USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 hydrogens (4 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 24 MET CE :methyl 180:sc= -0.37 (180deg=-0.37) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00251) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0846 K(o=-0.085,f=-2.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.109 USER MOD Single : A 46 SER OG : rot -54:sc= 1.66 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0977) USER MOD Single : A 55 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.42) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 60 ASN : amide:sc= -5.87! C(o=-5.9!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.311 14.341 -5.675 1.00 0.00 N ATOM 2 CA LEU A 1 3.076 13.262 -4.730 1.00 0.00 C ATOM 3 C LEU A 1 2.177 12.208 -5.379 1.00 0.00 C ATOM 4 O LEU A 1 0.977 12.162 -5.114 1.00 0.00 O ATOM 5 CB LEU A 1 2.525 13.814 -3.413 1.00 0.00 C ATOM 6 CG LEU A 1 3.546 14.465 -2.479 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.883 15.520 -1.591 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.288 13.409 -1.657 1.00 0.00 C ATOM 0 H1 LEU A 1 3.922 15.059 -5.237 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.776 13.963 -6.525 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.403 14.774 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 1 4.014 12.768 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.754 14.549 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.039 13.000 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 1 4.288 14.979 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.631 15.967 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.438 16.294 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.106 15.051 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.008 13.898 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.573 12.847 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.812 12.728 -2.328 1.00 0.00 H new ATOM 20 N LYS A 2 2.793 11.388 -6.218 1.00 0.00 N ATOM 21 CA LYS A 2 2.063 10.337 -6.907 1.00 0.00 C ATOM 22 C LYS A 2 2.403 8.986 -6.275 1.00 0.00 C ATOM 23 O LYS A 2 3.552 8.737 -5.914 1.00 0.00 O ATOM 24 CB LYS A 2 2.333 10.396 -8.412 1.00 0.00 C ATOM 25 CG LYS A 2 3.677 9.750 -8.754 1.00 0.00 C ATOM 26 CD LYS A 2 4.056 10.012 -10.214 1.00 0.00 C ATOM 27 CE LYS A 2 4.716 11.383 -10.371 1.00 0.00 C ATOM 28 NZ LYS A 2 5.101 11.614 -11.782 1.00 0.00 N ATOM 0 H LYS A 2 3.789 11.430 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 2 0.989 10.482 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.533 9.886 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.329 11.434 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.452 10.145 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.624 8.676 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.736 9.235 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.165 9.959 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.030 12.163 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.597 11.444 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.548 12.549 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.773 10.879 -12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.254 11.576 -12.384 1.00 0.00 H new ATOM 42 N CYS A 3 1.383 8.149 -6.159 1.00 0.00 N ATOM 43 CA CYS A 3 1.559 6.830 -5.576 1.00 0.00 C ATOM 44 C CYS A 3 0.726 5.833 -6.383 1.00 0.00 C ATOM 45 O CYS A 3 0.017 6.219 -7.311 1.00 0.00 O ATOM 46 CB CYS A 3 1.188 6.814 -4.092 1.00 0.00 C ATOM 47 SG CYS A 3 2.566 7.202 -2.952 1.00 0.00 S ATOM 0 H CYS A 3 0.431 8.359 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 3 2.610 6.546 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.384 7.531 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.794 5.829 -3.841 1.00 0.00 H new ATOM 52 N LYS A 4 0.839 4.569 -6.001 1.00 0.00 N ATOM 53 CA LYS A 4 0.105 3.514 -6.678 1.00 0.00 C ATOM 54 C LYS A 4 -1.254 3.328 -6.000 1.00 0.00 C ATOM 55 O LYS A 4 -1.393 3.570 -4.802 1.00 0.00 O ATOM 56 CB LYS A 4 0.942 2.234 -6.739 1.00 0.00 C ATOM 57 CG LYS A 4 2.243 2.466 -7.509 1.00 0.00 C ATOM 58 CD LYS A 4 2.998 1.152 -7.718 1.00 0.00 C ATOM 59 CE LYS A 4 4.380 1.404 -8.325 1.00 0.00 C ATOM 60 NZ LYS A 4 5.343 1.803 -7.274 1.00 0.00 N ATOM 0 H LYS A 4 1.428 4.252 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.090 3.790 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.169 1.895 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.367 1.442 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.022 2.920 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.873 3.168 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.104 0.634 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.423 0.498 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.733 0.503 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.314 2.186 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.276 1.970 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.013 2.675 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.418 1.045 -6.566 1.00 0.00 H new ATOM 74 N LYS A 5 -2.223 2.900 -6.796 1.00 0.00 N ATOM 75 CA LYS A 5 -3.566 