USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 17 TYR OH : rot -5:sc= 0.237 USER MOD Set 1.2: A 60 GLN : amide:sc= 0.0155 K(o=0.25,f=-0.51) USER MOD Set 2.1: A 9 SER OG : rot -80:sc= 2.02 USER MOD Set 2.2: A 13 LYS NZ :NH3+ 138:sc= 1.28 (180deg=-0.027) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0503 (180deg=-0.36) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.038 (180deg=-0.155) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.39) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -166:sc= -0.0175 (180deg=-0.262) USER MOD Single : A 15 THR OG1 : rot -70:sc= 0.684 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 18 TYR OH : rot 59:sc= 1.76 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.735 USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0326) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 97:sc= 0.938 USER MOD Single : A 69 LYS NZ :NH3+ -115:sc=-0.00198 (180deg=-0.702) USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= 0.881 (180deg=0.0498) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.364 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.677) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.079 8.397 -7.931 1.00 0.00 N ATOM 2 CA MET A 1 -10.157 8.305 -6.460 1.00 0.00 C ATOM 3 C MET A 1 -9.037 7.425 -5.899 1.00 0.00 C ATOM 4 O MET A 1 -9.170 6.847 -4.816 1.00 0.00 O ATOM 5 CB MET A 1 -11.534 7.769 -6.022 1.00 0.00 C ATOM 6 CG MET A 1 -11.880 6.388 -6.567 1.00 0.00 C ATOM 7 SD MET A 1 -13.440 5.750 -5.912 1.00 0.00 S ATOM 8 CE MET A 1 -14.608 6.928 -6.597 1.00 0.00 C ATOM 0 H1 MET A 1 -10.939 8.854 -8.296 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.247 8.960 -8.200 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.996 7.442 -8.335 1.00 0.00 H new ATOM 0 HA MET A 1 -10.030 9.309 -6.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.566 7.734 -4.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.302 8.474 -6.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.940 6.436 -7.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.077 5.693 -6.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.619 6.530 -6.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.541 7.868 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.375 7.103 -7.647 1.00 0.00 H new ATOM 20 N GLY A 2 -7.928 7.338 -6.630 1.00 0.00 N ATOM 21 CA GLY A 2 -6.800 6.556 -6.162 1.00 0.00 C ATOM 22 C GLY A 2 -6.031 7.278 -5.071 1.00 0.00 C ATOM 23 O GLY A 2 -6.072 8.509 -4.990 1.00 0.00 O ATOM 0 H GLY A 2 -7.792 7.793 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.154 5.597 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.133 6.343 -6.997 1.00 0.00 H new ATOM 27 N HIS A 3 -5.349 6.523 -4.223 1.00 0.00 N ATOM 28 CA HIS A 3 -4.583 7.108 -3.126 1.00 0.00 C ATOM 29 C HIS A 3 -3.312 7.763 -3.639 1.00 0.00 C ATOM 30 O HIS A 3 -2.995 8.892 -3.280 1.00 0.00 O ATOM 31 CB HIS A 3 -4.238 6.049 -2.075 1.00 0.00 C ATOM 32 CG HIS A 3 -5.428 5.479 -1.373 1.00 0.00 C ATOM 33 ND1 HIS A 3 -5.939 4.229 -1.655 1.00 0.00 N ATOM 34 CD2 HIS A 3 -6.215 5.991 -0.397 1.00 0.00 C ATOM 35 CE1 HIS A 3 -6.986 4.000 -0.883 1.00 0.00 C ATOM 36 NE2 HIS A 3 -7.172 5.052 -0.114 1.00 0.00 N ATOM 0 H HIS A 3 -5.308 5.505 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.205 7.873 -2.660 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.691 5.239 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.570 6.490 -1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.108 6.959 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.587 3.103 -0.883 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.911 5.152 0.582 1.00 0.00 H new ATOM 44 N HIS A 4 -2.591 7.048 -4.491 1.00 0.00 N ATOM 45 CA HIS A 4 -1.350 7.556 -5.063 1.00 0.00 C ATOM 46 C HIS A 4 -1.262 7.206 -6.539 1.00 0.00 C ATOM 47 O HIS A 4 -1.441 6.050 -6.929 1.00 0.00 O ATOM 48 CB HIS A 4 -0.123 7.003 -4.314 1.00 0.00 C ATOM 49 CG HIS A 4 0.069 7.572 -2.937 1.00 0.00 C ATOM 50 ND1 HIS A 4 0.779 8.728 -2.700 1.00 0.00 N ATOM 51 CD2 HIS A 4 -0.355 7.144 -1.723 1.00 0.00 C ATOM 52 CE1 HIS A 4 0.783 8.984 -1.404 1.00 0.00 C ATOM 53 NE2 HIS A 4 0.104 8.042 -0.794 1.00 0.00 N ATOM 0 H HIS A 4 -2.845 6.111 -4.803 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.354 8.641 -4.956 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.217 5.920 -4.237 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.770 7.204 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.944 6.261 -1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.264 9.826 -0.928 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.057 7.986 0.212 1.00 0.00 H new ATOM 61 N HIS A 5 -0.961 8.197 -7.351 1.00 0.00 N ATOM 62 CA HIS A 5 -0.876 8.012 -8.791 1.00 0.00 C ATOM 63 C HIS A 5 0.308 8.792 -9.357 1.00 0.00 C ATOM 64 O HIS A 5 0.817 9.712 -8.721 1.00 0.00 O ATOM 65 CB HIS A 5 -2.182 8.462 -9.479 1.00 0.00 C ATOM 66 CG HIS A 5 -2.498 9.924 -9.307 1.00 0.00 C ATOM 67 ND1 HIS A 5 -2.976 10.461 -8.127 1.00 0.00 N ATOM 68 CD2 HIS A 5 -2.390 10.964 -10.171 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.143 11.764 -8.275 1.00 0.00 C ATOM 70 NE2 HIS A 5 -2.793 12.092 -9.503 1.00 0.00 N ATOM 0 H HIS A 5 -0.769 9.149 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.728 6.950 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.114 8.239 -10.544 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -3.010 7.874 -9.083 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -2.050 10.913 -11.195 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.505 12.444 -7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -2.818 13.034 -9.894 1.00 0.00 H new ATOM 78 N HIS A 6 0.732 8.423 -10.543 1.00 0.00 N ATOM 79 CA HIS A 6 1.869 9.067 -11.181 1.00 0.00 C ATOM 80 C HIS A 6 1.469 9.656 -12.521 1.00 0.00 C ATOM 81 O HIS A 6 0.423 9.303 -13.080 1.00 0.00 O ATOM 82 CB HIS A 6 3.029 8.078 -11.373 1.00 0.00 C ATOM 83 CG HIS A 6 3.618 7.571 -10.092 1.00 0.00 C ATOM 84 ND1 HIS A 6 4.582 8.256 -9.390 1.00 0.00 N ATOM 85 CD2 HIS A 6 3.368 6.445 -9.381 1.00 0.00 C ATOM 86 CE1 HIS A 6 4.902 7.577 -8.305 1.00 0.00 C ATOM 87 NE2 HIS A 6 4.180 6.475 -8.272 1.00 0.00 N ATOM 0 H HIS A 6 0.307 7.676 -11.093 1.00 0.00 H new ATOM 0 HA HIS A 6 2.203 9.871 -10.526 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.676 7.230 -11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.813 8.563 -11.954 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.662 5.669 -9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.633 7.874 -7.568 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.217 5.762 -7.544 1.00 0.00 H new ATOM 95 N HIS A 7 2.301 10.552 -13.034 1.00 0.00 N ATOM 96 CA HIS A 7 2.051 11.179 -14.322 1.00 0.00 C ATOM 97 C HIS A 7 2.700 10.352 -15.414 1.00 0.00 C ATOM 98 O HIS A 7 3.837 9.910 -15.259 1.00 0.00 O ATOM 99 CB HIS A 7 2.608 12.608 -14.357 1.00 0.00 C ATOM 100 CG HIS A 7 2.012 13.524 -13.334 1.00 0.00 C ATOM 101 ND1 HIS A 7 0.663 13.789 -13.249 1.00 0.00 N ATOM 102 CD2 HIS A 7 2.592 14.233 -12.338 1.00 0.00 C ATOM 103 CE1 HIS A 7 0.440 14.618 -12.249 1.00 0.00 C ATOM 104 NE2 HIS A 7 1.588 14.900 -11.684 1.00 0.00 N ATOM 0 H HIS A 7 3.158 10.861 -12.575 1.00 0.00 H new ATOM 0 HA HIS A 7 0.974 11.230 -14.481 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.687 12.569 -14.209 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.437 13.028 -15.348 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.646 14.267 -12.103 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.524 15.000 -11.947 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.715 15.519 -10.883 1.00 0.00 H new ATOM 112 N HIS A 8 1.983 10.125 -16.500 1.00 0.00 N ATOM 113 CA HIS A 8 2.505 9.312 -17.580 1.00 0.00 C ATOM 114 C HIS A 8 2.245 9.943 -18.940 1.00 0.00 C ATOM 115 O HIS A 8 1.211 9.693 -19.563 1.00 0.00 O ATOM 116 CB HIS A 8 1.901 7.895 -17.546 1.00 0.00 C ATOM 117 CG HIS A 8 2.199 7.124 -16.291 1.00 0.00 C ATOM 118 ND1 HIS A 8 3.418 6.535 -16.038 1.00 0.00 N ATOM 119 CD2 HIS A 8 1.427 6.856 -15.214 1.00 0.00 C ATOM 120 CE1 HIS A 8 3.382 5.938 -14.863 1.00 0.00 C ATOM 121 NE2 HIS A 8 2.188 6.117 -14.341 1.00 0.00 N ATOM 0 H HIS A 8 1.043 10.490 -16.656 1.00 0.00 H new ATOM 0 HA HIS A 8 3.583 9.247 -17.432 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.820 7.971 -17.663 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.276 7.333 -18.401 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.403 7.165 -15.067 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.195 5.394 -14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.878 5.765 -13.436 1.00 0.00 H new ATOM 129 N SER A 9 3.167 10.766 -19.395 1.00 0.00 N ATOM 130 CA SER A 9 3.056 11.358 -20.709 1.00 0.00 C ATOM 131 C SER A 9 4.129 10.765 -21.619 1.00 0.00 C ATOM 132 O SER A 9 5.312 11.051 -21.461 1.00 0.00 O ATOM 133 CB SER A 9 3.202 12.887 -20.629 1.00 0.00 C ATOM 134 OG SER A 9 2.973 13.493 -21.895 1.00 0.00 O ATOM 0 H SER A 9 4.000 11.039 -18.874 1.00 0.00 H new ATOM 0 HA SER A 9 2.071 11.137 -21.120 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.496 13.285 -19.900 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.202 13.141 -20.277 1.00 0.00 H new ATOM 0 HG SER A 9 3.781 13.419 -22.444 1.00 0.00 H new ATOM 140 N HIS A 10 3.708 9.920 -22.548 1.00 0.00 N ATOM 141 CA HIS A 10 4.637 9.269 -23.471 1.00 0.00 C ATOM 142 C HIS A 10 5.171 10.256 -24.493 1.00 0.00 C ATOM 143 O HIS A 10 6.356 10.224 -24.851 1.00 0.00 O ATOM 144 CB HIS A 10 3.981 8.066 -24.155 1.00 0.00 C ATOM 145 CG HIS A 10 3.783 6.902 -23.230 1.00 0.00 C ATOM 146 ND1 HIS A 10 4.653 5.837 -23.166 1.00 0.00 N ATOM 147 CD2 HIS A 10 2.820 6.649 -22.311 1.00 0.00 C ATOM 148 CE1 HIS A 10 4.234 4.982 -22.252 1.00 0.00 C ATOM 149 NE2 HIS A 10 3.126 5.452 -21.721 1.00 0.00 N ATOM 0 H HIS A 10 2.730 9.666 -22.686 1.00 0.00 H new ATOM 0 HA HIS A 10 5.483 8.901 -22.890 