USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 50 LYS NZ :NH3+ 165:sc= -3.12! (180deg=-3.24!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -116:sc= -1.07 (180deg=-3.91!) USER MOD Set 2.1: A 18 TYR OH : rot -30:sc= -1.17 USER MOD Set 2.2: A 46 SER OG : rot 79:sc= 0.806 USER MOD Set 3.1: A 33 HIS : no HD1:sc= -9.81! C(o=-15!,f=-15!) USER MOD Set 3.2: A 36 MET CE :methyl -147:sc= -4.92! (180deg=0) USER MOD Set 4.1: A 25 LYS NZ :NH3+ -169:sc= 1.87 (180deg=1.6) USER MOD Set 4.2: A 29 TYR OH : rot -30:sc= 0.19 USER MOD Set 4.3: A 48 LYS NZ :NH3+ -118:sc= 1.17 (180deg=0) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.814 (180deg=-2.19!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.295 (180deg=-0.786) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0358) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= -0.774 (180deg=-0.82) USER MOD Single : A 7 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.52) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.08) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 161:sc= -3.37 (180deg=-4.07!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.311 K(o=0.31,f=-2.8!) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.04 USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.42!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.93! USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.265) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.508) USER MOD Single : A 58 MET CE :methyl -149:sc= -0.169 (180deg=-1.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 150:sc= -0.0431 USER MOD Single : A 62 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.15) USER MOD Single : A 65 GLN : amide:sc=-0.00211 X(o=-0.0021,f=-0.095) USER MOD Single : A 68 LYS NZ :NH3+ 150:sc=-0.00695 (180deg=-0.546) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 82 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.074) USER MOD Single : A 87 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.35) USER MOD Single : A 88 ASN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc=-0.00461 (180deg=-0.00461) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.563 7.718 3.332 1.00 0.00 N ATOM 2 CA MET A 1 -15.311 7.708 4.797 1.00 0.00 C ATOM 3 C MET A 1 -13.815 7.744 5.097 1.00 0.00 C ATOM 4 O MET A 1 -13.287 6.868 5.781 1.00 0.00 O ATOM 5 CB MET A 1 -15.941 6.449 5.392 1.00 0.00 C ATOM 6 CG MET A 1 -17.435 6.336 5.134 1.00 0.00 C ATOM 7 SD MET A 1 -17.822 5.254 3.745 1.00 0.00 S ATOM 8 CE MET A 1 -18.593 6.412 2.618 1.00 0.00 C ATOM 0 H1 MET A 1 -16.155 8.537 3.087 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.658 7.782 2.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.053 6.842 3.058 1.00 0.00 H new ATOM 0 HA MET A 1 -15.757 8.596 5.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.442 5.573 4.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.765 6.438 6.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.927 5.959 6.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.842 7.328 4.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.435 5.930 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.948 7.280 3.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.866 6.732 1.872 1.00 0.00 H new ATOM 20 N LYS A 2 -13.138 8.765 4.580 1.00 0.00 N ATOM 21 CA LYS A 2 -11.703 8.916 4.794 1.00 0.00 C ATOM 22 C LYS A 2 -11.255 10.341 4.493 1.00 0.00 C ATOM 23 O LYS A 2 -11.926 11.074 3.766 1.00 0.00 O ATOM 24 CB LYS A 2 -10.929 7.930 3.915 1.00 0.00 C ATOM 25 CG LYS A 2 -11.332 7.977 2.450 1.00 0.00 C ATOM 26 CD LYS A 2 -10.413 8.885 1.649 1.00 0.00 C ATOM 27 CE LYS A 2 -10.872 9.010 0.204 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.559 10.307 -0.052 1.00 0.00 N ATOM 0 H LYS A 2 -13.560 9.499 4.011 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.493 8.702 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.863 8.142 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.083 6.920 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.306 6.971 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.359 8.331 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.384 9.873 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.397 8.491 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.012 8.918 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.547 8.188 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.856 10.352 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.395 10.384 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.907 11.091 0.151 1.00 0.00 H new ATOM 42 N LYS A 3 -10.116 10.731 5.058 1.00 0.00 N ATOM 43 CA LYS A 3 -9.580 12.072 4.850 1.00 0.00 C ATOM 44 C LYS A 3 -8.560 12.080 3.715 1.00 0.00 C ATOM 45 O LYS A 3 -7.740 11.170 3.598 1.00 0.00 O ATOM 46 CB LYS A 3 -8.934 12.590 6.137 1.00 0.00 C ATOM 47 CG LYS A 3 -9.918 12.764 7.283 1.00 0.00 C ATOM 48 CD LYS A 3 -9.973 14.206 7.760 1.00 0.00 C ATOM 49 CE LYS A 3 -10.975 14.381 8.889 1.00 0.00 C ATOM 50 NZ LYS A 3 -10.517 13.724 10.145 1.00 0.00 N ATOM 0 H LYS A 3 -9.547 10.138 5.663 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.406 12.729 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.150 11.898 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.453 13.547 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.911 12.448 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.630 12.117 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.984 14.516 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.244 14.856 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.134 15.444 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.936 13.962 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.167 13.965 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.504 12.693 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.560 14.055 10.381 1.00 0.00 H new ATOM 64 N LEU A 4 -8.617 13.115 2.884 1.00 0.00 N ATOM 65 CA LEU A 4 -7.699 13.242 1.758 1.00 0.00 C ATOM 66 C LEU A 4 -7.938 14.548 1.008 1.00 0.00 C ATOM 67 O LEU A 4 -9.080 14.943 0.778 1.00 0.00 O ATOM 68 CB LEU A 4 -7.859 12.055 0.805 1.00 0.00 C ATOM 69 CG LEU A 4 -6.564 11.570 0.151 1.00 0.00 C ATOM 70 CD1 LEU A 4 -5.983 10.397 0.925 1.00 0.00 C ATOM 71 CD2 LEU A 4 -6.810 11.186 -1.304 1.00 0.00 C ATOM 0 H LEU A 4 -9.289 13.878 2.969 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.682 13.249 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.304 11.225 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.563 12.331 0.020 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.841 12.386 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.062 10.065 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.768 10.707 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.702 9.577 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.877 10.844 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.550 10.387 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.179 12.053 -1.852 1.00 0.00 H new ATOM 83 N LYS A 5 -6.852 15.215 0.629 1.00 0.00 N ATOM 84 CA LYS A 5 -6.948 16.477 -0.096 1.00 0.00 C ATOM 85 C LYS A 5 -5.661 16.765 -0.867 1.00 0.00 C ATOM 86 O LYS A 5 -5.324 17.924 -1.117 1.00 0.00 O ATOM 87 CB LYS A 5 -7.245 17.625 0.874 1.00 0.00 C ATOM 88 CG LYS A 5 -8.696 18.078 0.852 1.00 0.00 C ATOM 89 CD LYS A 5 -9.023 18.841 -0.421 1.00 0.00 C ATOM 90 CE LYS A 5 -9.793 17.978 -1.410 1.00 0.00 C ATOM 91 NZ LYS A 5 -11.155 18.519 -1.677 1.00 0.00 N ATOM 0 H LYS A 5 -5.898 14.904 0.811 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.766 16.394 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.986 17.312 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.604 18.472 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.350 17.210 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.894 18.711 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.611 19.725 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.100 19.190 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.238 17.915 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.875 16.964 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.647 17.903 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.694 18.556 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.076 19.477 -2.074 1.00 0.00 H new ATOM 105 N LYS A 6 -4.947 15.709 -1.243 1.00 0.00 N ATOM 106 CA LYS A 6 -3.701 15.858 -1.989 1.00 0.00 C ATOM 107 C LYS A 6 -2.698 16.707 -1.201 1.00 0.00 C ATOM 108 O LYS A 6 -2.697 16.687 0.031 1.00 0.00 O ATOM 109 CB LYS A 6 -3.983 16.485 -3.358 1.00 0.00 C ATOM 110 CG LYS A 6 -5.194 15.894 -4.063 1.00 0.00 C ATOM 111 CD LYS A 6 -4.869 15.492 -5.493 1.00 0.00 C ATOM 112 CE LYS A 6 -4.447 14.035 -5.581 1.00 0.00 C ATOM 113 NZ LYS A 6 -2.990 13.862 -5.326 1.00 0.00 N ATOM 0 H LYS A 6 -5.208 14.743 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.262 14.872 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.134 17.557 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.106 16.359 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.548 15.023 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.006 16.622 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.741 15.658 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.071 16.127 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.014 13.449 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.691 13.645 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.755 12.849 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.448 14.345 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.748 14.271 -4.401 1.00 0.00 H new ATOM 127 N HIS A 7 -1.845 17.448 -1.911 1.00 0.00 N ATOM 128 CA HIS A 7 -0.842 18.298 -1.271 1.00 0.00 C ATOM 129 C HIS A 7 0.311 17.460 -0.723 1.00 0.00 C ATOM 130 O HIS A 7 0.114 16.321 -0.296 1.00 0.00 O ATOM 131 CB HIS A 7 -1.470 19.134 -0.149 1.00 0.00 C ATOM 132 CG HIS A 7 -1.345 20.611 -0.362 1.00 0.00 C ATOM 133 ND1 HIS A 7 -1.035 21.493 0.650 1.00 0.00 N ATOM 134 CD2 HIS A 7 -1.489 21.359 -1.481 1.00 0.00 C ATOM 135 CE1 HIS A 7 -0.993 22.721 0.164 1.00 0.00 C ATOM 136 NE2 HIS A 7 -1.264 22.667 -1.126 1.00 0.00 N ATOM 0 H HIS A 7 -1.830 17.476 -2.931 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.447 18.976 -2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.525 18.876 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.998 18.870 0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.735 20.996 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.774 23.616 0.727 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -1.301 23.467 -1.758 1.00 0.00 H new ATOM 145 N PRO A 8 1.537 18.013 -0.734 1.00 0.00 N ATOM 146 CA PRO A 8 2.726 17.310 -0.241 1.00 0.00 C ATOM 147 C PRO A 8 2.762 17.214 1.280 1.00 0.00 C ATOM 148 O PRO A 8 2.917 18.220 1.972 1.00 0.00 O ATOM 149 CB PRO A 8 3.878 18.176 -0.745 1.00 0.00 C ATOM 150 CG PRO A 8 3.303 19.546 -0.845 1.00 0.00 C ATOM 151 CD PRO A 8 1.860 19.364 -1.232 1.00 0.00 C ATOM 0 HA PRO A 8 2.760 16.278 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.723 18.150 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.242 17.828 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.388 20.075 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.835 20.139 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.224 20.122 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.721 19.438 -2.311 1.00 0.00 H new ATOM 159 N ASP A 9 2.623 15.995 1.793 1.00 0.00 N ATOM 160 CA ASP A 9 2.643 15.756 3.235 1.00 0.00 C ATOM 161 C ASP A 9 2.288 14.306 3.544 1.00 0.00 C ATOM 162 O ASP A 9 2.964 13.646 4.333 1.00 0.00 O ATOM 163 CB ASP A 9 1.669 16.698 3.952 1.00 0.00 C ATOM 164 CG ASP A 9 2.377 17.862 4.620 1.00 0.00 C ATOM 165 OD1 ASP A 9 3.233 17.614 5.494 1.00 0.00 O ATOM 166 OD2 ASP A 9 2.074 19.022 4.266 1.00 0.00 O ATOM 0 H ASP A 9 2.495 15.154 1.230 1.00 0.00 H new ATOM 0 HA ASP A 9 3.652 15.954 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.943 17.081 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.111 16.137 4.702 1.00 0.00 H new ATOM 171 N PHE A 10 1.223 13.818 2.918 1.00 0.00 N ATOM 172 CA PHE A 10 0.775 12.447 3.121 1.00 0.00 C ATOM 173 C PHE A 10 -0.139 12.001 1.980 1.00 0.00 C ATOM 174 O PHE A 10 -1.314 11.698 2.194 1.00 0.00 O ATOM 175 CB PHE A 10 0.046 12.324 4.462 1.00 0.00 C ATOM 176 CG PHE A 10 0.368 11.062 5.211 1.00 0.00 C ATOM 177 CD1 PHE A 10 1.674 10.765 5.565 1.00 0.00 C ATOM 178 CD2 PHE A 10 -0.636 10.174 5.561 1.00 0.00 C ATOM 179 CE1 PHE A 10 1.972 9.606 6.255 1.00 0.00 C ATOM 180 CE2 PHE A 10 -0.344 9.014 6.251 1.00 0.00 C ATOM 181 CZ PHE A 10 0.962 8.728 