.553 -32.050 1.00 74.11 O ATOM 406 CB SER A 27 0.283 8.124 -30.667 1.00 41.13 C ATOM 407 OG SER A 27 -0.764 8.782 -29.975 1.00 44.20 O ATOM 0 H SER A 27 -0.437 9.130 -33.515 1.00 43.52 H new ATOM 0 HA SER A 27 0.241 6.670 -32.249 1.00 23.52 H new ATOM 0 HB2 SER A 27 0.627 7.269 -30.085 1.00 41.13 H new ATOM 0 HB3 SER A 27 1.133 8.798 -30.774 1.00 41.13 H new ATOM 0 HG SER A 27 -0.444 9.071 -29.095 1.00 44.20 H new ATOM 413 N GLY A 28 -2.200 6.314 -32.132 1.00 5.30 N ATOM 414 CA GLY A 28 -3.634 6.095 -32.164 1.00 43.10 C ATOM 415 C GLY A 28 -4.046 4.844 -31.414 1.00 1.12 C ATOM 416 O GLY A 28 -3.753 3.729 -31.844 1.00 10.25 O ATOM 0 H GLY A 28 -1.636 5.464 -32.155 1.00 5.30 H new ATOM 0 HA2 GLY A 28 -4.140 6.958 -31.731 1.00 43.10 H new ATOM 0 HA3 GLY A 28 -3.964 6.019 -33.200 1.00 43.10 H new ATOM 420 N GLY A 29 -4.727 5.029 -30.287 1.00 31.11 N ATOM 421 CA GLY A 29 -5.167 3.897 -29.492 1.00 54.32 C ATOM 422 C GLY A 29 -4.700 3.983 -28.053 1.00 24.41 C ATOM 423 O GLY A 29 -4.432 2.962 -27.418 1.00 14.22 O ATOM 0 H GLY A 29 -4.982 5.942 -29.910 1.00 31.11 H new ATOM 0 HA2 GLY A 29 -6.255 3.842 -29.515 1.00 54.32 H new ATOM 0 HA3 GLY A 29 -4.792 2.976 -29.938 1.00 54.32 H new ATOM 427 N PHE A 30 -4.598 5.203 -27.537 1.00 33.14 N ATOM 428 CA PHE A 30 -4.157 5.418 -26.164 1.00 24.14 C ATOM 429 C PHE A 30 -4.181 6.902 -25.811 1.00 5.23 C ATOM 430 O PHE A 30 -4.951 7.335 -24.954 1.00 1.23 O ATOM 431 CB PHE A 30 -2.747 4.858 -25.965 1.00 63.43 C ATOM 432 CG PHE A 30 -2.148 5.199 -24.631 1.00 11.03 C ATOM 433 CD1 PHE A 30 -2.492 4.479 -23.498 1.00 21.01 C ATOM 434 CD2 PHE A 30 -1.241 6.239 -24.509 1.00 54.50 C ATOM 435 CE1 PHE A 30 -1.943 4.792 -22.269 1.00 32.34 C ATOM 436 CE2 PHE A 30 -0.689 6.557 -23.282 1.00 60.43 C ATOM 437 CZ PHE A 30 -1.040 5.831 -22.161 1.00 23.12 C ATOM 0 H PHE A 30 -4.815 6.058 -28.049 1.00 33.14 H new ATOM 0 HA PHE A 30 -4.846 4.894 -25.502 1.00 24.14 H new ATOM 0 HB2 PHE A 30 -2.777 3.774 -26.074 1.00 63.43 H new ATOM 0 HB3 PHE A 30 -2.099 5.240 -26.754 1.00 63.43 H new ATOM 0 HD1 PHE A 30 -3.197 3.664 -23.576 1.00 21.01 H new ATOM 0 HD2 PHE A 30 -0.962 6.808 -25.383 1.00 54.50 H new ATOM 0 HE1 PHE A 30 -2.220 4.224 -21.393 1.00 32.34 H new ATOM 0 HE2 PHE A 30 0.015 7.372 -23.200 1.00 60.43 H new ATOM 0 HZ PHE A 30 -0.609 6.075 -21.201 1.00 23.12 H new ATOM 447 N SER A 31 -3.331 7.677 -26.477 1.00 64.45 N ATOM 448 CA SER A 31 -3.250 9.112 -26.232 1.00 32.20 C ATOM 449 C SER A 31 -3.804 9.897 -27.417 1.00 4.41 C ATOM 450 O SER A 31 -4.253 11.035 -27.268 1.00 24.33 O ATOM 451 CB SER A 31 -1.802 9.524 -25.964 1.00 4.32 C ATOM 452 OG SER A 31 -1.524 9.537 -24.574 1.00 62.03 O ATOM 0 H SER A 31 -2.688 7.335 -27.191 1.00 64.45 H new ATOM 0 HA SER A 31 -3.853 9.341 -25.353 1.00 32.20 H new ATOM 0 HB2 SER A 31 -1.125 8.833 -26.467 1.00 4.32 H new ATOM 0 HB3 SER A 31 -1.618 10.513 -26.384 1.00 4.32 H new ATOM 0 HG SER A 31 -1.339 8.624 -24.269 1.00 62.03 H new ATOM 458 N LEU A 32 -3.768 9.283 -28.594 1.00 51.12 N ATOM 459 CA LEU A 32 -4.266 9.924 -29.807 1.00 21.53 C ATOM 460 C LEU A 32 -3.579 11.267 -30.034 1.00 74.53 C ATOM 461 O LEU A 32 -4.025 12.297 -29.530 1.00 10.42 O ATOM 462 CB LEU A 32 -5.780 10.120 -29.718 1.00 53.43 C ATOM 463 CG LEU A 32 -6.468 10.614 -30.991 1.00 54.33 C ATOM 464 CD1 LEU A 32 -7.501 9.604 -31.467 1.00 23.35 C ATOM 465 CD2 LEU A 32 -7.117 11.971 -30.755 1.00 65.33 C ATOM 0 H LEU A 32 -3.399 8.342 -28.735 1.00 51.12 H new ATOM 0 HA LEU A 32 -4.039 9.274 -30.652 1.00 21.53 H new ATOM 0 HB2 LEU A 32 -6.233 9.172 -29.429 1.00 53.43 H new ATOM 0 HB3 LEU A 32 -5.988 10.830 -28.917 1.00 53.43 H new ATOM 0 HG LEU A 32 -5.712 10.724 -31.769 1.00 54.33 H new ATOM 0 HD11 LEU A 32 -7.980 9.973 -32.374 1.00 23.35 H new ATOM 0 HD12 LEU A 32 -7.011 8.653 -31.677 1.00 23.35 H new ATOM 0 HD13 LEU A 32 -8.254 9.461 -30.692 1.00 23.35 H new ATOM 0 HD21 LEU A 32 -7.602 12.307 -31.672 1.00 65.33 H new ATOM 0 HD22 LEU A 32 -7.860 11.886 -29.962 1.00 65.33 H new ATOM 0 HD23 LEU A 32 -6.355 12.693 -30.462 1.00 65.33 H new ATOM 477 N LYS A 33 -2.493 11.248 -30.799 1.00 71.31 N ATOM 478 CA LYS A 33 -1.746 12.464 -31.098 1.00 21.43 C ATOM 479 C LYS A 33 -0.780 12.238 -32.257 1.00 12.13 C ATOM 480 O LYS A 33 -0.480 11.100 -32.614 1.00 73.22 O ATOM 481 CB LYS A 33 -0.975 12.930 -29.861 1.00 24.43 C ATOM 482 CG LYS A 33 0.086 11.945 -29.399 1.00 11.33 C ATOM 483 CD LYS A 33 1.419 12.634 -29.159 1.00 62.34 C ATOM 484 CE LYS A 33 1.363 13.551 -27.948 1.00 2.24 C ATOM 485 NZ LYS A 33 2.721 13.983 -27.516 1.00 24.04 N ATOM 0 H LYS A 33 -2.110 10.403 -31.224 1.00 71.31 H new ATOM 0 HA LYS A 33 -2.458 13.237 -31.387 1.00 21.43 H new ATOM 0 HB2 LYS A 33 -0.501 13.887 -30.078 1.00 24.43 H new ATOM 0 HB3 LYS A 33 -1.679 13.101 -29.047 1.00 24.43 H new ATOM 0 HG2 LYS A 33 -0.243 11.458 -28.481 1.00 11.33 H new ATOM 0 HG3 LYS A 33 0.209 11.163 -30.148 1.00 11.33 H new ATOM 0 HD2 LYS A 33 2.196 11.884 -29.013 1.00 62.34 H new ATOM 0 HD3 LYS A 33 1.695 