2.680 -6.288 1.00 0.00 C ATOM 76 C LYS A 5 -3.722 1.210 -5.894 1.00 0.00 C ATOM 77 O LYS A 5 -2.738 0.476 -5.815 1.00 0.00 O ATOM 78 CB LYS A 5 -4.607 3.158 -7.302 1.00 0.00 C ATOM 79 CG LYS A 5 -4.487 4.664 -7.542 1.00 0.00 C ATOM 80 CD LYS A 5 -5.867 5.323 -7.598 1.00 0.00 C ATOM 81 CE LYS A 5 -6.405 5.590 -6.191 1.00 0.00 C ATOM 82 NZ LYS A 5 -7.839 5.952 -6.245 1.00 0.00 N ATOM 0 H LYS A 5 -2.104 2.700 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.735 3.272 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.475 2.624 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.608 2.922 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.896 5.117 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.955 4.846 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.804 6.260 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.560 4.679 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.270 4.705 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.838 6.396 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.189 6.130 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.959 6.810 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.378 5.171 -6.670 1.00 0.00 H new ATOM 96 N LEU A 6 -4.967 0.823 -5.656 1.00 0.00 N ATOM 97 CA LEU A 6 -5.265 -0.546 -5.272 1.00 0.00 C ATOM 98 C LEU A 6 -4.577 -1.506 -6.245 1.00 0.00 C ATOM 99 O LEU A 6 -3.990 -2.503 -5.828 1.00 0.00 O ATOM 100 CB LEU A 6 -6.777 -0.757 -5.167 1.00 0.00 C ATOM 101 CG LEU A 6 -7.486 0.020 -4.056 1.00 0.00 C ATOM 102 CD1 LEU A 6 -8.721 0.745 -4.595 1.00 0.00 C ATOM 103 CD2 LEU A 6 -7.828 -0.897 -2.879 1.00 0.00 C ATOM 0 H LEU A 6 -5.781 1.434 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.867 -0.757 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.229 -0.484 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.966 -1.820 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.803 0.783 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.206 1.289 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.420 1.446 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.418 0.017 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.331 -0.320 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.485 -1.697 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.912 -1.327 -2.475 1.00 0.00 H new ATOM 115 N VAL A 7 -4.671 -1.171 -7.523 1.00 0.00 N ATOM 116 CA VAL A 7 -4.065 -1.990 -8.559 1.00 0.00 C ATOM 117 C VAL A 7 -2.731 -1.369 -8.978 1.00 0.00 C ATOM 118 O VAL A 7 -2.650 -0.166 -9.217 1.00 0.00 O ATOM 119 CB VAL A 7 -5.038 -2.162 -9.727 1.00 0.00 C ATOM 120 CG1 VAL A 7 -4.484 -3.141 -10.763 1.00 0.00 C ATOM 121 CG2 VAL A 7 -6.415 -2.609 -9.232 1.00 0.00 C ATOM 0 H VAL A 7 -5.158 -0.343 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.854 -2.990 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.154 -1.192 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.195 -3.245 -11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.537 -2.764 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.324 -4.113 -10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.088 -2.724 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.323 -3.562 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.817 -1.860 -8.550 1.00 0.00 H new ATOM 131 N PRO A 8 -1.691 -2.242 -9.058 1.00 0.00 N ATOM 132 CA PRO A 8 -0.365 -1.792 -9.444 1.00 0.00 C ATOM 133 C PRO A 8 -0.295 -1.519 -10.948 1.00 0.00 C ATOM 134 O PRO A 8 0.563 -2.062 -11.642 1.00 0.00 O ATOM 135 CB PRO A 8 0.573 -2.902 -8.998 1.00 0.00 C ATOM 136 CG PRO A 8 -0.300 -4.131 -8.801 1.00 0.00 C ATOM 137 CD PRO A 8 -1.750 -3.675 -8.782 1.00 0.00 C ATOM 0 HA PRO A 8 -0.090 -0.845 -8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.344 -3.086 -9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.084 -2.634 -8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.136 -4.848 -9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.046 -4.634 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.340 -4.199 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.215 -3.874 -7.816 1.00 0.00 H new ATOM 145 N LEU A 9 -1.210 -0.677 -11.407 1.00 0.00 N ATOM 146 CA LEU A 9 -1.263 -0.326 -12.816 1.00 0.00 C ATOM 147 C LEU A 9 -1.613 1.157 -12.954 1.00 0.00 C ATOM 148 O LEU A 9 -0.985 1.878 -13.729 1.00 0.00 O ATOM 149 CB LEU A 9 -2.220 -1.255 -13.565 1.00 0.00 C ATOM 150 CG LEU A 9 -1.651 -2.616 -13.973 1.00 0.00 C ATOM 151 CD1 LEU A 9 -2.761 -3.661 -14.091 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.831 -2.503 -15.260 1.00 0.00 C ATOM 0 H LEU A 9 -1.920 -0.228 -10.828 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.288 -0.470 -13.281 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.096 -1.423 -12.939 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.563 -0.743 -14.464 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.974 -2.953 -13.188 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.330 -4.619 -14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.265 -3.767 -13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.481 -3.343 -14.845 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.438 -3.484 -15.528 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.466 -2.134 -16.