6.598 1.00 0.00 C ATOM 0 H PHE A 10 0.653 14.354 2.264 1.00 0.00 H new ATOM 0 HA PHE A 10 1.650 11.797 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.302 13.181 5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.029 12.368 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.468 11.447 5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.659 10.391 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.994 9.386 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.136 8.331 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.193 7.820 7.136 1.00 0.00 H new ATOM 191 N PRO A 11 0.391 11.957 0.745 1.00 0.00 N ATOM 192 CA PRO A 11 -0.383 11.547 -0.432 1.00 0.00 C ATOM 193 C PRO A 11 -1.037 10.182 -0.254 1.00 0.00 C ATOM 194 O PRO A 11 -1.022 9.614 0.839 1.00 0.00 O ATOM 195 CB PRO A 11 0.664 11.495 -1.550 1.00 0.00 C ATOM 196 CG PRO A 11 1.748 12.412 -1.100 1.00 0.00 C ATOM 197 CD PRO A 11 1.783 12.303 0.398 1.00 0.00 C ATOM 0 HA PRO A 11 -1.207 12.232 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.038 10.481 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.242 11.818 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.706 12.127 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.548 13.437 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.483 11.536 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.093 13.239 0.862 1.00 0.00 H new ATOM 205 N LYS A 12 -1.608 9.661 -1.334 1.00 0.00 N ATOM 206 CA LYS A 12 -2.267 8.360 -1.300 1.00 0.00 C ATOM 207 C LYS A 12 -1.243 7.230 -1.316 1.00 0.00 C ATOM 208 O LYS A 12 -0.593 6.984 -2.333 1.00 0.00 O ATOM 209 CB LYS A 12 -3.218 8.217 -2.491 1.00 0.00 C ATOM 210 CG LYS A 12 -4.630 8.701 -2.207 1.00 0.00 C ATOM 211 CD LYS A 12 -5.294 9.251 -3.459 1.00 0.00 C ATOM 212 CE LYS A 12 -6.746 8.810 -3.561 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.905 7.620 -4.441 1.00 0.00 N ATOM 0 H LYS A 12 -1.628 10.120 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.839 8.295 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.815 8.776 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.256 7.170 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.225 7.878 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.603 9.474 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.243 10.340 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.748 8.914 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.126 8.579 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.348 9.631 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.909 7.352 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.566 7.848 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.351 6.828 -4.057 1.00 0.00 H new ATOM 227 N LYS A 13 -1.103 6.548 -0.186 1.00 0.00 N ATOM 228 CA LYS A 13 -0.156 5.444 -0.072 1.00 0.00 C ATOM 229 C LYS A 13 -0.735 4.164 -0.672 1.00 0.00 C ATOM 230 O LYS A 13 -1.945 3.940 -0.628 1.00 0.00 O ATOM 231 CB LYS A 13 0.216 5.213 1.393 1.00 0.00 C ATOM 232 CG LYS A 13 1.111 6.296 1.971 1.00 0.00 C ATOM 233 CD LYS A 13 1.420 6.042 3.438 1.00 0.00 C ATOM 234 CE LYS A 13 2.875 6.347 3.762 1.00 0.00 C ATOM 235 NZ LYS A 13 3.055 7.736 4.269 1.00 0.00 N ATOM 0 H LYS A 13 -1.633 6.739 0.665 1.00 0.00 H new ATOM 0 HA LYS A 13 0.742 5.710 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.697 5.153 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.719 4.250 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.041 6.341 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.626 7.266 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.771 6.658 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.202 5.002 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.236 5.639 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.483 6.206 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.027 7.854 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.880 8.412 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.384 7.913 5.043 1.00 0.00 H new ATOM 249 N PRO A 14 0.128 3.304 -1.239 1.00 0.00 N ATOM 250 CA PRO A 14 -0.300 2.040 -1.849 1.00 0.00 C ATOM 251 C PRO A 14 -0.733 1.013 -0.808 1.00 0.00 C ATOM 252 O PRO A 14 -0.725 1.290 0.392 1.00 0.00 O ATOM 253 CB PRO A 14 0.953 1.560 -2.582 1.00 0.00 C ATOM 254 CG PRO A 14 2.086 2.168 -1.832 1.00 0.00 C ATOM 255 CD PRO A 14 1.587 3.496 -1.331 1.00 0.00 C ATOM 0 HA PRO A 14 -1.166 2.172 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.018 0.472 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.950 1.881 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.393 1.529 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.956 2.296 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.020 3.748 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.843 4.305 -2.015 1.00 0.00 H new ATOM 263 N LEU A 15 -1.106 -0.176 -1.272 1.00 0.00 N ATOM 264 CA LEU A 15 -1.537 -1.245 -0.378 1.00 0.00 C ATOM 265 C LEU A 15 -0.398 -2.230 -0.131 1.00 0.00 C ATOM 266 O LEU A 15 0.637 -2.174 -0.796 1.00 0.00 O ATOM 267 CB LEU A 15 -2.749 -1.985 -0.957 1.00 0.00 C ATOM 268 CG LEU A 15 -3.578 -1.195 -1.973 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.153 -1.543 -3.392 1.00 0.00 C ATOM 270 CD2 LEU A 15 -5.062 -1.468 -1.778 1.00 0.00 C ATOM 0 H LEU A 15 -1.118 -0.423 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.825 -0.792 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.400 -2.902 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.400 -2.281 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.400 -0.132 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.752 -0.973 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.100 -1.297 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.302 -2.609 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.636 -0.898 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.257 -2.532 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.358 -1.170 -0.772 1.00 0.00 H new ATOM 282 N THR A 16 -0.595 -3.129 0.827 1.00 0.00 N ATOM 283 CA THR A 16 0.418 -4.124 1.158 1.00 0.00 C ATOM 284 C THR A 16 0.520 -5.177 0.058 1.00 0.00 C ATOM 285 O THR A 16 -0.326 -5.237 -0.832 1.00 0.00 O ATOM 286 CB THR A 16 0.091 -4.792 2.495 1.00 0.00 C ATOM 287 OG1 THR A 16 -0.916 -5.776 2.331 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.386 -3.821 3.553 1.00 0.00 C ATOM 0 H THR A 16 -1.445 -3.189 1.387 1.00 0.00 H new ATOM 0 HA THR A 16 1.379 -3.617 1.242 1.00 0.00 H new ATOM 0 HB THR A 16 1.029 -5.236 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.110 -6.193 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.600 -4.363 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.389 -3.078 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.291 -3.322 3.207 1.00 0.00 H new ATOM 296 N PRO A 17 1.558 -6.032 0.109 1.00 0.00 N ATOM 297 CA PRO A 17 1.753 -7.085 -0.889 1.00 0.00 C ATOM 298 C PRO A 17 0.571 -8.044 -0.924 1.00 0.00 C ATOM 299 O PRO A 17 0.260 -8.630 -1.961 1.00 0.00 O ATOM 300 CB PRO A 17 3.025 -7.806 -0.433 1.00 0.00 C ATOM 301 CG PRO A 17 3.697 -6.866 0.510 1.00 0.00 C ATOM 302 CD PRO A 17 2.608 -6.044 1.138 1.00 0.00 C ATOM 0 HA PRO A 17 1.836 -6.683 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.787 -8.750 0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.669 -8.040 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.258 -7.412 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.409 -6.230 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.254 -6.488 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.950 -5.037 1.375 1.00 0.00 H new ATOM 310 N TYR A 18 -0.097 -8.188 0.218 1.00 0.00 N ATOM 311 CA TYR A 18 -1.258 -9.059 0.322 1.00 0.00 C ATOM 312 C TYR A 18 -2.430 -8.465 -0.455 1.00 0.00 C ATOM 313 O TYR A 18 -3.260 -9.191 -1.001 1.00 0.00 O ATOM 314 CB TYR A 18 -1.650 -9.252 1.789 1.00 0.00 C ATOM 315 CG TYR A 18 -2.887 -10.100 1.989 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.182 -11.152 1.127 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.761 -9.849 3.040 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.312 -11.925 1.307 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.893 -10.619 3.227 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.164 -11.656 2.358 1.00 0.00 C ATOM 321 OH TYR A 18 -6.291 -12.425 2.541 1.00 0.00 O ATOM 0 H TYR A 18 0.149 -7.710 1.085 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.003 -10.030 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.817 -9.713 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.815 -8.274 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.516 -11.367 0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.552 -9.038 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.528 -12.737 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.562 -10.410 4.049 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.606 -12.755 1.674 1.00 0.00 H new ATOM 331 N PHE A 19 -2.484 -7.136 -0.497 1.00 0.00 N ATOM 332 CA PHE A 19 -3.548 -6.433 -1.204 1.00 0.00 C ATOM 333 C PHE A 19 -3.270 -6.396 -2.703 1.00 0.00 C ATOM 334 O PHE A 19 -4.117 -6.776 -3.509 1.00 0.00 O ATOM 335 CB PHE A 19 -3.695 -5.009 -0.663 1.00 0.00 C ATOM 336 CG PHE A 19 -4.751 -4.876 0.397 1.00 0.00 C ATOM 337 CD1 PHE A 19 -6.037 -5.343 0.175 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.458 -4.283 1.614 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.010 -5.220 1.148 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.427 -4.158 2.591 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.705 -4.628 2.357 1.00 0.00 C ATOM 0 H PHE A 19 -1.802 -6.525 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.480 -6.973 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.738 -4.684 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.934 -4.338 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.281 -5.808 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.460 -3.914 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.009 -5.587 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.186 -3.694 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.464 -4.532 3.119 1.00 0.00 H new ATOM 351 N ARG A 20 -2.071 -5.951 -3.075 1.00 0.00 N ATOM 352 CA ARG A 20 -1.691 -5.888 -4.485 1.00 0.00 C ATOM 353 C ARG A 20 -1.619 -7.288 -5.093 1.00 0.00 C ATOM 354 O ARG A 20 -1.451 -7.438 -6.303 1.00 0.00 O ATOM 355 CB ARG A 20 -0.344 -5.181 -4.658 1.00 0.00 C ATOM 356 CG ARG A 20 0.698 -5.588 -3.632 1.00 0.00 C ATOM 357 CD ARG A 20 2.096 -5.600 -4.230 1.00 0.00 C ATOM 358 NE ARG A 20 2.212 -6.548 -5.340 1.00 0.00 N ATOM 359 CZ ARG A 20 2.140 -6.208 -6.625 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.927 -4.946 -6.981 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.272 -7.138 -7.561 1.00 0.00 N ATOM 0 H ARG A 20 -1.352 -5.631 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.458 -5.316 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.041 -5.392 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.499 -4.104 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.668 -4.898 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.459 -6.578 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.348 -4.599 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.819 -5.858 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 20 2.357 -7.532 -5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.817 -4.226 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.874 -4.697 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.428 -8.110 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.217 -6.881 -8.547 1.00 0.00 H new ATOM 375 N PHE A 21 -1.741 -8.308 -4.247 1.00 0.00 N ATOM 376 CA PHE A 21 -1.691 -9.694 -4.689 1.00 0.00 C ATOM 377 C PHE A 21 -3.098 -10.271 -4.804 1.00 0.00 C ATOM 378 O PHE A 21 -3.428 -10.965 -5.772 1.00 0.00 O ATOM 379 CB PHE A 21 -0.872 -10.514 -3.692 1.00 0.00 C ATOM 380 CG PHE A 21 -0.764 -11.970 -4.037 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.809 -12.843 -3.779 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.391 -12.465 -4.608 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.700 -14.184 -4.091 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.511 -13.804 -4.921 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.538 -14.667 -4.663 1.00 0.00 C ATOM 0 H PHE A 21 -1.876 -8.196 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.221 -9.736 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.131 -10.092 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.322 -10.418 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.718 -12.471 