USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 502 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 19 LYS NZ :NH3+ -105:sc= -0.0329 (180deg=-0.16) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -2.87 K(o=-2.9,f=-8.1!) USER MOD Single : A 1 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 1 GLN N :NH3+ -151:sc= -0.37 (180deg=-1.32) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0219) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 12 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.41) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00328 K(o=-0.0033,f=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ -124:sc=-0.00493 (180deg=-0.798) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc=-0.00474 (180deg=-0.00481) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00165) USER MOD Single : A 31 GLN : amide:sc=-0.00981 X(o=-0.0098,f=0) USER MOD Single : A 38 SER OG : rot -74:sc= 0.905 USER MOD Single : A 43 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.034) USER MOD Single : A 44 SER OG : rot -160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.438 K(o=-0.44,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 134:sc= 0.605 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -15.789 -11.867 -5.786 1.00 0.00 N ATOM 2 CA GLN A 1 -14.525 -11.481 -5.131 1.00 0.00 C ATOM 3 C GLN A 1 -14.782 -10.328 -4.143 1.00 0.00 C ATOM 4 O GLN A 1 -14.719 -9.168 -4.550 1.00 0.00 O ATOM 5 CB GLN A 1 -13.452 -11.082 -6.169 1.00 0.00 C ATOM 6 CG GLN A 1 -12.905 -12.257 -7.000 1.00 0.00 C ATOM 7 CD GLN A 1 -13.906 -12.803 -8.023 1.00 0.00 C ATOM 8 OE1 GLN A 1 -14.399 -12.060 -8.870 1.00 0.00 O ATOM 9 NE2 GLN A 1 -14.212 -14.102 -7.954 1.00 0.00 N ATOM 0 H1 GLN A 1 -15.754 -12.874 -6.042 1.00 0.00 H new ATOM 0 H2 GLN A 1 -16.582 -11.703 -5.134 1.00 0.00 H new ATOM 0 H3 GLN A 1 -15.923 -11.296 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 1 -14.144 -12.343 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -13.876 -10.340 -6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -12.622 -10.602 -5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.004 -11.934 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -12.611 -13.062 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.784 -14.689 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.873 -14.506 -8.617 1.00 0.00 H new ATOM 20 N PRO A 2 -15.083 -10.623 -2.859 1.00 0.00 N ATOM 21 CA PRO A 2 -15.347 -9.634 -1.815 1.00 0.00 C ATOM 22 C PRO A 2 -14.196 -8.623 -1.668 1.00 0.00 C ATOM 23 O PRO A 2 -13.160 -8.942 -1.085 1.00 0.00 O ATOM 24 CB PRO A 2 -15.586 -10.439 -0.527 1.00 0.00 C ATOM 25 CG PRO A 2 -16.136 -11.762 -1.055 1.00 0.00 C ATOM 26 CD PRO A 2 -15.329 -11.962 -2.338 1.00 0.00 C ATOM 0 HA PRO A 2 -16.216 -9.024 -2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.665 -10.580 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.294 -9.942 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.983 -12.577 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.207 -11.707 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.393 -12.482 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.880 -12.567 -3.057 1.00 0.00 H new ATOM 34 N LEU A 3 -14.390 -7.411 -2.213 1.00 0.00 N ATOM 35 CA LEU A 3 -13.444 -6.298 -2.203 1.00 0.00 C ATOM 36 C LEU A 3 -12.114 -6.686 -2.876 1.00 0.00 C ATOM 37 O LEU A 3 -12.011 -6.655 -4.102 1.00 0.00 O ATOM 38 CB LEU A 3 -13.301 -5.711 -0.773 1.00 0.00 C ATOM 39 CG LEU A 3 -14.252 -4.543 -0.449 1.00 0.00 C ATOM 40 CD1 LEU A 3 -15.726 -4.902 -0.651 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.023 -4.057 0.991 1.00 0.00 C ATOM 0 H LEU A 3 -15.257 -7.175 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.838 -5.485 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.471 -6.509 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.274 -5.372 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.019 -3.743 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.347 -4.040 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.892 -5.187 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.990 -5.735 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.701 -3.231 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.213 -4.875 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.993 -3.719 1.101 1.00 0.00 H new ATOM 53 N ARG A 4 -11.114 -7.054 -2.069 1.00 0.00 N ATOM 54 CA ARG A 4 -9.752 -7.399 -2.480 1.00 0.00 C ATOM 55 C ARG A 4 -8.916 -8.107 -1.401 1.00 0.00 C ATOM 56 O ARG A 4 -9.107 -7.878 -0.208 1.00 0.00 O ATOM 57 CB ARG A 4 -9.033 -6.084 -2.825 1.00 0.00 C ATOM 58 CG ARG A 4 -8.618 -5.236 -1.599 1.00 0.00 C ATOM 59 CD ARG A 4 -9.708 -4.902 -0.551 1.00 0.00 C ATOM 60 NE ARG A 4 -9.196 -4.338 0.714 1.00 0.00 N ATOM 61 CZ ARG A 4 -9.713 -4.546 1.943 1.00 0.00 C ATOM 62 NH1 ARG A 4 -10.853 -5.230 2.133 1.00 0.00 N ATOM 63 NH2 ARG A 4 -9.073 -4.060 3.013 1.00 0.00 N ATOM 0 H ARG A 4 -11.241 -7.122 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.841 -8.093 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.142 -6.315 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.685 -5.485 -3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.810 -5.759 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.206 -4.296 -1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.410 -4.194 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.268 -5.810 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.375 -3.735 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.358 -5.612 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.214 -5.368 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.204 -3.539 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.454 -4.211 3.947 1.00 0.00 H new ATOM 77 N LYS A 5 -8.023 -9.015 -1.820 1.00 0.00 N ATOM 78 CA LYS A 5 -7.092 -9.728 -0.942 1.00 0.00 C ATOM 79 C LYS A 5 -5.725 -9.063 -0.784 1.00 0.00 C ATOM 80 O LYS A 5 -5.103 -9.162 0.275 1.00 0.00 O ATOM 81 CB LYS A 5 -6.979 -11.203 -1.361 1.00 0.00 C ATOM 82 CG LYS A 5 -8.335 -11.923 -1.279 1.00 0.00 C ATOM 83 CD LYS A 5 -8.193 -13.412 -1.631 1.00 0.00 C ATOM 84 CE LYS A 5 -9.546 -14.139 -1.630 1.00 0.00 C ATOM 85 NZ LYS A 5 -10.163 -14.174 -0.292 1.00 0.00 N ATOM 0 H LYS A 5 -7.928 -9.278 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.524 -9.679 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.596 -11.264 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.259 -11.710 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.744 -11.821 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.043 -11.451 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.731 -13.509 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.524 -13.891 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.222 -13.643 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.408 -15.158 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.040 -14.732 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.503 -14.609 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.383 -13.205 0.015 1.00 0.00 H new ATOM 99 N LEU A 6 -5.251 -8.403 -1.841 1.00 0.00 N ATOM 100 CA LEU A 6 -3.950 -7.739 -1.859 1.00 0.00 C ATOM 101 C LEU A 6 -3.932 -6.424 -1.073 1.00 0.00 C ATOM 102 O LEU A 6 -2.862 -5.828 -0.955 1.00 0.00 O ATOM 103 CB LEU A 6 -3.498 -7.514 -3.315 1.00 0.00 C ATOM 104 CG LEU A 6 -1.969 -7.373 -3.472 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.233 -8.608 -2.926 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.598 -7.159 -4.943 1.00 0.00 C ATOM 0 H LEU A 6 -5.766 -8.314 