13.211 -30.041 1.00 62.34 H new ATOM 0 HE2 LYS A 33 0.761 14.428 -28.184 1.00 2.24 H new ATOM 0 HE3 LYS A 33 0.867 13.036 -27.125 1.00 2.24 H new ATOM 0 HZ1 LYS A 33 2.640 14.607 -26.688 1.00 24.04 H new ATOM 0 HZ2 LYS A 33 3.288 13.148 -27.266 1.00 24.04 H new ATOM 0 HZ3 LYS A 33 3.185 14.497 -28.292 1.00 24.04 H new ATOM 499 N ASN A 34 -0.296 13.330 -32.839 1.00 1.43 N ATOM 500 CA ASN A 34 0.637 13.251 -33.957 1.00 11.00 C ATOM 501 C ASN A 34 1.224 14.623 -34.274 1.00 52.12 C ATOM 502 O ASN A 34 0.516 15.630 -34.263 1.00 52.21 O ATOM 503 CB ASN A 34 -0.064 12.685 -35.194 1.00 11.43 C ATOM 504 CG ASN A 34 -1.296 13.484 -35.576 1.00 65.41 C ATOM 505 OD1 ASN A 34 -1.247 14.333 -36.466 1.00 4.34 O ATOM 506 ND2 ASN A 34 -2.408 13.213 -34.903 1.00 51.24 N ATOM 0 H ASN A 34 -0.534 14.280 -32.555 1.00 1.43 H new ATOM 0 HA ASN A 34 1.451 12.585 -33.672 1.00 11.00 H new ATOM 0 HB2 ASN A 34 0.634 12.675 -36.031 1.00 11.43 H new ATOM 0 HB3 ASN A 34 -0.349 11.650 -35.005 1.00 11.43 H new ATOM 0 HD21 ASN A 34 -3.269 13.717 -35.116 1.00 51.24 H new ATOM 0 HD22 ASN A 34 -2.402 12.501 -34.173 1.00 51.24 H new ATOM 513 N ASP A 35 2.521 14.654 -34.557 1.00 44.23 N ATOM 514 CA ASP A 35 3.204 15.902 -34.880 1.00 31.14 C ATOM 515 C ASP A 35 3.430 16.025 -36.383 1.00 71.02 C ATOM 516 O ASP A 35 3.982 15.123 -37.015 1.00 13.42 O ATOM 517 CB ASP A 35 4.541 15.982 -34.142 1.00 65.31 C ATOM 518 CG ASP A 35 4.461 16.829 -32.887 1.00 62.24 C ATOM 519 OD1 ASP A 35 3.882 16.355 -31.888 1.00 21.30 O ATOM 520 OD2 ASP A 35 4.977 17.966 -32.905 1.00 53.42 O ATOM 0 H ASP A 35 3.121 13.829 -34.569 1.00 44.23 H new ATOM 0 HA ASP A 35 2.570 16.728 -34.558 1.00 31.14 H new ATOM 0 HB2 ASP A 35 4.867 14.976 -33.878 1.00 65.31 H new ATOM 0 HB3 ASP A 35 5.296 16.397 -34.809 1.00 65.31 H new ATOM 525 N CYS A 36 2.999 17.146 -36.951 1.00 51.23 N ATOM 526 CA CYS A 36 3.152 17.388 -38.381 1.00 21.31 C ATOM 527 C CYS A 36 4.597 17.166 -38.818 1.00 61.42 C ATOM 528 O CYS A 36 5.487 16.987 -37.987 1.00 23.10 O ATOM 529 CB CYS A 36 2.716 18.812 -38.728 1.00 53.34 C ATOM 530 SG CYS A 36 1.018 18.932 -39.379 1.00 44.30 S ATOM 0 H CYS A 36 2.541 17.902 -36.443 1.00 51.23 H new ATOM 0 HA CYS A 36 2.517 16.681 -38.914 1.00 21.31 H new ATOM 0 HB2 CYS A 36 2.796 19.433 -37.836 1.00 53.34 H new ATOM 0 HB3 CYS A 36 3.406 19.222 -39.465 1.00 53.34 H new ATOM 0 HG CYS A 36 0.381 17.825 -39.137 1.00 44.30 H new ATOM 535 N TRP A 37 4.821 17.179 -40.127 1.00 65.51 N ATOM 536 CA TRP A 37 6.158 16.979 -40.675 1.00 63.22 C ATOM 537 C TRP A 37 6.674 18.255 -41.330 1.00 42.25 C ATOM 538 O TRP A 37 6.092 19.328 -41.167 1.00 71.22 O ATOM 539 CB TRP A 37 6.149 15.836 -41.692 1.00 45.31 C ATOM 540 CG TRP A 37 5.234 16.082 -42.853 1.00 61.32 C ATOM 541 CD1 TRP A 37 3.872 15.987 -42.857 1.00 73.22 C ATOM 542 CD2 TRP A 37 5.616 16.461 -44.180 1.00 72.41 C ATOM 543 NE1 TRP A 37 3.383 16.284 -44.107 1.00 24.22 N ATOM 544 CE2 TRP A 37 4.433 16.579 -44.936 1.00 60.31 C ATOM 545 CE3 TRP A 37 6.841 16.714 -44.803 1.00 30.43 C ATOM 546 CZ2 TRP A 37 4.443 16.937 -46.281 1.00 55.24 C ATOM 547 CZ3 TRP A 37 6.849 17.069 -46.138 1.00 73.00 C ATOM 548 CH2 TRP A 37 5.656 17.179 -46.865 1.00 42.05 C ATOM 0 H TRP A 37 4.095 17.326 -40.828 1.00 65.51 H new ATOM 0 HA TRP A 37 6.826 16.719 -39.853 1.00 63.22 H new ATOM 0 HB2 TRP A 37 7.162 15.681 -42.063 1.00 45.31 H new ATOM 0 HB3 TRP A 37 5.849 14.916 -41.191 1.00 45.31 H new ATOM 0 HD1 TRP A 37 3.268 15.718 -42.003 1.00 73.22 H new ATOM 0 HE1 TRP A 37 2.399 16.285 -44.374 1.00 24.22 H new ATOM 0 HE3 TRP A 37 7.765 16.633 -44.250 1.00 30.43 H new ATOM 0 HZ2 TRP A 37 3.525 17.021 -46.844 1.00 55.24 H new ATOM 0 HZ3 TRP A 37 7.790 17.265 -46.630 1.00 73.00 H new ATOM 0 HH2 TRP A 37 5.695 17.460 -47.907 1.00 42.05 H new ATOM 559 N CYS A 38 7.770 18.133 -42.073 1.00 14.03 N ATOM 560 CA CYS A 38 8.364 19.277 -42.753 1.00 5.01 C ATOM 561 C CYS A 38 7.295 20.108 -43.456 1.00 42.12 C ATOM 562 O CYS A 38 6.278 19.579 -43.905 1.00 52.33 O ATOM 563 CB CYS A 38 9.410 18.807 -43.767 1.00 14.22 C ATOM 564 SG CYS A 38 10.716 17.755 -43.055 1.00 54.41 S ATOM 0 H CYS A 38 8.264 17.253 -42.219 1.00 14.03 H new ATOM 0 HA CYS A 38 8.849 19.902 -42.003 1.00 5.01 H new ATOM 0 HB2 CYS A 38 8.908 18.256 -44.562 1.00 14.22 H new ATOM 0 HB3 CYS A 38 9.872 19.680 -44.227 1.00 14.22 H new ATOM 0 HG CYS A 38 11.702 17.657 -43.897 1.00 54.41 H new ATOM 569 N CYS A 39 7.533 21.412 -43.548 1.00 50.24 N ATOM 570 CA CYS A 39 6.592 22.318 -44.196 1.00 72.43 C ATOM 571 C CYS A 39 7.174 22.871 -45.494 1.00 24.52 C ATOM 572 O CYS A 39 8.168 22.357 -46.010 1.00 30.12 O ATOM 573 CB CYS A 39 6.230 23.469 -43.256 1.00 34.32 C ATOM 574 SG CYS A 39 4.446 23.830 -43.175 1.00 72.31 S ATOM 0 H CYS A 39 8.370 21.865 -43.182 1.00 50.24 H new ATOM 0 HA CYS A 39 5.690 21.754 -44.434 1.00 72.43 H new ATOM 0 HB2 CYS A 39 6.588 23.232 -42.254 1.00 34.32 H new ATOM 0 HB3 CYS A 39 6.757 24.367 -43.578 1.00 34.32 H new ATOM 0 HG CYS A 39 4.066 