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.213 -11.795 -4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.522 -14.855 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.422 -14.177 -5.366 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.450 -15.715 -4.908 1.00 0.00 H new ATOM 395 N PHE A 22 -3.928 -9.962 -3.812 1.00 0.00 N ATOM 396 CA PHE A 22 -5.303 -10.431 -3.782 1.00 0.00 C ATOM 397 C PHE A 22 -6.148 -9.555 -4.688 1.00 0.00 C ATOM 398 O PHE A 22 -6.930 -10.044 -5.503 1.00 0.00 O ATOM 399 CB PHE A 22 -5.813 -10.391 -2.330 1.00 0.00 C ATOM 400 CG PHE A 22 -7.308 -10.269 -2.171 1.00 0.00 C ATOM 401 CD1 PHE A 22 -7.947 -9.058 -2.391 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.068 -11.360 -1.784 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.314 -8.941 -2.230 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.435 -11.248 -1.619 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.060 -10.037 -1.843 1.00 0.00 C ATOM 0 H PHE A 22 -3.666 -9.384 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.367 -11.458 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.484 -11.298 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.341 -9.551 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.369 -8.196 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.586 -12.310 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.799 -7.993 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.015 -12.107 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.129 -9.947 -1.716 1.00 0.00 H new ATOM 415 N MET A 23 -5.961 -8.254 -4.533 1.00 0.00 N ATOM 416 CA MET A 23 -6.676 -7.260 -5.311 1.00 0.00 C ATOM 417 C MET A 23 -6.237 -7.270 -6.780 1.00 0.00 C ATOM 418 O MET A 23 -6.872 -6.644 -7.629 1.00 0.00 O ATOM 419 CB MET A 23 -6.450 -5.887 -4.664 1.00 0.00 C ATOM 420 CG MET A 23 -5.358 -5.031 -5.308 1.00 0.00 C ATOM 421 SD MET A 23 -5.983 -3.462 -5.946 1.00 0.00 S ATOM 422 CE MET A 23 -7.290 -4.030 -7.032 1.00 0.00 C ATOM 0 H MET A 23 -5.305 -7.858 -3.860 1.00 0.00 H new ATOM 0 HA MET A 23 -7.741 -7.493 -5.311 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.388 -5.332 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.200 -6.036 -3.614 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.577 -4.834 -4.574 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.897 -5.591 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.978 -3.209 -7.234 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.858 -4.380 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.831 -4.847 -6.554 1.00 0.00 H new ATOM 432 N GLU A 24 -5.144 -7.971 -7.071 1.00 0.00 N ATOM 433 CA GLU A 24 -4.623 -8.047 -8.426 1.00 0.00 C ATOM 434 C GLU A 24 -5.239 -9.216 -9.190 1.00 0.00 C ATOM 435 O GLU A 24 -5.761 -9.041 -10.291 1.00 0.00 O ATOM 436 CB GLU A 24 -3.096 -8.179 -8.379 1.00 0.00 C ATOM 437 CG GLU A 24 -2.517 -9.113 -9.427 1.00 0.00 C ATOM 438 CD GLU A 24 -1.037 -8.881 -9.664 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.545 -7.787 -9.315 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.370 -9.793 -10.197 1.00 0.00 O ATOM 0 H GLU A 24 -4.604 -8.494 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.891 -7.132 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.654 -7.191 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.804 -8.535 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.673 -10.145 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.056 -8.979 -10.365 1.00 0.00 H new ATOM 447 N LYS A 25 -5.160 -10.409 -8.610 1.00 0.00 N ATOM 448 CA LYS A 25 -5.702 -11.598 -9.257 1.00 0.00 C ATOM 449 C LYS A 25 -7.195 -11.760 -8.983 1.00 0.00 C ATOM 450 O LYS A 25 -7.814 -12.709 -9.460 1.00 0.00 O ATOM 451 CB LYS A 25 -4.934 -12.848 -8.823 1.00 0.00 C ATOM 452 CG LYS A 25 -5.280 -13.337 -7.430 1.00 0.00 C ATOM 453 CD LYS A 25 -4.046 -13.855 -6.707 1.00 0.00 C ATOM 454 CE LYS A 25 -3.462 -15.073 -7.409 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.790 -15.998 -6.455 1.00 0.00 N ATOM 0 H LYS A 25 -4.730 -10.578 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.578 -11.470 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.131 -13.648 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.865 -12.638 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.726 -12.524 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.026 -14.129 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.294 -13.067 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.306 -14.114 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.256 -15.606 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.746 -14.748 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.249 -16.711 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.145 -15.458 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.506 -16.472 -5.869 1.00 0.00 H new ATOM 469 N ARG A 26 -7.780 -10.825 -8.233 1.00 0.00 N ATOM 470 CA ARG A 26 -9.209 -10.881 -7.938 1.00 0.00 C ATOM 471 C ARG A 26 -9.984 -11.019 -9.238 1.00 0.00 C ATOM 472 O ARG A 26 -11.070 -11.594 -9.273 1.00 0.00 O ATOM 473 CB ARG A 26 -9.673 -9.616 -7.203 1.00 0.00 C ATOM 474 CG ARG A 26 -9.623 -9.674 -5.674 1.00 0.00 C ATOM 475 CD ARG A 26 -9.598 -11.094 -5.112 1.00 0.00 C ATOM 476 NE ARG A 26 -10.696 -11.925 -5.607 1.00 0.00 N ATOM 477 CZ ARG A 26 -11.985 -11.599 -5.519 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.367 -10.522 -4.843 1.00 0.00 N ATOM 479 NH2 ARG A 26 -12.902 -12.382 -6.071 1.00 0.00 N ATOM 0 H ARG A 26 -7.291 -10.029 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.394 -11.740 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.058 -8.780 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.697 -9.399 -7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.738 -9.141 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.489 -9.149 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.649 -11.564 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.646 -11.049 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.459 -12.813 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.671 -9.934 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.357 -10.282 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.620 -13.231 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.890 -12.135 -6.005 1.00 0.00 H new ATOM 493 N ALA A 27 -9.396 -10.501 -10.309 1.00 0.00 N ATOM 494 CA ALA A 27 -10.002 -10.579 -11.627 1.00 0.00 C ATOM 495 C ALA A 27 -10.070 -12.030 -12.060 1.00 0.00 C ATOM 496 O ALA A 27 -11.020 -12.462 -12.713 1.00 0.00 O ATOM 497 CB ALA A 27 -9.189 -9.773 -12.622 1.00 0.00 C ATOM 0 H ALA A 27 -8.496 -10.021 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.010 -10.166 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.651 -9.838 -13.607 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.155 -8.731 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.175 -10.170 -12.670 1.00 0.00 H new ATOM 503 N LYS A 28 -9.044 -12.776 -11.673 1.00 0.00 N ATOM 504 CA LYS A 28 -8.959 -14.195 -11.996 1.00 0.00 C ATOM 505 C LYS A 28 -9.731 -15.034 -10.979 1.00 0.00 C ATOM 506 O LYS A 28 -9.998 -16.213 -11.209 1.00 0.00 O ATOM 507 CB LYS A 28 -7.495 -14.642 -12.035 1.00 0.00 C ATOM 508 CG LYS A 28 -6.685 -13.976 -13.136 1.00 0.00 C ATOM 509 CD LYS A 28 -6.213 -14.983 -14.173 1.00 0.00 C ATOM 510 CE LYS A 28 -7.382 -15.581 -14.940 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.044 -15.811 -16.372 1.00 0.00 N ATOM 0 H LYS A 28 -8.255 -12.421 -11.133 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.406 -14.346 -12.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.032 -14.425 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.457 -15.723 -12.171 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.290 -13.210 -13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.823 -13.472 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.530 -14.497 -14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.654 -15.779 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.674 -16.525 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.241 -14.913 -14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.866 -16.219 -16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.789 -14.907 -16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.240 -16.468 -16.438 1.00 0.00 H new ATOM 525 N TYR A 29 -10.084 -14.417 -9.854 1.00 0.00 N ATOM 526 CA TYR A 29 -10.817 -15.103 -8.799 1.00 0.00 C ATOM 527 C TYR A 29 -12.302 -14.757 -8.842 1.00 0.00 C ATOM 528 O TYR A 29 -13.148 -15.561 -8.449 1.00 0.00 O ATOM 529 CB TYR A 29 -10.227 -14.745 -7.437 1.00 0.00 C ATOM 530 CG TYR A 29 -9.203 -15.737 -6.949 1.00 0.00 C ATOM 531 CD1 TYR A 29 -8.419 -16.457 -7.841 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.033 -15.962 -5.595 1.00 0.00 C ATOM 533 CE1 TYR A 29 -7.491 -17.374 -7.391 1.00 0.00 C ATOM 534 CE2 TYR A 29 -8.112 -16.876 -5.136 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.340 -17.581 -6.036 1.00 0.00 C ATOM 536 OH TYR A 29 -6.419 -18.496 -5.581 1.00 0.00 O ATOM 0 H TYR A 29 -9.872 -13.440 -9.651 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.720 -16.177 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.767 -13.759 -7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.033 -14.677 -6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.537 -16.297 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.633 -15.411 -4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.887 -17.926 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.994 -17.041 -4.075 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.316 -19.212 -6.242 1.00 0.00 H new ATOM 546 N ALA A 30 -12.615 -13.566 -9.336 1.00 0.00 N ATOM 547 CA ALA A 30 -13.997 -13.129 -9.447 1.00 0.00 C ATOM 548 C ALA A 30 -14.659 -13.829 -10.622 1.00 0.00 C ATOM 549 O ALA A 30 -15.876 -14.005 -10.661 1.00 0.00 O ATOM 550 CB ALA A 30 -14.068 -11.618 -9.611 1.00 0.00 C ATOM 0 H ALA A 30 -11.929 -12.887 -9.666 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.529 -13.392 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.110 -11.309 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.614 -11.136 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.531 -11.324 -10.513 1.00 0.00 H new ATOM 556 N LYS A 31 -13.827 -14.237 -11.573 1.00 0.00 N ATOM 557 CA LYS A 31 -14.285 -14.935 -12.756 1.00 0.00 C ATOM 558 C LYS A 31 -14.276 -16.443 -12.519 1.00 0.00 C ATOM 559 O LYS A 31 -15.007 -17.191 -13.167 1.00 0.00 O ATOM 560 CB LYS A 31 -13.377 -14.576 -13.929 1.00 0.00 C ATOM 561 CG LYS A 31 -13.731 -15.294 -15.217 1.00 0.00 C ATOM 562 CD LYS A 31 -12.974 -16.604 -15.349 1.00 0.00 C ATOM 563 CE LYS A 31 -12.969 -17.106 -16.784 1.00 0.00 C ATOM 564 NZ LYS A 31 -14.062 -18.087 -17.033 1.00 0.00 N ATOM 0 H LYS A 31 -12.818 -14.091 -11.541 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.308 -14.633 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.425 -13.500 -14.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.346 -14.811 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.803 -15.488 -15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.501 -14.652 -16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.948 -16.468 -15.007 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.429 -17.354 -14.702 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.077 -16.261 -17.464 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.007 -17.570 -17.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.024 -18.405 -18.