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.246 -8.400 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.842 -8.348 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.979 -6.615 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.658 -6.504 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.158 -8.476 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.462 -8.730 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.556 -9.495 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.516 -7.062 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.937 -8.012 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.077 -6.251 -5.311 1.00 0.00 H new ATOM 118 N CYS A 7 -5.076 -5.968 -0.534 1.00 0.00 N ATOM 119 CA CYS A 7 -5.108 -4.714 0.242 1.00 0.00 C ATOM 120 C CYS A 7 -5.598 -5.006 1.670 1.00 0.00 C ATOM 121 O CYS A 7 -6.314 -4.216 2.281 1.00 0.00 O ATOM 122 CB CYS A 7 -5.897 -3.636 -0.520 1.00 0.00 C ATOM 123 SG CYS A 7 -5.688 -1.921 0.014 1.00 0.00 S ATOM 0 H CYS A 7 -5.977 -6.439 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.108 -4.295 0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.621 -3.697 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.956 -3.883 -0.453 1.00 0.00 H new ATOM 128 N ILE A 8 -5.154 -6.163 2.182 1.00 0.00 N ATOM 129 CA ILE A 8 -5.377 -6.755 3.496 1.00 0.00 C ATOM 130 C ILE A 8 -3.995 -7.170 4.039 1.00 0.00 C ATOM 131 O ILE A 8 -3.769 -7.107 5.248 1.00 0.00 O ATOM 132 CB ILE A 8 -6.372 -7.939 3.407 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.750 -7.425 2.930 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.510 -8.635 4.775 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.836 -8.506 2.850 1.00 0.00 C ATOM 0 H ILE A 8 -4.563 -6.771 1.615 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.838 -6.045 4.182 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.991 -8.666 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.086 -6.639 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.634 -6.970 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.213 -9.464 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.538 -9.014 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.877 -7.920 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.769 -8.059 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.526 -9.282 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.985 -8.946 3.836 1.00 0.00 H new ATOM 147 N LEU A 9 -3.071 -7.581 3.147 1.00 0.00 N ATOM 148 CA LEU A 9 -1.709 -7.986 3.442 1.00 0.00 C ATOM 149 C LEU A 9 -0.919 -6.692 3.652 1.00 0.00 C ATOM 150 O LEU A 9 -0.334 -6.165 2.705 1.00 0.00 O ATOM 151 CB LEU A 9 -1.144 -8.798 2.259 1.00 0.00 C ATOM 152 CG LEU A 9 -1.893 -10.112 1.968 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.466 -10.626 0.585 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.617 -11.177 3.040 1.00 0.00 C ATOM 0 H LEU A 9 -3.281 -7.637 2.150 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.650 -8.621 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.167 -8.176 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.098 -9.028 2.460 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.965 -9.914 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.989 -11.557 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.715 -9.883 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.391 -10.804 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.164 -12.088 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.549 -11.393 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.942 -10.807 4.012 1.00 0.00 H new ATOM 166 N HIS A 10 -0.940 -6.179 4.894 1.00 0.00 N ATOM 167 CA HIS A 10 -0.274 -4.950 5.318 1.00 0.00 C ATOM 168 C HIS A 10 1.120 -4.838 4.685 1.00 0.00 C ATOM 169 O HIS A 10 1.960 -5.722 4.856 1.00 0.00 O ATOM 170 CB HIS A 10 -0.182 -4.893 6.851 1.00 0.00 C ATOM 171 CG HIS A 10 0.440 -3.607 7.347 1.00 0.00 C ATOM 172 ND1 HIS A 10 1.666 -3.589 8.014 1.00 0.00 N ATOM 173 CD2 HIS A 10 -0.017 -2.320 7.228 1.00 0.00 C ATOM 174 CE1 HIS A 10 1.897 -2.297 8.269 1.00 0.00 C ATOM 175 NE2 HIS A 10 0.919 -1.496 7.816 1.00 0.00 N ATOM 0 H HIS A 10 -1.444 -6.633 5.656 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.868 -4.102 4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.180 -4.997 7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.406 -5.738 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.939 -2.009 6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.775 -1.936 8.784 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.877 -0.480 7.892 1.00 0.00 H new ATOM 183 N ARG A 11 1.331 -3.746 3.941 1.00 0.00 N ATOM 184 CA ARG A 11 2.532 -3.392 3.220 1.00 0.00 C ATOM 185 C ARG A 11 3.816 -3.432 4.068 1.00 0.00 C ATOM 186 O ARG A 11 3.790 -3.545 5.294 1.00 0.00 O ATOM 187 CB ARG A 11 2.282 -2.007 2.616 1.00 0.00 C ATOM 188 CG ARG A 11 1.850 -0.878 3.568 1.00 0.00 C ATOM 189 CD ARG A 11 2.743 -0.647 4.790 1.00 0.00 C ATOM 190 NE ARG A 11 2.446 0.640 5.434 1.00 0.00 N ATOM 191 CZ ARG A 11 2.994 1.083 6.580 1.00 0.00 C ATOM 192 NH1 ARG A 11 3.866 0.332 7.270 1.00 0.00 N ATOM 193 NH2 ARG A 11 2.667 2.299 7.040 1.00 0.00 N ATOM 0 H ARG A 11 0.603 -3.041 3.827 1.00 0.00 H new ATOM 0 HA ARG A 11 2.721 -4.138 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.196 -1.690 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.515 -2.110 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.801 0.050 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.840 -1.092 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.599 -1.456 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.790 -0.672 4.488 1.00 0.00 H new ATOM 0 HE ARG A 11 1.768 1.248 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.125 -0.593 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.270 0.687 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.008 2.880 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.077 2.643 7.908 1.00 0.00 H new ATOM 207 N ASN A 12 4.953 -3.357 3.368 1.00 0.00 N ATOM 208 CA ASN A 12 6.299 -3.351 3.925 1.00 0.00 C ATOM 209 C ASN A 12 7.234 -2.762 2.854 1.00 0.00 C ATOM 210 O ASN A 12 7.074 -3.086 1.675 1.00 0.00 O ATOM 211 CB ASN A 12 6.718 -4.780 4.323 1.00 0.00 C ATOM 212 CG ASN A 12 8.115 -4.835 4.949 1.00 0.00 C ATOM 213 OD1 ASN A 12 9.104 -5.045 4.249 1.00 0.00 O ATOM 214 ND2 ASN A 12 8.203 -4.651 6.269 1.00 0.00 N ATOM 0 H ASN A 12 4.954 -3.296 2.350 1.00 0.00 H new ATOM 0 HA ASN A 12 6.348 -2.746 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.992 -5.183 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.694 -5.420 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.113 -4.682 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.360 -4.479 6.817 1.00 0.00 H new ATOM 221 N PRO A 13 8.204 -1.902 3.221 1.00 0.00 N ATOM 222 CA PRO A 13 9.135 -1.301 2.275 1.00 0.00 C ATOM 223 C PRO A 13 10.018 -2.340 1.585 1.00 0.00 C ATOM 224 O PRO A 13 10.046 -2.443 0.359 1.00 0.00 O ATOM 225 CB PRO A 13 9.941 -0.260 3.070 1.00 0.00 C ATOM 226 CG PRO A 13 9.780 -0.685 4.529 1.00 0.00 C ATOM 227 CD PRO A 13 8.396 -1.332 4.545 1.00 0.00 C ATOM 0 HA PRO A 13 8.602 -0.823 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.989 -0.257 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.559 0.748 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.557 -1.386 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.836 0.167 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.334 -2.102 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.624 -0.596 4.768 1.00 0.00 H new ATOM 235 N GLY A 14 10.719 -3.100 2.419 1.00 0.00 N