24.393 -44.283 1.00 72.31 H new ATOM 579 N LEU A 40 6.550 23.920 -46.016 1.00 11.31 N ATOM 580 CA LEU A 40 7.006 24.544 -47.253 1.00 53.33 C ATOM 581 C LEU A 40 8.508 24.804 -47.211 1.00 22.12 C ATOM 582 O LEU A 40 9.230 24.487 -48.157 1.00 32.05 O ATOM 583 CB LEU A 40 6.256 25.856 -47.492 1.00 45.31 C ATOM 584 CG LEU A 40 5.717 26.074 -48.906 1.00 64.44 C ATOM 585 CD1 LEU A 40 4.858 27.327 -48.963 1.00 75.33 C ATOM 586 CD2 LEU A 40 6.862 26.164 -49.905 1.00 72.03 C ATOM 0 H LEU A 40 5.726 24.357 -45.602 1.00 11.31 H new ATOM 0 HA LEU A 40 6.798 23.859 -48.075 1.00 53.33 H new ATOM 0 HB2 LEU A 40 5.420 25.905 -46.795 1.00 45.31 H new ATOM 0 HB3 LEU A 40 6.924 26.682 -47.248 1.00 45.31 H new ATOM 0 HG LEU A 40 5.095 25.220 -49.172 1.00 64.44 H new ATOM 0 HD11 LEU A 40 4.483 27.466 -49.977 1.00 75.33 H new ATOM 0 HD12 LEU A 40 4.018 27.223 -48.277 1.00 75.33 H new ATOM 0 HD13 LEU A 40 5.456 28.192 -48.676 1.00 75.33 H new ATOM 0 HD21 LEU A 40 6.460 26.319 -50.906 1.00 72.03 H new ATOM 0 HD22 LEU A 40 7.511 26.999 -49.641 1.00 72.03 H new ATOM 0 HD23 LEU A 40 7.437 25.238 -49.884 1.00 72.03 H new ATOM 598 N ARG A 41 8.973 25.380 -46.107 1.00 51.42 N ATOM 599 CA ARG A 41 10.390 25.682 -45.941 1.00 73.50 C ATOM 600 C ARG A 41 10.655 26.315 -44.579 1.00 14.55 C ATOM 601 O ARG A 41 10.066 27.341 -44.234 1.00 51.20 O ATOM 602 CB ARG A 41 10.868 26.618 -47.053 1.00 32.54 C ATOM 603 CG ARG A 41 9.995 27.850 -47.228 1.00 64.35 C ATOM 604 CD ARG A 41 10.334 28.594 -48.511 1.00 24.14 C ATOM 605 NE ARG A 41 11.774 28.780 -48.671 1.00 10.52 N ATOM 606 CZ ARG A 41 12.357 29.029 -49.838 1.00 65.51 C ATOM 607 NH1 ARG A 41 11.628 29.120 -50.941 1.00 60.35 N ATOM 608 NH2 ARG A 41 13.673 29.186 -49.903 1.00 43.41 N ATOM 0 H ARG A 41 8.389 25.647 -45.314 1.00 51.42 H new ATOM 0 HA ARG A 41 10.945 24.746 -46.001 1.00 73.50 H new ATOM 0 HB2 ARG A 41 11.889 26.934 -46.837 1.00 32.54 H new ATOM 0 HB3 ARG A 41 10.897 26.067 -47.993 1.00 32.54 H new ATOM 0 HG2 ARG A 41 8.946 27.555 -47.243 1.00 64.35 H new ATOM 0 HG3 ARG A 41 10.127 28.515 -46.375 1.00 64.35 H new ATOM 0 HD2 ARG A 41 9.943 28.041 -49.365 1.00 24.14 H new ATOM 0 HD3 ARG A 41 9.841 29.566 -48.508 1.00 24.14 H new ATOM 0 HE ARG A 41 12.364 28.715 -47.841 1.00 10.52 H new ATOM 0 HH11 ARG A 41 10.616 28.999 -50.895 1.00 60.35 H new ATOM 0 HH12 ARG A 41 12.079 29.311 -51.836 1.00 60.35 H new ATOM 0 HH21 ARG A 41 14.237 29.115 -49.056 1.00 43.41 H new ATOM 0 HH22 ARG A 41 14.120 29.377 -50.800 1.00 43.41 H new ATOM 622 N LEU A 42 11.543 25.698 -43.808 1.00 10.45 N ATOM 623 CA LEU A 42 11.886 26.202 -42.482 1.00 21.41 C ATOM 624 C LEU A 42 13.363 25.970 -42.177 1.00 15.11 C ATOM 625 O LEU A 42 13.944 24.968 -42.594 1.00 4.32 O ATOM 626 CB LEU A 42 11.021 25.523 -41.418 1.00 3.52 C ATOM 627 CG LEU A 42 10.761 24.030 -41.616 1.00 71.14 C ATOM 628 CD1 LEU A 42 11.185 23.246 -40.385 1.00 24.45 C ATOM 629 CD2 LEU A 42 9.293 23.782 -41.929 1.00 75.53 C ATOM 0 H LEU A 42 12.039 24.848 -44.077 1.00 10.45 H new ATOM 0 HA LEU A 42 11.695 27.275 -42.467 1.00 21.41 H new ATOM 0 HB2 LEU A 42 11.498 25.663 -40.448 1.00 3.52 H new ATOM 0 HB3 LEU A 42 10.060 26.036 -41.378 1.00 3.52 H new ATOM 0 HG LEU A 42 11.356 23.686 -42.462 1.00 71.14 H new ATOM 0 HD11 LEU A 42 10.992 22.185 -40.545 1.00 24.45 H new ATOM 0 HD12 LEU A 42 12.249 23.398 -40.205 1.00 24.45 H new ATOM 0 HD13 LEU A 42 10.618 23.591 -39.521 1.00 24.45 H new ATOM 0 HD21 LEU A 42 9.126 22.714 -42.067 1.00 75.53 H new ATOM 0 HD22 LEU A 42 8.679 24.142 -41.103 1.00 75.53 H new ATOM 0 HD23 LEU A 42 9.021 24.313 -42.841 1.00 75.53 H new ATOM 641 N LYS A 43 13.963 26.902 -41.445 1.00 3.11 N ATOM 642 CA LYS A 43 15.371 26.799 -41.080 1.00 2.42 C ATOM 643 C LYS A 43 15.527 26.287 -39.652 1.00 30.43 C ATOM 644 O LYS A 43 16.486 25.583 -39.334 1.00 64.34 O ATOM 645 CB LYS A 43 16.057 28.160 -41.222 1.00 52.20 C ATOM 646 CG LYS A 43 15.702 28.889 -42.506 1.00 75.04 C ATOM 647 CD LYS A 43 14.658 29.967 -42.266 1.00 31.34 C ATOM 648 CE LYS A 43 14.413 30.795 -43.518 1.00 34.23 C ATOM 649 NZ LYS A 43 13.024 31.331 -43.565 1.00 21.11 N ATOM 0 H LYS A 43 13.496 27.738 -41.093 1.00 3.11 H new ATOM 0 HA LYS A 43 15.844 26.087 -41.757 1.00 2.42 H new ATOM 0 HB2 LYS A 43 15.784 28.785 -40.372 1.00 52.20 H new ATOM 0 HB3 LYS A 43 17.137 28.019 -41.181 1.00 52.20 H new ATOM 0 HG2 LYS A 43 16.600 29.339 -42.930 1.00 75.04 H new ATOM 0 HG3 LYS A 43 15.327 28.175 -43.239 1.00 75.04 H new ATOM 0 HD2 LYS A 43 13.724 29.505 -41.945 1.00 31.34 H new ATOM 0 HD3 LYS A 43 14.986 30.619 -41.456 1.00 31.34 H new ATOM 0 HE2 LYS A 43 15.123 31.622 -43.551 1.00 34.23 H new ATOM 0 HE3 LYS A 43 14.596 30.182 -44.401 1.00 34.23 H new ATOM 0 HZ1 LYS A 43 12.897 31.890 -44.433 1.00 21.11 H new ATOM 0 HZ2 LYS A 43 12.347 30.542 -43.559 1.00 21.11 H new ATOM 0 HZ3 LYS A 43 12.857 31.937 -42.736 1.00 21.11 H new ATOM 663 N THR A 44 14.577 26.643 -38.793 1.00 34.42 N ATOM 664 CA THR A 44 14.608 26.218 -37.399 1.00 