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.004 -1.811 -15.105 1.00 0.00 H new ATOM 164 N PHE A 10 -2.614 1.570 -12.191 1.00 0.00 N ATOM 165 CA PHE A 10 -3.055 2.954 -12.218 1.00 0.00 C ATOM 166 C PHE A 10 -2.481 3.736 -11.034 1.00 0.00 C ATOM 167 O PHE A 10 -2.496 3.255 -9.902 1.00 0.00 O ATOM 168 CB PHE A 10 -4.581 2.940 -12.113 1.00 0.00 C ATOM 169 CG PHE A 10 -5.293 2.622 -13.429 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.537 1.330 -13.776 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.681 3.632 -14.253 1.00 0.00 C ATOM 172 CE1 PHE A 10 -6.198 1.035 -14.998 1.00 0.00 C ATOM 173 CE2 PHE A 10 -6.342 3.337 -15.475 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.586 2.045 -15.822 1.00 0.00 C ATOM 0 H PHE A 10 -3.133 0.970 -11.550 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.715 3.435 -13.135 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.877 2.204 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.919 3.912 -11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.228 0.528 -13.122 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.487 4.658 -13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.392 0.009 -15.273 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.651 4.139 -16.129 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.088 1.821 -16.752 1.00 0.00 H new ATOM 184 N SER A 11 -1.989 4.928 -11.337 1.00 0.00 N ATOM 185 CA SER A 11 -1.412 5.781 -10.312 1.00 0.00 C ATOM 186 C SER A 11 -2.157 7.116 -10.261 1.00 0.00 C ATOM 187 O SER A 11 -2.673 7.582 -11.276 1.00 0.00 O ATOM 188 CB SER A 11 0.079 6.015 -10.565 1.00 0.00 C ATOM 189 OG SER A 11 0.364 6.191 -11.950 1.00 0.00 O ATOM 0 H SER A 11 -1.978 5.323 -12.277 1.00 0.00 H new ATOM 0 HA SER A 11 -1.515 5.278 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.407 6.896 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.649 5.168 -10.182 1.00 0.00 H new ATOM 0 HG SER A 11 1.325 6.339 -12.070 1.00 0.00 H new ATOM 195 N LYS A 12 -2.190 7.694 -9.069 1.00 0.00 N ATOM 196 CA LYS A 12 -2.864 8.966 -8.873 1.00 0.00 C ATOM 197 C LYS A 12 -2.022 9.846 -7.947 1.00 0.00 C ATOM 198 O LYS A 12 -1.143 9.351 -7.243 1.00 0.00 O ATOM 199 CB LYS A 12 -4.295 8.745 -8.378 1.00 0.00 C ATOM 200 CG LYS A 12 -5.257 8.551 -9.552 1.00 0.00 C ATOM 201 CD LYS A 12 -6.704 8.799 -9.121 1.00 0.00 C ATOM 202 CE LYS A 12 -7.682 8.390 -10.224 1.00 0.00 C ATOM 203 NZ LYS A 12 -7.878 6.923 -10.225 1.00 0.00 N ATOM 0 H LYS A 12 -1.761 7.305 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.958 9.497 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.328 7.871 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.613 9.599 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.992 9.233 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.159 7.539 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.918 8.236 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.840 9.854 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.639 8.891 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.302 8.713 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.570 6.666 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.972 6.452 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.229 6.619 -9.295 1.00 0.00 H new ATOM 217 N THR A 13 -2.322 11.137 -7.976 1.00 0.00 N ATOM 218 CA THR A 13 -1.604 12.091 -7.147 1.00 0.00 C ATOM 219 C THR A 13 -2.520 12.641 -6.052 1.00 0.00 C ATOM 220 O THR A 13 -3.565 13.220 -6.345 1.00 0.00 O ATOM 221 CB THR A 13 -1.031 13.175 -8.062 1.00 0.00 C ATOM 222 OG1 THR A 13 0.100 12.555 -8.670 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.437 14.348 -7.280 1.00 0.00 C ATOM 0 H THR A 13 -3.052 11.544 -8.560 1.00 0.00 H new ATOM 0 HA THR A 13 -0.774 11.615 -6.624 1.00 0.00 H new ATOM 0 HB THR A 13 -1.815 13.541 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.531 13.188 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.045 15.088 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.212 14.804 -6.664 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.369 13.988 -6.641 1.00 0.00 H new ATOM 231 N CYS A 14 -2.094 12.442 -4.814 1.00 0.00 N ATOM 232 CA CYS A 14 -2.863 12.911 -3.673 1.00 0.00 C ATOM 233 C CYS A 14 -3.114 14.410 -3.848 1.00 0.00 C ATOM 234 O CYS A 14 -2.180 15.209 -3.805 1.00 0.00 O ATOM 235 CB CYS A 14 -2.160 12.600 -2.351 1.00 0.00 C ATOM 236 SG CYS A 14 -1.420 10.929 -2.248 1.00 0.00 S ATOM 0 H CYS A 14 -1.226 11.962 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.817 12.386 -3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.376 13.340 -2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.878 12.715 -1.539 1.00 0.00 H new ATOM 241 N PRO A 15 -4.415 14.756 -4.046 1.00 0.00 N ATOM 242 CA PRO A 15 -4.801 16.145 -4.227 1.00 0.00 C ATOM 243 C PRO A 15 -4.766 16.901 -2.897 1.00 0.00 C ATOM 244 O PRO A 15 -4.501 16.312 -1.850 1.00 0.00 O ATOM 245 CB PRO A 15 -6.189 16.090 -4.843 1.00 0.00 C ATOM 246 CG PRO A 15 -6.718 14.694 -4.555 1.00 0.00 C ATOM 247 CD PRO A 15 -5.548 13.837 -4.102 1.00 0.00 C ATOM 0 HA PRO A 15 -4.115 16.692 