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.016 8.368 -24.562 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.598 7.753 -24.997 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.969 7.275 -22.086 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.718 4.054 -21.985 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.582 4.998 -20.987 1.00 0.00 H new ATOM 157 N MET A 11 4.300 11.131 -24.957 1.00 0.00 N ATOM 158 CA MET A 11 4.697 12.174 -25.877 1.00 0.00 C ATOM 159 C MET A 11 5.254 13.345 -25.093 1.00 0.00 C ATOM 160 O MET A 11 4.829 13.604 -23.958 1.00 0.00 O ATOM 161 CB MET A 11 3.511 12.637 -26.728 1.00 0.00 C ATOM 162 CG MET A 11 2.958 11.563 -27.656 1.00 0.00 C ATOM 163 SD MET A 11 4.186 10.943 -28.836 1.00 0.00 S ATOM 164 CE MET A 11 4.469 12.405 -29.837 1.00 0.00 C ATOM 0 H MET A 11 3.310 11.138 -24.710 1.00 0.00 H new ATOM 0 HA MET A 11 5.460 11.777 -26.547 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.714 12.977 -26.067 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.819 13.495 -27.325 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.585 10.731 -27.058 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.108 11.968 -28.205 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.001 12.126 -30.746 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.512 12.856 -30.100 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.066 13.122 -29.273 1.00 0.00 H new ATOM 174 N VAL A 12 6.188 14.054 -25.678 1.00 0.00 N ATOM 175 CA VAL A 12 6.800 15.173 -24.995 1.00 0.00 C ATOM 176 C VAL A 12 5.937 16.427 -25.118 1.00 0.00 C ATOM 177 O VAL A 12 5.615 16.872 -26.220 1.00 0.00 O ATOM 178 CB VAL A 12 8.247 15.449 -25.506 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.183 14.327 -25.077 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.276 15.607 -27.030 1.00 0.00 C ATOM 0 H VAL A 12 6.541 13.880 -26.619 1.00 0.00 H new ATOM 0 HA VAL A 12 6.872 14.904 -23.941 1.00 0.00 H new ATOM 0 HB VAL A 12 8.587 16.385 -25.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.189 14.534 -25.441 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.197 14.261 -23.989 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.833 13.382 -25.493 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.298 15.799 -27.357 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.911 14.693 -27.498 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.639 16.443 -27.321 1.00 0.00 H new ATOM 190 N LYS A 13 5.548 16.978 -23.982 1.00 0.00 N ATOM 191 CA LYS A 13 4.700 18.158 -23.951 1.00 0.00 C ATOM 192 C LYS A 13 5.508 19.361 -23.513 1.00 0.00 C ATOM 193 O LYS A 13 5.670 19.602 -22.304 1.00 0.00 O ATOM 194 CB LYS A 13 3.511 17.950 -22.997 1.00 0.00 C ATOM 195 CG LYS A 13 2.489 16.916 -23.463 1.00 0.00 C ATOM 196 CD LYS A 13 1.363 16.771 -22.441 1.00 0.00 C ATOM 197 CE LYS A 13 0.254 15.838 -22.927 1.00 0.00 C ATOM 198 NZ LYS A 13 0.744 14.459 -23.171 1.00 0.00 N ATOM 0 H LYS A 13 5.808 16.624 -23.061 1.00 0.00 H new ATOM 0 HA LYS A 13 4.311 18.330 -24.955 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.894 17.648 -22.022 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.004 18.905 -22.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.076 17.214 -24.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.979 15.954 -23.610 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.772 16.389 -21.505 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.941 17.753 -22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.546 15.811 -22.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.176 16.236 -23.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.050 13.775 -22.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.873 14.312 -24.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.653 14.322 -22.684 1.00 0.00 H new ATOM 212 N GLU A 14 6.015 20.116 -24.496 1.00 0.00 N ATOM 213 CA GLU A 14 6.855 21.280 -24.235 1.00 0.00 C ATOM 214 C GLU A 14 7.981 20.915 -23.264 1.00 0.00 C ATOM 215 O GLU A 14 8.075 21.447 -22.148 1.00 0.00 O ATOM 216 CB GLU A 14 6.030 22.453 -23.688 1.00 0.00 C ATOM 217 CG GLU A 14 6.854 23.715 -23.441 1.00 0.00 C ATOM 218 CD GLU A 14 6.051 24.823 -22.808 1.00 0.00 C ATOM 219 OE1 GLU A 14 5.851 24.785 -21.575 1.00 0.00 O ATOM 220 OE2 GLU A 14 5.626 25.747 -23.532 1.00 0.00 O ATOM 0 H GLU A 14 5.853 19.935 -25.487 1.00 0.00 H new ATOM 0 HA GLU A 14 7.295 21.597 -25.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.230 22.683 -24.391 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.556 22.149 -22.754 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.699 23.471 -22.797 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.265 24.066 -24.387 1.00 0.00 H new ATOM 227 N THR A 15 8.804 19.984 -23.663 1.00 0.00 N ATOM 228 CA THR A 15 9.856 19.559 -22.833 1.00 0.00 C ATOM 229 C THR A 15 11.091 20.401 -23.023 1.00 0.00 C ATOM 230 O THR A 15 11.675 20.454 -24.101 1.00 0.00 O ATOM 231 CB THR A 15 10.185 18.105 -23.067 1.00 0.00 C ATOM 232 OG1 THR A 15 9.015 17.308 -22.854 1.00 0.00 O ATOM 233 CG2 THR A 15 11.280 17.651 -22.134 1.00 0.00 C ATOM 0 H THR A 15 8.751 19.513 -24.566 1.00 0.00 H new ATOM 0 HA THR A 15 9.515 19.680 -21.805 1.00 0.00 H new ATOM 0 HB THR A 15 10.530 17.987 -24.094 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.791 17.304 -21.900 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.503 16.600 -22.318 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.176 18.247 -22.307 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.954 17.777 -21.102 1.00 0.00 H new ATOM 241 N THR A 16 11.468 21.050 -21.975 1.00 0.00 N ATOM 242 CA THR A 16 12.661 21.832 -21.941 1.00 0.00 C ATOM 243 C THR A 16 13.562 21.280 -20.861 1.00 0.00 C ATOM 244 O THR A 16 13.207 20.305 -20.217 1.00 0.00 O ATOM 245 CB THR A 16 12.363 23.349 -21.713 1.00 0.00 C ATOM 246 OG1 THR A 16 13.579 24.103 -21.629 1.00 0.00 O ATOM 247 CG2 THR A 16 11.536 23.573 -20.451 1.00 0.00 C ATOM 0 H THR A 16 10.946 21.053 -21.099 1.00 0.00 H new ATOM 0 HA THR A 16 13.159 21.766 -22.908 1.00 0.00 H new ATOM 0 HB THR A 16 11.787 23.694 -22.571 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.368 25.050 -21.488 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.348 24.639 -20.324 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.587 23.045 -20.540 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.082 23.195 -19.586 1.00 0.00 H new ATOM 255 N TYR A 17 14.705 21.890 -20.656 1.00 0.00 N ATOM 256 CA TYR A 17 15.649 21.417 -19.644 1.00 0.00 C ATOM 257 C TYR A 17 15.014 21.442 -18.274 1.00 0.00 C ATOM 258 O TYR A 17 15.319 20.615 -17.425 1.00 0.00 O ATOM 259 CB TYR A 17 16.924 22.253 -19.675 1.00 0.00 C ATOM 260 CG TYR A 17 17.747 22.013 -20.924 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.596 20.918 -21.015 1.00 0.00 C ATOM 262 CD2 TYR A 17 17.659 22.864 -22.017 1.00 0.00 C ATOM 263 CE1 TYR A 17 19.336 20.685 -22.154 1.00 0.00 C ATOM 264 CE2 TYR A 17 18.396 22.631 -23.164 1.00 0.00 C ATOM 265 CZ TYR A 17 19.232 21.541 -23.226 1.00 0.00 C ATOM 266 OH TYR A 17 19.966 21.303 -24.365 1.00 0.00 O ATOM 0 H TYR A 17 15.013 22.715 -21.171 1.00 0.00 H new ATOM 0 HA TYR A 17 15.916 20.385 -19.870 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.663 23.310 -19.614 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.527 22.022 -18.797 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.678 20.238 -20.180 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.005 23.722 -21.971 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.996 19.832 -22.205 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.315 23.302 -24.007 1.00 0.00 H new ATOM 0 HH TYR A 17 20.565 20.542 -24.215 1.00 0.00 H new ATOM 276 N TYR A 18 14.108 22.374 -18.081 1.00 0.00 N ATOM 277 CA TYR A 18 13.376 22.481 -16.859 1.00 0.00 C ATOM 278 C TYR A 18 12.404 21.300 -16.741 1.00 0.00 C ATOM 279 O TYR A 18 12.203 20.748 -15.663 1.00 0.00 O ATOM 280 CB TYR A 18 12.614 23.796 -16.846 1.00 0.00 C ATOM 281 CG TYR A 18 13.484 25.052 -16.830 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.483 25.271 -17.794 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.295 26.025 -15.860 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.251 26.424 -17.774 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.055 27.176 -15.842 1.00 0.00 C ATOM 286 CZ TYR A 18 15.027 27.375 -16.799 1.00 0.00 C ATOM 287 OH TYR A 18 15.780 28.530 -16.774 1.00 0.00 O ATOM 0 H TYR A 18 13.864 23.078 -18.777 1.00 0.00 H new ATOM 0 HA TYR A 18 14.061 22.458 -16.012 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.968 23.832 -17.723 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.964 23.812 -15.971 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.654 24.530 -18.561 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.538 25.879 -15.104 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.020 26.578 -18.517 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.889 27.921 -15.078 1.00 0.00 H new ATOM 0 HH TYR A 18 15.665 29.014 -17.619 1.00 0.00 H new ATOM 297 N ASP A 19 11.805 20.930 -17.877 1.00 0.00 N ATOM 298 CA ASP A 19 10.864 19.801 -17.948 1.00 0.00 C ATOM 299 C ASP A 19 11.584 18.477 -17.724 1.00 0.00 C ATOM 300 O ASP A 19 11.099 17.610 -17.002 1.00 0.00 O ATOM 301 CB ASP A 19 10.146 19.773 -19.303 1.00 0.00 C ATOM 302 CG ASP A 19 8.987 18.785 -19.318 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.030 18.987 -18.550 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.018 17.823 -20.098 1.00 0.00 O ATOM 0 H ASP A 19 11.955 21.400 -18.770 1.00 0.00 H new ATOM 0 HA ASP A 19 10.125 19.939 -17.158 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.774 20.771 -19.536 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.858 19.508 -20.084 1.00 0.00 H new ATOM 309 N VAL A 20 12.751 18.343 -18.348 1.00 0.00 N ATOM 310 CA VAL A 20 13.597 17.159 -18.213 1.00 0.00 C ATOM 311 C VAL A 20 14.010 16.985 -16.764 1.00 0.00 C ATOM 312 O VAL A 20 14.015 15.878 -16.220 1.00 0.00 O ATOM 313 CB VAL A 20 14.877 17.284 -19.074 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.726 16.040 -18.974 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.532 17.574 -20.511 1.00 0.00 C ATOM 0 H VAL A 20 13.139 19.056 -18.965 1.00 0.00 H new ATOM 0 HA VAL A 20 13.020 16.299 -18.553 1.00 0.00 H new ATOM 0 HB VAL A 20 15.457 18.121 -18.684 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.618 16.158 -19.589 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.020 15.882 -17.936 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.155 15.180 -19.324 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.448 17.657 -21.