3.31 C ATOM 665 C THR A 44 13.483 25.235 -37.098 1.00 12.33 C ATOM 666 O THR A 44 13.687 24.231 -36.415 1.00 2.52 O ATOM 667 CB THR A 44 14.494 27.421 -36.443 1.00 32.30 C ATOM 668 OG1 THR A 44 14.480 26.967 -35.085 1.00 0.22 O ATOM 669 CG2 THR A 44 13.232 28.221 -36.729 1.00 20.04 C ATOM 0 H THR A 44 13.776 27.225 -39.038 1.00 34.42 H new ATOM 0 HA THR A 44 15.568 25.726 -37.240 1.00 3.31 H new ATOM 0 HB THR A 44 15.358 28.067 -36.601 1.00 32.30 H new ATOM 0 HG1 THR A 44 14.409 27.737 -34.483 1.00 0.22 H new ATOM 0 HG21 THR A 44 13.173 29.065 -36.042 1.00 20.04 H new ATOM 0 HG22 THR A 44 13.259 28.589 -37.755 1.00 20.04 H new ATOM 0 HG23 THR A 44 12.359 27.583 -36.596 1.00 20.04 H new ATOM 677 N LYS A 45 12.293 25.529 -37.612 1.00 4.32 N ATOM 678 CA LYS A 45 11.134 24.670 -37.400 1.00 43.51 C ATOM 679 C LYS A 45 9.889 25.267 -38.048 1.00 42.24 C ATOM 680 O LYS A 45 9.016 24.540 -38.520 1.00 35.03 O ATOM 681 CB LYS A 45 10.894 24.464 -35.903 1.00 35.11 C ATOM 682 CG LYS A 45 9.521 23.899 -35.580 1.00 22.21 C ATOM 683 CD LYS A 45 9.349 23.671 -34.087 1.00 62.04 C ATOM 684 CE LYS A 45 8.499 22.442 -33.806 1.00 31.34 C ATOM 685 NZ LYS A 45 7.147 22.549 -34.422 1.00 25.11 N ATOM 0 H LYS A 45 12.106 26.356 -38.179 1.00 4.32 H new ATOM 0 HA LYS A 45 11.337 23.706 -37.865 1.00 43.51 H new ATOM 0 HB2 LYS A 45 11.656 23.791 -35.510 1.00 35.11 H new ATOM 0 HB3 LYS A 45 11.015 25.418 -35.389 1.00 35.11 H new ATOM 0 HG2 LYS A 45 8.752 24.585 -35.935 1.00 22.21 H new ATOM 0 HG3 LYS A 45 9.380 22.958 -36.111 1.00 22.21 H new ATOM 0 HD2 LYS A 45 10.327 23.553 -33.621 1.00 62.04 H new ATOM 0 HD3 LYS A 45 8.884 24.547 -33.635 1.00 62.04 H new ATOM 0 HE2 LYS A 45 9.004 21.556 -34.190 1.00 31.34 H new ATOM 0 HE3 LYS A 45 8.398 22.309 -32.729 1.00 31.34 H new ATOM 0 HZ1 LYS A 45 6.554 21.759 -34.097 1.00 25.11 H new ATOM 0 HZ2 LYS A 45 6.708 23.449 -34.142 1.00 25.11 H new ATOM 0 HZ3 LYS A 45 7.234 22.514 -35.458 1.00 25.11 H new ATOM 699 N GLN A 46 9.817 26.594 -38.069 1.00 53.22 N ATOM 700 CA GLN A 46 8.678 27.287 -38.661 1.00 4.31 C ATOM 701 C GLN A 46 9.143 28.423 -39.567 1.00 23.41 C ATOM 702 O GLN A 46 10.215 28.993 -39.364 1.00 33.14 O ATOM 703 CB GLN A 46 7.763 27.836 -37.565 1.00 74.33 C ATOM 704 CG GLN A 46 8.466 28.774 -36.598 1.00 13.02 C ATOM 705 CD GLN A 46 7.991 30.208 -36.727 1.00 2.02 C ATOM 706 OE1 GLN A 46 6.858 30.533 -36.373 1.00 14.25 O ATOM 707 NE2 GLN A 46 8.858 31.075 -37.236 1.00 3.30 N ATOM 0 H GLN A 46 10.533 27.210 -37.684 1.00 53.22 H new ATOM 0 HA GLN A 46 8.122 26.570 -39.264 1.00 4.31 H new ATOM 0 HB2 GLN A 46 6.930 28.364 -38.029 1.00 74.33 H new ATOM 0 HB3 GLN A 46 7.339 27.002 -37.006 1.00 74.33 H new ATOM 0 HG2 GLN A 46 8.298 28.430 -35.577 1.00 13.02 H new ATOM 0 HG3 GLN A 46 9.541 28.734 -36.775 1.00 13.02 H new ATOM 0 HE21 GLN A 46 9.787 30.762 -37.516 1.00 3.30 H new ATOM 0 HE22 GLN A 46 8.595 32.054 -37.347 1.00 3.30 H new ATOM 716 N ALA A 47 8.330 28.745 -40.568 1.00 5.14 N ATOM 717 CA ALA A 47 8.658 29.813 -41.504 1.00 11.42 C ATOM 718 C ALA A 47 7.563 29.979 -42.553 1.00 24.34 C ATOM 719 O ALA A 47 6.762 30.911 -42.486 1.00 3.22 O ATOM 720 CB ALA A 47 9.996 29.537 -42.173 1.00 72.44 C ATOM 0 H ALA A 47 7.440 28.282 -40.751 1.00 5.14 H new ATOM 0 HA ALA A 47 8.731 30.745 -40.943 1.00 11.42 H new ATOM 0 HB1 ALA A 47 10.228 30.343 -42.869 1.00 72.44 H new ATOM 0 HB2 ALA A 47 10.777 29.477 -41.415 1.00 72.44 H new ATOM 0 HB3 ALA A 47 9.944 28.593 -42.715 1.00 72.44 H new ATOM 726 N ARG A 48 7.536 29.069 -43.521 1.00 33.32 N ATOM 727 CA ARG A 48 6.540 29.115 -44.585 1.00 43.50 C ATOM 728 C ARG A 48 5.708 27.837 -44.608 1.00 22.43 C ATOM 729 O ARG A 48 6.243 26.738 -44.761 1.00 73.04 O ATOM 730 CB ARG A 48 7.221 29.318 -45.940 1.00 54.11 C ATOM 731 CG ARG A 48 6.956 30.682 -46.557 1.00 32.14 C ATOM 732 CD ARG A 48 5.471 30.908 -46.791 1.00 54.34 C ATOM 733 NE ARG A 48 5.218 32.115 -47.574 1.00 12.54 N ATOM 734 CZ ARG A 48 4.026 32.695 -47.666 1.00 3.32 C ATOM 735 NH1 ARG A 48 2.984 32.181 -47.028 1.00 0.35 N ATOM 736 NH2 ARG A 48 3.876 33.792 -48.397 1.00 54.13 N ATOM 0 H ARG A 48 8.192 28.291 -43.591 1.00 33.32 H new ATOM 0 HA ARG A 48 5.875 29.956 -44.390 1.00 43.50 H new ATOM 0 HB2 ARG A 48 8.296 29.186 -45.820 1.00 54.11 H new ATOM 0 HB3 ARG A 48 6.879 28.545 -46.628 1.00 54.11 H new ATOM 0 HG2 ARG A 48 7.345 31.461 -45.901 1.00 32.14 H new ATOM 0 HG3 ARG A 48 7.491 30.765 -47.503 1.00 32.14 H new ATOM 0 HD2 ARG A 48 5.050 30.046 -47.308 1.00 54.34 H new ATOM 0 HD3 ARG A 48 4.960 30.985 -45.831 1.00 54.34 H new ATOM 0 HE ARG A 48 5.999 32.536 -48.078 1.00 12.54 H new ATOM 0 HH11 ARG A 48 3.096 31.338 -46.465 1.00 0.35 H new ATOM 0 HH12 ARG A 48 2.070 32.628 -47.100 1.00 0.35 H new ATOM 0 HH21 ARG A 48 4.676 34.191 -48.889 1.00 54.13 H new ATOM 0 HH22 ARG A 48 2.961 34.237 -48.467 1.00 54.13 H new ATOM 750 N CYS A 49 4.397 27.987 -44.453 1.00 40.22 N ATOM 751 CA CYS A 49 3.490 26.846 -44.455 1.00 23.32 C ATOM 752 C CYS A 49 2.086 