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.839 16.851 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.148 16.278 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.487 14.729 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.180 14.269 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.741 13.386 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.362 13.021 -4.800 1.00 0.00 H new ATOM 255 N ALA A 16 -5.036 18.195 -2.982 1.00 0.00 N ATOM 256 CA ALA A 16 -5.039 19.039 -1.799 1.00 0.00 C ATOM 257 C ALA A 16 -5.774 18.318 -0.667 1.00 0.00 C ATOM 258 O ALA A 16 -6.872 17.801 -0.864 1.00 0.00 O ATOM 259 CB ALA A 16 -5.671 20.391 -2.137 1.00 0.00 C ATOM 0 H ALA A 16 -5.254 18.680 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.021 19.231 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.673 21.024 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.095 20.875 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.696 20.239 -2.477 1.00 0.00 H new ATOM 265 N GLY A 17 -5.138 18.308 0.496 1.00 0.00 N ATOM 266 CA GLY A 17 -5.717 17.660 1.660 1.00 0.00 C ATOM 267 C GLY A 17 -4.872 16.462 2.098 1.00 0.00 C ATOM 268 O GLY A 17 -4.638 16.265 3.290 1.00 0.00 O ATOM 0 H GLY A 17 -4.227 18.739 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.792 18.375 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.730 17.330 1.431 1.00 0.00 H new ATOM 272 N LYS A 18 -4.437 15.693 1.111 1.00 0.00 N ATOM 273 CA LYS A 18 -3.622 14.520 1.379 1.00 0.00 C ATOM 274 C LYS A 18 -2.224 14.731 0.796 1.00 0.00 C ATOM 275 O LYS A 18 -2.078 15.291 -0.290 1.00 0.00 O ATOM 276 CB LYS A 18 -4.318 13.257 0.869 1.00 0.00 C ATOM 277 CG LYS A 18 -5.716 13.117 1.475 1.00 0.00 C ATOM 278 CD LYS A 18 -6.557 12.111 0.687 1.00 0.00 C ATOM 279 CE LYS A 18 -7.257 12.787 -0.493 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.513 13.433 -0.050 1.00 0.00 N ATOM 0 H LYS A 18 -4.634 15.859 0.124 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.501 14.377 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.391 13.292 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.720 12.381 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.636 12.795 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.213 14.087 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.920 11.305 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.300 11.658 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.596 13.531 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.473 12.050 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.975 13.887 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.149 12.716 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.299 14.151 0.671 1.00 0.00 H new ATOM 294 N ASN A 19 -1.230 14.270 1.542 1.00 0.00 N ATOM 295 CA ASN A 19 0.151 14.401 1.112 1.00 0.00 C ATOM 296 C ASN A 19 0.950 13.192 1.602 1.00 0.00 C ATOM 297 O ASN A 19 2.177 13.242 1.675 1.00 0.00 O ATOM 298 CB ASN A 19 0.793 15.661 1.697 1.00 0.00 C ATOM 299 CG ASN A 19 0.296 16.915 0.975 1.00 0.00 C ATOM 300 OD1 ASN A 19 0.853 17.352 -0.019 1.00 0.00 O ATOM 301 ND2 ASN A 19 -0.779 17.468 1.529 1.00 0.00 N ATOM 0 H ASN A 19 -1.354 13.805 2.441 1.00 0.00 H new ATOM 0 HA ASN A 19 0.161 14.463 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.560 15.732 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.878 15.594 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.187 18.310 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.196 17.051 2.361 1.00 0.00 H new ATOM 308 N LEU A 20 0.222 12.134 1.927 1.00 0.00 N ATOM 309 CA LEU A 20 0.848 10.914 2.409 1.00 0.00 C ATOM 310 C LEU A 20 0.258 9.715 1.663 1.00 0.00 C ATOM 311 O LEU A 20 -0.820 9.812 1.079 1.00 0.00 O ATOM 312 CB LEU A 20 0.724 10.813 3.930 1.00 0.00 C ATOM 313 CG LEU A 20 1.439 11.901 4.734 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.956 11.917 6.186 1.00 0.00 C ATOM 315 CD2 LEU A 20 2.958 11.746 4.638 1.00 0.00 C ATOM 0 H LEU A 20 -0.795 12.096 1.866 1.00 0.00 H new ATOM 0 HA LEU A 20 1.918 10.926 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.334 10.832 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.112 9.844 4.243 1.00 0.00 H new ATOM 0 HG LEU A 20 1.186 12.868 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.480 12.699 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.116 12.112 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.160 10.951 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.441 12.532 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.250 10.772 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.266 11.823 3.595 1.00 0.00 H new ATOM 327 N CYS A 21 0.991 8.612 1.707 1.00 0.00 N ATOM 328 CA CYS A 21 0.554 7.396 1.044 1.00 0.00 C ATOM 329 C CYS A 21 0.342 6.317 2.108 1.00 0.00 C ATOM 330 O CYS A 21 1.242 6.034 2.898 1.00 0.00 O ATOM 331 CB CYS A 21 1.548 6.950 -0.031 1.00 0.00 C ATOM 332 SG CYS A 21 1.834 8.169 -1.365 1.00 0.00 S ATOM 0 H CYS A 21 1.885 8.535 2.192 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.386 7.580 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.502 6.725 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.188 6.023 -0.477 1.00 0.00 H new ATOM 