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.945 -18.905 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.981 -17.637 -16.849 1.00 0.00 H new ATOM 578 N LEU A 32 -13.438 -16.879 -11.578 1.00 0.00 N ATOM 579 CA LEU A 32 -13.321 -18.294 -11.243 1.00 0.00 C ATOM 580 C LEU A 32 -14.225 -18.671 -10.068 1.00 0.00 C ATOM 581 O LEU A 32 -14.274 -19.834 -9.668 1.00 0.00 O ATOM 582 CB LEU A 32 -11.868 -18.631 -10.903 1.00 0.00 C ATOM 583 CG LEU A 32 -11.593 -20.109 -10.624 1.00 0.00 C ATOM 584 CD1 LEU A 32 -12.098 -20.973 -11.768 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.105 -20.337 -10.399 1.00 0.00 C ATOM 0 H LEU A 32 -12.829 -16.268 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.639 -18.869 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.234 -18.309 -11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.572 -18.051 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.128 -20.395 -9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.893 -22.021 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.172 -20.830 -11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.592 -20.688 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.925 -21.394 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.552 -20.034 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.771 -19.746 -9.546 1.00 0.00 H new ATOM 597 N HIS A 33 -14.940 -17.691 -9.517 1.00 0.00 N ATOM 598 CA HIS A 33 -15.835 -17.945 -8.389 1.00 0.00 C ATOM 599 C HIS A 33 -17.240 -17.403 -8.660 1.00 0.00 C ATOM 600 O HIS A 33 -17.705 -16.494 -7.969 1.00 0.00 O ATOM 601 CB HIS A 33 -15.263 -17.324 -7.108 1.00 0.00 C ATOM 602 CG HIS A 33 -14.017 -18.004 -6.635 1.00 0.00 C ATOM 603 ND1 HIS A 33 -13.946 -18.706 -5.451 1.00 0.00 N ATOM 604 CD2 HIS A 33 -12.791 -18.102 -7.203 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.731 -19.205 -5.311 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.011 -18.853 -6.359 1.00 0.00 N ATOM 0 H HIS A 33 -14.918 -16.721 -9.830 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.912 -19.024 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.050 -16.270 -7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.016 -17.369 -6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.484 -17.670 -8.144 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.385 -19.801 -4.479 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.034 -19.099 -6.517 1.00 0.00 H new ATOM 615 N PRO A 34 -17.942 -17.953 -9.670 1.00 0.00 N ATOM 616 CA PRO A 34 -19.293 -17.524 -10.022 1.00 0.00 C ATOM 617 C PRO A 34 -20.349 -18.147 -9.115 1.00 0.00 C ATOM 618 O PRO A 34 -21.367 -17.525 -8.811 1.00 0.00 O ATOM 619 CB PRO A 34 -19.472 -18.016 -11.469 1.00 0.00 C ATOM 620 CG PRO A 34 -18.202 -18.720 -11.836 1.00 0.00 C ATOM 621 CD PRO A 34 -17.490 -19.031 -10.551 1.00 0.00 C ATOM 0 HA PRO A 34 -19.416 -16.447 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.326 -18.689 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.662 -17.180 -12.143 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.413 -19.634 -12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.584 -18.092 -12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.762 -20.013 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.407 -19.026 -10.676 1.00 0.00 H new ATOM 629 N GLU A 35 -20.099 -19.382 -8.684 1.00 0.00 N ATOM 630 CA GLU A 35 -21.026 -20.089 -7.809 1.00 0.00 C ATOM 631 C GLU A 35 -20.549 -20.048 -6.362 1.00 0.00 C ATOM 632 O GLU A 35 -21.005 -20.823 -5.521 1.00 0.00 O ATOM 633 CB GLU A 35 -21.196 -21.539 -8.268 1.00 0.00 C ATOM 634 CG GLU A 35 -21.361 -21.686 -9.771 1.00 0.00 C ATOM 635 CD GLU A 35 -22.261 -22.847 -10.149 1.00 0.00 C ATOM 636 OE1 GLU A 35 -21.873 -24.005 -9.893 1.00 0.00 O ATOM 637 OE2 GLU A 35 -23.352 -22.596 -10.703 1.00 0.00 O ATOM 0 H GLU A 35 -19.262 -19.912 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.992 -19.587 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.329 -22.117 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.066 -21.969 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.774 -20.763 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.382 -21.827 -10.228 1.00 0.00 H new ATOM 644 N MET A 36 -19.635 -19.129 -6.081 1.00 0.00 N ATOM 645 CA MET A 36 -19.093 -18.963 -4.740 1.00 0.00 C ATOM 646 C MET A 36 -19.195 -17.504 -4.314 1.00 0.00 C ATOM 647 O MET A 36 -19.928 -16.722 -4.918 1.00 0.00 O ATOM 648 CB MET A 36 -17.633 -19.423 -4.688 1.00 0.00 C ATOM 649 CG MET A 36 -17.387 -20.760 -5.372 1.00 0.00 C ATOM 650 SD MET A 36 -16.378 -21.878 -4.375 1.00 0.00 S ATOM 651 CE MET A 36 -14.728 -21.349 -4.827 1.00 0.00 C ATOM 0 H MET A 36 -19.251 -18.483 -6.770 1.00 0.00 H new ATOM 0 HA MET A 36 -19.674 -19.578 -4.053 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.006 -18.665 -5.156 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.321 -19.495 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.344 -21.235 -5.587 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.894 -20.589 -6.329 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.054 -22.206 -4.811 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.745 -20.920 -5.829 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.379 -20.599 -4.117 1.00 0.00 H new ATOM 661 N SER A 37 -18.453 -17.138 -3.278 1.00 0.00 N ATOM 662 CA SER A 37 -18.462 -15.769 -2.786 1.00 0.00 C ATOM 663 C SER A 37 -17.041 -15.238 -2.656 1.00 0.00 C ATOM 664 O SER A 37 -16.089 -16.007 -2.523 1.00 0.00 O ATOM 665 CB SER A 37 -19.173 -15.693 -1.434 1.00 0.00 C ATOM 666 OG SER A 37 -18.961 -16.873 -0.679 1.00 0.00 O ATOM 0 H SER A 37 -17.839 -17.769 -2.763 1.00 0.00 H new ATOM 0 HA SER A 37 -19.002 -15.152 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.809 -14.830 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.242 -15.544 -1.589 1.00 0.00 H new ATOM 0 HG SER A 37 -19.424 -16.799 0.181 1.00 0.00 H new ATOM 672 N ASN A 38 -16.904 -13.917 -2.687 1.00 0.00 N ATOM 673 CA ASN A 38 -15.597 -13.280 -2.564 1.00 0.00 C ATOM 674 C ASN A 38 -14.893 -13.719 -1.283 1.00 0.00 C ATOM 675 O ASN A 38 -13.682 -13.567 -1.148 1.00 0.00 O ATOM 676 CB ASN A 38 -15.752 -11.762 -2.569 1.00 0.00 C ATOM 677 CG ASN A 38 -16.199 -11.229 -3.917 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.509 -11.393 -4.922 1.00 0.00 O ATOM 679 ND2 ASN A 38 -17.360 -10.585 -3.943 1.00 0.00 N ATOM 0 H ASN A 38 -17.682 -13.266 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 38 -14.990 -13.587 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.477 -11.471 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.802 -11.302 -2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.712 -10.203 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.900 -10.472 -3.085 1.00 0.00 H new ATOM 686 N LEU A 39 -15.661 -14.266 -0.350 1.00 0.00 N ATOM 687 CA LEU A 39 -15.108 -14.729 0.916 1.00 0.00 C ATOM 688 C LEU A 39 -14.419 -16.077 0.738 1.00 0.00 C ATOM 689 O LEU A 39 -13.326 -16.300 1.257 1.00 0.00 O ATOM 690 CB LEU A 39 -16.208 -14.835 1.977 1.00 0.00 C ATOM 691 CG LEU A 39 -16.155 -13.769 3.071 1.00 0.00 C ATOM 692 CD1 LEU A 39 -16.837 -12.491 2.607 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.798 -14.285 4.349 1.00 0.00 C ATOM 0 H LEU A 39 -16.668 -14.400 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.369 -14.001 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.177 -14.777 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.147 -15.818 2.445 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.109 -13.542 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.789 -11.744 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.332 -12.111 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.880 -12.701 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.751 -13.513 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.840 -14.541 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.265 -15.171 4.693 1.00 0.00 H new ATOM 705 N ASP A 40 -15.065 -16.969 -0.005 1.00 0.00 N ATOM 706 CA ASP A 40 -14.511 -18.293 -0.257 1.00 0.00 C ATOM 707 C ASP A 40 -13.169 -18.185 -0.968 1.00 0.00 C ATOM 708 O ASP A 40 -12.287 -19.023 -0.781 1.00 0.00 O ATOM 709 CB ASP A 40 -15.482 -19.126 -1.097 1.00 0.00 C ATOM 710 CG ASP A 40 -16.452 -19.919 -0.244 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.792 -19.448 0.861 1.00 0.00 O ATOM 712 OD2 ASP A 40 -16.873 -21.011 -0.681 1.00 0.00 O ATOM 0 H ASP A 40 -15.971 -16.799 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.359 -18.788 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.041 -18.467 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.916 -19.810 -1.730 1.00 0.00 H new ATOM 717 N LEU A 41 -13.020 -17.144 -1.780 1.00 0.00 N ATOM 718 CA LEU A 41 -11.786 -16.924 -2.513 1.00 0.00 C ATOM 719 C LEU A 41 -10.790 -16.127 -1.675 1.00 0.00 C ATOM 720 O LEU A 41 -9.577 -16.265 -1.841 1.00 0.00 O ATOM 721 CB LEU A 41 -12.067 -16.206 -3.834 1.00 0.00 C ATOM 722 CG LEU A 41 -13.068 -15.054 -3.773 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.344 -13.741 -3.521 1.00 0.00 C ATOM 724 CD2 LEU A 41 -13.870 -14.986 -5.065 1.00 0.00 C ATOM 0 H LEU A 41 -13.741 -16.441 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.345 -17.896 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.124 -15.821 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.432 -16.940 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.758 -15.230 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.069 -12.928 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.808 -13.797 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.636 -13.555 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.580 -14.161 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.194 -14.827 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.411 -15.921 -5.207 1.00 0.00 H new ATOM 736 N THR A 42 -11.303 -15.299 -0.768 1.00 0.00 N ATOM 737 CA THR A 42 -10.449 -14.492 0.099 1.00 0.00 C ATOM 738 C THR A 42 -9.523 -15.388 0.915 1.00 0.00 C ATOM 739 O THR A 42 -8.326 -15.124 1.024 1.00 0.00 O ATOM 740 CB THR A 42 -11.302 -13.620 1.030 1.00 0.00 C ATOM 741 OG1 THR A 42 -11.973 -12.612 0.296 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.503 -12.931 2.118 1.00 0.00 C ATOM 0 H THR A 42 -12.303 -15.170 -0.615 1.00 0.00 H new ATOM 0 HA THR A 42 -9.840 -13.839 -0.526 1.00 0.00 H new ATOM 0 HB THR A 42 -12.004 -14.309 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.898 -12.889 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.172 -12.333 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.009 -13.680 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.753 -12.284 1.664 1.00 0.00 H new ATOM 750 N LYS A 43 -10.083 -16.454 1.478 1.00 0.00 N ATOM 751 CA LYS A 43 -9.304 -17.397 2.272 1.00 0.00 C ATOM 752 C LYS A 43 -8.198 -18.007 1.415 1.00 0.00 C ATOM 753 O LYS A 43 -7.070 -18.192 1.874 1.00 0.00 O ATOM 754 CB LYS A 43 -10.227 -18.484 2.844 1.00 0.00 C ATOM 755 CG LYS A 43 -9.593 -19.866 2.947 1.00 0.00 C ATOM 756 CD LYS A 43 -9.906 -20.711 1.722 1.00 0.00 C ATOM 757 CE LYS A 43 -8.837 -21.764 1.482 1.00 0.00 C ATOM 758 NZ LYS A 43 -9.226 -22.714 0.403 1.00 0.00 N ATOM 0 H LYS A 43 -11.073 -16.686 1.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.837 -16.873 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.558 -18.176 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.117 -18.553 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.513 -19.766 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.958 -20.370 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.873 -21.196 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.987 -20.067 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.900 -21.276 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.658 -22.316 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.130 -23.690 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.213 -22.540 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.607 -22.576 -0.421 1.00 0.00 H new ATOM 772 N ILE A 44 -8.536 -18.311 0.168 1.00 0.00 N ATOM 773 CA ILE A 44 -7.585 -18.897 -0.768 1.00 0.00 C ATOM 774 C ILE A 44 -6.338 -18.027 -0.912 1.00 0.00 C ATOM 775 O ILE A 44 -5.215 -18.529 -0.933 1.00 0.00 O ATOM 776 CB ILE A 44 -8.221 -19.090 -2.163 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.488 -19.938 -2.056 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.228 -19.737 -3.119 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.189 -20.132 -3.381 1.00 0.00 C ATOM 0 H ILE A 44 -9.467 -18.160 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.301 -19.868 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.490 -18.110 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.231 -20.913 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.175 -19.465 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.694 -19.865 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.349 -19.100 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.929 -20.710 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.080 -20.742 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.476 -19.162 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.517 -20.632 -4.078 1.00 0.00 H new ATOM 791 N LEU A 45 -6.549 -16.720 -1.022 1.00 0.00 N ATOM 792 CA LEU A 45 -5.449 -15.775 -1.182 1.00 0.00 C ATOM 793 C LEU A 45 -4.822 -15.403 0.158 1.00 0.00 C ATOM 794 O LEU A 45 -3.684 -14.932 0.209 1.00 0.00 O ATOM 795 CB LEU A 45 -5.946 -14.522 -1.897 1.00 0.00 C ATOM 796 CG LEU A 45 -6.676 -14.791 -3.212 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.285 -13.511 -3.762 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.729 -15.415 -4.223 1.00 0.00 C ATOM 0 H LEU A 45 -7.474 -16.290 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.677 -16.257 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.615 -13.979 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.095 -13.870 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.487 -15.494 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.800 -13.726 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.996 -13.108 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.496 -12.780 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.263 -15.601 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.898 -14.735 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.346 -16.357 -3.830 1.00 0.00 H new ATOM 810 N SER A 46 -5.560 -15.617 1.244 1.00 0.00 N ATOM 811 CA SER A 46 -5.059 -15.299 2.576 1.00 0.00 C ATOM 812 C SER A 46 -4.230 -16.450 3.134 1.00 0.00 C ATOM 813 O SER A 46 -3.459 -16.274 4.076 1.00 0.00 O ATOM 814 CB SER A 46 -6.220 -14.986 3.521 1.00 0.00 C ATOM 815 OG SER A 46 -5.809 -14.118 4.563 1.00 0.00 O ATOM 0 H SER A 46 -6.502 -16.007 1.227 1.00 0.00 H new ATOM 0 HA SER A 46 -4.420 -14.420 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.035 -14.527 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.607 -15.912 3.946 1.00 0.00 H new ATOM 0 HG SER A 46 -5.776 -13.198 4.228 1.00 0.00 H new ATOM 821 N LYS A 47 -4.403 -17.627 2.551 1.00 0.00 N ATOM 822 CA LYS A 47 -3.685 -18.810 2.986 1.00 0.00 C ATOM 823 C LYS A 47 -2.496 -19.100 2.075 1.00 0.00 C ATOM 824 O LYS A 47 -1.424 -19.481 2.542 1.00 0.00 O ATOM 825 CB LYS A 47 -4.642 -19.997 2.998 1.00 0.00 C ATOM 826 CG LYS A 47 -3.989 -21.302 3.418 1.00 0.00 C ATOM 827 CD LYS A 47 -3.750 -22.215 2.227 1.00 0.00 C ATOM 828 CE LYS A 47 -2.462 -23.009 2.381 1.00 0.00 C ATOM 829 NZ LYS A 47 -2.366 -24.111 1.385 1.00 0.00 N ATOM 0 H LYS A 47 -5.040 -17.786 1.770 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.297 -18.637 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.468 -19.780 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.069 -20.118 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.041 -21.093 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.623 -21.810 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.590 -22.901 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.705 -21.620 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.608 -22.341 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.410 -23.424 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.474 -24.628 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.167 -24.763 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.390 -23.714 0.424 1.00 0.00 H new ATOM 843 N LYS A 48 -2.693 -18.919 0.774 1.00 0.00 N ATOM 844 CA LYS A 48 -1.634 -19.167 -0.200 1.00 0.00 C ATOM 845 C LYS A 48 -0.596 -18.047 -0.175 1.00 0.00 C ATOM 846 O LYS A 48 0.598 -18.291 -0.363 1.00 0.00 O ATOM 847 CB LYS A 48 -2.219 -19.311 -1.606 1.00 0.00 C ATOM 848 CG LYS A 48 -2.749 -18.010 -2.187 1.00 0.00 C ATOM 849 CD LYS A 48 -3.684 -18.262 -3.359 1.00 0.00 C ATOM 850 CE LYS A 48 -2.981 -18.996 -4.489 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.777 -18.973 -5.746 1.00 0.00 N ATOM 0 H LYS A 48 -3.574 -18.602 0.369 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.140 -20.100 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.451 -19.708 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.027 -20.042 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.277 -17.453 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.914 -17.390 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.541 -18.846 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.071 -17.312 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.007 -18.540 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.800 -20.029 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.026 -19.946 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.646 -18.422 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.216 -18.535 -6.504 1.00 0.00 H new ATOM 865 N TYR A 49 -1.053 -16.819 0.062 1.00 0.00 N ATOM 866 CA TYR A 49 -0.165 -15.672 0.113 1.00 0.00 C ATOM 867 C TYR A 49 1.001 -15.924 1.068 1.00 0.00 C ATOM 868 O TYR A 49 2.164 -15.731 0.708 1.00 0.00 O ATOM 869 CB TYR A 49 -0.946 -14.432 0.544 1.00 0.00 C ATOM 870 CG TYR A 49 -0.059 -13.253 0.837 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.796 -12.761 -0.130 1.00 0.00 C ATOM 872 CD2 TYR A 49 -0.067 -12.654 2.083 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.628 -11.691 0.133 1.00 0.00 C ATOM 874 CE2 TYR A 49 0.762 -11.586 2.361 1.00 0.00 C ATOM 875 CZ TYR A 49 1.609 -11.107 1.383 1.00 0.00 C ATOM 876 OH TYR A 49 2.438 -10.047 1.660 1.00 0.00 O ATOM 0 H TYR A 49 -2.036 -16.598 0.221 1.00 0.00 H new ATOM 0 HA TYR A 49 0.246 -15.508 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.652 -14.163 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.532 -14.669 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.814 -13.221 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.731 -13.027 2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.289 -11.314 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.748 -11.128 3.339 1.00 0.00 H new ATOM 0 HH TYR A 49 2.297 -9.755 2.585 1.00 0.00 H new ATOM 886 N LYS A 50 0.687 -16.362 2.284 1.00 0.00 N ATOM 887 CA LYS A 50 1.716 -16.643 3.277 1.00 0.00 C ATOM 888 C LYS A 50 2.507 -17.883 2.892 1.00 0.00 C ATOM 889 O LYS A 50 3.727 -17.929 3.051 1.00 0.00 O ATOM 890 CB LYS A 50 1.093 -16.828 4.658 1.00 0.00 C ATOM 891 CG LYS A 50 0.457 -15.564 5.200 1.00 0.00 C ATOM 892 CD LYS A 50 1.421 -14.798 6.095 1.00 0.00 C ATOM 893 CE LYS A 50 2.544 -14.157 5.293 1.00 0.00 C ATOM 894 NZ LYS A 50 2.022 -13.309 4.189 1.00 0.00 N ATOM 0 H LYS A 50 -0.267 -16.529 2.603 1.00 0.00 H new ATOM 0 HA LYS A 50 2.396 -15.792 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.339 -17.613 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.861 -17.168 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.144 -14.928 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.441 -15.819 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.877 -14.027 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.844 -15.475 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.163 -13.551 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.186 -14.935 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.783 -12.698 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.675 -13.916 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.242 -12.719 4.543 1.00 0.00 H new ATOM 908 N GLU A 51 1.802 -18.885 2.376 1.00 0.00 N ATOM 909 CA GLU A 51 2.435 -20.132 1.953 1.00 0.00 C ATOM 910 C GLU A 51 3.688 -19.843 1.129 1.00 0.00 C ATOM 911 O GLU A 51 4.652 -20.610 1.151 1.00 0.00 O ATOM 912 CB GLU A 51 1.456 -20.981 1.140 1.00 0.00 C ATOM 913 CG GLU A 51 0.834 -22.119 1.934 1.00 0.00 C ATOM 914 CD GLU A 51 1.874 -23.010 2.585 1.00 0.00 C ATOM 915 OE1 GLU A 51 2.990 -23.120 2.035 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.574 -23.599 3.645 1.00 0.00 O ATOM 0 H GLU A 51 0.791 -18.859 2.240 1.00 0.00 H new ATOM 0 HA GLU A 51 2.723 -20.689 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.662 -20.339 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.977 -21.394 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.181 -21.706 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.209 -22.719 1.273 1.00 0.00 H new ATOM 923 N LEU A 52 3.669 -18.717 0.416 1.00 0.00 N ATOM 924 CA LEU A 52 4.803 -18.304 -0.404 1.00 0.00 C ATOM 925 C LEU A 52 6.104 -18.394 0.386 1.00 0.00 C ATOM 926 O LEU A 52 6.173 -17.952 1.533 1.00 0.00 O ATOM 927 CB LEU A 52 4.605 -16.868 -0.894 1.00 0.00 C ATOM 928 CG LEU A 52 3.450 -16.665 -1.877 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.029 -15.202 -1.911 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.843 -17.141 -3.269 1.00 0.00 C ATOM 0 H LEU A 52 2.877 -18.074 0.391 1.00 0.00 H new ATOM 0 HA LEU A 52 4.863 -18.976 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.441 -16.226 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.527 -16.533 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 52 2.601 -17.259 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.207 -15.076 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.706 -14.893 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.873 -14.588 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.009 -16.989 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.707 -16.574 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.095 -18.201 -3.234 1.00 0.00 H new ATOM 942 N PRO A 53 7.159 -18.961 -0.219 1.00 0.00 N ATOM 943 CA PRO A 53 8.458 -19.090 0.439 1.00 0.00 C ATOM 944 C PRO A 53 9.177 -17.758 0.571 1.00 0.00 C ATOM 945 O PRO A 53 10.397 -17.711 0.726 1.00 0.00 O ATOM 946 CB PRO A 53 9.255 -19.999 -0.488 1.00 0.00 C ATOM 947 CG PRO A 53 8.592 -19.914 -1.821 1.00 0.00 C ATOM 948 CD PRO A 53 7.163 -19.508 -1.586 1.00 0.00 C ATOM 0 HA PRO A 53 8.346 -19.474 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.295 -19.678 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.259 -21.025 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.098 -19.187 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.639 -20.874 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.836 -18.764 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.488 -20.359 -1.676 1.00 0.00 H new ATOM 956 N GLU A 54 8.413 -16.681 0.485 1.00 0.00 N ATOM 957 CA GLU A 54 8.950 -15.337 0.570 1.00 0.00 C ATOM 958 C GLU A 54 9.636 -14.928 -0.732 1.00 0.00 C ATOM 959 O GLU A 54 10.003 -13.768 -0.915 1.00 0.00 O ATOM 960 CB GLU A 54 9.926 -15.214 1.731 1.00 0.00 C ATOM 961 CG GLU A 54 10.280 -13.779 2.010 1.00 0.00 C ATOM 962 CD GLU A 54 11.325 -13.625 3.099 1.00 0.00 C ATOM 963 OE1 GLU A 54 12.504 -13.946 2.841 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.963 -13.181 4.208 1.00 0.00 O ATOM 0 H GLU A 54 7.402 -16.717 0.354 1.00 0.00 H new ATOM 0 HA GLU A 54 8.111 -14.663 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.488 -15.661 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.833 -15.775 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.648 -13.317 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.379 -13.238 2.300 1.00 0.00 H new ATOM 971 N LYS A 55 9.802 -15.886 -1.635 1.00 0.00 N ATOM 972 CA LYS A 55 10.444 -15.620 -2.920 1.00 0.00 C ATOM 973 C LYS A 55 9.534 -14.792 -3.824 1.00 0.00 C ATOM 974 O LYS A 55 10.003 -13.961 -4.602 1.00 0.00 O ATOM 975 CB LYS A 55 10.824 -16.934 -3.614 1.00 0.00 C ATOM 976 CG LYS A 55 9.648 -17.663 -4.248 1.00 0.00 C ATOM 977 CD LYS A 55 9.455 -17.255 -5.700 1.00 0.00 C ATOM 978 CE LYS A 55 8.560 -18.234 -6.442 1.00 0.00 C ATOM 979 NZ LYS A 55 9.220 -19.555 -6.635 1.00 0.00 N ATOM 0 H LYS A 55 9.503 -16.852 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 55 11.352 -15.048 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.566 -16.724 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.297 -17.593 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.812 -18.739 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.740 -17.448 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.018 -16.257 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.425 -17.200 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.632 -18.370 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.292 -17.817 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.740 -20.075 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.218 -19.411 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.163 -20.104 -5.753 1.00 0.00 H new ATOM 993 N LYS A 56 8.231 -15.028 -3.716 1.00 0.00 N ATOM 994 CA LYS A 56 7.253 -14.307 -4.524 1.00 0.00 C ATOM 995 C LYS A 56 6.911 -12.960 -3.895 1.00 0.00 C ATOM 996 O LYS A 56 6.556 -12.010 -4.591 1.00 0.00 O ATOM 997 CB LYS A 56 5.982 -15.142 -4.683 1.00 0.00 C ATOM 998 CG LYS A 56 6.177 -16.397 -5.516 1.00 0.00 C ATOM 999 CD LYS A 56 4.954 -16.696 -6.367 1.00 0.00 C ATOM 1000 CE LYS A 56 4.649 -18.184 -6.403 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.184 -18.451 -6.390 1.00 0.00 N ATOM 0 H LYS A 56 7.827 -15.713 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 56 7.692 -14.128 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.618 -15.425 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.209 -14.527 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.049 -16.276 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.380 -17.243 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.093 -16.157 