27.267 -44.877 1.00 52.21 C ATOM 753 O CYS A 49 1.841 28.437 -45.173 1.00 75.41 O ATOM 754 CB CYS A 49 3.446 26.201 -43.068 1.00 13.21 C ATOM 755 SG CYS A 49 3.666 24.393 -43.081 1.00 31.11 S ATOM 0 H CYS A 49 3.939 28.889 -44.324 1.00 40.22 H new ATOM 0 HA CYS A 49 3.863 26.118 -45.176 1.00 23.32 H new ATOM 0 HB2 CYS A 49 4.223 26.646 -42.447 1.00 13.21 H new ATOM 0 HB3 CYS A 49 2.490 26.437 -42.600 1.00 13.21 H new ATOM 0 HG CYS A 49 4.617 24.078 -43.909 1.00 31.11 H new ATOM 760 N TRP A 50 1.169 26.307 -44.902 1.00 53.01 N ATOM 761 CA TRP A 50 -0.211 26.578 -45.288 1.00 15.51 C ATOM 762 C TRP A 50 -1.164 26.312 -44.127 1.00 45.31 C ATOM 763 O TRP A 50 -1.048 25.300 -43.436 1.00 13.13 O ATOM 764 CB TRP A 50 -0.604 25.721 -46.492 1.00 41.34 C ATOM 765 CG TRP A 50 -0.157 24.295 -46.377 1.00 53.34 C ATOM 766 CD1 TRP A 50 -0.933 23.217 -46.060 1.00 64.45 C ATOM 767 CD2 TRP A 50 1.169 23.794 -46.577 1.00 30.05 C ATOM 768 NE1 TRP A 50 -0.168 22.075 -46.051 1.00 31.15 N ATOM 769 CE2 TRP A 50 1.124 22.402 -46.365 1.00 3.02 C ATOM 770 CE3 TRP A 50 2.389 24.385 -46.915 1.00 62.21 C ATOM 771 CZ2 TRP A 50 2.253 21.595 -46.480 1.00 3.43 C ATOM 772 CZ3 TRP A 50 3.509 23.583 -47.028 1.00 72.14 C ATOM 773 CH2 TRP A 50 3.435 22.200 -46.812 1.00 52.41 C ATOM 0 H TRP A 50 1.356 25.334 -44.660 1.00 53.01 H new ATOM 0 HA TRP A 50 -0.285 27.631 -45.561 1.00 15.51 H new ATOM 0 HB2 TRP A 50 -1.687 25.746 -46.609 1.00 41.34 H new ATOM 0 HB3 TRP A 50 -0.176 26.157 -47.395 1.00 41.34 H new ATOM 0 HD1 TRP A 50 -1.991 23.256 -45.848 1.00 64.45 H new ATOM 0 HE1 TRP A 50 -0.508 21.136 -45.844 1.00 31.15 H new ATOM 0 HE3 TRP A 50 2.456 25.449 -47.085 1.00 62.21 H new ATOM 0 HZ2 TRP A 50 2.198 20.529 -46.313 1.00 3.43 H new ATOM 0 HZ3 TRP A 50 4.458 24.030 -47.287 1.00 72.14 H new ATOM 0 HH2 TRP A 50 4.328 21.600 -46.909 1.00 52.41 H new ATOM 784 N LYS A 51 -2.105 27.227 -43.918 1.00 24.32 N ATOM 785 CA LYS A 51 -3.079 27.090 -42.841 1.00 45.43 C ATOM 786 C LYS A 51 -4.090 25.994 -43.159 1.00 15.13 C ATOM 787 O LYS A 51 -4.602 25.914 -44.275 1.00 64.21 O ATOM 788 CB LYS A 51 -3.804 28.418 -42.611 1.00 72.03 C ATOM 789 CG LYS A 51 -2.869 29.608 -42.479 1.00 60.54 C ATOM 790 CD LYS A 51 -3.345 30.575 -41.409 1.00 11.20 C ATOM 791 CE LYS A 51 -2.176 31.225 -40.685 1.00 62.11 C ATOM 792 NZ LYS A 51 -1.758 30.441 -39.490 1.00 73.30 N ATOM 0 H LYS A 51 -2.214 28.071 -44.480 1.00 24.32 H new ATOM 0 HA LYS A 51 -2.544 26.813 -41.933 1.00 45.43 H new ATOM 0 HB2 LYS A 51 -4.490 28.596 -43.439 1.00 72.03 H new ATOM 0 HB3 LYS A 51 -4.409 28.340 -41.708 1.00 72.03 H new ATOM 0 HG2 LYS A 51 -1.866 29.258 -42.234 1.00 60.54 H new ATOM 0 HG3 LYS A 51 -2.801 30.127 -43.435 1.00 60.54 H new ATOM 0 HD2 LYS A 51 -3.966 31.346 -41.864 1.00 11.20 H new ATOM 0 HD3 LYS A 51 -3.970 30.045 -40.690 1.00 11.20 H new ATOM 0 HE2 LYS A 51 -1.333 31.321 -41.369 1.00 62.11 H new ATOM 0 HE3 LYS A 51 -2.454 32.233 -40.379 1.00 62.11 H new ATOM 0 HZ1 LYS A 51 -0.959 30.917 -39.025 1.00 73.30 H new ATOM 0 HZ2 LYS A 51 -2.554 30.371 -38.825 1.00 73.30 H new ATOM 0 HZ3 LYS A 51 -1.468 29.487 -39.785 1.00 73.30 H new ATOM 806 N GLU A 52 -4.376 25.153 -42.169 1.00 45.50 N ATOM 807 CA GLU A 52 -5.327 24.063 -42.344 1.00 73.24 C ATOM 808 C GLU A 52 -6.730 24.602 -42.607 1.00 54.13 C ATOM 809 O GLU A 52 -7.576 23.913 -43.178 1.00 52.33 O ATOM 810 CB GLU A 52 -5.339 23.162 -41.107 1.00 43.43 C ATOM 811 CG GLU A 52 -3.953 22.863 -40.559 1.00 54.34 C ATOM 812 CD GLU A 52 -3.754 21.393 -40.247 1.00 74.23 C ATOM 813 OE1 GLU A 52 -4.749 20.720 -39.903 1.00 40.15 O ATOM 814 OE2 GLU A 52 -2.605 20.915 -40.347 1.00 31.15 O ATOM 0 H GLU A 52 -3.962 25.207 -41.238 1.00 45.50 H new ATOM 0 HA GLU A 52 -5.013 23.477 -43.208 1.00 73.24 H new ATOM 0 HB2 GLU A 52 -5.934 23.637 -40.327 1.00 43.43 H new ATOM 0 HB3 GLU A 52 -5.832 22.223 -41.357 1.00 43.43 H new ATOM 0 HG2 GLU A 52 -3.203 23.182 -41.283 1.00 54.34 H new ATOM 0 HG3 GLU A 52 -3.790 23.448 -39.654 1.00 54.34 H new ATOM 821 N LYS A 53 -6.971 25.839 -42.186 1.00 41.10 N ATOM 822 CA LYS A 53 -8.270 26.473 -42.375 1.00 50.43 C ATOM 823 C LYS A 53 -8.456 26.911 -43.825 1.00 30.43 C ATOM 824 O LYS A 53 -9.546 26.791 -44.383 1.00 10.10 O ATOM 825 CB LYS A 53 -8.412 27.680 -41.445 1.00 44.42 C ATOM 826 CG LYS A 53 -7.354 28.747 -41.668 1.00 40.51 C ATOM 827 CD LYS A 53 -7.119 29.570 -40.413 1.00 2.44 C ATOM 828 CE LYS A 53 -7.067 31.058 -40.723 1.00 50.52 C ATOM 829 NZ LYS A 53 -8.327 31.751 -40.333 1.00 65.32 N ATOM 0 H LYS A 53 -6.283 26.423 -41.711 1.00 41.10 H new ATOM 0 HA LYS A 53 -9.041 25.742 -42.132 1.00 50.43 H new ATOM 0 HB2 LYS A 53 -9.398 28.123 -41.586 1.00 44.42 H new ATOM 0 HB3 LYS A 53 -8.360 27.339 -40.411 1.00 44.42 H new ATOM 0 HG2 LYS A 53 -6.420 28.276 -41.976 1.00 40.51 H new ATOM 0 HG3 LYS A 53 -7.663 29.403 -42.482 1.00 40.51 H new ATOM 0 HD2 LYS A 53 -7.915 29.375 -39.694 1.00 2.44 H new ATOM 0 HD3 LYS A 53 -6.184 29.262 -39.945 1.00 2.44 H new ATOM 0 HE2 LYS A 