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.920 16.764 -20.909 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.977 18.511 -20.570 1.00 0.00 H new ATOM 325 N LEU A 21 14.349 18.097 -16.148 1.00 0.00 N ATOM 326 CA LEU A 21 14.809 18.109 -14.771 1.00 0.00 C ATOM 327 C LEU A 21 13.606 18.075 -13.826 1.00 0.00 C ATOM 328 O LEU A 21 13.759 17.947 -12.619 1.00 0.00 O ATOM 329 CB LEU A 21 15.659 19.362 -14.522 1.00 0.00 C ATOM 330 CG LEU A 21 16.702 19.246 -13.416 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.799 18.282 -13.816 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.282 20.599 -13.075 1.00 0.00 C ATOM 0 H LEU A 21 14.315 19.018 -16.584 1.00 0.00 H new ATOM 0 HA LEU A 21 15.424 17.229 -14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.168 19.623 -15.450 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.991 20.189 -14.281 1.00 0.00 H new ATOM 0 HG LEU A 21 16.208 18.856 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.533 18.213 -13.013 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.369 17.297 -14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.285 18.641 -14.723 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.023 20.488 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.756 21.025 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.485 21.261 -12.736 1.00 0.00 H new ATOM 344 N GLY A 22 12.406 18.162 -14.403 1.00 0.00 N ATOM 345 CA GLY A 22 11.185 18.081 -13.634 1.00 0.00 C ATOM 346 C GLY A 22 11.062 19.176 -12.598 1.00 0.00 C ATOM 347 O GLY A 22 10.580 18.940 -11.478 1.00 0.00 O ATOM 0 H GLY A 22 12.264 18.289 -15.405 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.332 18.132 -14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.139 17.112 -13.137 1.00 0.00 H new ATOM 351 N VAL A 23 11.464 20.372 -12.963 1.00 0.00 N ATOM 352 CA VAL A 23 11.474 21.465 -12.025 1.00 0.00 C ATOM 353 C VAL A 23 10.612 22.621 -12.534 1.00 0.00 C ATOM 354 O VAL A 23 10.208 22.648 -13.703 1.00 0.00 O ATOM 355 CB VAL A 23 12.925 21.958 -11.759 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.361 23.014 -12.756 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.090 22.430 -10.326 1.00 0.00 C ATOM 0 H VAL A 23 11.787 20.610 -13.901 1.00 0.00 H new ATOM 0 HA VAL A 23 11.056 21.102 -11.086 1.00 0.00 H new ATOM 0 HB VAL A 23 13.588 21.105 -11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.380 23.328 -12.531 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.323 22.601 -13.764 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.694 23.873 -12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.114 22.769 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.402 23.253 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.872 21.608 -9.645 1.00 0.00 H new ATOM 367 N LYS A 24 10.329 23.560 -11.660 1.00 0.00 N ATOM 368 CA LYS A 24 9.501 24.694 -11.997 1.00 0.00 C ATOM 369 C LYS A 24 10.350 25.796 -12.631 1.00 0.00 C ATOM 370 O LYS A 24 11.547 25.895 -12.371 1.00 0.00 O ATOM 371 CB LYS A 24 8.817 25.236 -10.736 1.00 0.00 C ATOM 372 CG LYS A 24 7.956 24.218 -9.982 1.00 0.00 C ATOM 373 CD LYS A 24 7.579 24.728 -8.601 1.00 0.00 C ATOM 374 CE LYS A 24 6.851 23.661 -7.795 1.00 0.00 C ATOM 375 NZ LYS A 24 6.551 24.110 -6.408 1.00 0.00 N ATOM 0 H LYS A 24 10.666 23.559 -10.697 1.00 0.00 H new ATOM 0 HA LYS A 24 8.742 24.373 -12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.583 25.615 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.191 26.084 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.052 24.009 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.499 23.277 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.478 25.039 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.945 25.609 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.921 23.399 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.459 22.757 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.055 23.352 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.439 24.336 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.948 24.957 -6.440 1.00 0.00 H new ATOM 389 N PRO A 25 9.737 26.654 -13.445 1.00 0.00 N ATOM 390 CA PRO A 25 10.432 27.768 -14.094 1.00 0.00 C ATOM 391 C PRO A 25 10.855 28.835 -13.091 1.00 0.00 C ATOM 392 O PRO A 25 11.630 29.734 -13.410 1.00 0.00 O ATOM 393 CB PRO A 25 9.399 28.333 -15.081 1.00 0.00 C ATOM 394 CG PRO A 25 8.283 27.336 -15.106 1.00 0.00 C ATOM 395 CD PRO A 25 8.323 26.619 -13.791 1.00 0.00 C ATOM 0 HA PRO A 25 11.352 27.443 -14.580 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.044 29.312 -14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.833 28.461 -16.073 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.323 27.832 -15.248 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.406 26.637 -15.933 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.711 27.118 -13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.953 25.597 -13.876 1.00 0.00 H new ATOM 403 N ASN A 26 10.335 28.725 -11.879 1.00 0.00 N ATOM 404 CA ASN A 26 10.595 29.693 -10.828 1.00 0.00 C ATOM 405 C ASN A 26 11.497 29.083 -9.783 1.00 0.00 C ATOM 406 O ASN A 26 11.718 29.658 -8.723 1.00 0.00 O ATOM 407 CB ASN A 26 9.282 30.129 -10.190 1.00 0.00 C ATOM 408 CG ASN A 26 8.389 30.904 -11.144 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.868 31.662 -11.986 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.086 30.701 -11.031 1.00 0.00 N ATOM 0 H ASN A 26 9.721 27.961 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 26 11.088 30.565 -11.259 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.747 29.249 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.495 30.747 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.439 31.182 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.729 30.064 -10.319 1.00 0.00 H new ATOM 417 N ALA A 27 12.019 27.903 -10.095 1.00 0.00 N ATOM 418 CA ALA A 27 12.853 27.164 -9.182 1.00 0.00 C ATOM 419 C ALA A 27 14.179 27.851 -8.916 1.00 0.00 C ATOM 420 O ALA A 27 14.729 28.551 -9.777 1.00 0.00 O ATOM 421 CB ALA A 27 13.067 25.782 -9.720 1.00 0.00 C ATOM 0 H ALA A 27 11.870 27.439 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 27 12.339 27.113 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.698 25.218 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.105 25.280 -9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.554 25.842 -10.693 1.00 0.00 H new ATOM 427 N THR A 28 14.675 27.650 -7.714 1.00 0.00 N ATOM 428 CA THR A 28 15.914 28.244 -7.268 1.00 0.00 C ATOM 429 C THR A 28 17.087 27.453 -7.712 1.00 0.00 C ATOM 430 O THR A 28 16.952 26.335 -8.194 1.00 0.00 O ATOM 431 CB THR A 28 15.944 28.334 -5.742 1.00 0.00 C ATOM 432 OG1 THR A 28 15.885 27.022 -5.175 1.00 0.00 O ATOM 433 CG2 THR A 28 14.762 29.104 -5.286 1.00 0.00 C ATOM 0 H THR A 28 14.223 27.063 -7.013 1.00 0.00 H new ATOM 0 HA THR A 28 15.967 29.240 -7.707 1.00 0.00 H new ATOM 0 HB THR A 28 16.865 28.824 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.906 27.087 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.772 29.175 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.792 30.105 -5.716 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.852 28.598 -5.608 1.00 0.00 H new ATOM 441 N GLN A 29 18.236 28.042 -7.551 1.00 0.00 N ATOM 442 CA GLN A 29 19.483 27.374 -7.823 1.00 0.00 C ATOM 443 C GLN A 29 19.566 26.089 -7.016 1.00 0.00 C ATOM 444 O GLN A 29 20.030 25.057 -7.505 1.00 0.00 O ATOM 445 CB GLN A 29 20.642 28.301 -7.487 1.00 0.00 C ATOM 446 CG GLN A 29 22.011 27.712 -7.783 1.00 0.00 C ATOM 447 CD GLN A 29 23.141 28.673 -7.472 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.040 29.502 -6.563 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.223 28.570 -8.216 1.00 0.00 N ATOM 0 H GLN A 29 18.339 29.003 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 29 19.539 27.118 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.527 29.228 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.591 28.561 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.144 26.801 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.060 27.428 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.267 27.871 -8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.017 29.189 -8.050 1.00 0.00 H new ATOM 458 N GLU A 30 19.093 26.158 -5.782 1.00 0.00 N ATOM 459 CA GLU A 30 19.103 25.007 -4.903 1.00 0.00 C ATOM 460 C GLU A 30 18.054 23.993 -5.347 1.00 0.00 C ATOM 461 O GLU A 30 18.282 22.785 -5.295 1.00 0.00 O ATOM 462 CB GLU A 30 18.865 25.433 -3.464 1.00 0.00 C ATOM 463 CG GLU A 30 19.170 24.330 -2.464 1.00 0.00 C ATOM 464 CD GLU A 30 19.087 24.788 -1.033 1.00 0.00 C ATOM 465 OE1 GLU A 30 17.973 24.867 -0.494 1.00 0.00 O ATOM 466 OE2 GLU A 30 20.152 25.064 -0.429 1.00 0.00 O ATOM 0 H GLU A 30 18.697 27.002 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 30 20.084 24.535 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.485 26.301 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.827 25.744 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.472 