ATOM 236 CA GLY A 14 11.648 -4.163 2.070 1.00 0.00 C ATOM 237 C GLY A 14 13.031 -3.897 2.670 1.00 0.00 C ATOM 238 O GLY A 14 13.439 -2.745 2.830 1.00 0.00 O ATOM 0 H GLY A 14 10.646 -2.979 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.267 -5.118 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.726 -4.242 0.986 1.00 0.00 H new ATOM 242 N ARG A 15 13.762 -4.979 2.974 1.00 0.00 N ATOM 243 CA ARG A 15 15.111 -4.963 3.552 1.00 0.00 C ATOM 244 C ARG A 15 16.202 -4.707 2.488 1.00 0.00 C ATOM 245 O ARG A 15 17.336 -5.160 2.642 1.00 0.00 O ATOM 246 CB ARG A 15 15.332 -6.291 4.317 1.00 0.00 C ATOM 247 CG ARG A 15 15.641 -7.550 3.478 1.00 0.00 C ATOM 248 CD ARG A 15 14.653 -7.836 2.336 1.00 0.00 C ATOM 249 NE ARG A 15 15.013 -9.060 1.604 1.00 0.00 N ATOM 250 CZ ARG A 15 15.966 -9.162 0.657 1.00 0.00 C ATOM 251 NH1 ARG A 15 16.689 -8.097 0.271 1.00 0.00 N ATOM 252 NH2 ARG A 15 16.199 -10.353 0.088 1.00 0.00 N ATOM 0 H ARG A 15 13.415 -5.925 2.817 1.00 0.00 H new ATOM 0 HA ARG A 15 15.194 -4.130 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.153 -6.143 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.439 -6.491 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 15 16.640 -7.449 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.662 -8.414 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.646 -7.936 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.637 -6.991 1.648 1.00 0.00 H new ATOM 0 HE ARG A 15 14.495 -9.908 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.522 -7.186 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.405 -8.200 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.658 -11.169 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.918 -10.443 -0.630 1.00 0.00 H new ATOM 266 N CYS A 16 15.877 -3.949 1.429 1.00 0.00 N ATOM 267 CA CYS A 16 16.757 -3.615 0.315 1.00 0.00 C ATOM 268 C CYS A 16 17.638 -2.402 0.682 1.00 0.00 C ATOM 269 O CYS A 16 18.315 -2.441 1.710 1.00 0.00 O ATOM 270 CB CYS A 16 15.865 -3.428 -0.926 1.00 0.00 C ATOM 271 SG CYS A 16 16.701 -3.414 -2.535 1.00 0.00 S ATOM 0 H CYS A 16 14.949 -3.537 1.328 1.00 0.00 H new ATOM 0 HA CYS A 16 17.471 -4.406 0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.123 -4.226 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.322 -2.489 -0.816 1.00 0.00 H new ATOM 276 N TYR A 17 17.651 -1.339 -0.140 1.00 0.00 N ATOM 277 CA TYR A 17 18.442 -0.124 0.064 1.00 0.00 C ATOM 278 C TYR A 17 17.923 0.982 -0.875 1.00 0.00 C ATOM 279 O TYR A 17 18.678 1.550 -1.663 1.00 0.00 O ATOM 280 CB TYR A 17 19.950 -0.425 -0.138 1.00 0.00 C ATOM 281 CG TYR A 17 20.375 -0.915 -1.522 1.00 0.00 C ATOM 282 CD1 TYR A 17 20.074 -2.232 -1.941 1.00 0.00 C ATOM 283 CD2 TYR A 17 21.080 -0.055 -2.398 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.401 -2.657 -3.246 1.00 0.00 C ATOM 285 CE2 TYR A 17 21.416 -0.482 -3.700 1.00 0.00 C ATOM 286 CZ TYR A 17 21.066 -1.779 -4.130 1.00 0.00 C ATOM 287 OH TYR A 17 21.374 -2.182 -5.398 1.00 0.00 O ATOM 0 H TYR A 17 17.091 -1.306 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 17 18.331 0.233 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.511 0.482 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.248 -1.175 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.591 -2.916 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.362 0.934 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.143 -3.655 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.941 0.185 -4.368 1.00 0.00 H new ATOM 0 HH TYR A 17 21.829 -1.454 -5.871 1.00 0.00 H new ATOM 297 N GLN A 18 16.622 1.300 -0.779 1.00 0.00 N ATOM 298 CA GLN A 18 15.951 2.310 -1.599 1.00 0.00 C ATOM 299 C GLN A 18 14.752 2.903 -0.836 1.00 0.00 C ATOM 300 O GLN A 18 14.486 2.537 0.308 1.00 0.00 O ATOM 301 CB GLN A 18 15.574 1.644 -2.942 1.00 0.00 C ATOM 302 CG GLN A 18 15.070 2.616 -4.026 1.00 0.00 C ATOM 303 CD GLN A 18 15.228 2.067 -5.449 1.00 0.00 C ATOM 304 OE1 GLN A 18 15.603 2.802 -6.360 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.948 0.777 -5.653 1.00 0.00 N ATOM 0 H GLN A 18 15.996 0.849 -0.112 1.00 0.00 H new ATOM 0 HA GLN A 18 16.601 3.158 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.446 1.114 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.802 0.897 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.019 2.840 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.615 3.556 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.639 0.193 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.043 0.376 -6.586 1.00 0.00 H new ATOM 314 N LYS A 19 14.044 3.858 -1.452 1.00 0.00 N ATOM 315 CA LYS A 19 12.907 4.569 -0.992 1.00 0.00 C ATOM 316 C LYS A 19 12.244 5.105 -2.275 1.00 0.00 C ATOM 317 O LYS A 19 12.875 5.628 -3.195 1.00 0.00 O ATOM 318 CB LYS A 19 13.340 5.739 -0.132 1.00 0.00 C ATOM 319 CG LYS A 19 12.227 6.287 0.756 1.00 0.00 C ATOM 320 CD LYS A 19 12.592 7.750 1.005 1.00 0.00 C ATOM 321 CE LYS A 19 11.753 8.395 2.116 1.00 0.00 C ATOM 322 NZ LYS A 19 10.330 8.498 1.749 1.00 0.00 N ATOM 0 H LYS A 19 14.308 4.164 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 19 12.242 3.944 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.175 5.429 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.706 6.538 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.256 6.202 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.162 5.733 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.647 7.816 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.459 8.314 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.849 7.808 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.143 9.389 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.104 9.485 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.139 7.890 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.742 8.192 2.550 1.00 0.00 H new ATOM 336 N ILE A 20 10.948 4.941 -2.256 1.00 0.00 N ATOM 337 CA ILE A 20 9.929 5.312 -3.232 1.00 0.00 C ATOM 338 C ILE A 20 8.612 5.525 -2.469 1.00 0.00 C ATOM 339 O ILE A 20 7.837 4.578 -2.346 1.00 0.00 O ATOM 340 CB ILE A 20 9.695 4.240 -4.340 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.925 3.579 -4.995 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.789 4.900 -5.399 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.677 4.441 -6.008 1.00 0.00 C ATOM 0 H ILE A 20 10.515 4.484 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 20 10.275 6.212 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 20 9.245 3.382 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.620 3.286 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.602 2.664 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.592 4.190 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.847 5.197 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.287 5.780 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.522 3.880 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.006 4.714 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.040 5.345 -5.518 1.00 0.00 H new ATOM 355 N PRO A 21 8.295 6.723 -1.950 1.00 0.00 N ATOM 356 CA PRO A 21 7.040 6.900 -1.243 1.00 0.00 C ATOM 357 C PRO A 21 5.834 6.779 -2.176 1.00 0.00 C ATOM 358 O PRO A 21 5.805 7.319 -3.282 1.00 0.00 O ATOM 359 CB PRO A 21 7.087 8.245 -0.549 1.00 0.00 C ATOM 360 CG PRO A 21 8.208 9.002 -1.274 1.00 0.00 C ATOM 361 CD PRO A 21 9.121 7.914 -1.856 1.00 0.00 C ATOM 0 HA PRO A 21 6.916 6.107 -0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.135 8.769 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.302 8.138 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.806 