53 -6.226 31.509 -40.196 1.00 50.52 H new ATOM 0 HE3 LYS A 53 -6.889 31.201 -41.789 1.00 50.52 H new ATOM 0 HZ1 LYS A 53 -8.251 32.763 -40.561 1.00 65.32 H new ATOM 0 HZ2 LYS A 53 -9.126 31.338 -40.854 1.00 65.32 H new ATOM 0 HZ3 LYS A 53 -8.484 31.637 -39.311 1.00 65.32 H new ATOM 843 N GLU A 54 -7.385 27.416 -44.428 1.00 25.00 N ATOM 844 CA GLU A 54 -7.431 27.870 -45.813 1.00 34.21 C ATOM 845 C GLU A 54 -6.969 26.768 -46.762 1.00 40.34 C ATOM 846 O GLU A 54 -7.108 26.884 -47.980 1.00 54.02 O ATOM 847 CB GLU A 54 -6.560 29.114 -45.995 1.00 3.22 C ATOM 848 CG GLU A 54 -7.103 30.346 -45.290 1.00 41.14 C ATOM 849 CD GLU A 54 -6.612 31.638 -45.914 1.00 11.44 C ATOM 850 OE1 GLU A 54 -6.353 31.646 -47.135 1.00 52.34 O ATOM 851 OE2 GLU A 54 -6.487 32.641 -45.180 1.00 45.23 O ATOM 0 H GLU A 54 -6.475 27.521 -43.980 1.00 25.00 H new ATOM 0 HA GLU A 54 -8.464 28.122 -46.052 1.00 34.21 H new ATOM 0 HB2 GLU A 54 -5.558 28.904 -45.621 1.00 3.22 H new ATOM 0 HB3 GLU A 54 -6.464 29.328 -47.060 1.00 3.22 H new ATOM 0 HG2 GLU A 54 -8.192 30.325 -45.317 1.00 41.14 H new ATOM 0 HG3 GLU A 54 -6.809 30.319 -44.241 1.00 41.14 H new ATOM 858 N PHE A 55 -6.417 25.700 -46.196 1.00 54.20 N ATOM 859 CA PHE A 55 -5.932 24.578 -46.991 1.00 35.10 C ATOM 860 C PHE A 55 -6.267 23.250 -46.318 1.00 20.01 C ATOM 861 O PHE A 55 -5.763 22.926 -45.242 1.00 70.24 O ATOM 862 CB PHE A 55 -4.421 24.690 -47.201 1.00 70.41 C ATOM 863 CG PHE A 55 -4.043 25.416 -48.460 1.00 61.55 C ATOM 864 CD1 PHE A 55 -4.271 26.776 -48.586 1.00 50.45 C ATOM 865 CD2 PHE A 55 -3.459 24.737 -49.518 1.00 40.21 C ATOM 866 CE1 PHE A 55 -3.925 27.446 -49.745 1.00 2.44 C ATOM 867 CE2 PHE A 55 -3.110 25.402 -50.679 1.00 11.14 C ATOM 868 CZ PHE A 55 -3.342 26.759 -50.791 1.00 75.24 C ATOM 0 H PHE A 55 -6.294 25.588 -45.190 1.00 54.20 H new ATOM 0 HA PHE A 55 -6.429 24.609 -47.960 1.00 35.10 H new ATOM 0 HB2 PHE A 55 -3.981 25.206 -46.348 1.00 70.41 H new ATOM 0 HB3 PHE A 55 -3.990 23.689 -47.225 1.00 70.41 H new ATOM 0 HD1 PHE A 55 -4.724 27.319 -47.770 1.00 50.45 H new ATOM 0 HD2 PHE A 55 -3.274 23.676 -49.435 1.00 40.21 H new ATOM 0 HE1 PHE A 55 -4.111 28.506 -49.832 1.00 2.44 H new ATOM 0 HE2 PHE A 55 -2.657 24.861 -51.497 1.00 11.14 H new ATOM 0 HZ PHE A 55 -3.068 27.282 -51.695 1.00 75.24 H new ATOM 878 N PRO A 56 -7.139 22.462 -46.965 1.00 43.31 N ATOM 879 CA PRO A 56 -7.561 21.157 -46.448 1.00 62.05 C ATOM 880 C PRO A 56 -6.440 20.124 -46.498 1.00 73.12 C ATOM 881 O PRO A 56 -6.415 19.183 -45.706 1.00 11.54 O ATOM 882 CB PRO A 56 -8.700 20.755 -47.388 1.00 55.31 C ATOM 883 CG PRO A 56 -8.422 21.488 -48.655 1.00 75.54 C ATOM 884 CD PRO A 56 -7.779 22.785 -48.251 1.00 41.13 C ATOM 0 HA PRO A 56 -7.853 21.209 -45.399 1.00 62.05 H new ATOM 0 HB2 PRO A 56 -8.718 19.677 -47.550 1.00 55.31 H new ATOM 0 HB3 PRO A 56 -9.670 21.032 -46.975 1.00 55.31 H new ATOM 0 HG2 PRO A 56 -7.762 20.911 -49.303 1.00 75.54 H new ATOM 0 HG3 PRO A 56 -9.341 21.665 -49.213 1.00 75.54 H new ATOM 0 HD2 PRO A 56 -7.051 23.120 -48.990 1.00 41.13 H new ATOM 0 HD3 PRO A 56 -8.515 23.582 -48.145 1.00 41.13 H new ATOM 892 N ASN A 57 -5.515 20.306 -47.434 1.00 42.15 N ATOM 893 CA ASN A 57 -4.391 19.389 -47.587 1.00 72.02 C ATOM 894 C ASN A 57 -3.556 19.335 -46.311 1.00 71.44 C ATOM 895 O ASN A 57 -3.003 18.292 -45.964 1.00 23.03 O ATOM 896 CB ASN A 57 -3.514 19.816 -48.766 1.00 73.42 C ATOM 897 CG ASN A 57 -3.443 18.754 -49.847 1.00 44.31 C ATOM 898 OD1 ASN A 57 -3.900 18.965 -50.970 1.00 73.34 O ATOM 899 ND2 ASN A 57 -2.866 17.606 -49.511 1.00 52.14 N ATOM 0 H ASN A 57 -5.521 21.080 -48.098 1.00 42.15 H new ATOM 0 HA ASN A 57 -4.790 18.394 -47.782 1.00 72.02 H new ATOM 0 HB2 ASN A 57 -3.907 20.739 -49.192 1.00 73.42 H new ATOM 0 HB3 ASN A 57 -2.508 20.034 -48.407 1.00 73.42 H new ATOM 0 HD21 ASN A 57 -2.788 16.855 -50.196 1.00 52.14 H new ATOM 0 HD22 ASN A 57 -2.501 17.476 -48.567 1.00 52.14 H new ATOM 906 N ALA A 58 -3.471 20.465 -45.618 1.00 1.20 N ATOM 907 CA ALA A 58 -2.706 20.546 -44.380 1.00 32.13 C ATOM 908 C ALA A 58 -3.197 19.521 -43.363 1.00 71.54 C ATOM 909 O ALA A 58 -2.404 18.785 -42.775 1.00 72.45 O ATOM 910 CB ALA A 58 -2.790 21.950 -43.799 1.00 24.45 C ATOM 0 H ALA A 58 -3.923 21.337 -45.893 1.00 1.20 H new ATOM 0 HA ALA A 58 -1.665 20.321 -44.610 1.00 32.13 H new ATOM 0 HB1 ALA A 58 -2.214 21.996 -42.875 1.00 24.45 H new ATOM 0 HB2 ALA A 58 -2.385 22.665 -44.515 1.00 24.45 H new ATOM 0 HB3 ALA A 58 -3.831 22.196 -43.591 1.00 24.45 H new ATOM 916 N LYS A 59 -4.509 19.477 -43.160 1.00 55.32 N ATOM 917 CA LYS A 59 -5.107 18.542 -42.215 1.00 75.21 C ATOM 918 C LYS A 59 -4.955 17.104 -42.702 1.00 41.41 C ATOM 919 O LYS A 59 -4.686 16.198 -41.914 1.00 43.41 O ATOM 920 CB LYS A 59 -6.589 18.868 -42.011 1.00 63.12 C ATOM 921 CG LYS A 59 -7.283 17.950 -41.020 1.00 23.12 C ATOM 922 CD LYS A 59 -8.601 17.430 -41.569 1.00 42.51 C ATOM 923 CE LYS A 59 -8.401 16.174 -42.402 1.00 61.40 C ATOM 924 NZ LYS A 59 -9.508 15.973 -43.378 1.00 20.25 N