23.507 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.169 23.940 -2.657 1.00 0.00 H new ATOM 473 N GLU A 31 16.905 24.501 -5.798 1.00 0.00 N ATOM 474 CA GLU A 31 15.824 23.685 -6.282 1.00 0.00 C ATOM 475 C GLU A 31 16.266 22.930 -7.536 1.00 0.00 C ATOM 476 O GLU A 31 15.938 21.757 -7.715 1.00 0.00 O ATOM 477 CB GLU A 31 14.622 24.585 -6.588 1.00 0.00 C ATOM 478 CG GLU A 31 13.388 23.850 -7.053 1.00 0.00 C ATOM 479 CD GLU A 31 12.695 23.083 -5.945 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.312 22.171 -5.365 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.521 23.399 -5.644 1.00 0.00 O ATOM 0 H GLU A 31 16.711 25.502 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 31 15.540 22.953 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.374 25.154 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.910 25.305 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.688 24.566 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.664 23.157 -7.848 1.00 0.00 H new ATOM 488 N LEU A 32 17.023 23.612 -8.390 1.00 0.00 N ATOM 489 CA LEU A 32 17.552 23.007 -9.604 1.00 0.00 C ATOM 490 C LEU A 32 18.477 21.836 -9.276 1.00 0.00 C ATOM 491 O LEU A 32 18.380 20.762 -9.881 1.00 0.00 O ATOM 492 CB LEU A 32 18.294 24.042 -10.441 1.00 0.00 C ATOM 493 CG LEU A 32 17.433 24.910 -11.366 1.00 0.00 C ATOM 494 CD1 LEU A 32 15.972 24.889 -10.951 1.00 0.00 C ATOM 495 CD2 LEU A 32 17.935 26.337 -11.390 1.00 0.00 C ATOM 0 H LEU A 32 17.284 24.590 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 32 16.709 22.627 -10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.841 24.700 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.034 23.523 -11.050 1.00 0.00 H new ATOM 0 HG LEU A 32 17.513 24.487 -12.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.392 25.515 -11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.597 23.866 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.877 25.270 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.308 26.932 -12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.896 26.753 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.963 26.355 -11.751 1.00 0.00 H new ATOM 507 N LYS A 33 19.368 22.042 -8.305 1.00 0.00 N ATOM 508 CA LYS A 33 20.273 20.985 -7.867 1.00 0.00 C ATOM 509 C LYS A 33 19.487 19.838 -7.235 1.00 0.00 C ATOM 510 O LYS A 33 19.796 18.657 -7.445 1.00 0.00 O ATOM 511 CB LYS A 33 21.326 21.527 -6.893 1.00 0.00 C ATOM 512 CG LYS A 33 22.261 22.556 -7.519 1.00 0.00 C ATOM 513 CD LYS A 33 23.326 23.020 -6.542 1.00 0.00 C ATOM 514 CE LYS A 33 24.232 24.074 -7.168 1.00 0.00 C ATOM 515 NZ LYS A 33 25.310 24.511 -6.241 1.00 0.00 N ATOM 0 H LYS A 33 19.480 22.927 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 33 20.797 20.602 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.821 21.979 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.918 20.695 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.738 22.125 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.681 23.414 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.851 23.429 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.924 22.167 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.678 23.673 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.634 24.937 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.901 25.228 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.886 24.918 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.898 23.693 -5.982 1.00 0.00 H new ATOM 529 N LYS A 34 18.463 20.203 -6.463 1.00 0.00 N ATOM 530 CA LYS A 34 17.596 19.241 -5.790 1.00 0.00 C ATOM 531 C LYS A 34 16.894 18.340 -6.812 1.00 0.00 C ATOM 532 O LYS A 34 16.784 17.124 -6.606 1.00 0.00 O ATOM 533 CB LYS A 34 16.559 19.979 -4.930 1.00 0.00 C ATOM 534 CG LYS A 34 15.650 19.070 -4.108 1.00 0.00 C ATOM 535 CD LYS A 34 14.647 19.887 -3.302 1.00 0.00 C ATOM 536 CE LYS A 34 13.697 19.007 -2.497 1.00 0.00 C ATOM 537 NZ LYS A 34 14.397 18.241 -1.433 1.00 0.00 N ATOM 0 H LYS A 34 18.213 21.176 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 34 18.209 18.613 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.083 20.654 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.940 20.596 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.119 18.386 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.252 18.460 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.184 20.552 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.069 20.518 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.925 19.630 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.193 18.312 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.699 17.724 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.056 17.565 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.926 18.897 -0.824 1.00 0.00 H new ATOM 551 N ALA A 35 16.412 18.945 -7.902 1.00 0.00 N ATOM 552 CA ALA A 35 15.756 18.197 -8.967 1.00 0.00 C ATOM 553 C ALA A 35 16.701 17.155 -9.526 1.00 0.00 C ATOM 554 O ALA A 35 16.354 15.984 -9.625 1.00 0.00 O ATOM 555 CB ALA A 35 15.294 19.131 -10.085 1.00 0.00 C ATOM 0 H ALA A 35 16.466 19.950 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 35 14.880 17.702 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.808 18.549 -10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.589 19.859 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.155 19.652 -10.503 1.00 0.00 H new ATOM 561 N TYR A 36 17.914 17.587 -9.848 1.00 0.00 N ATOM 562 CA TYR A 36 18.929 16.700 -10.396 1.00 0.00 C ATOM 563 C TYR A 36 19.230 15.566 -9.443 1.00 0.00 C ATOM 564 O TYR A 36 19.297 14.421 -9.845 1.00 0.00 O ATOM 565 CB TYR A 36 20.210 17.470 -10.692 1.00 0.00 C ATOM 566 CG TYR A 36 21.358 16.592 -11.153 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.423 16.132 -12.455 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.378 16.235 -10.280 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.468 15.337 -12.879 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.429 15.440 -10.696 1.00 0.00 C ATOM 571 CZ TYR A 36 23.470 14.995 -11.994 1.00 0.00 C ATOM 572 OH TYR A 36 24.519 14.202 -12.414 1.00 0.00 O ATOM 0 H TYR A 36 18.219 18.554 -9.737 1.00 0.00 H new ATOM 0 HA TYR A 36 18.538 16.283 -11.324 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.005 18.217 -11.459 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.514 18.009 -9.795 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.643 16.399 -13.152 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.349 16.585 -9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.502 14.984 -13.899 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.213 15.170 -10.004 1.00 0.00 H new ATOM 0 HH TYR A 36 25.138 14.056 -11.668 1.00 0.00 H new ATOM 582 N ARG A 37 19.400 15.897 -8.180 1.00 0.00 N ATOM 583 CA ARG A 37 19.703 14.903 -7.165 1.00 0.00 C ATOM 584 C ARG A 37 18.585 13.862 -7.055 1.00 0.00 C ATOM 585 O ARG A 37 18.850 12.662 -6.933 1.00 0.00 O ATOM 586 CB ARG A 37 19.966 15.579 -5.827 1.00 0.00 C ATOM 587 CG ARG A 37 20.332 14.623 -4.711 1.00 0.00 C ATOM 588 CD ARG A 37 20.805 15.377 -3.490 1.00 0.00 C ATOM 589 NE ARG A 37 22.088 16.041 -3.743 1.00 0.00 N ATOM 590 CZ ARG A 37 22.434 17.236 -3.267 1.00 0.00 C ATOM 591 NH1 ARG A 37 21.583 17.936 -2.521 1.00 0.00 N ATOM 592 NH2 ARG A 37 23.638 17.740 -3.543 1.00 0.00 N ATOM 0 H ARG A 37 19.333 16.852 -7.828 1.00 0.00 H new ATOM 0 HA ARG A 37 20.608 14.373 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.772 16.302 -5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 37 19.078 16.139 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.468 14.010 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.114 13.944 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.058 16.118 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.907 14.689 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 37 22.766 15.551 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.659 17.558 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.854 18.850 -2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.293 17.210 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.904 18.655 -3.179 1.00 0.00 H new ATOM 606 N LYS A 38 17.349 14.327 -7.106 1.00 0.00 N ATOM 607 CA LYS A 38 16.183 13.446 -7.067 1.00 0.00 C ATOM 608 C LYS A 38 16.203 12.484 -8.263 1.00 0.00 C ATOM 609 O LYS A 38 16.031 11.259 -8.116 1.00 0.00 O ATOM 610 CB LYS A 38 14.909 14.302 -7.104 1.00 0.00 C ATOM 611 CG LYS A 38 13.610 13.512 -7.171 1.00 0.00 C ATOM 612 CD LYS A 38 12.412 14.446 -7.246 1.00 0.00 C ATOM 613 CE LYS A 38 11.112 13.684 -7.409 1.00 0.00 C ATOM 614 NZ LYS A 38 9.947 14.602 -7.507 1.00 0.00 N ATOM 0 H LYS A 38 17.120 15.319 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 38 16.204 12.857 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.888 14.935 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.959 14.965 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.622 12.858 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.523 12.872 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.367 15.052 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.538 15.132 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.163 13.064 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.975 13.011 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.075 14.046 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.884 15.176 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.066 15.227 -8.330 1.00 0.00 H new ATOM 628 N LEU A 39 16.433 13.044 -9.438 1.00 0.00 N ATOM 629 CA LEU A 39 16.475 12.268 -10.669 1.00 0.00 C ATOM 630 C LEU A 39 17.640 11.315 -10.660 1.00 0.00 C ATOM 631 O LEU A 39 17.522 10.190 -11.081 1.00 0.00 O ATOM 632 CB LEU A 39 16.601 13.186 -11.853 1.00 0.00 C ATOM 633 CG LEU A 39 15.603 14.311 -11.899 