9.641 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.755 9.648 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.503 8.205 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.985 7.742 -1.214 1.00 0.00 H new ATOM 369 N ALA A 22 4.851 6.041 -1.664 1.00 0.00 N ATOM 370 CA ALA A 22 3.563 5.738 -2.304 1.00 0.00 C ATOM 371 C ALA A 22 2.443 5.783 -1.249 1.00 0.00 C ATOM 372 O ALA A 22 2.540 6.591 -0.327 1.00 0.00 O ATOM 373 CB ALA A 22 3.682 4.387 -3.028 1.00 0.00 C ATOM 0 H ALA A 22 4.932 5.613 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 22 3.301 6.482 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.734 4.147 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.467 4.446 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.930 3.608 -2.307 1.00 0.00 H new ATOM 379 N PHE A 23 1.371 4.974 -1.384 1.00 0.00 N ATOM 380 CA PHE A 23 0.256 4.909 -0.428 1.00 0.00 C ATOM 381 C PHE A 23 -0.158 3.450 -0.136 1.00 0.00 C ATOM 382 O PHE A 23 0.120 2.529 -0.902 1.00 0.00 O ATOM 383 CB PHE A 23 -1.006 5.619 -0.953 1.00 0.00 C ATOM 384 CG PHE A 23 -0.893 7.083 -1.323 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.227 7.465 -2.504 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.476 8.071 -0.498 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.007 8.831 -2.771 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.236 9.436 -0.756 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.484 9.816 -1.888 1.00 0.00 C ATOM 0 H PHE A 23 1.258 4.339 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 23 0.625 5.402 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.353 5.077 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.783 5.525 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.104 6.713 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.105 7.780 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.562 9.122 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.627 10.190 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.284 10.860 -2.078 1.00 0.00 H new ATOM 399 N TYR A 24 -0.879 3.284 0.979 1.00 0.00 N ATOM 400 CA TYR A 24 -1.440 2.051 1.528 1.00 0.00 C ATOM 401 C TYR A 24 -2.760 2.374 2.241 1.00 0.00 C ATOM 402 O TYR A 24 -2.896 3.446 2.831 1.00 0.00 O ATOM 403 CB TYR A 24 -0.450 1.377 2.496 1.00 0.00 C ATOM 404 CG TYR A 24 -0.542 1.782 3.968 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.271 3.112 4.363 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.932 0.837 4.948 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.271 3.464 5.727 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.964 1.197 6.311 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.610 2.504 6.705 1.00 0.00 C ATOM 410 OH TYR A 24 -0.604 2.840 8.028 1.00 0.00 O ATOM 0 H TYR A 24 -1.103 4.084 1.571 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.629 1.352 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.592 0.298 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.562 1.587 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.063 3.862 3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.206 -0.164 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.011 4.469 6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.260 0.471 7.054 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.863 2.062 8.564 1.00 0.00 H new ATOM 420 N TYR A 25 -3.700 1.422 2.256 1.00 0.00 N ATOM 421 CA TYR A 25 -5.012 1.621 2.877 1.00 0.00 C ATOM 422 C TYR A 25 -4.986 1.467 4.404 1.00 0.00 C ATOM 423 O TYR A 25 -4.657 0.376 4.872 1.00 0.00 O ATOM 424 CB TYR A 25 -5.992 0.592 2.268 1.00 0.00 C ATOM 425 CG TYR A 25 -7.403 0.506 2.849 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.989 1.611 3.507 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.145 -0.694 2.731 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.236 1.476 4.146 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.453 -0.780 3.258 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.976 0.286 4.017 1.00 0.00 C ATOM 431 OH TYR A 25 -11.202 0.178 4.609 1.00 0.00 O ATOM 0 H TYR A 25 -3.573 0.499 1.841 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.328 2.645 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.083 0.809 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.536 -0.394 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.478 2.562 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.709 -1.549 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.627 2.290 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.051 -1.661 3.079 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.579 -0.707 4.421 1.00 0.00 H new ATOM 441 N ASN A 26 -5.347 2.515 5.188 1.00 0.00 N ATOM 442 CA ASN A 26 -5.435 2.344 6.635 1.00 0.00 C ATOM 443 C ASN A 26 -6.762 1.647 6.937 1.00 0.00 C ATOM 444 O ASN A 26 -7.826 2.265 6.852 1.00 0.00 O ATOM 445 CB ASN A 26 -5.392 3.678 7.395 1.00 0.00 C ATOM 446 CG ASN A 26 -4.383 4.684 6.884 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.761 5.709 6.322 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.103 4.388 7.119 1.00 0.00 N ATOM 0 H ASN A 26 -5.572 3.449 4.846 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.576 1.760 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.383 4.131 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.176 3.473 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.368 5.032 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.859 3.518 7.592 1.00 0.00 H new ATOM 455 N GLN A 27 -6.699 0.356 7.291 1.00 0.00 N ATOM 456 CA GLN A 27 -7.864 -0.455 7.625 1.00 0.00 C ATOM 457 C GLN A 27 -8.270 -0.219 9.093 1.00 0.00 C ATOM 458 O GLN A 27 -8.548 -1.157 9.840 1.00 0.00 O ATOM 459 CB GLN A 27 -7.531 -1.939 7.367 1.00 0.00 C ATOM 460 CG GLN A 27 -6.981 -2.201 5.956 1.00 0.00 C ATOM 461 CD GLN A 27 -6.612 -3.671 5.755 1.00 0.00 C ATOM 462 OE1 GLN A 27 -5.433 -4.006 5.650 1.00 0.00 O ATOM 463 NE2 GLN A 27 -7.614 -4.554 5.712 1.00 0.00 N ATOM 0 H GLN A 27 -5.819 -0.157 7.352 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.710 -0.171 6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.800 -2.273 8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.430 -2.537 7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.725 -1.908 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.102 -1.579 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.579 -4.235 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.414 -5.547 5.588 1.00 0.00 H new ATOM 472 N LYS A 28 -8.290 1.059 9.486 1.00 0.00 N ATOM 473 CA LYS A 28 -8.643 1.605 10.795 1.00 0.00 C ATOM 474 C LYS A 28 -9.596 2.776 10.547 1.00 0.00 C ATOM 475 O LYS A 28 -10.593 2.972 11.239 1.00 0.00 O ATOM 476 CB LYS A 28 -7.375 2.045 11.549 1.00 0.00 C ATOM 477 CG LYS A 28 -6.430 0.864 11.823 1.00 0.00 C ATOM 478 CD LYS A 28 -5.266 1.199 12.773 1.00 0.00 C ATOM 479 CE LYS A 28 -4.269 2.235 12.223 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.703 3.626 12.452 1.00 0.00 N ATOM 0 H LYS A 28 -8.036 1.802 8.835 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.131 0.858 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.850 2.802 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.658 2.510 12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.006 0.042 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.022 0.511 10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.676 1.571 13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.726 0.281 13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.297 2.081 12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.137 2.072 