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.118 -16.333 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.090 -18.623 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.114 -18.671 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.982 -19.307 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.865 -18.590 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.680 -17.642 -6.807 1.00 0.00 H new ATOM 1015 N LYS A 57 7.024 -12.887 -2.574 1.00 0.00 N ATOM 1016 CA LYS A 57 6.728 -11.660 -1.848 1.00 0.00 C ATOM 1017 C LYS A 57 7.823 -10.629 -2.074 1.00 0.00 C ATOM 1018 O LYS A 57 7.549 -9.439 -2.229 1.00 0.00 O ATOM 1019 CB LYS A 57 6.578 -11.953 -0.357 1.00 0.00 C ATOM 1020 CG LYS A 57 5.530 -13.009 -0.064 1.00 0.00 C ATOM 1021 CD LYS A 57 5.871 -13.808 1.185 1.00 0.00 C ATOM 1022 CE LYS A 57 4.679 -13.924 2.119 1.00 0.00 C ATOM 1023 NZ LYS A 57 5.093 -13.944 3.551 1.00 0.00 N ATOM 0 H LYS A 57 7.319 -13.665 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 57 5.789 -11.254 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.538 -12.281 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.314 -11.033 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.558 -12.532 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.445 -13.684 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.208 -14.804 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.699 -13.330 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.002 -13.087 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.125 -14.834 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.840 -14.860 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.122 -13.805 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.607 -13.181 4.064 1.00 0.00 H new ATOM 1037 N MET A 58 9.066 -11.099 -2.112 1.00 0.00 N ATOM 1038 CA MET A 58 10.211 -10.224 -2.338 1.00 0.00 C ATOM 1039 C MET A 58 9.942 -9.285 -3.513 1.00 0.00 C ATOM 1040 O MET A 58 10.468 -8.176 -3.574 1.00 0.00 O ATOM 1041 CB MET A 58 11.461 -11.059 -2.615 1.00 0.00 C ATOM 1042 CG MET A 58 12.195 -11.490 -1.354 1.00 0.00 C ATOM 1043 SD MET A 58 13.954 -11.091 -1.401 1.00 0.00 S ATOM 1044 CE MET A 58 14.420 -11.794 -2.980 1.00 0.00 C ATOM 0 H MET A 58 9.306 -12.083 -1.989 1.00 0.00 H new ATOM 0 HA MET A 58 10.372 -9.625 -1.442 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.178 -11.946 -3.182 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.141 -10.483 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.740 -11.006 -0.490 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.074 -12.565 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.456 -12.132 -2.937 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.772 -12.640 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.317 -11.039 -3.759 1.00 0.00 H new ATOM 1054 N LYS A 59 9.103 -9.747 -4.434 1.00 0.00 N ATOM 1055 CA LYS A 59 8.736 -8.965 -5.605 1.00 0.00 C ATOM 1056 C LYS A 59 7.611 -7.995 -5.259 1.00 0.00 C ATOM 1057 O LYS A 59 7.662 -6.814 -5.600 1.00 0.00 O ATOM 1058 CB LYS A 59 8.314 -9.905 -6.745 1.00 0.00 C ATOM 1059 CG LYS A 59 6.845 -9.806 -7.142 1.00 0.00 C ATOM 1060 CD LYS A 59 6.493 -10.813 -8.224 1.00 0.00 C ATOM 1061 CE LYS A 59 7.294 -10.572 -9.493 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.966 -11.565 -10.554 1.00 0.00 N ATOM 0 H LYS A 59 8.663 -10.666 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 59 9.597 -8.383 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.928 -9.691 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.528 -10.932 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.218 -9.976 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.630 -8.798 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.683 -11.822 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.428 -10.751 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.094 -9.566 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.359 -10.622 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.533 -11.366 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.180 -12.523 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.955 -11.500 -10.790 1.00 0.00 H new ATOM 1076 N TYR A 60 6.596 -8.514 -4.578 1.00 0.00 N ATOM 1077 CA TYR A 60 5.448 -7.711 -4.178 1.00 0.00 C ATOM 1078 C TYR A 60 5.860 -6.599 -3.225 1.00 0.00 C ATOM 1079 O TYR A 60 5.535 -5.433 -3.446 1.00 0.00 O ATOM 1080 CB TYR A 60 4.394 -8.594 -3.523 1.00 0.00 C ATOM 1081 CG TYR A 60 4.021 -9.795 -4.359 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.824 -9.672 -5.727 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.872 -11.047 -3.783 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.489 -10.765 -6.500 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.536 -12.146 -4.546 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.348 -12.002 -5.905 1.00 0.00 C ATOM 1087 OH TYR A 60 3.013 -13.095 -6.671 1.00 0.00 O ATOM 0 H TYR A 60 6.545 -9.491 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 60 5.028 -7.253 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.764 -8.934 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.500 -8.001 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.935 -8.705 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.021 -11.164 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.338 -10.653 -7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.421 -13.114 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 60 3.396 -13.904 -6.272 1.00 0.00 H new ATOM 1097 N ILE A 61 6.589 -6.954 -2.169 1.00 0.00 N ATOM 1098 CA ILE A 61 7.043 -5.958 -1.208 1.00 0.00 C ATOM 1099 C ILE A 61 7.939 -4.944 -1.908 1.00 0.00 C ATOM 1100 O ILE A 61 7.970 -3.767 -1.544 1.00 0.00 O ATOM 1101 CB ILE A 61 7.802 -6.583 -0.015 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.843 -7.365 0.887 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.501 -5.498 0.793 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.231 -8.583 0.230 1.00 0.00 C ATOM 0 H ILE A 61 6.874 -7.911 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 61 6.155 -5.469 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 61 8.549 -7.271 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.379 -7.679 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.043 -6.700 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.031 -5.952 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.211 -4.971 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.761 -4.793 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.565 -9.081 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.665 -8.276 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.022 -9.271 -0.069 1.00 0.00 H new ATOM 1116 N GLN A 62 8.645 -5.404 -2.935 1.00 0.00 N ATOM 1117 CA GLN A 62 9.514 -4.537 -3.710 1.00 0.00 C ATOM 1118 C GLN A 62 8.663 -3.609 -4.561 1.00 0.00 C ATOM 1119 O GLN A 62 9.094 -2.520 -4.939 1.00 0.00 O ATOM 1120 CB GLN A 62 10.444 -5.364 -4.599 1.00 0.00 C ATOM 1121 CG GLN A 62 11.762 -5.723 -3.936 1.00 0.00 C ATOM 1122 CD GLN A 62 12.643 -6.585 -4.819 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.174 -7.605 -4.380 1.00 0.00 O ATOM 1124 NE2 GLN A 62 12.803 -6.178 -6.073 1.00 0.00 N ATOM 0 H GLN A 62 8.630 -6.375 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 62 10.130 -3.947 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.932 -6.281 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.647 -4.808 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.296 -4.808 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.563 -6.250 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.344 -5.326 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.385 -6.717 -6.714 1.00 0.00 H new ATOM 1133 N ASP A 63 7.437 -4.047 -4.840 1.00 0.00 N ATOM 1134 CA ASP A 63 6.504 -3.256 -5.623 1.00 0.00 C ATOM 1135 C ASP A 63 5.716 -2.338 -4.700 1.00 0.00 C ATOM 1136 O ASP A 63 5.351 -1.223 -5.071 1.00 0.00 O ATOM 1137 CB ASP A 63 5.554 -4.166 -6.405 1.00 0.00 C ATOM 1138 CG ASP A 63 5.239 -3.623 -7.786 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.117 -3.707 -8.670 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.116 -3.115 -7.982 1.00 0.00 O ATOM 0 H ASP A 63 7.071 -4.948 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 63 7.063 -2.652 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.000 -5.156 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.627 -4.286 -5.845 1.00 0.00 H new ATOM 1145 N PHE A 64 5.476 -2.821 -3.485 1.00 0.00 N ATOM 1146 CA PHE A 64 4.751 -2.058 -2.482 1.00 0.00 C ATOM 1147 C PHE A 64 5.647 -0.963 -1.908 1.00 0.00 C ATOM 1148 O PHE A 64 5.180 0.124 -1.566 1.00 0.00 O ATOM 1149 CB PHE A 64 4.266 -3.004 -1.370 1.00 0.00 C ATOM 1150 CG PHE A 64 4.424 -2.460 0.022 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.451 -1.645 0.576 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.547 -2.764 0.771 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.594 -1.144 1.856 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.698 -2.266 2.052 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.719 -1.455 2.595 1.00 0.00 C ATOM 0 H PHE A 64 5.777 -3.744 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 64 3.885 -1.583 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.214 -3.235 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.814 -3.943 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.571 -1.398 0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.314 -3.397 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.828 -0.511 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.579 -2.510 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.833 -1.065 3.596 1.00 0.00 H new ATOM 1165 N GLN A 65 6.937 -1.267 -1.802 1.00 0.00 N ATOM 1166 CA GLN A 65 7.908 -0.322 -1.268 1.00 0.00 C ATOM 1167 C GLN A 65 8.204 0.791 -2.269 1.00 0.00 C ATOM 1168 O GLN A 65 8.102 1.974 -1.944 1.00 0.00 O ATOM 1169 CB GLN A 65 9.202 -1.050 -0.897 1.00 0.00 C ATOM 1170 CG GLN A 65 9.102 -1.847 0.393 1.00 0.00 C ATOM 1171 CD GLN A 65 10.040 -1.339 1.470 1.00 0.00 C ATOM 1172 OE1 GLN A 65 10.115 -0.138 1.729 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.763 -2.254 2.105 1.00 0.00 N ATOM 0 H GLN A 65 7.334 -2.164 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 65 7.481 0.131 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.477 -1.723 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.006 -0.320 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.077 -1.807 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.326 -2.894 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.669 -3.239 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.412 -1.972 2.839 1.00 0.00 H new ATOM 1182 N ARG A 66 8.576 0.405 -3.487 1.00 0.00 N ATOM 1183 CA ARG A 66 8.890 1.374 -4.530 1.00 0.00 C ATOM 1184 C ARG A 66 7.704 2.296 -4.805 1.00 0.00 C ATOM 1185 O ARG A 66 7.878 3.418 -5.281 1.00 0.00 O ATOM 1186 CB ARG A 66 9.307 0.656 -5.817 1.00 0.00 C ATOM 1187 CG ARG A 66 8.164 -0.065 -6.519 1.00 0.00 C ATOM 1188 CD ARG A 66 8.066 0.334 -7.984 1.00 0.00 C ATOM 1189 NE ARG A 66 6.685 0.578 -8.392 1.00 0.00 N ATOM 1190 CZ ARG A 66 6.274 0.580 -9.658 1.00 0.00 C ATOM 1191 NH1 ARG A 66 7.135 0.356 -10.642 1.00 0.00 N ATOM 1192 NH2 ARG A 66 4.999 0.809 -9.940 1.00 0.00 N ATOM 0 H ARG A 66 8.667 -0.570 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 66 9.721 1.986 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.741 1.383 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.089 -0.066 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.312 -1.142 -6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.225 0.164 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.659 1.232 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.494 -0.454 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 66 5.994 0.758 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.117 0.181 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.815 0.359 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.334 0.984 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.684 0.811 -10.910 1.00 0.00 H new ATOM 1206 N GLU A 67 6.499 1.819 -4.506 1.00 0.00 N ATOM 1207 CA GLU A 67 5.292 2.605 -4.726 1.00 0.00 C ATOM 1208 C GLU A 67 5.092 3.625 -3.609 1.00 0.00 C ATOM 1209 O GLU A 67 4.581 4.721 -3.840 1.00 0.00 O ATOM 1210 CB GLU A 67 4.072 1.688 -4.820 1.00 0.00 C ATOM 1211 CG GLU A 67 3.790 1.197 -6.231 1.00 0.00 C ATOM 1212 CD GLU A 67 2.333 1.355 -6.623 1.00 0.00 C ATOM 1213 OE1 GLU A 67 1.460 0.876 -5.870 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.066 