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.838 15.193 -13.105 1.00 0.00 C ATOM 635 CD2 LEU A 39 14.169 13.784 -11.874 1.00 0.00 C ATOM 0 H LEU A 39 16.595 14.043 -9.567 1.00 0.00 H new ATOM 0 HA LEU A 39 15.549 11.698 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.605 13.611 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.501 12.595 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 39 15.746 14.918 -11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.104 15.998 -13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.841 15.617 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.739 14.600 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.473 14.622 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.003 13.139 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.007 13.215 -10.959 1.00 0.00 H new ATOM 647 N ALA A 40 18.761 11.787 -10.172 1.00 0.00 N ATOM 648 CA ALA A 40 19.991 10.995 -10.131 1.00 0.00 C ATOM 649 C ALA A 40 19.814 9.714 -9.343 1.00 0.00 C ATOM 650 O ALA A 40 20.340 8.671 -9.714 1.00 0.00 O ATOM 651 CB ALA A 40 21.140 11.816 -9.560 1.00 0.00 C ATOM 0 H ALA A 40 18.859 12.728 -9.790 1.00 0.00 H new ATOM 0 HA ALA A 40 20.231 10.718 -11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 22.045 11.209 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.306 12.693 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.892 12.134 -8.547 1.00 0.00 H new ATOM 657 N LEU A 41 19.106 9.804 -8.247 1.00 0.00 N ATOM 658 CA LEU A 41 18.853 8.661 -7.412 1.00 0.00 C ATOM 659 C LEU A 41 17.972 7.620 -8.131 1.00 0.00 C ATOM 660 O LEU A 41 18.250 6.418 -8.085 1.00 0.00 O ATOM 661 CB LEU A 41 18.189 9.118 -6.123 1.00 0.00 C ATOM 662 CG LEU A 41 19.043 10.012 -5.217 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.235 10.499 -4.032 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.289 9.275 -4.749 1.00 0.00 C ATOM 0 H LEU A 41 18.689 10.672 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 41 19.805 8.181 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.276 9.656 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.892 8.236 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 41 19.359 10.879 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.859 11.132 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.378 11.072 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.885 9.644 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.879 9.929 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.997 8.386 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.884 8.981 -5.614 1.00 0.00 H new ATOM 676 N LYS A 42 16.917 8.093 -8.797 1.00 0.00 N ATOM 677 CA LYS A 42 15.991 7.219 -9.498 1.00 0.00 C ATOM 678 C LYS A 42 16.519 6.724 -10.852 1.00 0.00 C ATOM 679 O LYS A 42 16.488 5.530 -11.148 1.00 0.00 O ATOM 680 CB LYS A 42 14.676 7.921 -9.680 1.00 0.00 C ATOM 681 CG LYS A 42 13.897 8.082 -8.391 1.00 0.00 C ATOM 682 CD LYS A 42 13.450 6.733 -7.833 1.00 0.00 C ATOM 683 CE LYS A 42 12.645 6.899 -6.553 1.00 0.00 C ATOM 684 NZ LYS A 42 12.167 5.598 -6.020 1.00 0.00 N ATOM 0 H LYS A 42 16.687 9.085 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 42 15.866 6.331 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.855 8.905 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.071 7.363 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.514 8.595 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.024 8.710 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.848 6.211 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.324 6.112 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.259 7.395 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.790 7.548 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.624 5.759 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.560 5.136 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.983 4.987 -5.812 1.00 0.00 H new ATOM 698 N TYR A 43 17.022 7.647 -11.652 1.00 0.00 N ATOM 699 CA TYR A 43 17.477 7.348 -13.016 1.00 0.00 C ATOM 700 C TYR A 43 18.983 7.158 -13.070 1.00 0.00 C ATOM 701 O TYR A 43 19.610 7.451 -14.083 1.00 0.00 O ATOM 702 CB TYR A 43 17.059 8.465 -14.003 1.00 0.00 C ATOM 703 CG TYR A 43 15.563 8.697 -14.079 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.740 7.808 -14.758 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.974 9.806 -13.472 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.377 8.010 -14.833 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.607 10.014 -13.544 1.00 0.00 C ATOM 708 CZ TYR A 43 12.814 9.112 -14.224 1.00 0.00 C ATOM 709 OH TYR A 43 11.449 9.308 -14.295 1.00 0.00 O ATOM 0 H TYR A 43 17.130 8.625 -11.384 1.00 0.00 H new ATOM 0 HA TYR A 43 16.997 6.416 -13.314 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.545 9.395 -13.709 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.428 8.213 -14.997 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.175 6.943 -15.236 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.593 10.512 -12.938 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.753 7.308 -15.367 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.164 10.878 -13.071 1.00 0.00 H new ATOM 0 HH TYR A 43 11.211 10.128 -13.815 1.00 0.00 H new ATOM 719 N HIS A 44 19.556 6.679 -11.967 1.00 0.00 N ATOM 720 CA HIS A 44 20.997 6.420 -11.877 1.00 0.00 C ATOM 721 C HIS A 44 21.471 5.618 -13.100 1.00 0.00 C ATOM 722 O HIS A 44 21.014 4.502 -13.314 1.00 0.00 O ATOM 723 CB HIS A 44 21.301 5.635 -10.595 1.00 0.00 C ATOM 724 CG HIS A 44 22.701 5.797 -10.110 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.672 4.835 -10.269 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.297 6.822 -9.455 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.803 5.261 -9.731 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.600 6.459 -9.235 1.00 0.00 N ATOM 0 H HIS A 44 19.041 6.460 -11.114 1.00 0.00 H new ATOM 0 HA HIS A 44 21.526 7.373 -11.854 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.615 5.957 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.108 4.577 -10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.832 7.752 -9.161 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.735 4.716 -9.704 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.301 7.029 -8.761 1.00 0.00 H new ATOM 736 N PRO A 45 22.403 6.177 -13.905 1.00 0.00 N ATOM 737 CA PRO A 45 22.887 5.535 -15.146 1.00 0.00 C ATOM 738 C PRO A 45 23.593 4.213 -14.885 1.00 0.00 C ATOM 739 O PRO A 45 23.610 3.322 -15.737 1.00 0.00 O ATOM 740 CB PRO A 45 23.862 6.561 -15.720 1.00 0.00 C ATOM 741 CG PRO A 45 24.279 7.367 -14.551 1.00 0.00 C ATOM 742 CD PRO A 45 23.073 7.462 -13.666 1.00 0.00 C ATOM 0 HA PRO A 45 22.066 5.284 -15.818 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.716 6.076 -16.193 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.385 7.180 -16.480 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.111 6.895 -14.028 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.616 8.357 -14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.347 7.588 -12.619 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.438 8.307 -13.934 1.00 0.00 H new ATOM 750 N ASP A 46 24.170 4.086 -13.703 1.00 0.00 N ATOM 751 CA ASP A 46 24.857 2.867 -13.319 1.00 0.00 C ATOM 752 C ASP A 46 23.849 1.786 -12.938 1.00 0.00 C ATOM 753 O ASP A 46 24.190 0.619 -12.843 1.00 0.00 O ATOM 754 CB ASP A 46 25.805 3.135 -12.147 1.00 0.00 C ATOM 755 CG ASP A 46 26.926 4.097 -12.495 1.00 0.00 C ATOM 756 OD1 ASP A 46 26.723 5.328 -12.366 1.00 0.00 O ATOM 757 OD2 ASP A 46 28.015 3.635 -12.887 1.00 0.00 O ATOM 0 H ASP A 46 24.176 4.816 -12.990 1.00 0.00 H new ATOM 0 HA ASP A 46 25.441 2.519 -14.171 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.234 3.539 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.235 2.191 -11.812 1.00 0.00 H new ATOM 762 N LYS A 47 22.603 2.192 -12.724 1.00 0.00 N ATOM 763 CA LYS A 47 21.550 1.257 -12.341 1.00 0.00 C ATOM 764 C LYS A 47 20.607 1.031 -13.515 1.00 0.00 C ATOM 765 O LYS A 47 20.176 -0.087 -13.775 1.00 0.00 O ATOM 766 CB LYS A 47 20.766 1.805 -11.141 1.00 0.00 C ATOM 767 CG LYS A 47 19.783 0.810 -10.542 1.00 0.00 C ATOM 768 CD LYS A 47 19.078 1.394 -9.329 1.00 0.00 C ATOM 769 CE LYS A 47 18.114 0.390 -8.712 1.00 0.00 C ATOM 770 NZ LYS A 47 17.434 0.941 -7.515 1.00 0.00 N ATOM 0 H LYS A 47 22.297 3.161 -12.809 1.00 0.00 H new ATOM 0 HA LYS A 47 22.007 0.308 -12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.471 2.114 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.222 2.697 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.045 0.527 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.311 -0.099 -10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.817 1.695 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.534 2.292 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.368 0.100 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.658 -0.514 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.786 0.227 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.144 1.194 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.894 1.789 -7.782 1.00 0.00 H new ATOM 784 N ASN A 48 20.296 2.110 -14.218 1.00 0.00 N ATOM 785 CA ASN A 48 19.428 2.062 -15.378 1.00 0.00 C ATOM 786 C ASN A 48 20.158 2.621 -16.572 1.00 0.00 C ATOM 787 O ASN A 48 20.093 3.825 -16.853 1.00 0.00 O ATOM 788 CB ASN A 48 18.156 2.876 -15.163 1.00 0.00 C ATOM 789 CG ASN A 48 17.396 2.517 -13.905 1.00 0.00 C ATOM 790 OD1 ASN A 48 16.544 1.634 -13.912 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.679 3.215 -12.820 1.00 0.00 N ATOM 0 H ASN A 48 20.641 3.044 -13.997 1.00 0.00 H new ATOM 0 HA ASN A 48 19.151 1.021 -15.543 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.416 3.934 -15.127 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.500 2.738 -16.022 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.182 3.027 -11.949 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.394 3.942 -12.853 1.00 0.00 H new ATOM 798 N PRO A 49 20.883 1.774 -17.270 1.00 0.00 N ATOM 799 CA PRO A 49 21.648 2.164 -18.421 1.00 0.00 C ATOM 800 C PRO A 49 20.771 2.661 -19.577 1.00 0.00 C ATOM 801 O PRO A 49 21.172 3.546 -20.341 1.00 0.00 O ATOM 802 CB PRO A 49 22.359 0.872 -18.812 1.00 0.00 C ATOM 803 CG PRO A 49 21.533 -0.186 -18.235 1.00 0.00 C ATOM 804 CD PRO A 49 21.009 0.366 -16.986 1.00 0.00 C ATOM 0 HA PRO A 49 22.317 2.996 -18.203 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.434 0.772 -19.895 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.375 0.843 -18.418 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.724 -0.465 -18.911 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.120 -1.086 -18.051 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.049 -0.078 -16.722 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.685 0.183 -16.151 1.00 0.00 H new ATOM 812 N ASN A 50 19.571 2.096 -19.692 1.00 0.00 N ATOM 813 CA ASN A 50 18.650 2.460 -20.770 1.00 0.00 C ATOM 814 C ASN A 50 18.112 3.871 -20.566 1.00 0.00 C ATOM 815 O ASN A 50 17.815 4.587 -21.528 1.00 0.00 O ATOM 816 CB ASN A 50 17.506 1.432 -20.895 1.00 0.00 C ATOM 817 CG ASN A 50 16.556 1.731 -22.045 1.00 0.00 C ATOM 818 OD1 ASN A 50 15.539 2.409 -21.874 1.00 0.00 O ATOM 819 ND2 ASN A 50 16.876 1.221 -23.222 1.00 0.00 N ATOM 0 H ASN A 50 19.213 1.385 -19.054 1.00 0.00 H new ATOM 0 HA ASN A 50 19.203 2.447 -21.709 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.932 0.438 -21.033 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.942 1.410 -19.962 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.273 1.383 -24.029 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.726 0.666 -23.323 1.00 0.00 H new ATOM 826 N GLU A 51 18.020 4.284 -19.313 1.00 0.00 N ATOM 827 CA GLU A 51 17.526 5.607 -18.976 1.00 0.00 C ATOM 828 C GLU A 51 18.646 6.636 -19.004 1.00 0.00 C ATOM 829 O GLU A 51 18.403 7.840 -18.871 1.00 0.00 O ATOM 830 CB GLU A 51 16.831 5.610 -17.599 1.00 0.00 C ATOM 831 CG GLU A 51 15.452 4.941 -17.572 1.00 0.00 C ATOM 832 CD GLU A 51 15.468 3.423 -17.724 1.00 0.00 C ATOM 833 OE1 GLU A 51 16.557 2.805 -17.681 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.376 2.837 -17.868 1.00 0.00 O ATOM 0 H GLU A 51 18.283 3.717 -18.507 1.00 0.00 H new ATOM 0 HA GLU A 51 16.790 5.881 -19.732 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.478 5.106 -16.881 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.725 6.642 -17.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.962 5.192 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.844 5.365 -18.371 1.00 0.00 H new ATOM 841 N GLY A 52 19.873 6.163 -19.211 1.00 0.00 N ATOM 842 CA GLY A 52 21.014 7.055 -19.289 1.00 0.00 C ATOM 843 C GLY A 52 20.935 7.966 -20.498 1.00 0.00 C ATOM 844 O GLY A 52 21.510 9.053 -20.503 1.00 0.00 O ATOM 0 H GLY A 52 20.096 5.174 -19.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.067 7.658 -18.382 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.931 6.468 -19.335 1.00 0.00 H new ATOM 848 N GLU A 53 20.220 7.516 -21.533 1.00 0.00 N ATOM 849 CA GLU A 53 20.028 8.313 -22.733 1.00 0.00 C ATOM 850 C GLU A 53 19.261 9.583 -22.372 1.00 0.00 C ATOM 851 O GLU A 53 19.620 10.686 -22.793 1.00 0.00 O ATOM 852 CB GLU A 53 19.257 7.503 -23.783 1.00 0.00 C ATOM 853 CG GLU A 53 19.199 8.156 -25.156 1.00 0.00 C ATOM 854 CD GLU A 53 20.563 8.228 -25.825 1.00 0.00 C ATOM 855 OE1 GLU A 53 20.946 7.257 -26.510 1.00 0.00 O ATOM 856 OE2 GLU A 53 21.254 9.254 -25.674 1.00 0.00 O ATOM 0 H GLU A 53 19.767 6.602 -21.557 1.00 0.00 H new ATOM 0 HA GLU A 53 20.997 8.585 -23.152 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.720 6.521 -23.880 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.240 7.342 -23.426 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.515 7.595 -25.793 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.792 9.162 -25.059 1.00 0.00 H new ATOM 863 N LYS A 54 18.204 9.411 -21.577 1.00 0.00 N ATOM 864 CA LYS A 54 17.417 10.514 -21.079 1.00 0.00 C ATOM 865 C LYS A 54 18.217 11.325 -20.067 1.00 0.00 C ATOM 866 O LYS A 54 18.117 12.555 -20.007 1.00 0.00 O ATOM 867 CB LYS A 54 16.115 10.022 -20.468 1.00 0.00 C ATOM 868 CG LYS A 54 15.104 9.533 -21.494 1.00 0.00 C ATOM 869 CD LYS A 54 13.806 9.157 -20.838 1.00 0.00 C ATOM 870 CE LYS A 54 12.790 8.671 -21.863 1.00 0.00 C ATOM 871 NZ LYS A 54 11.485 8.316 -21.245 1.00 0.00 N ATOM 0 H LYS A 54 17.878 8.496 -21.266 1.00 0.00 H new ATOM 0 HA LYS A 54 17.168 11.162 -21.920 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.334 9.212 -19.772 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.669 10.829 -19.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.928 10.312 -22.235 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.509 8.672 -22.026 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.982 8.376 -20.099 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.404 10.017 -20.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.635 9.447 -22.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.191 7.801 -22.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.828 7.991 -21.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.626 7.557 -20.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.087 9.151 -20.771 1.00 0.00 H new ATOM 885 N PHE A 55 19.026 10.622 -19.280 1.00 0.00 N ATOM 886 CA PHE A 55 19.841 11.249 -18.248 1.00 0.00 C ATOM 887 C PHE A 55 20.848 12.227 -18.856 1.00 0.00 C ATOM 888 O PHE A 55 21.313 13.144 -18.187 1.00 0.00 O ATOM 889 CB PHE A 55 20.557 10.187 -17.404 1.00 0.00 C ATOM 890 CG PHE A 55 21.122 10.717 -16.117 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.307 10.902 -15.014 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.465 11.031 -16.009 1.00 0.00 C ATOM 893 CE1 PHE A 55 20.820 11.392 -13.828 1.00 0.00 C ATOM 894 CE2 PHE A 55 22.986 11.523 -14.828 1.00 0.00 C ATOM 895 CZ PHE A 55 22.163 11.703 -13.732 1.00 0.00 C ATOM 0 H PHE A 55 19.134 9.609 -19.340 1.00 0.00 H new ATOM 0 HA PHE A 55 19.177 11.816 -17.596 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.857 9.382 -17.179 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.364 9.752 -17.993 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.257 10.660 -15.081 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.115 10.890 -16.860 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.171 11.532 -12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.036 11.767 -14.761 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.567 12.084 -12.806 1.00 0.00 H new ATOM 905 N LYS A 56 21.177 12.026 -20.123 1.00 0.00 N ATOM 906 CA LYS A 56 22.065 12.937 -20.837 1.00 0.00 C ATOM 907 C LYS A 56 21.454 14.342 -20.835 1.00 0.00 C ATOM 908 O LYS A 56 22.139 15.335 -20.596 1.00 0.00 O ATOM 909 CB LYS A 56 22.256 12.469 -22.276 1.00 0.00 C ATOM 910 CG LYS A 56 23.184 13.351 -23.083 1.00 0.00 C ATOM 911 CD LYS A 56 23.245 12.909 -24.531 1.00 0.00 C ATOM 912 CE LYS A 56 24.150 13.809 -25.342 1.00 0.00 C ATOM 913 NZ LYS A 56 24.088 13.490 -26.786 1.00 0.00 N ATOM 0 H LYS A 56 20.843 11.240 -20.680 1.00 0.00 H new ATOM 0 HA LYS A 56 23.035 12.953 -20.339 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.649 11.453 -22.269 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.284 12.431 -22.769 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.843 14.385 -23.031 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.184 13.323 -22.650 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.606 11.882 -24.585 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.242 12.917 -24.959 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.863 14.849 -25.186 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.176 13.705 -24.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.721 14.127 -27.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.386 12.505 -26.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.113 13.613 -27.127 1.00 0.00 H new ATOM 927 N GLN A 57 20.149 14.399 -21.083 1.00 0.00 N ATOM 928 CA GLN A 57 19.402 15.625 -21.083 1.00 0.00 C ATOM 929 C GLN A 57 19.436 16.248 -19.703 1.00 0.00 C ATOM 930 O GLN A 57 19.602 17.465 -19.551 1.00 0.00 O ATOM 931 CB GLN A 57 17.978 15.305 -21.446 1.00 0.00 C ATOM 932 CG GLN A 57 17.811 14.788 -22.852 1.00 0.00 C ATOM 933 CD GLN A 57 16.370 14.469 -23.193 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.445 15.041 -22.627 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.175 13.550 -24.114 1.00 0.00 N ATOM 0 H GLN A 57 19.584 13.575 -21.291 1.00 0.00 H new ATOM 0 HA GLN A 57 19.834 16.325 -21.798 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.593 14.562 -20.747 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.371 16.202 -21.324 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.190 15.530 -23.555 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.417 13.891 -22.979 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.973 13.098 -24.561 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.226 13.289 -24.381 1.00 0.00 H new ATOM 944 N ILE A 58 19.298 15.398 -18.702 1.00 0.00 N ATOM 945 CA ILE A 58 19.325 15.819 -17.318 1.00 0.00 C ATOM 946 C ILE A 58 20.680 16.434 -16.979 1.00 0.00 C ATOM 947 O ILE A 58 20.759 17.466 -16.319 1.00 0.00 O ATOM 948 CB ILE A 58 19.035 14.628 -16.371 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.594 14.165 -16.529 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.304 15.005 -14.942 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.270 12.877 -15.797 1.00 0.00 C ATOM 0 H ILE A 58 19.164 14.395 -18.829 1.00 0.00 H new ATOM 0 HA ILE A 58 18.546 16.569 -17.178 1.00 0.00 H new ATOM 0 HB ILE A 58 19.700 13.808 -16.642 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.930 14.951 -16.169 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.382 14.030 -17.590 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.093 14.153 -14.