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.741 4.132 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.647 3.628 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.028 4.101 13.084 1.00 0.00 H new ATOM 494 N LYS A 29 -9.236 3.527 9.509 1.00 0.00 N ATOM 495 CA LYS A 29 -9.866 4.674 8.923 1.00 0.00 C ATOM 496 C LYS A 29 -10.774 4.190 7.834 1.00 0.00 C ATOM 497 O LYS A 29 -11.765 3.516 8.123 1.00 0.00 O ATOM 498 CB LYS A 29 -8.734 5.618 8.508 1.00 0.00 C ATOM 499 CG LYS A 29 -9.170 6.972 7.927 1.00 0.00 C ATOM 500 CD LYS A 29 -7.957 7.906 7.876 1.00 0.00 C ATOM 501 CE LYS A 29 -8.326 9.314 7.394 1.00 0.00 C ATOM 502 NZ LYS A 29 -8.787 9.330 5.995 1.00 0.00 N ATOM 0 H LYS A 29 -8.379 3.301 9.004 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.513 5.246 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.104 5.803 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.115 5.109 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.584 6.837 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.957 7.410 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.509 7.970 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.203 7.483 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.108 9.720 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.459 9.968 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.007 10.307 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.039 8.952 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.640 8.742 5.904 1.00 0.00 H new ATOM 516 N LYS A 30 -10.407 4.513 6.600 1.00 0.00 N ATOM 517 CA LYS A 30 -11.239 4.266 5.456 1.00 0.00 C ATOM 518 C LYS A 30 -10.602 4.831 4.166 1.00 0.00 C ATOM 519 O LYS A 30 -11.346 5.105 3.223 1.00 0.00 O ATOM 520 CB LYS A 30 -12.599 4.941 5.747 1.00 0.00 C ATOM 521 CG LYS A 30 -12.440 6.404 6.133 1.00 0.00 C ATOM 522 CD LYS A 30 -13.758 7.155 6.379 1.00 0.00 C ATOM 523 CE LYS A 30 -14.648 6.537 7.471 1.00 0.00 C ATOM 524 NZ LYS A 30 -13.946 6.405 8.761 1.00 0.00 N ATOM 0 H LYS A 30 -9.516 4.956 6.376 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.362 3.196 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.236 4.866 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.104 4.407 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.831 6.463 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.889 6.915 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.529 8.185 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.321 7.191 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.536 7.155 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.990 5.555 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.592 6.000 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.123 5.780 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.627 7.342 9.080 1.00 0.00 H new ATOM 538 N GLN A 31 -9.262 5.006 4.081 1.00 0.00 N ATOM 539 CA GLN A 31 -8.648 5.602 2.889 1.00 0.00 C ATOM 540 C GLN A 31 -7.142 5.318 2.821 1.00 0.00 C ATOM 541 O GLN A 31 -6.521 4.907 3.808 1.00 0.00 O ATOM 542 CB GLN A 31 -8.928 7.125 2.917 1.00 0.00 C ATOM 543 CG GLN A 31 -8.506 7.885 1.648 1.00 0.00 C ATOM 544 CD GLN A 31 -9.028 9.324 1.639 1.00 0.00 C ATOM 545 OE1 GLN A 31 -8.260 10.270 1.803 1.00 0.00 O ATOM 546 NE2 GLN A 31 -10.338 9.497 1.442 1.00 0.00 N ATOM 0 H GLN A 31 -8.602 4.746 4.814 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.083 5.156 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.995 7.281 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.410 7.559 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.418 7.894 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.879 7.359 0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.945 8.688 1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.731 10.438 1.424 1.00 0.00 H new ATOM 555 N CYS A 32 -6.559 5.546 1.630 1.00 0.00 N ATOM 556 CA CYS A 32 -5.157 5.346 1.372 1.00 0.00 C ATOM 557 C CYS A 32 -4.367 6.541 1.866 1.00 0.00 C ATOM 558 O CYS A 32 -4.503 7.659 1.370 1.00 0.00 O ATOM 559 CB CYS A 32 -4.889 5.138 -0.118 1.00 0.00 C ATOM 560 SG CYS A 32 -3.748 3.824 -0.616 1.00 0.00 S ATOM 0 H CYS A 32 -7.076 5.881 0.817 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.843 4.449 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.846 4.947 -0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.509 6.077 -0.521 1.00 0.00 H new ATOM 565 N GLU A 33 -3.565 6.267 2.885 1.00 0.00 N ATOM 566 CA GLU A 33 -2.626 7.186 3.482 1.00 0.00 C ATOM 567 C GLU A 33 -1.315 6.844 2.803 1.00 0.00 C ATOM 568 O GLU A 33 -1.145 5.797 2.190 1.00 0.00 O ATOM 569 CB GLU A 33 -2.577 6.969 4.985 1.00 0.00 C ATOM 570 CG GLU A 33 -1.349 7.363 5.781 1.00 0.00 C ATOM 571 CD GLU A 33 -1.554 7.228 7.293 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.360 8.018 7.833 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.908 6.336 7.886 1.00 0.00 O ATOM 0 H GLU A 33 -3.557 5.351 3.334 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.884 8.237 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.424 7.504 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.748 5.907 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.508 6.740 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.084 8.394 5.545 1.00 0.00 H new ATOM 580 N GLY A 34 -0.357 7.733 2.950 1.00 0.00 N ATOM 581 CA GLY A 34 0.938 7.530 2.308 1.00 0.00 C ATOM 582 C GLY A 34 1.854 6.617 3.117 1.00 0.00 C ATOM 583 O GLY A 34 1.791 6.643 4.347 1.00 0.00 O ATOM 0 H GLY A 34 -0.439 8.590 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.786 7.101 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.425 8.495 2.166 1.00 0.00 H new ATOM 587 N PHE A 35 2.701 5.814 2.446 1.00 0.00 N ATOM 588 CA PHE A 35 3.603 4.923 3.172 1.00 0.00 C ATOM 589 C PHE A 35 4.951 4.943 2.427 1.00 0.00 C ATOM 590 O PHE A 35 4.994 5.127 1.204 1.00 0.00 O ATOM 591 CB PHE A 35 3.075 3.469 3.203 1.00 0.00 C ATOM 592 CG PHE A 35 3.350 2.513 2.052 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.843 2.713 0.757 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.170 1.389 2.307 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.988 1.706 -0.222 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.341 0.393 1.324 1.00 0.00 C ATOM 597 CZ PHE A 35 3.686 0.519 0.081 1.00 0.00 C ATOM 0 H PHE A 35 2.774 5.768 1.430 1.00 0.00 H new ATOM 0 HA PHE A 35 3.693 5.263 4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.471 3.004 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.993 3.524 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.342 3.637 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.668 1.293 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.563 1.845 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.970 -0.462 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.719 -0.289 -0.635 1.00 0.00 H new ATOM 607 N THR A 36 6.053 4.733 3.160 1.00 0.00 N ATOM 608 CA THR A 36 7.395 4.686 2.590 1.00 0.00 C ATOM 609 C THR A 36 7.580 3.280 2.006 1.00 0.00 C ATOM 610 O THR A 36 7.485 2.300 2.746 1.00 0.00 O ATOM 611 CB THR A 36 8.456 5.000 3.662 1.00 0.00 C ATOM 612 OG1 THR A 36 8.251 6.305 4.170 1.00 0.00 O ATOM 613 CG2 THR A 36 9.865 4.918 3.057 1.00 0.00 C ATOM 0 H THR A 36 6.032 4.591 4.170 1.00 0.00 H new ATOM 0 HA THR A 36 7.517 5.438 1.810 1.00 0.00 H new ATOM 0 HB THR A 36 8.364 4.269 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.927 6.500 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.605 5.142 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.037 3.914 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.955 5.640 2.245 1.00 