1.957 -7.685 1.00 0.00 O ATOM 0 H GLU A 67 6.334 0.893 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 67 5.407 3.144 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.223 0.828 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.197 2.221 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.414 1.748 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.072 0.147 -6.310 1.00 0.00 H new ATOM 1221 N LYS A 68 5.497 3.257 -2.397 1.00 0.00 N ATOM 1222 CA LYS A 68 5.362 4.141 -1.243 1.00 0.00 C ATOM 1223 C LYS A 68 6.431 5.230 -1.246 1.00 0.00 C ATOM 1224 O LYS A 68 6.344 6.196 -0.488 1.00 0.00 O ATOM 1225 CB LYS A 68 5.436 3.334 0.054 1.00 0.00 C ATOM 1226 CG LYS A 68 4.110 3.246 0.790 1.00 0.00 C ATOM 1227 CD LYS A 68 4.307 2.904 2.258 1.00 0.00 C ATOM 1228 CE LYS A 68 3.003 3.007 3.034 1.00 0.00 C ATOM 1229 NZ LYS A 68 2.710 1.761 3.794 1.00 0.00 N ATOM 0 H LYS A 68 5.921 2.353 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 68 4.388 4.627 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.783 2.326 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.178 3.786 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.582 4.196 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.482 2.489 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.706 1.893 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.045 3.577 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.057 3.849 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.185 3.212 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.168 1.996 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.154 1.114 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.603 1.301 4.065 1.00 0.00 H new ATOM 1243 N GLN A 69 7.441 5.067 -2.093 1.00 0.00 N ATOM 1244 CA GLN A 69 8.523 6.035 -2.181 1.00 0.00 C ATOM 1245 C GLN A 69 8.333 6.968 -3.373 1.00 0.00 C ATOM 1246 O GLN A 69 8.777 8.116 -3.351 1.00 0.00 O ATOM 1247 CB GLN A 69 9.862 5.308 -2.290 1.00 0.00 C ATOM 1248 CG GLN A 69 11.022 6.072 -1.677 1.00 0.00 C ATOM 1249 CD GLN A 69 11.389 5.564 -0.297 1.00 0.00 C ATOM 1250 OE1 GLN A 69 10.696 5.839 0.684 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.485 4.820 -0.212 1.00 0.00 N ATOM 0 H GLN A 69 7.531 4.273 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 69 8.514 6.641 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.779 4.337 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.078 5.119 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.890 5.994 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.764 7.129 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.030 4.617 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.783 4.452 0.691 1.00 0.00 H new ATOM 1260 N GLU A 70 7.673 6.468 -4.413 1.00 0.00 N ATOM 1261 CA GLU A 70 7.428 7.259 -5.614 1.00 0.00 C ATOM 1262 C GLU A 70 6.171 8.111 -5.462 1.00 0.00 C ATOM 1263 O GLU A 70 6.064 9.189 -6.048 1.00 0.00 O ATOM 1264 CB GLU A 70 7.294 6.346 -6.833 1.00 0.00 C ATOM 1265 CG GLU A 70 8.627 5.959 -7.451 1.00 0.00 C ATOM 1266 CD GLU A 70 8.467 5.189 -8.749 1.00 0.00 C ATOM 1267 OE1 GLU A 70 7.582 5.556 -9.551 1.00 0.00 O ATOM 1268 OE2 GLU A 70 9.227 4.222 -8.962 1.00 0.00 O ATOM 0 H GLU A 70 7.299 5.520 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 70 8.279 7.924 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.761 5.441 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.685 6.846 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.212 6.860 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.190 5.354 -6.741 1.00 0.00 H new ATOM 1275 N PHE A 71 5.219 7.620 -4.674 1.00 0.00 N ATOM 1276 CA PHE A 71 3.967 8.337 -4.447 1.00 0.00 C ATOM 1277 C PHE A 71 4.227 9.723 -3.862 1.00 0.00 C ATOM 1278 O PHE A 71 3.529 10.683 -4.185 1.00 0.00 O ATOM 1279 CB PHE A 71 3.057 7.535 -3.512 1.00 0.00 C ATOM 1280 CG PHE A 71 1.749 7.145 -4.140 1.00 0.00 C ATOM 1281 CD1 PHE A 71 0.891 8.110 -4.638 1.00 0.00 C ATOM 1282 CD2 PHE A 71 1.380 5.812 -4.230 1.00 0.00 C ATOM 1283 CE1 PHE A 71 -0.313 7.755 -5.217 1.00 0.00 C ATOM 1284 CE2 PHE A 71 0.177 5.452 -4.807 1.00 0.00 C ATOM 1285 CZ PHE A 71 -0.670 6.424 -5.301 1.00 0.00 C ATOM 0 H PHE A 71 5.290 6.729 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 71 3.470 8.460 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.581 6.634 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.860 8.124 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.165 9.153 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.039 5.047 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.973 8.518 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.101 4.410 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.610 6.144 -5.752 1.00 0.00 H new ATOM 1295 N GLU A 72 5.232 9.818 -2.999 1.00 0.00 N ATOM 1296 CA GLU A 72 5.581 11.087 -2.366 1.00 0.00 C ATOM 1297 C GLU A 72 6.780 11.745 -3.052 1.00 0.00 C ATOM 1298 O GLU A 72 7.223 12.818 -2.642 1.00 0.00 O ATOM 1299 CB GLU A 72 5.888 10.867 -0.884 1.00 0.00 C ATOM 1300 CG GLU A 72 5.399 11.991 0.014 1.00 0.00 C ATOM 1301 CD GLU A 72 6.282 12.191 1.230 1.00 0.00 C ATOM 1302 OE1 GLU A 72 7.318 12.877 1.105 1.00 0.00 O ATOM 1303 OE2 GLU A 72 5.939 11.659 2.308 1.00 0.00 O ATOM 0 H GLU A 72 5.820 9.032 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 72 4.726 11.756 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.430 9.931 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.965 10.755 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.360 12.918 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.382 11.774 0.340 1.00 0.00 H new ATOM 1310 N ARG A 73 7.308 11.097 -4.087 1.00 0.00 N ATOM 1311 CA ARG A 73 8.461 11.623 -4.811 1.00 0.00 C ATOM 1312 C ARG A 73 8.062 12.744 -5.768 1.00 0.00 C ATOM 1313 O ARG A 73 8.681 13.808 -5.780 1.00 0.00 O ATOM 1314 CB ARG A 73 9.151 10.500 -5.588 1.00 0.00 C ATOM 1315 CG ARG A 73 10.593 10.811 -5.959 1.00 0.00 C ATOM 1316 CD ARG A 73 10.921 10.346 -7.368 1.00 0.00 C ATOM 1317 NE ARG A 73 12.284 9.828 -7.470 1.00 0.00 N ATOM 1318 CZ ARG A 73 12.643 8.604 -7.086 1.00 0.00 C ATOM 1319 NH1 ARG A 73 11.745 7.771 -6.575 1.00 0.00 N ATOM 1320 NH2 ARG A 73 13.905 8.214 -7.214 1.00 0.00 N ATOM 0 H ARG A 73 6.956 10.208 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 73 9.152 12.037 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.127 9.589 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.586 10.299 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.766 11.884 -5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.264 10.327 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.215 9.571 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.796 11.177 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 73 13.002 10.440 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.774 8.067 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.026 6.835 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.598 8.851 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.182 7.277 -6.920 1.00 0.00 H new ATOM 1334 N ASN A 74 7.038 12.496 -6.579 1.00 0.00 N ATOM 1335 CA ASN A 74 6.577 13.488 -7.548 1.00 0.00 C ATOM 1336 C ASN A 74 5.374 14.269 -7.027 1.00 0.00 C ATOM 1337 O ASN A 74 5.430 15.490 -6.888 1.00 0.00 O ATOM 1338 CB ASN A 74 6.221 12.807 -8.869 1.00 0.00 C ATOM 1339 CG ASN A 74 7.436 12.582 -9.748 1.00 0.00 C ATOM 1340 OD1 ASN A 74 8.524 12.283 -9.257 1.00 0.00 O ATOM 1341 ND2 ASN A 74 7.256 12.722 -11.055 1.00 0.00 N ATOM 0 H ASN A 74 6.513 11.621 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 74 7.391 14.195 -7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.742 11.850 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.495 13.418 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.037 12.581 -11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.336 12.971 -11.419 1.00 0.00 H new ATOM 1348 N LEU A 75 4.282 13.561 -6.752 1.00 0.00 N ATOM 1349 CA LEU A 75 3.056 14.192 -6.258 1.00 0.00 C ATOM 1350 C LEU A 75 3.350 15.199 -5.149 1.00 0.00 C ATOM 1351 O LEU A 75 2.624 16.180 -4.980 1.00 0.00 O ATOM 1352 CB LEU A 75 2.081 13.128 -5.749 1.00 0.00 C ATOM 1353 CG LEU A 75 1.083 12.613 -6.791 1.00 0.00 C ATOM 1354 CD1 LEU A 75 1.589 11.325 -7.421 1.00 0.00 C ATOM 1355 CD2 LEU A 75 -0.284 12.397 -6.158 1.00 0.00 C ATOM 0 H LEU A 75 4.218 12.549 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 75 2.603 14.730 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.655 12.283 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.524 13.540 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 75 0.984 13.364 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.868 10.973 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.546 11.510 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.716 10.567 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.981 12.031 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.201 11.665 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.650 13.340 -5.753 1.00 0.00 H new ATOM 1367 N ALA A 76 4.415 14.953 -4.393 1.00 0.00 N ATOM 1368 CA ALA A 76 4.797 15.841 -3.301 1.00 0.00 C ATOM 1369 C ALA A 76 5.682 16.981 -3.798 1.00 0.00 C ATOM 1370 O ALA A 76 5.391 18.153 -3.565 1.00 0.00 O ATOM 1371 CB ALA A 76 5.505 15.056 -2.208 1.00 0.00 C ATOM 0 H ALA A 76 5.028 14.147 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 76 3.888 16.280 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.785 15.730 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.838 14.285 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.401 14.589 -2.617 1.00 0.00 H new ATOM 1377 N ARG A 77 6.764 16.627 -4.485 1.00 0.00 N ATOM 1378 CA ARG A 77 7.693 17.620 -5.016 1.00 0.00 C ATOM 1379 C ARG A 77 7.049 18.455 -6.119 1.00 0.00 C ATOM 1380 O ARG A 77 7.588 19.486 -6.524 1.00 0.00 O ATOM 1381 CB ARG A 77 8.950 16.931 -5.552 1.00 0.00 C ATOM 1382 CG ARG A 77 10.052 17.900 -5.948 1.00 0.00 C ATOM 1383 CD ARG A 77 10.554 17.631 -7.358 1.00 0.00 C ATOM 1384 NE ARG A 77 11.666 16.684 -7.373 1.00 0.00 N ATOM 1385 CZ ARG A 77 12.057 16.016 -8.455 1.00 0.00 C ATOM 1386 NH1 ARG A 77 11.430 16.187 -9.613 1.00 0.00 N ATOM 1387 NH2 ARG A 77 13.080 15.175 -8.382 1.00 0.00 N ATOM 0 H ARG A 77 7.019 15.660 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 77 7.965 18.290 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.333 16.249 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.681 16.326 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.679 18.922 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.880 17.817 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.737 17.240 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.870 18.569 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 77 12.173 16.525 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.644 16.834 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.735 15.672 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.567 15.040 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.379 14.663 -9.212 1.00 0.00 H new ATOM 1401 N PHE A 78 5.896 18.005 -6.612 1.00 0.00 N ATOM 1402 CA PHE A 78 5.188 18.711 -7.674 1.00 0.00 C ATOM 1403 C PHE A 78 4.904 20.161 -7.288 1.00 0.00 C ATOM 1404 O PHE A 78 5.074 21.069 -8.101 1.00 0.00 O ATOM 1405 CB PHE A 78 3.877 17.995 -8.001 1.00 0.00 C ATOM 1406 CG PHE A 78 3.257 18.440 -9.296 1.00 0.00 C ATOM 1407 CD1 PHE A 78 3.577 17.806 -10.485 1.00 0.00 C ATOM 1408 CD2 PHE A 78 2.354 19.492 -9.322 1.00 0.00 C ATOM 1409 CE1 PHE A 78 3.007 18.214 -11.678 1.00 0.00 C ATOM 1410 CE2 PHE A 78 1.783 19.903 -10.510 1.00 0.00 C ATOM 1411 CZ PHE A 78 2.109 19.263 -11.691 1.00 0.00 C ATOM 0 H PHE A 78 5.434 17.154 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 78 5.829 18.714 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.060 16.921 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.168 18.165 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.279 16.985 -10.481 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.094 19.996 -8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.264 17.712 -12.599 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.082 20.724 -10.517 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.663 19.582 -12.621 1.00 0.00 H new ATOM 1421 N ARG A 79 4.466 20.372 -6.052 1.00 0.00 N ATOM 1422 CA ARG A 79 4.153 21.717 -5.579 1.00 0.00 C ATOM 1423 C ARG A 79 5.294 22.291 -4.730 1.00 0.00 C ATOM 1424 O ARG A 79 6.288 22.778 -5.271 1.00 0.00 O ATOM 1425 CB ARG A 79 2.839 21.709 -4.790 1.00 0.00 C ATOM 1426 CG ARG A 79 1.601 21.726 -5.671 1.00 0.00 C ATOM 1427 CD ARG A 79 1.250 23.138 -6.111 1.00 