337 N TYR A 22 -0.853 5.745 2.095 1.00 0.00 N ATOM 338 CA TYR A 22 -1.195 4.704 3.049 1.00 0.00 C ATOM 339 C TYR A 22 -1.224 3.331 2.375 1.00 0.00 C ATOM 340 O TYR A 22 -1.584 3.218 1.204 1.00 0.00 O ATOM 341 CB TYR A 22 -2.598 5.041 3.556 1.00 0.00 C ATOM 342 CG TYR A 22 -3.724 4.407 2.737 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.933 3.043 2.790 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.532 5.198 1.945 1.00 0.00 C ATOM 345 CE1 TYR A 22 -4.993 2.446 2.020 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.591 4.600 1.175 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.770 3.254 1.250 1.00 0.00 C ATOM 348 OH TYR A 22 -6.771 2.690 0.522 1.00 0.00 O ATOM 0 H TYR A 22 -1.597 5.983 1.439 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.460 4.663 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.687 4.714 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.725 6.124 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.301 2.424 3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.370 6.265 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.167 1.381 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.230 5.207 0.551 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.244 3.387 0.021 1.00 0.00 H new ATOM 358 N LYS A 23 -0.842 2.322 3.143 1.00 0.00 N ATOM 359 CA LYS A 23 -0.820 0.960 2.635 1.00 0.00 C ATOM 360 C LYS A 23 -1.307 0.005 3.727 1.00 0.00 C ATOM 361 O LYS A 23 -0.847 0.072 4.866 1.00 0.00 O ATOM 362 CB LYS A 23 0.566 0.614 2.089 1.00 0.00 C ATOM 363 CG LYS A 23 1.466 0.052 3.192 1.00 0.00 C ATOM 364 CD LYS A 23 2.898 -0.138 2.688 1.00 0.00 C ATOM 365 CE LYS A 23 3.716 -0.982 3.667 1.00 0.00 C ATOM 366 NZ LYS A 23 5.078 -1.214 3.138 1.00 0.00 N ATOM 0 H LYS A 23 -0.545 2.420 4.114 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.504 0.857 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.472 -0.115 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.024 1.505 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.464 0.728 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.069 -0.902 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.882 -0.621 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.373 0.834 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.775 -0.477 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.218 -1.937 3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.620 -1.788 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.017 -1.716 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.556 -0.301 2.998 1.00 0.00 H new ATOM 380 N MET A 24 -2.232 -0.861 3.341 1.00 0.00 N ATOM 381 CA MET A 24 -2.786 -1.829 4.272 1.00 0.00 C ATOM 382 C MET A 24 -2.313 -3.245 3.938 1.00 0.00 C ATOM 383 O MET A 24 -2.470 -3.706 2.809 1.00 0.00 O ATOM 384 CB MET A 24 -4.314 -1.774 4.216 1.00 0.00 C ATOM 385 CG MET A 24 -4.934 -2.527 5.396 1.00 0.00 C ATOM 386 SD MET A 24 -5.629 -4.073 4.836 1.00 0.00 S ATOM 387 CE MET A 24 -7.368 -3.716 5.024 1.00 0.00 C ATOM 0 H MET A 24 -2.612 -0.913 2.396 1.00 0.00 H new ATOM 0 HA MET A 24 -2.441 -1.579 5.275 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.645 -0.735 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.663 -2.208 3.279 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.177 -2.714 6.157 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.709 -1.917 5.860 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.953 -4.583 4.716 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.582 -3.487 6.068 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.633 -2.860 4.403 1.00 0.00 H new ATOM 397 N PHE A 25 -1.743 -3.896 4.942 1.00 0.00 N ATOM 398 CA PHE A 25 -1.246 -5.251 4.769 1.00 0.00 C ATOM 399 C PHE A 25 -1.637 -6.134 5.956 1.00 0.00 C ATOM 400 O PHE A 25 -1.918 -5.631 7.042 1.00 0.00 O ATOM 401 CB PHE A 25 0.279 -5.161 4.695 1.00 0.00 C ATOM 402 CG PHE A 25 0.919 -4.447 5.887 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.923 -3.088 5.943 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.484 -5.170 6.890 1.00 0.00 C ATOM 405 CE1 PHE A 25 1.516 -2.424 7.049 1.00 0.00 C ATOM 406 CE2 PHE A 25 2.078 -4.507 7.997 1.00 0.00 C ATOM 407 CZ PHE A 25 2.081 -3.148 8.053 1.00 0.00 C ATOM 0 H PHE A 25 -1.614 -3.511 5.878 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.672 -5.692 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.689 -6.168 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.558 -4.639 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.475 -2.514 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.481 -6.249 6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.519 -1.345 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.527 -5.082 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.532 -2.643 8.895 1.00 0.00 H new ATOM 417 N MET A 26 -1.642 -7.435 5.707 1.00 0.00 N ATOM 418 CA MET A 26 -1.994 -8.393 6.742 1.00 0.00 C ATOM 419 C MET A 26 -0.756 -8.830 7.528 1.00 0.00 C ATOM 420 O MET A 26 0.279 -9.143 6.940 1.00 0.00 O ATOM 421 CB MET A 26 -2.651 -9.618 6.102 1.00 0.00 C ATOM 422 CG MET A 26 -4.168 -9.440 6.009 1.00 0.00 C ATOM 423 SD MET A 26 -4.625 -8.944 4.356 1.00 0.00 S ATOM 