0.00 H new ATOM 621 N TRP A 37 7.831 3.185 0.691 1.00 0.00 N ATOM 622 CA TRP A 37 8.018 1.921 -0.016 1.00 0.00 C ATOM 623 C TRP A 37 9.392 1.847 -0.700 1.00 0.00 C ATOM 624 O TRP A 37 9.620 2.563 -1.668 1.00 0.00 O ATOM 625 CB TRP A 37 6.859 1.746 -1.025 1.00 0.00 C ATOM 626 CG TRP A 37 7.120 0.793 -2.153 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.472 -0.506 -2.039 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.156 1.089 -3.579 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.939 -0.958 -3.257 1.00 0.00 N ATOM 630 CE2 TRP A 37 7.829 0.015 -4.234 1.00 0.00 C ATOM 631 CE3 TRP A 37 6.776 2.198 -4.374 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.235 0.105 -5.581 1.00 0.00 C ATOM 633 CZ3 TRP A 37 7.063 2.236 -5.754 1.00 0.00 C ATOM 634 CH2 TRP A 37 7.859 1.230 -6.340 1.00 0.00 C ATOM 0 H TRP A 37 7.910 4.001 0.085 1.00 0.00 H new ATOM 0 HA TRP A 37 7.998 1.099 0.700 1.00 0.00 H new ATOM 0 HB2 TRP A 37 5.977 1.406 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.617 2.722 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.400 -1.097 -1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.317 -1.892 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.258 3.028 -3.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.828 -0.680 -6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.672 3.037 -6.364 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.179 1.322 -7.367 1.00 0.00 H new ATOM 645 N SER A 38 10.303 0.972 -0.237 1.00 0.00 N ATOM 646 CA SER A 38 11.613 0.790 -0.874 1.00 0.00 C ATOM 647 C SER A 38 11.360 0.096 -2.219 1.00 0.00 C ATOM 648 O SER A 38 10.575 -0.850 -2.265 1.00 0.00 O ATOM 649 CB SER A 38 12.565 -0.050 -0.005 1.00 0.00 C ATOM 650 OG SER A 38 12.773 0.553 1.253 1.00 0.00 O ATOM 0 H SER A 38 10.152 0.379 0.579 1.00 0.00 H new ATOM 0 HA SER A 38 12.098 1.757 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.151 -1.049 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.520 -0.168 -0.517 1.00 0.00 H new ATOM 0 HG SER A 38 13.367 1.325 1.151 1.00 0.00 H new ATOM 656 N GLY A 39 12.012 0.552 -3.300 1.00 0.00 N ATOM 657 CA GLY A 39 11.847 0.020 -4.654 1.00 0.00 C ATOM 658 C GLY A 39 12.457 -1.367 -4.904 1.00 0.00 C ATOM 659 O GLY A 39 13.078 -1.581 -5.944 1.00 0.00 O ATOM 0 H GLY A 39 12.683 1.319 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.781 -0.026 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.291 0.724 -5.358 1.00 0.00 H new ATOM 663 N CYS A 40 12.252 -2.304 -3.967 1.00 0.00 N ATOM 664 CA CYS A 40 12.713 -3.688 -3.958 1.00 0.00 C ATOM 665 C CYS A 40 12.403 -4.278 -2.569 1.00 0.00 C ATOM 666 O CYS A 40 12.682 -3.646 -1.548 1.00 0.00 O ATOM 667 CB CYS A 40 14.214 -3.806 -4.313 1.00 0.00 C ATOM 668 SG CYS A 40 15.339 -2.490 -3.735 1.00 0.00 S ATOM 0 H CYS A 40 11.713 -2.088 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 40 12.189 -4.254 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.577 -4.754 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.297 -3.863 -5.398 1.00 0.00 H new ATOM 673 N GLY A 41 11.804 -5.480 -2.538 1.00 0.00 N ATOM 674 CA GLY A 41 11.431 -6.209 -1.326 1.00 0.00 C ATOM 675 C GLY A 41 10.078 -5.781 -0.734 1.00 0.00 C ATOM 676 O GLY A 41 9.445 -4.835 -1.206 1.00 0.00 O ATOM 0 H GLY A 41 11.560 -5.984 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.397 -7.275 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.207 -6.066 -0.574 1.00 0.00 H new ATOM 680 N GLY A 42 9.640 -6.504 0.311 1.00 0.00 N ATOM 681 CA GLY A 42 8.393 -6.275 1.039 1.00 0.00 C ATOM 682 C GLY A 42 7.136 -6.795 0.323 1.00 0.00 C ATOM 683 O GLY A 42 7.211 -7.301 -0.797 1.00 0.00 O ATOM 0 H GLY A 42 10.170 -7.293 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.464 -6.753 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.280 -5.205 1.215 1.00 0.00 H new ATOM 687 N ASN A 43 5.972 -6.660 0.985 1.00 0.00 N ATOM 688 CA ASN A 43 4.662 -7.091 0.482 1.00 0.00 C ATOM 689 C ASN A 43 4.111 -6.077 -0.533 1.00 0.00 C ATOM 690 O ASN A 43 4.802 -5.137 -0.933 1.00 0.00 O ATOM 691 CB ASN A 43 3.646 -7.263 1.638 1.00 0.00 C ATOM 692 CG ASN A 43 4.240 -7.874 2.911 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.387 -7.190 3.922 1.00 0.00 O ATOM 694 ND2 ASN A 43 4.592 -9.162 2.861 1.00 0.00 N ATOM 0 H ASN A 43 5.920 -6.235 1.911 1.00 0.00 H new ATOM 0 HA ASN A 43 4.802 -8.054 -0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.220 -6.289 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.825 -7.893 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.999 -9.612 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.454 -9.696 2.003 1.00 0.00 H new ATOM 701 N SER A 44 2.844 -6.263 -0.931 1.00 0.00 N ATOM 702 CA SER A 44 2.160 -5.406 -1.879 1.00 0.00 C ATOM 703 C SER A 44 1.445 -4.251 -1.158 1.00 0.00 C ATOM 704 O SER A 44 2.129 -3.403 -0.582 1.00 0.00 O ATOM 705 CB SER A 44 1.240 -6.267 -2.752 1.00 0.00 C ATOM 706 OG SER A 44 2.002 -7.175 -3.523 1.00 0.00 O ATOM 0 H SER A 44 2.265 -7.031 -0.590 1.00 0.00 H new ATOM 0 HA SER A 44 2.874 -4.922 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.538 -6.814 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.649 -5.629 -3.409 1.00 0.00 H new ATOM 0 HG SER A 44 1.469 -7.486 -4.284 1.00 0.00 H new ATOM 712 N ASN A 45 0.096 -4.217 -1.177 1.00 0.00 N ATOM 713 CA ASN A 45 -0.764 -3.141 -0.636 1.00 0.00 C ATOM 714 C ASN A 45 -0.187 -1.741 -0.992 1.00 0.00 C ATOM 715 O ASN A 45 -0.281 -0.771 -0.242 1.00 0.00 O ATOM 716 CB ASN A 45 -1.099 -3.431 0.845 1.00 0.00 C ATOM 717 CG ASN A 45 -1.981 -2.368 1.523 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.713 -1.637 0.861 1.00 0.00 O ATOM 719 ND2 ASN A 45 -1.921 -2.270 2.855 1.00 0.00 N ATOM 0 H ASN A 45 -0.450 -4.974 -1.589 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.741 -3.122 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.603 -4.396 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.167 -3.521 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.490 -1.578 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.306 -2.888 3.385 1.00 0.00 H new ATOM 726 N ARG A 46 0.466 -1.703 -2.163 1.00 0.00 N ATOM 727 CA ARG A 46 1.136 -0.623 -2.855 1.00 0.00 C ATOM 728 C ARG A 46 0.179 0.078 -3.822 1.00 0.00 C ATOM 729 O ARG A 46 -0.311 -0.574 -4.745 1.00 0.00 O ATOM 730 CB ARG A 46 2.318 -1.268 -3.589 1.00 0.00 C ATOM 731 CG ARG A 46 3.183 -0.262 -4.360 1.00 0.00 C ATOM 732 CD ARG A 46 4.201 -1.016 -5.228 1.00 0.00 C ATOM 733 NE ARG A 46 4.831 -0.135 -6.219 1.00 0.00 N ATOM 734 CZ ARG A 46 4.268 0.312 -7.358 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.005 -0.004 -7.688 1.00 0.00 N ATOM 736 NH2 ARG A 46 4.981 1.089 -8.185 1.00 0.00 N ATOM 0 H ARG A 46 0.538 -2.559 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 46 1.482 0.148 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.942 -1.792 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.939 -2.017 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.553 0.369 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.701 0.396 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.969 -1.453 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.703 -1.840 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 46 5.786 0.167 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.449 -0.595 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.602 0.347 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.942 1.337 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.563 1.432 -9.050 1.00 0.00 H new ATOM 750 N PHE A 47 -0.058 1.388 -3.663 1.00 0.00 N ATOM 751 CA PHE A 47 -0.937 