ATOM 0 H LYS A 59 -5.179 20.079 -43.638 1.00 55.32 H new ATOM 0 HA LYS A 59 -4.585 18.642 -41.264 1.00 75.21 H new ATOM 0 HB2 LYS A 59 -6.682 19.898 -41.666 1.00 63.12 H new ATOM 0 HB3 LYS A 59 -7.101 18.806 -42.971 1.00 63.12 H new ATOM 0 HG2 LYS A 59 -6.630 17.110 -40.782 1.00 23.12 H new ATOM 0 HG3 LYS A 59 -7.463 18.488 -40.089 1.00 23.12 H new ATOM 0 HD2 LYS A 59 -9.281 17.216 -40.744 1.00 42.51 H new ATOM 0 HD3 LYS A 59 -9.072 18.201 -42.179 1.00 42.51 H new ATOM 0 HE2 LYS A 59 -7.453 16.240 -42.936 1.00 61.40 H new ATOM 0 HE3 LYS A 59 -8.336 15.308 -41.743 1.00 61.40 H new ATOM 0 HZ1 LYS A 59 -9.334 15.106 -43.926 1.00 20.25 H new ATOM 0 HZ2 LYS A 59 -10.410 15.885 -42.867 1.00 20.25 H new ATOM 0 HZ3 LYS A 59 -9.554 16.787 -44.023 1.00 20.25 H new ATOM 938 N GLU A 60 -5.127 16.904 -44.005 1.00 13.10 N ATOM 939 CA GLU A 60 -5.008 15.576 -44.595 1.00 43.25 C ATOM 940 C GLU A 60 -3.589 15.037 -44.438 1.00 60.43 C ATOM 941 O GLU A 60 -3.390 13.888 -44.040 1.00 61.04 O ATOM 942 CB GLU A 60 -5.389 15.616 -46.077 1.00 4.31 C ATOM 943 CG GLU A 60 -6.252 14.445 -46.515 1.00 50.42 C ATOM 944 CD GLU A 60 -7.080 14.760 -47.746 1.00 70.41 C ATOM 945 OE1 GLU A 60 -6.488 15.151 -48.774 1.00 75.22 O ATOM 946 OE2 GLU A 60 -8.319 14.615 -47.681 1.00 64.05 O ATOM 0 H GLU A 60 -5.349 17.644 -44.671 1.00 13.10 H new ATOM 0 HA GLU A 60 -5.692 14.910 -44.069 1.00 43.25 H new ATOM 0 HB2 GLU A 60 -5.921 16.545 -46.282 1.00 4.31 H new ATOM 0 HB3 GLU A 60 -4.479 15.631 -46.677 1.00 4.31 H new ATOM 0 HG2 GLU A 60 -5.614 13.585 -46.721 1.00 50.42 H new ATOM 0 HG3 GLU A 60 -6.915 14.162 -45.698 1.00 50.42 H new ATOM 953 N LEU A 61 -2.606 15.873 -44.754 1.00 32.22 N ATOM 954 CA LEU A 61 -1.205 15.481 -44.649 1.00 1.05 C ATOM 955 C LEU A 61 -0.815 15.238 -43.194 1.00 11.40 C ATOM 956 O LEU A 61 -0.129 14.266 -42.878 1.00 4.32 O ATOM 957 CB LEU A 61 -0.306 16.560 -45.256 1.00 74.42 C ATOM 958 CG LEU A 61 -0.587 16.923 -46.715 1.00 3.44 C ATOM 959 CD1 LEU A 61 -0.292 18.394 -46.964 1.00 1.40 C ATOM 960 CD2 LEU A 61 0.234 16.047 -47.650 1.00 54.20 C ATOM 0 H LEU A 61 -2.753 16.826 -45.085 1.00 32.22 H new ATOM 0 HA LEU A 61 -1.071 14.551 -45.202 1.00 1.05 H new ATOM 0 HB2 LEU A 61 -0.398 17.463 -44.653 1.00 74.42 H new ATOM 0 HB3 LEU A 61 0.729 16.229 -45.177 1.00 74.42 H new ATOM 0 HG LEU A 61 -1.643 16.745 -46.917 1.00 3.44 H new ATOM 0 HD11 LEU A 61 -0.497 18.635 -48.007 1.00 1.40 H new ATOM 0 HD12 LEU A 61 -0.923 19.006 -46.319 1.00 1.40 H new ATOM 0 HD13 LEU A 61 0.756 18.597 -46.744 1.00 1.40 H new ATOM 0 HD21 LEU A 61 0.021 16.319 -48.684 1.00 54.20 H new ATOM 0 HD22 LEU A 61 1.295 16.193 -47.447 1.00 54.20 H new ATOM 0 HD23 LEU A 61 -0.025 15.001 -47.490 1.00 54.20 H new ATOM 972 N CYS A 62 -1.259 16.127 -42.312 1.00 12.23 N ATOM 973 CA CYS A 62 -0.959 16.010 -40.890 1.00 31.21 C ATOM 974 C CYS A 62 -1.560 14.732 -40.311 1.00 11.33 C ATOM 975 O CYS A 62 -0.934 14.051 -39.498 1.00 43.44 O ATOM 976 CB CYS A 62 -1.493 17.227 -40.132 1.00 74.13 C ATOM 977 SG CYS A 62 -0.215 18.448 -39.691 1.00 35.12 S ATOM 0 H CYS A 62 -1.828 16.937 -42.557 1.00 12.23 H new ATOM 0 HA CYS A 62 0.124 15.966 -40.775 1.00 31.21 H new ATOM 0 HB2 CYS A 62 -2.253 17.716 -40.741 1.00 74.13 H new ATOM 0 HB3 CYS A 62 -1.985 16.887 -39.221 1.00 74.13 H new ATOM 0 HG CYS A 62 0.956 17.987 -40.017 1.00 35.12 H new ATOM 982 N PHE A 63 -2.778 14.413 -40.735 1.00 14.23 N ATOM 983 CA PHE A 63 -3.465 13.218 -40.258 1.00 51.22 C ATOM 984 C PHE A 63 -2.774 11.956 -40.765 1.00 32.50 C ATOM 985 O PHE A 63 -2.602 10.989 -40.023 1.00 32.00 O ATOM 986 CB PHE A 63 -4.927 13.230 -40.710 1.00 62.33 C ATOM 987 CG PHE A 63 -5.865 13.807 -39.690 1.00 14.04 C ATOM 988 CD1 PHE A 63 -5.686 15.096 -39.214 1.00 44.14 C ATOM 989 CD2 PHE A 63 -6.927 13.060 -39.205 1.00 12.42 C ATOM 990 CE1 PHE A 63 -6.548 15.631 -38.275 1.00 64.54 C ATOM 991 CE2 PHE A 63 -7.793 13.590 -38.266 1.00 64.42 C ATOM 992 CZ PHE A 63 -7.602 14.876 -37.800 1.00 60.20 C ATOM 0 H PHE A 63 -3.310 14.965 -41.408 1.00 14.23 H new ATOM 0 HA PHE A 63 -3.429 13.218 -39.169 1.00 51.22 H new ATOM 0 HB2 PHE A 63 -5.009 13.804 -41.633 1.00 62.33 H new ATOM 0 HB3 PHE A 63 -5.236 12.210 -40.940 1.00 62.33 H new ATOM 0 HD1 PHE A 63 -4.862 15.690 -39.581 1.00 44.14 H new ATOM 0 HD2 PHE A 63 -7.080 12.053 -39.564 1.00 12.42 H new ATOM 0 HE1 PHE A 63 -6.397 16.638 -37.914 1.00 64.54 H new ATOM 0 HE2 PHE A 63 -8.618 12.999 -37.897 1.00 64.42 H new ATOM 0 HZ PHE A 63 -8.276 15.291 -37.065 1.00 60.20 H new ATOM 1002 N ALA A 64 -2.381 11.972 -42.034 1.00 51.34 N ATOM 1003 CA ALA A 64 -1.708 10.830 -42.641 1.00 0.43 C ATOM 1004 C ALA A 64 -0.276 10.703 -42.131 1.00 53.15 C ATOM 1005 O ALA A 64 0.281 9.607 -42.085 1.00 14.22 O ATOM 1006 CB ALA A 64 -1.722 10.954 -44.157 1.00 62.22 C ATOM 0 H ALA A 64 -2.517 12.764 -42.662 1.00 51.34 H new ATOM 0 HA ALA A 64 -2.249 9.927 -42.357 1.00 0.43 H new ATOM 0 HB1 ALA A 64 -1.216 10.095 -44.597 1.00 62.22 H new ATOM 0 HB2 ALA A 64 -2.753 