0.00 C ATOM 1428 NE ARG A 79 0.272 23.147 -7.195 1.00 0.00 N ATOM 1429 CZ ARG A 79 -0.423 24.223 -7.557 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -0.250 25.377 -6.925 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -1.295 24.144 -8.553 1.00 0.00 N ATOM 0 H ARG A 79 4.320 19.635 -5.362 1.00 0.00 H new ATOM 0 HA ARG A 79 4.035 22.363 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.811 20.823 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.816 22.575 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.769 21.101 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.761 21.293 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.854 23.694 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.155 23.652 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 79 0.112 22.278 -7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.418 25.443 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.785 26.198 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.433 23.259 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.828 24.968 -8.831 1.00 0.00 H new ATOM 1445 N GLU A 80 5.149 22.242 -3.405 1.00 0.00 N ATOM 1446 CA GLU A 80 6.173 22.768 -2.508 1.00 0.00 C ATOM 1447 C GLU A 80 7.044 21.651 -1.943 1.00 0.00 C ATOM 1448 O GLU A 80 8.233 21.561 -2.252 1.00 0.00 O ATOM 1449 CB GLU A 80 5.522 23.549 -1.364 1.00 0.00 C ATOM 1450 CG GLU A 80 6.342 24.740 -0.898 1.00 0.00 C ATOM 1451 CD GLU A 80 5.889 26.043 -1.529 1.00 0.00 C ATOM 1452 OE1 GLU A 80 4.697 26.388 -1.389 1.00 0.00 O ATOM 1453 OE2 GLU A 80 6.727 26.717 -2.163 1.00 0.00 O ATOM 0 H GLU A 80 4.336 21.845 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 80 6.811 23.437 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.540 23.897 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.361 22.877 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.272 24.822 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.392 24.570 -1.138 1.00 0.00 H new ATOM 1460 N ASP A 81 6.446 20.804 -1.107 1.00 0.00 N ATOM 1461 CA ASP A 81 7.166 19.693 -0.488 1.00 0.00 C ATOM 1462 C ASP A 81 8.079 20.192 0.627 1.00 0.00 C ATOM 1463 O ASP A 81 9.278 20.379 0.424 1.00 0.00 O ATOM 1464 CB ASP A 81 7.983 18.928 -1.532 1.00 0.00 C ATOM 1465 CG ASP A 81 8.369 17.540 -1.061 1.00 0.00 C ATOM 1466 OD1 ASP A 81 7.714 17.026 -0.131 1.00 0.00 O ATOM 1467 OD2 ASP A 81 9.326 16.967 -1.624 1.00 0.00 O ATOM 0 H ASP A 81 5.463 20.866 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 81 6.429 19.016 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.406 18.849 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.885 19.492 -1.768 1.00 0.00 H new ATOM 1472 N HIS A 82 7.501 20.406 1.804 1.00 0.00 N ATOM 1473 CA HIS A 82 8.259 20.884 2.956 1.00 0.00 C ATOM 1474 C HIS A 82 7.688 20.321 4.254 1.00 0.00 C ATOM 1475 O HIS A 82 6.543 19.873 4.295 1.00 0.00 O ATOM 1476 CB HIS A 82 8.246 22.412 3.000 1.00 0.00 C ATOM 1477 CG HIS A 82 9.364 23.045 2.230 1.00 0.00 C ATOM 1478 ND1 HIS A 82 10.694 22.864 2.548 1.00 0.00 N ATOM 1479 CD2 HIS A 82 9.344 23.862 1.150 1.00 0.00 C ATOM 1480 CE1 HIS A 82 11.443 23.543 1.698 1.00 0.00 C ATOM 1481 NE2 HIS A 82 10.649 24.157 0.840 1.00 0.00 N ATOM 0 H HIS A 82 6.509 20.256 1.986 1.00 0.00 H new ATOM 0 HA HIS A 82 9.288 20.538 2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 82 7.296 22.770 2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.302 22.737 4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.466 24.215 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.522 23.588 1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 82 10.955 24.754 0.072 1.00 0.00 H new ATOM 1490 N PRO A 83 8.485 20.337 5.337 1.00 0.00 N ATOM 1491 CA PRO A 83 8.053 19.824 6.643 1.00 0.00 C ATOM 1492 C PRO A 83 6.727 20.429 7.093 1.00 0.00 C ATOM 1493 O PRO A 83 6.477 21.618 6.897 1.00 0.00 O ATOM 1494 CB PRO A 83 9.181 20.252 7.584 1.00 0.00 C ATOM 1495 CG PRO A 83 10.377 20.382 6.708 1.00 0.00 C ATOM 1496 CD PRO A 83 9.866 20.853 5.375 1.00 0.00 C ATOM 0 HA PRO A 83 7.883 18.748 6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.948 21.195 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.344 19.513 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.091 21.092 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.896 19.428 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.891 21.940 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.465 20.460 4.553 1.00 0.00 H new ATOM 1504 N ASP A 84 5.879 19.601 7.696 1.00 0.00 N ATOM 1505 CA ASP A 84 4.577 20.054 8.175 1.00 0.00 C ATOM 1506 C ASP A 84 4.013 19.091 9.216 1.00 0.00 C ATOM 1507 O ASP A 84 4.618 18.061 9.514 1.00 0.00 O ATOM 1508 CB ASP A 84 3.600 20.190 7.003 1.00 0.00 C ATOM 1509 CG ASP A 84 3.372 21.637 6.606 1.00 0.00 C ATOM 1510 OD1 ASP A 84 3.444 22.513 7.493 1.00 0.00 O ATOM 1511 OD2 ASP A 84 3.120 21.891 5.410 1.00 0.00 O ATOM 0 H ASP A 84 6.070 18.613 7.865 1.00 0.00 H new ATOM 0 HA ASP A 84 4.709 21.029 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.985 19.637 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.647 19.736 7.273 1.00 0.00 H new ATOM 1516 N LEU A 85 2.854 19.435 9.767 1.00 0.00 N ATOM 1517 CA LEU A 85 2.209 18.602 10.776 1.00 0.00 C ATOM 1518 C LEU A 85 0.693 18.616 10.609 1.00 0.00 C ATOM 1519 O LEU A 85 -0.049 18.716 11.586 1.00 0.00 O ATOM 1520 CB LEU A 85 2.586 19.081 12.179 1.00 0.00 C ATOM 1521 CG LEU A 85 4.083 19.066 12.490 1.00 0.00 C ATOM 1522 CD1 LEU A 85 4.746 20.340 11.991 1.00 0.00 C ATOM 1523 CD2 LEU A 85 4.314 18.892 13.984 1.00 0.00 C ATOM 0 H LEU A 85 2.342 20.285 9.532 1.00 0.00 H new ATOM 0 HA LEU A 85 2.559 17.578 10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.214 20.097 12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.073 18.456 12.910 1.00 0.00 H new ATOM 0 HG LEU A 85 4.534 18.220 11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.811 20.310 12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.610 20.422 10.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.293 21.202 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.385 18.883 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.849 19.717 14.523 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.874 17.950 14.313 1.00 0.00 H new ATOM 1535 N ILE A 86 0.239 18.516 9.362 1.00 0.00 N ATOM 1536 CA ILE A 86 -1.189 18.518 9.066 1.00 0.00 C ATOM 1537 C ILE A 86 -1.626 17.216 8.396 1.00 0.00 C ATOM 1538 O ILE A 86 -2.815 17.006 8.153 1.00 0.00 O ATOM 1539 CB ILE A 86 -1.572 19.702 8.157 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -1.006 21.008 8.721 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -3.083 19.794 8.010 1.00 0.00 C ATOM 1542 CD1 ILE A 86 0.436 21.258 8.333 1.00 0.00 C ATOM 0 H ILE A 86 0.840 18.433 8.542 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.704 18.617 10.022 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.142 19.536 7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.617 21.840 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.084 20.989 9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.335 20.636 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.462 18.872 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.536 19.940 8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.771 22.200 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.059 20.445 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.517 21.309 7.247 1.00 0.00 H new ATOM 1554 N GLN A 87 -0.664 16.342 8.100 1.00 0.00 N ATOM 1555 CA GLN A 87 -0.959 15.064 7.459 1.00 0.00 C ATOM 1556 C GLN A 87 -1.510 15.274 6.050 1.00 0.00 C ATOM 1557 O GLN A 87 -0.794 15.103 5.062 1.00 0.00 O ATOM 1558 CB GLN A 87 -1.957 14.262 8.299 1.00 0.00 C ATOM 1559 CG GLN A 87 -1.303 13.196 9.164 1.00 0.00 C ATOM 1560 CD GLN A 87 -0.304 13.775 10.146 1.00 0.00 C ATOM 1561 OE1 GLN A 87 0.852 14.021 9.802 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -0.747 13.994 11.379 1.00 0.00 N ATOM 0 H GLN A 87 0.325 16.497 8.294 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.028 14.502 7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.514 14.947 8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.679 13.787 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.074 12.655 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.800 12.472 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.714 13.775 11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.121 14.381 12.085 1.00 0.00 H new ATOM 1571 N ASN A 88 -2.783 15.641 5.963 1.00 0.00 N ATOM 1572 CA ASN A 88 -3.424 15.872 4.672 1.00 0.00 C ATOM 1573 C ASN A 88 -4.582 16.856 4.804 1.00 0.00 C ATOM 1574 O ASN A 88 -4.521 17.972 4.289 1.00 0.00 O ATOM 1575 CB ASN A 88 -3.926 14.552 4.085 1.00 0.00 C ATOM 1576 CG ASN A 88 -4.199 14.648 2.597 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -4.373 15.741 2.055 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -4.240 13.504 1.925 1.00 0.00 N ATOM 0 H ASN A 88 -3.392 15.785 6.769 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.682 16.303 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.186 13.772 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.838 14.252 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.421 13.508 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.090 12.621 2.412 1.00 0.00 H new ATOM 1585 N ALA A 89 -5.636 16.436 5.495 1.00 0.00 N ATOM 1586 CA ALA A 89 -6.807 17.283 5.691 1.00 0.00 C ATOM 1587 C ALA A 89 -7.521 16.944 6.996 1.00 0.00 C ATOM 1588 O ALA A 89 -8.665 16.491 6.994 1.00 0.00 O ATOM 1589 CB ALA A 89 -7.756 17.147 4.507 1.00 0.00 C ATOM 0 H ALA A 89 -5.704 15.515 5.928 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.473 18.318 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.627 17.784 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.244 17.451 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.077 16.109 4.415 1.00 0.00 H new ATOM 1595 N LYS A 90 -6.836 17.168 8.113 1.00 0.00 N ATOM 1596 CA LYS A 90 -7.406 16.888 9.426 1.00 0.00 C ATOM 1597 C LYS A 90 -7.031 17.977 10.427 1.00 0.00 C ATOM 1598 O LYS A 90 -5.934 17.974 10.983 1.00 0.00 O ATOM 1599 CB LYS A 90 -6.927 15.525 9.934 1.00 0.00 C ATOM 1600 CG LYS A 90 -5.432 15.303 9.776 1.00 0.00 C ATOM 1601 CD LYS A 90 -5.117 13.857 9.424 1.00 0.00 C ATOM 1602 CE LYS A 90 -4.545 13.103 10.615 1.00 0.00 C ATOM 1603 NZ LYS A 90 -4.489 11.635 10.368 1.00 0.00 N ATOM 0 H LYS A 90 -5.887 17.542 8.135 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.491 16.870 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.190 15.427 10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.460 14.740 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.046 15.961 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.923 15.572 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.024 13.360 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.405 13.829 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.543 13.473 10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.155 13.300 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.094 11.157 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.448 11.277 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.886 11.445 9.542 1.00 0.00 H new ATOM 1617 N LYS A 91 -7.953 18.908 10.650 1.00 0.00 N ATOM 1618 CA LYS A 91 -7.723 20.004 11.583 1.00 0.00 C ATOM 1619 C LYS A 91 -7.864 19.529 13.026 1.00 0.00 C ATOM 1620 O LYS A 91 -7.120 20.038 13.891 1.00 0.00 O ATOM 1621 CB LYS A 91 -8.704 21.147 11.312 1.00 0.00 C ATOM 1622 CG LYS A 91 -10.151 20.694 11.202 1.00 0.00 C ATOM 1623 CD LYS A 91 -11.109 21.872 11.277 1.00 0.00 C ATOM 1624 CE LYS A 91 -12.556 21.408 11.329 1.00 0.00 C ATOM 1625 NZ LYS A 91 -13.495 22.469 10.867 1.00 0.00 N ATOM 0 H LYS A 91 -8.867 18.925 10.197 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.705 20.365 11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.622 21.882 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.418 21.649 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.297 20.164 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.375 19.989 12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.885 22.469 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.963 22.517 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.676 20.521 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.808 21.118 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.471 22.114 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.399 23.307 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.271 22.727 9.885 1.00 0.00 H new TER 1639 LYS A 91