2.151 -4.511 1.00 0.00 C ATOM 752 C PHE A 47 -0.347 3.552 -4.720 1.00 0.00 C ATOM 753 O PHE A 47 0.050 4.212 -3.763 1.00 0.00 O ATOM 754 CB PHE A 47 -2.282 2.163 -3.795 1.00 0.00 C ATOM 755 CG PHE A 47 -3.047 0.863 -4.000 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.623 0.565 -5.257 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.112 -0.091 -2.958 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.279 -0.668 -5.462 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.723 -1.343 -3.180 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.324 -1.624 -4.425 1.00 0.00 C ATOM 0 H PHE A 47 0.372 1.942 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.058 1.728 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.124 2.327 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.880 2.998 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.561 1.282 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.693 0.140 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.746 -0.880 -6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.731 -2.087 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.819 -2.571 -4.584 1.00 0.00 H new ATOM 770 N LYS A 48 -0.292 3.997 -5.983 1.00 0.00 N ATOM 771 CA LYS A 48 0.234 5.267 -6.442 1.00 0.00 C ATOM 772 C LYS A 48 -0.685 6.445 -6.105 1.00 0.00 C ATOM 773 O LYS A 48 -0.201 7.457 -5.602 1.00 0.00 O ATOM 774 CB LYS A 48 0.436 5.142 -7.955 1.00 0.00 C ATOM 775 CG LYS A 48 1.613 4.214 -8.295 1.00 0.00 C ATOM 776 CD LYS A 48 1.911 4.272 -9.796 1.00 0.00 C ATOM 777 CE LYS A 48 3.035 3.298 -10.173 1.00 0.00 C ATOM 778 NZ LYS A 48 3.349 3.361 -11.611 1.00 0.00 N ATOM 0 H LYS A 48 -0.641 3.431 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 48 1.173 5.480 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.475 4.758 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.615 6.129 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.496 4.511 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.376 3.191 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.010 4.028 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.196 5.287 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.929 3.532 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.741 2.282 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.113 2.690 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.503 3.114 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.654 4.324 -11.858 1.00 0.00 H new ATOM 792 N THR A 49 -1.983 6.341 -6.424 1.00 0.00 N ATOM 793 CA THR A 49 -2.984 7.375 -6.145 1.00 0.00 C ATOM 794 C THR A 49 -4.063 6.784 -5.220 1.00 0.00 C ATOM 795 O THR A 49 -4.321 5.580 -5.222 1.00 0.00 O ATOM 796 CB THR A 49 -3.541 7.980 -7.453 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.748 6.994 -8.441 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.565 9.021 -8.020 1.00 0.00 C ATOM 0 H THR A 49 -2.371 5.521 -6.891 1.00 0.00 H new ATOM 0 HA THR A 49 -2.528 8.215 -5.620 1.00 0.00 H new ATOM 0 HB THR A 49 -4.495 8.443 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.627 7.125 -8.854 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.972 9.438 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.422 9.820 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.607 8.545 -8.229 1.00 0.00 H new ATOM 806 N ILE A 50 -4.683 7.659 -4.416 1.00 0.00 N ATOM 807 CA ILE A 50 -5.704 7.342 -3.414 1.00 0.00 C ATOM 808 C ILE A 50 -7.010 6.798 -4.004 1.00 0.00 C ATOM 809 O ILE A 50 -7.699 6.002 -3.364 1.00 0.00 O ATOM 810 CB ILE A 50 -5.964 8.601 -2.542 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.651 9.112 -1.901 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.996 8.304 -1.435 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.827 10.391 -1.069 1.00 0.00 C ATOM 0 H ILE A 50 -4.474 8.657 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.314 6.530 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.362 9.375 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.239 8.329 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.921 9.299 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.159 9.202 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.937 7.993 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.622 7.506 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.865 10.689 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.209 11.189 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.532 10.204 -0.259 1.00 0.00 H new ATOM 825 N GLU A 51 -7.340 7.199 -5.231 1.00 0.00 N ATOM 826 CA GLU A 51 -8.563 6.788 -5.912 1.00 0.00 C ATOM 827 C GLU A 51 -8.408 5.346 -6.339 1.00 0.00 C ATOM 828 O GLU A 51 -9.219 4.488 -6.019 1.00 0.00 O ATOM 829 CB GLU A 51 -8.838 7.725 -7.099 1.00 0.00 C ATOM 830 CG GLU A 51 -8.889 9.192 -6.650 1.00 0.00 C ATOM 831 CD GLU A 51 -9.516 10.090 -7.718 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.792 10.419 -8.684 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.710 10.427 -7.558 1.00 0.00 O ATOM 0 H GLU A 51 -6.757 7.826 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.424 6.859 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.060 7.600 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.783 7.453 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.463 9.270 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.880 9.540 -6.429 1.00 0.00 H new ATOM 840 N GLU A 52 -7.310 5.137 -7.047 1.00 0.00 N ATOM 841 CA GLU A 52 -6.769 3.895 -7.566 1.00 0.00 C ATOM 842 C GLU A 52 -6.645 2.871 -6.432 1.00 0.00 C ATOM 843 O GLU A 52 -6.830 1.674 -6.651 1.00 0.00 O ATOM 844 CB GLU A 52 -5.409 4.262 -8.189 1.00 0.00 C ATOM 845 CG GLU A 52 -5.537 4.587 -9.689 1.00 0.00 C ATOM 846 CD GLU A 52 -6.536 5.714 -9.979 1.00 0.00 C ATOM 847 OE1 GLU A 52 -6.105 6.888 -9.956 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.720 5.385 -10.215 1.00 0.00 O ATOM 0 H GLU A 52 -6.711 5.923 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.410 3.433 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.989 5.121 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.712 3.435 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.558 4.868 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.847 3.689 -10.224 1.00 0.00 H new ATOM 855 N CYS A 53 -6.329 3.349 -5.221 1.00 0.00 N ATOM 856 CA CYS A 53 -6.245 2.545 -4.021 1.00 0.00 C ATOM 857 C CYS A 53 -7.665 2.115 -3.678 1.00 0.00 C ATOM 858 O CYS A 53 -7.956 0.922 -3.691 1.00 0.00 O ATOM 859 CB CYS A 53 -5.634 3.368 -2.886 1.00 0.00 C ATOM 860 SG CYS A 53 -4.983 2.443 -1.469 1.00 0.00 S ATOM 0 H CYS A 53 -6.121 4.334 -5.058 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.609 1.672 -4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.825 3.970 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.393 4.060 -2.521 1.00 0.00 H new ATOM 865 N ARG A 54 -8.553 3.098 -3.443 1.00 0.00 N ATOM 866 CA ARG A 54 -9.943 2.813 -3.083 1.00 0.00 C ATOM 867 C ARG A 54 -10.721 2.016 -4.154 1.00 0.00 C ATOM 868 O ARG A 54 -11.667 1.318 -3.796 1.00 0.00 O ATOM 869 CB ARG A 54 -10.679 4.103 -2.697 1.00 0.00 C ATOM 870 CG ARG A 54 -10.122 4.709 -1.393 1.00 0.00 C ATOM 871 CD ARG A 54 -11.146 5.645 -0.739 1.00 0.00 C ATOM 872 NE ARG A 54 -11.177 6.952 -1.410 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.977 7.983 -1.082 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.874 7.880 -0.089 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.872 9.135 -1.759 1.00 0.00 N ATOM 0 H ARG A 54 -8.328 4.091 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.901 2.156 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.587 