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.349 15.294 -14.833 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.665 15.842 -14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.224 12.618 -15.962 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.906 12.075 -16.173 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.447 13.011 -14.730 1.00 0.00 H new ATOM 963 N SER A 59 21.736 15.791 -17.449 1.00 0.00 N ATOM 964 CA SER A 59 23.085 16.257 -17.212 1.00 0.00 C ATOM 965 C SER A 59 23.294 17.675 -17.793 1.00 0.00 C ATOM 966 O SER A 59 23.894 18.540 -17.144 1.00 0.00 O ATOM 967 CB SER A 59 24.092 15.269 -17.815 1.00 0.00 C ATOM 968 OG SER A 59 25.427 15.673 -17.564 1.00 0.00 O ATOM 0 H SER A 59 21.679 14.936 -18.002 1.00 0.00 H new ATOM 0 HA SER A 59 23.248 16.314 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.926 14.277 -17.396 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.930 15.192 -18.890 1.00 0.00 H new ATOM 0 HG SER A 59 26.045 15.023 -17.959 1.00 0.00 H new ATOM 974 N GLN A 60 22.792 17.902 -19.012 1.00 0.00 N ATOM 975 CA GLN A 60 22.899 19.197 -19.660 1.00 0.00 C ATOM 976 C GLN A 60 22.130 20.256 -18.891 1.00 0.00 C ATOM 977 O GLN A 60 22.636 21.370 -18.648 1.00 0.00 O ATOM 978 CB GLN A 60 22.376 19.094 -21.067 1.00 0.00 C ATOM 979 CG GLN A 60 23.225 18.232 -21.968 1.00 0.00 C ATOM 980 CD GLN A 60 22.655 18.066 -23.370 1.00 0.00 C ATOM 981 OE1 GLN A 60 21.848 18.875 -23.840 1.00 0.00 O ATOM 982 NE2 GLN A 60 23.088 17.028 -24.057 1.00 0.00 N ATOM 0 H GLN A 60 22.307 17.196 -19.565 1.00 0.00 H new ATOM 0 HA GLN A 60 23.948 19.494 -19.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.364 18.690 -21.040 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.308 20.094 -21.494 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.222 18.668 -22.040 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.339 17.248 -21.513 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.755 16.380 -23.637 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.757 16.872 -25.009 1.00 0.00 H new ATOM 991 N ALA A 61 20.915 19.903 -18.493 1.00 0.00 N ATOM 992 CA ALA A 61 20.088 20.800 -17.698 1.00 0.00 C ATOM 993 C ALA A 61 20.813 21.164 -16.426 1.00 0.00 C ATOM 994 O ALA A 61 20.953 22.320 -16.112 1.00 0.00 O ATOM 995 CB ALA A 61 18.733 20.155 -17.370 1.00 0.00 C ATOM 0 H ALA A 61 20.482 19.005 -18.707 1.00 0.00 H new ATOM 0 HA ALA A 61 19.899 21.703 -18.278 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.135 20.846 -16.776 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.206 19.924 -18.296 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.894 19.237 -16.805 1.00 0.00 H new ATOM 1001 N TYR A 62 21.325 20.161 -15.733 1.00 0.00 N ATOM 1002 CA TYR A 62 22.025 20.380 -14.483 1.00 0.00 C ATOM 1003 C TYR A 62 23.226 21.291 -14.677 1.00 0.00 C ATOM 1004 O TYR A 62 23.487 22.145 -13.848 1.00 0.00 O ATOM 1005 CB TYR A 62 22.454 19.049 -13.866 1.00 0.00 C ATOM 1006 CG TYR A 62 23.239 19.179 -12.565 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.633 19.648 -11.406 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.578 18.816 -12.498 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.335 19.749 -10.220 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.292 18.915 -11.319 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.663 19.382 -10.180 1.00 0.00 C ATOM 1012 OH TYR A 62 25.364 19.480 -8.993 1.00 0.00 O ATOM 0 H TYR A 62 21.267 19.183 -16.018 1.00 0.00 H new ATOM 0 HA TYR A 62 21.337 20.874 -13.797 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.565 18.446 -13.681 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.062 18.507 -14.590 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.593 19.939 -11.433 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.071 18.449 -13.386 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.846 20.114 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.333 18.630 -11.288 1.00 0.00 H new ATOM 0 HH TYR A 62 26.287 19.182 -9.133 1.00 0.00 H new ATOM 1022 N GLU A 63 23.946 21.101 -15.778 1.00 0.00 N ATOM 1023 CA GLU A 63 25.135 21.893 -16.065 1.00 0.00 C ATOM 1024 C GLU A 63 24.861 23.403 -15.971 1.00 0.00 C ATOM 1025 O GLU A 63 25.459 24.093 -15.150 1.00 0.00 O ATOM 1026 CB GLU A 63 25.705 21.514 -17.436 1.00 0.00 C ATOM 1027 CG GLU A 63 26.955 22.286 -17.825 1.00 0.00 C ATOM 1028 CD GLU A 63 28.087 22.115 -16.836 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.848 21.141 -16.957 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.226 22.974 -15.938 1.00 0.00 O ATOM 0 H GLU A 63 23.725 20.403 -16.488 1.00 0.00 H new ATOM 0 HA GLU A 63 25.880 21.664 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.934 20.448 -17.440 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.939 21.679 -18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.287 21.957 -18.810 1.00 0.00 H new ATOM 0 HG3 GLU A 63 26.710 23.345 -17.909 1.00 0.00 H new ATOM 1037 N VAL A 64 23.950 23.899 -16.777 1.00 0.00 N ATOM 1038 CA VAL A 64 23.626 25.318 -16.780 1.00 0.00 C ATOM 1039 C VAL A 64 22.662 25.714 -15.648 1.00 0.00 C ATOM 1040 O VAL A 64 22.774 26.795 -15.093 1.00 0.00 O ATOM 1041 CB VAL A 64 23.124 25.756 -18.166 1.00 0.00 C ATOM 1042 CG1 VAL A 64 23.054 24.570 -19.086 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.808 26.483 -18.087 1.00 0.00 C ATOM 0 H VAL A 64 23.415 23.343 -17.444 1.00 0.00 H new ATOM 0 HA VAL A 64 24.547 25.864 -16.574 1.00 0.00 H new ATOM 0 HB VAL A 64 23.840 26.468 -18.577 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.697 24.890 -20.065 1.00 0.00 H new ATOM 0 HG12 VAL A 64 24.046 24.129 -19.187 1.00 0.00 H new ATOM 0 HG13 VAL A 64 22.368 23.830 -18.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.492 26.773 -19.089 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.057 25.829 -17.645 1.00 0.00 H new ATOM 0 HG23 VAL A 64 21.921 27.374 -17.470 1.00 0.00 H new ATOM 1053 N LEU A 65 21.741 24.826 -15.300 1.00 0.00 N ATOM 1054 CA LEU A 65 20.753 25.095 -14.235 1.00 0.00 C ATOM 1055 C LEU A 65 21.414 25.222 -12.850 1.00 0.00 C ATOM 1056 O LEU A 65 20.869 25.851 -11.960 1.00 0.00 O ATOM 1057 CB LEU A 65 19.612 24.045 -14.245 1.00 0.00 C ATOM 1058 CG LEU A 65 18.403 24.360 -15.187 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.843 24.684 -16.608 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.425 23.199 -15.221 1.00 0.00 C ATOM 0 H LEU A 65 21.648 23.908 -15.734 1.00 0.00 H new ATOM 0 HA LEU A 65 20.301 26.064 -14.450 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.033 23.082 -14.535 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.236 23.935 -13.228 1.00 0.00 H new ATOM 0 HG LEU A 65 17.914 25.242 -14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.967 24.895 -17.221 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.496 25.556 -16.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.381 23.833 -17.025 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.594 23.443 -15.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.932 22.307 -15.589 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.046 23.013 -14.216 1.00 0.00 H new ATOM 1072 N SER A 66 22.600 24.635 -12.686 1.00 0.00 N ATOM 1073 CA SER A 66 23.321 24.714 -11.407 1.00 0.00 C ATOM 1074 C SER A 66 23.827 26.125 -11.131 1.00 0.00 C ATOM 1075 O SER A 66 24.027 26.504 -9.979 1.00 0.00 O ATOM 1076 CB SER A 66 24.502 23.753 -11.393 1.00 0.00 C ATOM 1077 OG SER A 66 24.067 22.423 -11.322 1.00 0.00 O ATOM 0 H SER A 66 23.081 24.104 -13.412 1.00 0.00 H new ATOM 0 HA SER A 66 22.612 24.437 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.102 23.896 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.146 23.975 -10.542 1.00 0.00 H new ATOM 0 HG SER A 66 24.056 22.034 -12.221 1.00 0.00 H new ATOM 1083 N ASP A 67 24.042 26.891 -12.181 1.00 0.00 N ATOM 1084 CA ASP A 67 24.527 28.230 -12.050 1.00 0.00 C ATOM 1085 C ASP A 67 23.563 29.190 -12.687 1.00 0.00 C ATOM 1086 O ASP A 67 23.313 29.120 -13.891 1.00 0.00 O ATOM 1087 CB ASP A 67 25.877 28.358 -12.702 1.00 0.00 C ATOM 1088 CG ASP A 67 26.959 27.573 -11.988 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.360 27.982 -10.875 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.416 26.550 -12.541 1.00 0.00 O ATOM 0 H ASP A 67 23.883 26.594 -13.144 1.00 0.00 H new ATOM 0 HA ASP A 67 24.620 28.467 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.809 28.015 -13.734 1.00 0.00 H new ATOM 0 HB3 ASP A 67 26.160 29.410 -12.733 1.00 0.00 H new ATOM 1095 N ALA A 68 23.026 30.094 -11.893 1.00 0.00 N ATOM 1096 CA ALA A 68 22.050 31.056 -12.374 1.00 0.00 C ATOM 1097 C ALA A 68 22.567 31.844 -13.573 1.00 0.00 C ATOM 1098 O ALA A 68 21.784 32.297 -14.401 1.00 0.00 O ATOM 1099 CB ALA A 68 21.632 32.001 -11.256 1.00 0.00 C ATOM 0 H ALA A 68 23.251 30.184 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 68 21.177 30.493 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.901 32.714 -11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.190 31.428 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.506 32.539 -10.889 1.00 0.00 H new ATOM 1105 N LYS A 69 23.885 32.013 -13.660 1.00 0.00 N ATOM 1106 CA LYS A 69 24.471 32.766 -14.751 1.00 0.00 C ATOM 1107 C LYS A 69 24.298 32.041 -16.090 1.00 0.00 C ATOM 1108 O LYS A 69 23.790 32.624 -17.037 1.00 0.00 O ATOM 1109 CB LYS A 69 25.949 33.069 -14.467 1.00 0.00 C ATOM 1110 CG LYS A 69 26.620 33.961 -15.509 1.00 0.00 C ATOM 1111 CD LYS A 69 28.032 34.339 -15.076 1.00 0.00 C ATOM 1112 CE LYS A 69 28.713 35.256 -16.086 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.009 34.562 -17.369 1.00 0.00 N ATOM 0 H LYS A 69 24.557 31.639 -12.990 1.00 0.00 H new ATOM 0 HA LYS A 69 23.940 33.715 -14.827 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.028 33.548 -13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.495 32.128 -14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.656 33.443 -16.467 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.027 34.864 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 69 27.993 34.834 -14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.627 33.434 -14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.074 36.117 -16.280 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.641 35.637 -15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.039 34.505 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 28.610 33.602 -17.