424 CE MET A 26 -6.378 -8.696 4.581 1.00 0.00 C ATOM 0 H MET A 26 -1.408 -7.848 4.804 1.00 0.00 H new ATOM 0 HA MET A 26 -2.690 -7.915 7.432 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.238 -9.778 5.106 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.421 -10.507 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.668 -10.373 6.269 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.499 -8.690 6.727 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.825 -8.381 3.638 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.839 -9.629 4.907 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.543 -7.927 5.336 1.00 0.00 H new ATOM 434 N VAL A 27 -0.902 -8.838 8.844 1.00 0.00 N ATOM 435 CA VAL A 27 0.191 -9.231 9.717 1.00 0.00 C ATOM 436 C VAL A 27 0.509 -10.711 9.493 1.00 0.00 C ATOM 437 O VAL A 27 0.207 -11.550 10.340 1.00 0.00 O ATOM 438 CB VAL A 27 -0.158 -8.908 11.171 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.942 -9.391 12.119 1.00 0.00 C ATOM 440 CG2 VAL A 27 -0.420 -7.412 11.353 1.00 0.00 C ATOM 0 H VAL A 27 -1.762 -8.578 9.328 1.00 0.00 H new ATOM 0 HA VAL A 27 1.092 -8.665 9.480 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.075 -9.441 11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.669 -9.149 13.146 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.060 -10.470 12.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.881 -8.898 11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.666 -7.210 12.395 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.472 -6.850 11.075 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.253 -7.109 10.718 1.00 0.00 H new ATOM 450 N ALA A 28 1.116 -10.986 8.347 1.00 0.00 N ATOM 451 CA ALA A 28 1.478 -12.350 8.001 1.00 0.00 C ATOM 452 C ALA A 28 2.468 -12.330 6.835 1.00 0.00 C ATOM 453 O ALA A 28 3.446 -13.076 6.834 1.00 0.00 O ATOM 454 CB ALA A 28 0.213 -13.148 7.679 1.00 0.00 C ATOM 0 H ALA A 28 1.366 -10.288 7.647 1.00 0.00 H new ATOM 0 HA ALA A 28 1.968 -12.842 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.485 -14.171 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.443 -13.156 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.305 -12.686 6.839 1.00 0.00 H new ATOM 460 N ALA A 29 2.180 -11.468 5.871 1.00 0.00 N ATOM 461 CA ALA A 29 3.033 -11.340 4.702 1.00 0.00 C ATOM 462 C ALA A 29 3.539 -9.900 4.599 1.00 0.00 C ATOM 463 O ALA A 29 3.036 -9.118 3.795 1.00 0.00 O ATOM 464 CB ALA A 29 2.260 -11.777 3.456 1.00 0.00 C ATOM 0 H ALA A 29 1.368 -10.851 5.876 1.00 0.00 H new ATOM 0 HA ALA A 29 3.904 -11.989 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.900 -11.681 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.949 -12.816 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.380 -11.146 3.334 1.00 0.00 H new ATOM 470 N PRO A 30 4.555 -9.586 5.448 1.00 0.00 N ATOM 471 CA PRO A 30 5.134 -8.254 5.460 1.00 0.00 C ATOM 472 C PRO A 30 6.037 -8.037 4.245 1.00 0.00 C ATOM 473 O PRO A 30 7.219 -7.728 4.392 1.00 0.00 O ATOM 474 CB PRO A 30 5.883 -8.163 6.780 1.00 0.00 C ATOM 475 CG PRO A 30 6.084 -9.596 7.245 1.00 0.00 C ATOM 476 CD PRO A 30 5.175 -10.487 6.414 1.00 0.00 C ATOM 0 HA PRO A 30 4.382 -7.468 5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.839 -7.656 6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.314 -7.591 7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.125 -9.894 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.846 -9.690 8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.740 -11.274 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.426 -10.978 7.035 1.00 0.00 H new ATOM 484 N HIS A 31 5.447 -8.208 3.071 1.00 0.00 N ATOM 485 CA HIS A 31 6.184 -8.035 1.830 1.00 0.00 C ATOM 486 C HIS A 31 5.224 -7.602 0.720 1.00 0.00 C ATOM 487 O HIS A 31 5.490 -6.636 0.007 1.00 0.00 O ATOM 488 CB HIS A 31 6.962 -9.305 1.479 1.00 0.00 C ATOM 489 CG HIS A 31 7.662 -9.246 0.143 1.00 0.00 C ATOM 490 ND1 HIS A 31 8.550 -8.240 -0.195 1.00 0.00 N ATOM 491 CD2 HIS A 31 7.597 -10.080 -0.935 1.00 0.00 C ATOM 492 CE1 HIS A 31 8.992 -8.467 -1.423 1.00 0.00 C ATOM 493 NE2 HIS A 31 8.400 -9.607 -1.880 1.00 0.00 N ATOM 0 H HIS A 31 4.467 -8.465 2.953 1.00 0.00 H new ATOM 0 HA HIS A 31 6.926 -7.246 1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.702 -9.493 2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.276 -10.152 1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.994 -10.973 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.697 -7.856 -1.967 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.550 -10.027 -2.797 1.00 0.00 H new ATOM 501 N VAL A 32 4.128 -8.339 0.608 1.00 0.00 N ATOM 502 CA VAL A 32 3.128 -8.043 -0.403 1.00 0.00 C ATOM 503 C VAL A 32 1.973 -7.271 0.238 1.00 0.00 C ATOM 504 O VAL A 32 1.361 -7.745 1.194 1.00 0.00 O ATOM 505 CB VAL A 32 2.677 -9.335 -1.087 1.00 0.00 C ATOM 506 CG1 VAL A 32 1.682 -9.042 -2.212 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.878 -10.126 -1.610 1.00 0.00 C ATOM 0 H VAL A 32 3.911 -9.140 1.201 1.00 0.00 H new ATOM 0 HA VAL A 32 3.550 -7.408 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 32 2.170 -9.948 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.378 -9.978 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.806 -8.540 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.153 -8.399 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.530 -11.040 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.426 -9.521 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.535 -10.382 -0.779 1.00 0.00 H new ATOM 517 N PRO A 33 1.703 -6.065 -0.329 1.00 0.00 N ATOM 518 CA PRO A 33 0.632 -5.223 0.178 1.00 0.00 C ATOM 519 C PRO A 33 -0.736 -5.766 -0.241 1.00 0.00 C ATOM 520 O PRO A 33 -0.821 -6.766 -0.952 1.00 0.00 O ATOM 521 CB PRO A 33 0.919 -3.841 -0.383 1.00 0.00 C ATOM 522 CG PRO A 33 1.868 -4.054 -1.552 1.00 0.00 C ATOM 523 CD PRO A 33 2.406 -5.472 -1.462 1.00 0.00 C ATOM 0 HA PRO A 33 0.597 -5.196 1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.000 -3.354 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.369 -3.198 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.349 -3.902 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.685 -3.333 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.215 -6.027 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.485 -5.477 -1.305 1.00 0.00 H new ATOM 531 N VAL A 34 -1.774 -5.082 0.218 1.00 0.00 N ATOM 532 CA VAL A 34 -3.134 -5.482 -0.100 1.00 0.00 C ATOM 533 C VAL A 34 -3.862 -4.314 -0.767 1.00 0.00 C ATOM 534 O VAL A 34 -4.366 -4.447 -1.882 1.00 0.00 O ATOM 535 CB VAL A 34 -3.840 -5.984 1.161 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.217 -6.561 0.826 1.00 0.00 C ATOM 537 CG2 VAL A 34 -2.980 -7.012 1.899 1.00 0.00 C ATOM 0 H VAL A 34 -1.700 -4.253 0.808 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.132 -6.311 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.986 -5.131 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.697 -6.911 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.833 -5.789 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.103 -7.395 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.505 -7.352 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.788 -7.862 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.034 -6.555 2.187 1.00 0.00 H new ATOM 547 N LYS A 35 -3.895 -3.195 -0.058 1.00 0.00 N ATOM 548 CA LYS A 35 -4.553 -2.005 -0.568 1.00 0.00 C ATOM 549 C LYS A 35 -3.550 -0.850 -0.606 1.00 0.00 C ATOM 550 O LYS A 35 -2.587 -0.834 0.159 1.00 0.00 O ATOM 551 CB LYS A 35 -5.812 -1.699 0.245 1.00 0.00 C ATOM 552 CG LYS A 35 -6.796 -2.870 0.195 1.00 0.00 C ATOM 553 CD LYS A 35 -7.303 -3.221 1.595 1.00 0.00 C ATOM 554 CE LYS A 35 -8.435 -4.248 1.527 1.00 0.00 C ATOM 555 NZ LYS A 35 -9.723 -3.580 1.233 1.00 0.00 N ATOM 0 H LYS A 35 -3.476 -3.088 0.866 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.893 -2.167 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.539 -1.492 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.291 -0.800 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.639 -2.614 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.310 -3.739 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.483 -3.618 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.655 -2.319 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.218 -4.987 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.504 -4.785 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.481 -4.291 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.936 -2.891 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.658 -3.088 0.319 1.00 0.00 H new ATOM 569 N ARG A 36 -3.811 0.089 -1.504 1.00 0.00 N ATOM 570 CA ARG A 36 -2.944 1.245 -1.652 1.00 0.00 C ATOM 571 C ARG A 36 -3.756 2.467 -2.086 1.00 0.00 C ATOM 572 O ARG A 36 -4.441 2.431 -3.107 1.00 0.00 O ATOM 573 CB ARG A 36 -1.844 0.980 -2.683 1.00 0.00 C ATOM 574 CG ARG A 36 -1.014 -0.245 -2.297 1.00 0.00 C ATOM 575 CD ARG A 36 -0.204 -0.757 -3.490 1.00 0.00 C ATOM 576 NE ARG A 36 1.152 -1.154 -3.049 1.00 0.00 N ATOM 577 CZ ARG A 36 2.129 -1.540 -3.880 1.00 0.00 C ATOM 578 NH1 ARG A 36 1.907 -1.584 -5.200 1.00 0.00 N ATOM 579 NH2 ARG A 36 3.329 -1.882 -3.390 1.00 0.00 N ATOM 0 H ARG A 36 -4.611 0.072 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.481 1.438 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.291 0.826 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.196 1.853 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.341 0.011 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.672 -1.035 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.711 -1.608 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.135 0.019 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 36 1.355 -1.132 -2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.994 -1.324 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.651 -1.878 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.498 -1.848 -2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.073 -2.176 -4.023 1.00 0.00 H new ATOM 593 N GLY A 37 -3.654 3.519 -1.288 1.00 0.00 N ATOM 594 CA GLY A 37 -4.371 4.750 -1.576 1.00 0.00 C ATOM 595 C GLY A 37 -3.674 5.953 -0.937 1.00 0.00 C ATOM 596 O GLY A 37 -2.586 5.820 -0.379 1.00 0.00 O ATOM 0 H GLY A 37 -3.085 3.545 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.436 