10.988 -44.510 1.00 62.22 H new ATOM 0 HB3 ALA A 64 -1.207 11.868 -44.452 1.00 62.22 H new ATOM 1012 N ASN A 65 0.314 11.832 -41.751 1.00 62.53 N ATOM 1013 CA ASN A 65 1.682 11.846 -41.246 1.00 64.25 C ATOM 1014 C ASN A 65 1.862 10.817 -40.134 1.00 45.31 C ATOM 1015 O ASN A 65 1.246 10.919 -39.073 1.00 55.23 O ATOM 1016 CB ASN A 65 2.043 13.240 -40.730 1.00 41.24 C ATOM 1017 CG ASN A 65 2.990 13.192 -39.547 1.00 33.55 C ATOM 1018 OD1 ASN A 65 4.203 13.069 -39.713 1.00 4.23 O ATOM 1019 ND2 ASN A 65 2.437 13.287 -38.343 1.00 11.11 N ATOM 0 H ASN A 65 -0.133 12.748 -41.783 1.00 62.53 H new ATOM 0 HA ASN A 65 2.349 11.586 -42.068 1.00 64.25 H new ATOM 0 HB2 ASN A 65 2.501 13.815 -41.535 1.00 41.24 H new ATOM 0 HB3 ASN A 65 1.132 13.765 -40.442 1.00 41.24 H new ATOM 0 HD21 ASN A 65 3.023 13.259 -37.509 1.00 11.11 H new ATOM 0 HD22 ASN A 65 1.426 13.388 -38.253 1.00 11.11 H new ATOM 1026 N CYS A 66 2.712 9.827 -40.384 1.00 24.24 N ATOM 1027 CA CYS A 66 2.975 8.779 -39.405 1.00 2.04 C ATOM 1028 C CYS A 66 4.286 8.062 -39.714 1.00 21.21 C ATOM 1029 O CYS A 66 4.733 8.000 -40.859 1.00 65.23 O ATOM 1030 CB CYS A 66 1.823 7.772 -39.382 1.00 43.34 C ATOM 1031 SG CYS A 66 0.628 8.040 -38.034 1.00 53.13 S ATOM 0 H CYS A 66 3.231 9.728 -41.257 1.00 24.24 H new ATOM 0 HA CYS A 66 3.060 9.246 -38.424 1.00 2.04 H new ATOM 0 HB2 CYS A 66 1.296 7.818 -40.335 1.00 43.34 H new ATOM 0 HB3 CYS A 66 2.235 6.767 -39.293 1.00 43.34 H new ATOM 1036 N PRO A 67 4.917 7.506 -38.669 1.00 4.41 N ATOM 1037 CA PRO A 67 6.185 6.783 -38.803 1.00 62.23 C ATOM 1038 C PRO A 67 6.020 5.455 -39.535 1.00 21.03 C ATOM 1039 O PRO A 67 4.908 4.992 -39.788 1.00 14.22 O ATOM 1040 CB PRO A 67 6.613 6.545 -37.353 1.00 63.11 C ATOM 1041 CG PRO A 67 5.343 6.562 -36.575 1.00 52.14 C ATOM 1042 CD PRO A 67 4.442 7.541 -37.276 1.00 11.43 C ATOM 0 HA PRO A 67 6.913 7.343 -39.390 1.00 62.23 H new ATOM 0 HB2 PRO A 67 7.131 5.592 -37.245 1.00 63.11 H new ATOM 0 HB3 PRO A 67 7.298 7.321 -37.010 1.00 63.11 H new ATOM 0 HG2 PRO A 67 4.892 5.570 -36.543 1.00 52.14 H new ATOM 0 HG3 PRO A 67 5.521 6.865 -35.543 1.00 52.14 H new ATOM 0 HD2 PRO A 67 3.395 7.248 -37.201 1.00 11.43 H new ATOM 0 HD3 PRO A 67 4.525 8.540 -36.848 1.00 11.43 H new ATOM 1050 N PRO A 68 7.152 4.826 -39.883 1.00 22.51 N ATOM 1051 CA PRO A 68 7.159 3.541 -40.589 1.00 54.14 C ATOM 1052 C PRO A 68 6.675 2.393 -39.710 1.00 3.24 C ATOM 1053 O PRO A 68 6.638 2.510 -38.484 1.00 14.10 O ATOM 1054 CB PRO A 68 8.631 3.347 -40.960 1.00 1.50 C ATOM 1055 CG PRO A 68 9.384 4.139 -39.947 1.00 51.43 C ATOM 1056 CD PRO A 68 8.513 5.319 -39.613 1.00 61.03 C ATOM 0 HA PRO A 68 6.486 3.544 -41.447 1.00 54.14 H new ATOM 0 HB2 PRO A 68 8.912 2.294 -40.928 1.00 1.50 H new ATOM 0 HB3 PRO A 68 8.835 3.701 -41.971 1.00 1.50 H new ATOM 0 HG2 PRO A 68 9.589 3.542 -39.059 1.00 51.43 H new ATOM 0 HG3 PRO A 68 10.346 4.464 -40.342 1.00 51.43 H new ATOM 0 HD2 PRO A 68 8.631 5.624 -38.573 1.00 61.03 H new ATOM 0 HD3 PRO A 68 8.756 6.185 -40.229 1.00 61.03 H new ATOM 1064 N LEU A 69 6.307 1.284 -40.342 1.00 10.34 N ATOM 1065 CA LEU A 69 5.826 0.114 -39.616 1.00 22.23 C ATOM 1066 C LEU A 69 6.942 -0.910 -39.434 1.00 72.52 C ATOM 1067 O LEU A 69 6.693 -2.115 -39.412 1.00 60.33 O ATOM 1068 CB LEU A 69 4.650 -0.523 -40.357 1.00 55.13 C ATOM 1069 CG LEU A 69 4.850 -0.763 -41.854 1.00 63.10 C ATOM 1070 CD1 LEU A 69 4.176 -2.057 -42.282 1.00 62.41 C ATOM 1071 CD2 LEU A 69 4.314 0.411 -42.659 1.00 51.43 C ATOM 0 H LEU A 69 6.333 1.170 -41.355 1.00 10.34 H new ATOM 0 HA LEU A 69 5.492 0.440 -38.631 1.00 22.23 H new ATOM 0 HB2 LEU A 69 4.423 -1.478 -39.884 1.00 55.13 H new ATOM 0 HB3 LEU A 69 3.775 0.114 -40.225 1.00 55.13 H new ATOM 0 HG LEU A 69 5.919 -0.853 -42.048 1.00 63.10 H new ATOM 0 HD11 LEU A 69 4.329 -2.211 -43.350 1.00 62.41 H new ATOM 0 HD12 LEU A 69 4.607 -2.892 -41.730 1.00 62.41 H new ATOM 0 HD13 LEU A 69 3.108 -1.997 -42.073 1.00 62.41 H new ATOM 0 HD21 LEU A 69 4.465 0.223 -43.722 1.00 51.43 H new ATOM 0 HD22 LEU A 69 3.249 0.533 -42.460 1.00 51.43 H new ATOM 0 HD23 LEU A 69 4.843 1.320 -42.373 1.00 51.43 H new ATOM 1083 N GLU A 70 8.171 -0.422 -39.302 1.00 42.13 N ATOM 1084 CA GLU A 70 9.324 -1.296 -39.121 1.00 43.21 C ATOM 1085 C GLU A 70 9.883 -1.173 -37.706 1.00 50.13 C ATOM 1086 O GLU A 70 10.254 -2.169 -37.086 1.00 74.24 O ATOM 1087 CB GLU A 70 10.413 -0.959 -40.142 1.00 40.11 C ATOM 1088 CG GLU A 70 10.811 -2.135 -41.018 1.00 54.23 C ATOM 1089 CD GLU A 70 10.679 -1.830 -42.498 1.00 61.50 C ATOM 1090 OE1 GLU A 70 9.547 -1.897 -43.020 1.00 32.52 O ATOM 1091 OE2 GLU A 70 11.710 -1.525 -43.134 1.00 13.10 O ATOM 0 H GLU A 70 8.394 0.573 -39.317 1.00 42.13 H new ATOM 0 HA GLU A 70 8.996 -2.324 -39.276 1.00 43.21 H new ATOM 0 HB2 GLU A 70 10.064 -0.145 -40.778 1.00 40.11 H new ATOM 0 HB3 GLU A 70 11.294 -0.596 -39.614 1.00 40.11 H new ATOM 0 HG2 GLU A 70 11.842 -2.414 -40.799 1.00 54.23 H new ATOM 0 HG3 GLU A 70 10.188 -2.995 -40.771 1.00 54.23 H new TER 1098 GLU A 70