4.830 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.742 3.893 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.860 3.910 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.206 5.259 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.136 5.190 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.899 5.780 0.314 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.537 7.090 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.959 7.008 0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.471 8.674 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.191 9.223 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.473 9.924 -1.520 1.00 0.00 H new ATOM 889 N ARG A 55 -10.360 2.077 -5.446 1.00 0.00 N ATOM 890 CA ARG A 55 -11.024 1.328 -6.514 1.00 0.00 C ATOM 891 C ARG A 55 -11.080 -0.187 -6.251 1.00 0.00 C ATOM 892 O ARG A 55 -12.008 -0.865 -6.685 1.00 0.00 O ATOM 893 CB ARG A 55 -10.211 1.559 -7.793 1.00 0.00 C ATOM 894 CG ARG A 55 -10.578 2.880 -8.485 1.00 0.00 C ATOM 895 CD ARG A 55 -11.793 2.734 -9.408 1.00 0.00 C ATOM 896 NE ARG A 55 -12.098 3.999 -10.091 1.00 0.00 N ATOM 897 CZ ARG A 55 -13.136 4.207 -10.921 1.00 0.00 C ATOM 898 NH1 ARG A 55 -14.001 3.223 -11.216 1.00 0.00 N ATOM 899 NH2 ARG A 55 -13.310 5.420 -11.464 1.00 0.00 N ATOM 0 H ARG A 55 -9.589 2.656 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.054 1.678 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.148 1.561 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.379 0.731 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.787 3.638 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.725 3.234 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.600 1.956 -10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.658 2.414 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.470 4.785 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.878 2.296 -10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.781 3.402 -11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.659 6.174 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.094 5.589 -12.095 1.00 0.00 H new ATOM 913 N THR A 56 -10.052 -0.696 -5.567 1.00 0.00 N ATOM 914 CA THR A 56 -9.825 -2.090 -5.210 1.00 0.00 C ATOM 915 C THR A 56 -9.989 -2.313 -3.698 1.00 0.00 C ATOM 916 O THR A 56 -10.703 -3.229 -3.294 1.00 0.00 O ATOM 917 CB THR A 56 -8.406 -2.474 -5.693 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.334 -2.349 -7.102 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.018 -3.913 -5.326 1.00 0.00 C ATOM 0 H THR A 56 -9.303 -0.095 -5.225 1.00 0.00 H new ATOM 0 HA THR A 56 -10.566 -2.728 -5.693 1.00 0.00 H new ATOM 0 HB THR A 56 -7.714 -1.796 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.434 -2.591 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.013 -4.123 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.043 -4.031 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.723 -4.608 -5.783 1.00 0.00 H new ATOM 927 N CYS A 57 -9.345 -1.478 -2.868 1.00 0.00 N ATOM 928 CA CYS A 57 -9.325 -1.523 -1.423 1.00 0.00 C ATOM 929 C CYS A 57 -10.690 -1.253 -0.806 1.00 0.00 C ATOM 930 O CYS A 57 -11.027 -1.836 0.225 1.00 0.00 O ATOM 931 CB CYS A 57 -8.283 -0.510 -0.941 1.00 0.00 C ATOM 932 SG CYS A 57 -6.560 -0.795 -1.455 1.00 0.00 S ATOM 0 H CYS A 57 -8.789 -0.703 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.059 -2.529 -1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.583 0.478 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.313 -0.485 0.148 1.00 0.00 H new ATOM 937 N ILE A 58 -11.452 -0.369 -1.452 1.00 0.00 N ATOM 938 CA ILE A 58 -12.799 0.030 -1.028 1.00 0.00 C ATOM 939 C ILE A 58 -13.894 -0.493 -1.985 1.00 0.00 C ATOM 940 O ILE A 58 -15.069 -0.524 -1.623 1.00 0.00 O ATOM 941 CB ILE A 58 -12.888 1.555 -0.818 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.739 2.098 0.061 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.213 1.958 -0.144 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.617 1.522 1.463 1.00 0.00 C ATOM 0 H ILE A 58 -11.145 0.101 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.988 -0.443 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.820 1.986 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.799 1.922 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.858 3.178 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.240 3.040 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.049 1.648 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.289 1.472 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.773 1.985 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.533 1.722 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.457 0.446 1.401 1.00 0.00 H new ATOM 956 N ARG A 59 -13.496 -0.925 -3.189 1.00 0.00 N ATOM 957 CA ARG A 59 -14.284 -1.446 -4.299 1.00 0.00 C ATOM 958 C ARG A 59 -14.845 -0.276 -5.127 1.00 0.00 C ATOM 959 O ARG A 59 -15.251 0.748 -4.576 1.00 0.00 O ATOM 960 CB ARG A 59 -15.403 -2.404 -3.849 1.00 0.00 C ATOM 961 CG ARG A 59 -15.674 -3.405 -4.986 1.00 0.00 C ATOM 962 CD ARG A 59 -17.122 -3.898 -5.043 1.00 0.00 C ATOM 963 NE ARG A 59 -17.481 -4.771 -3.915 1.00 0.00 N ATOM 964 CZ ARG A 59 -17.276 -6.100 -3.847 1.00 0.00 C ATOM 965 NH1 ARG A 59 -16.565 -6.751 -4.782 1.00 0.00 N ATOM 966 NH2 ARG A 59 -17.792 -6.788 -2.818 1.00 0.00 N ATOM 0 H ARG A 59 -12.505 -0.914 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.619 -2.045 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.108 -2.932 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.308 -1.845 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.422 -2.937 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.012 -4.263 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.792 -3.038 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.279 -4.438 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.926 -4.329 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.165 -6.238 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.425 -7.758 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.331 -6.304 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.645 -7.795 -2.753 1.00 0.00 H new ATOM 980 N LYS A 60 -14.880 -0.446 -6.457 1.00 0.00 N ATOM 981 CA LYS A 60 -15.373 0.536 -7.422 1.00 0.00 C ATOM 982 C LYS A 60 -16.911 0.539 -7.514 1.00 0.00 C ATOM 983 O LYS A 60 -17.422 1.350 -8.318 1.00 0.00 O ATOM 984 CB LYS A 60 -14.705 0.281 -8.792 1.00 0.00 C ATOM 985 CG LYS A 60 -14.764 -1.149 -9.365 1.00 0.00 C ATOM 986 CD LYS A 60 -16.184 -1.681 -9.607 1.00 0.00 C ATOM 987 CE LYS A 60 -16.141 -3.005 -10.382 1.00 0.00 C ATOM 988 NZ LYS A 60 -17.493 -3.541 -10.614 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.562 -0.243 -6.783 1.00 0.00 O ATOM 0 H LYS A 60 -14.553 -1.304 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.099 1.534 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.163 0.952 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.656 0.567 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.216 -1.172 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.249 -1.823 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.690 -1.828 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.763 -0.946 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.641 -2.852 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.550 -3.734 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.426 -4.436 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.961 -3.710 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.048 -2.856 -11.165 1.00 0.00 H new TER 1003 LYS A 60