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 28.586 35.093 -18.157 1.00 0.00 H new ATOM 1127 N LYS A 70 24.673 30.747 -16.156 1.00 0.00 N ATOM 1128 CA LYS A 70 24.539 29.994 -17.388 1.00 0.00 C ATOM 1129 C LYS A 70 23.076 29.843 -17.745 1.00 0.00 C ATOM 1130 O LYS A 70 22.691 29.929 -18.913 1.00 0.00 O ATOM 1131 CB LYS A 70 25.224 28.639 -17.260 1.00 0.00 C ATOM 1132 CG LYS A 70 26.727 28.771 -17.036 1.00 0.00 C ATOM 1133 CD LYS A 70 27.427 27.431 -16.920 1.00 0.00 C ATOM 1134 CE LYS A 70 27.005 26.690 -15.673 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.890 25.534 -15.369 1.00 0.00 N ATOM 0 H LYS A 70 25.064 30.221 -15.374 1.00 0.00 H new ATOM 0 HA LYS A 70 25.030 30.537 -18.195 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.782 28.087 -16.430 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.043 28.056 -18.163 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.164 29.333 -17.861 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.905 29.348 -16.128 1.00 0.00 H new ATOM 0 HD2 LYS A 70 27.202 26.825 -17.798 1.00 0.00 H new ATOM 0 HD3 LYS A 70 28.506 27.583 -16.906 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.008 27.378 -14.827 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.981 26.337 -15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 28.149 25.551 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 27.389 24.648 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.751 25.594 -15.949 1.00 0.00 H new ATOM 1149 N ARG A 71 22.260 29.631 -16.721 1.00 0.00 N ATOM 1150 CA ARG A 71 20.817 29.515 -16.880 1.00 0.00 C ATOM 1151 C ARG A 71 20.234 30.777 -17.509 1.00 0.00 C ATOM 1152 O ARG A 71 19.418 30.711 -18.430 1.00 0.00 O ATOM 1153 CB ARG A 71 20.168 29.301 -15.506 1.00 0.00 C ATOM 1154 CG ARG A 71 18.656 29.231 -15.551 1.00 0.00 C ATOM 1155 CD ARG A 71 18.054 29.105 -14.164 1.00 0.00 C ATOM 1156 NE ARG A 71 16.600 29.157 -14.210 1.00 0.00 N ATOM 1157 CZ ARG A 71 15.810 29.346 -13.148 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.334 29.411 -11.928 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.499 29.476 -13.306 1.00 0.00 N ATOM 0 H ARG A 71 22.580 29.535 -15.757 1.00 0.00 H new ATOM 0 HA ARG A 71 20.612 28.668 -17.534 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.553 28.378 -15.072 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.466 30.113 -14.843 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.265 30.125 -16.036 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.350 28.379 -16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.372 28.166 -13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.429 29.908 -13.529 1.00 0.00 H new ATOM 0 HE ARG A 71 16.151 29.041 -15.119 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.342 29.317 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.729 29.555 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.091 29.432 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.899 29.620 -12.494 1.00 0.00 H new ATOM 1173 N GLU A 72 20.681 31.914 -17.017 1.00 0.00 N ATOM 1174 CA GLU A 72 20.169 33.181 -17.434 1.00 0.00 C ATOM 1175 C GLU A 72 20.593 33.487 -18.852 1.00 0.00 C ATOM 1176 O GLU A 72 19.801 33.981 -19.650 1.00 0.00 O ATOM 1177 CB GLU A 72 20.664 34.260 -16.481 1.00 0.00 C ATOM 1178 CG GLU A 72 20.074 35.610 -16.743 1.00 0.00 C ATOM 1179 CD GLU A 72 20.545 36.657 -15.758 1.00 0.00 C ATOM 1180 OE1 GLU A 72 20.245 36.528 -14.555 1.00 0.00 O ATOM 1181 OE2 GLU A 72 21.234 37.612 -16.183 1.00 0.00 O ATOM 0 H GLU A 72 21.415 31.974 -16.312 1.00 0.00 H new ATOM 0 HA GLU A 72 19.080 33.153 -17.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.431 33.964 -15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.749 34.327 -16.554 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.334 35.925 -17.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.987 35.541 -16.701 1.00 0.00 H new ATOM 1188 N LEU A 73 21.839 33.176 -19.170 1.00 0.00 N ATOM 1189 CA LEU A 73 22.363 33.426 -20.470 1.00 0.00 C ATOM 1190 C LEU A 73 21.686 32.555 -21.502 1.00 0.00 C ATOM 1191 O LEU A 73 21.493 32.973 -22.637 1.00 0.00 O ATOM 1192 CB LEU A 73 23.864 33.225 -20.489 1.00 0.00 C ATOM 1193 CG LEU A 73 24.636 33.977 -19.407 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.114 33.951 -19.684 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.117 35.400 -19.242 1.00 0.00 C ATOM 0 H LEU A 73 22.501 32.745 -18.525 1.00 0.00 H new ATOM 0 HA LEU A 73 22.158 34.466 -20.725 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.073 32.160 -20.388 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.243 33.533 -21.463 1.00 0.00 H new ATOM 0 HG LEU A 73 24.471 33.464 -18.459 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.641 34.493 -18.899 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.462 32.918 -19.708 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.312 34.423 -20.647 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.688 35.908 -18.464 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.227 35.939 -20.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.064 35.373 -18.960 1.00 0.00 H new ATOM 1207 N TYR A 74 21.352 31.331 -21.116 1.00 0.00 N ATOM 1208 CA TYR A 74 20.657 30.424 -22.013 1.00 0.00 C ATOM 1209 C TYR A 74 19.304 31.012 -22.406 1.00 0.00 C ATOM 1210 O TYR A 74 18.954 31.068 -23.582 1.00 0.00 O ATOM 1211 CB TYR A 74 20.462 29.049 -21.358 1.00 0.00 C ATOM 1212 CG TYR A 74 19.875 28.027 -22.306 1.00 0.00 C ATOM 1213 CD1 TYR A 74 20.669 27.438 -23.276 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.533 27.664 -22.246 1.00 0.00 C ATOM 1215 CE1 TYR A 74 20.154 26.524 -24.164 1.00 0.00 C ATOM 1216 CE2 TYR A 74 18.008 26.740 -23.129 1.00 0.00 C ATOM 1217 CZ TYR A 74 18.824 26.175 -24.089 1.00 0.00 C ATOM 1218 OH TYR A 74 18.306 25.261 -24.981 1.00 0.00 O ATOM 0 H TYR A 74 21.551 30.947 -20.192 1.00 0.00 H new ATOM 0 HA TYR A 74 21.265 30.294 -22.908 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.422 28.687 -20.990 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.808 29.153 -20.493 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.714 27.702 -23.336 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.893 28.111 -21.499 1.00 0.00 H new ATOM 0 HE1 TYR A 74 20.789 26.082 -24.917 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.966 26.462 -23.069 1.00 0.00 H new ATOM 0 HH TYR A 74 19.008 24.632 -25.249 1.00 0.00 H new ATOM 1228 N ASP A 75 18.558 31.464 -21.408 1.00 0.00 N ATOM 1229 CA ASP A 75 17.240 32.083 -21.640 1.00 0.00 C ATOM 1230 C ASP A 75 17.363 33.429 -22.381 1.00 0.00 C ATOM 1231 O ASP A 75 16.409 33.894 -23.016 1.00 0.00 O ATOM 1232 CB ASP A 75 16.467 32.263 -20.322 1.00 0.00 C ATOM 1233 CG ASP A 75 15.761 30.987 -19.872 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.899 30.477 -20.630 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.044 30.502 -18.757 1.00 0.00 O ATOM 0 H ASP A 75 18.834 31.418 -20.427 1.00 0.00 H new ATOM 0 HA ASP A 75 16.677 31.401 -22.277 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.157 32.585 -19.542 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.730 33.057 -20.444 1.00 0.00 H new ATOM 1240 N LYS A 76 18.532 34.053 -22.291 1.00 0.00 N ATOM 1241 CA LYS A 76 18.802 35.317 -22.984 1.00 0.00 C ATOM 1242 C LYS A 76 19.428 35.081 -24.346 1.00 0.00 C ATOM 1243 O LYS A 76 19.655 36.024 -25.101 1.00 0.00 O ATOM 1244 CB LYS A 76 19.739 36.195 -22.167 1.00 0.00 C ATOM 1245 CG LYS A 76 19.106 36.858 -20.969 1.00 0.00 C ATOM 1246 CD LYS A 76 20.144 37.639 -20.198 1.00 0.00 C ATOM 1247 CE LYS A 76 19.521 38.422 -19.049 1.00 0.00 C ATOM 1248 NZ LYS A 76 20.536 39.154 -18.251 1.00 0.00 N ATOM 0 H LYS A 76 19.317 33.704 -21.741 1.00 0.00 H new ATOM 0 HA LYS A 76 17.842 35.818 -23.111 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.578 35.588 -21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.148 36.968 -22.818 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.306 37.523 -21.293 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.653 36.105 -20.324 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.897 36.955 -19.806 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.657 38.326 -20.871 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.795 39.131 -19.447 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.976 37.737 -18.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.065 39.873 -17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.043 38.485 -17.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.212 39.618 -18.891 1.00 0.00 H new ATOM 1262 N GLY A 77 19.722 33.843 -24.651 1.00 0.00 N ATOM 1263 CA GLY A 77 20.377 33.544 -25.885 1.00 0.00 C ATOM 1264 C GLY A 77 19.410 33.379 -27.031 1.00 0.00 C ATOM 1265 O GLY A 77 19.793 33.678 -28.178 1.00 0.00 O ATOM 1266 OXT GLY A 77 18.256 32.963 -26.794 1.00 0.00 O ATOM 0 H GLY A 77 19.517 33.035 -24.062 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.081 34.342 -26.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.959 32.629 -25.771 1.00 0.00 H new TER 1270 GLY A 77