4.893 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.392 4.676 -1.202 1.00 0.00 H new ATOM 600 N CYS A 38 -4.330 7.099 -1.041 1.00 0.00 N ATOM 601 CA CYS A 38 -3.787 8.325 -0.480 1.00 0.00 C ATOM 602 C CYS A 38 -4.474 8.584 0.863 1.00 0.00 C ATOM 603 O CYS A 38 -5.498 7.975 1.168 1.00 0.00 O ATOM 604 CB CYS A 38 -3.947 9.506 -1.440 1.00 0.00 C ATOM 605 SG CYS A 38 -2.723 9.560 -2.799 1.00 0.00 S ATOM 0 H CYS A 38 -5.232 7.205 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.714 8.212 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.947 9.472 -1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.877 10.432 -0.870 1.00 0.00 H new ATOM 610 N ILE A 39 -3.883 9.489 1.628 1.00 0.00 N ATOM 611 CA ILE A 39 -4.425 9.837 2.931 1.00 0.00 C ATOM 612 C ILE A 39 -3.788 11.142 3.412 1.00 0.00 C ATOM 613 O ILE A 39 -2.720 11.528 2.938 1.00 0.00 O ATOM 614 CB ILE A 39 -4.255 8.673 3.910 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.326 8.714 5.002 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.841 8.650 4.494 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.700 7.302 5.457 1.00 0.00 C ATOM 0 H ILE A 39 -3.034 9.992 1.371 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.499 10.012 2.862 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.391 7.742 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.961 9.289 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.212 9.226 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.747 7.813 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.116 8.537 3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.651 9.583 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.463 7.360 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.087 6.737 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.817 6.801 5.853 1.00 0.00 H new ATOM 629 N ASP A 40 -4.471 11.788 4.346 1.00 0.00 N ATOM 630 CA ASP A 40 -3.986 13.042 4.896 1.00 0.00 C ATOM 631 C ASP A 40 -3.434 12.798 6.302 1.00 0.00 C ATOM 632 O ASP A 40 -2.302 13.173 6.602 1.00 0.00 O ATOM 633 CB ASP A 40 -5.115 14.069 5.003 1.00 0.00 C ATOM 634 CG ASP A 40 -6.334 13.610 5.805 1.00 0.00 C ATOM 635 OD1 ASP A 40 -7.028 12.696 5.309 1.00 0.00 O ATOM 636 OD2 ASP A 40 -6.544 14.183 6.896 1.00 0.00 O ATOM 0 H ASP A 40 -5.357 11.466 4.736 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.212 13.425 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.719 14.976 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.440 14.335 3.997 1.00 0.00 H new ATOM 641 N VAL A 41 -4.260 12.171 7.127 1.00 0.00 N ATOM 642 CA VAL A 41 -3.868 11.872 8.494 1.00 0.00 C ATOM 643 C VAL A 41 -3.685 10.361 8.649 1.00 0.00 C ATOM 644 O VAL A 41 -4.594 9.588 8.351 1.00 0.00 O ATOM 645 CB VAL A 41 -4.893 12.453 9.470 1.00 0.00 C ATOM 646 CG1 VAL A 41 -6.176 11.620 9.479 1.00 0.00 C ATOM 647 CG2 VAL A 41 -4.305 12.568 10.878 1.00 0.00 C ATOM 0 H VAL A 41 -5.199 11.862 6.875 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.912 12.341 8.729 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.148 13.457 9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.887 12.055 10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.611 11.612 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.945 10.599 9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.054 12.984 11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.008 11.580 11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.434 13.222 10.856 1.00 0.00 H new ATOM 657 N CYS A 42 -2.503 9.985 9.114 1.00 0.00 N ATOM 658 CA CYS A 42 -2.188 8.581 9.312 1.00 0.00 C ATOM 659 C CYS A 42 -3.062 8.049 10.449 1.00 0.00 C ATOM 660 O CYS A 42 -2.952 8.504 11.587 1.00 0.00 O ATOM 661 CB CYS A 42 -0.698 8.368 9.589 1.00 0.00 C ATOM 662 SG CYS A 42 -0.102 6.661 9.309 1.00 0.00 S ATOM 0 H CYS A 42 -1.751 10.629 9.360 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.403 8.025 8.399 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.125 9.046 8.957 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.492 8.645 10.623 1.00 0.00 H new ATOM 667 N PRO A 43 -3.933 7.067 10.094 1.00 0.00 N ATOM 668 CA PRO A 43 -4.826 6.468 11.071 1.00 0.00 C ATOM 669 C PRO A 43 -4.067 5.509 11.991 1.00 0.00 C ATOM 670 O PRO A 43 -2.857 5.337 11.852 1.00 0.00 O ATOM 671 CB PRO A 43 -5.902 5.777 10.250 1.00 0.00 C ATOM 672 CG PRO A 43 -5.323 5.618 8.854 1.00 0.00 C ATOM 673 CD PRO A 43 -4.092 6.503 8.756 1.00 0.00 C ATOM 0 HA PRO A 43 -5.268 7.203 11.743 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.159 4.808 10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.817 6.369 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.060 4.577 8.666 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.058 5.902 8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.214 5.928 8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.226 7.286 8.010 1.00 0.00 H new ATOM 681 N LYS A 44 -4.810 4.910 12.910 1.00 0.00 N ATOM 682 CA LYS A 44 -4.222 3.973 13.853 1.00 0.00 C ATOM 683 C LYS A 44 -4.146 2.588 13.207 1.00 0.00 C ATOM 684 O LYS A 44 -4.904 2.284 12.288 1.00 0.00 O ATOM 685 CB LYS A 44 -4.989 3.993 15.177 1.00 0.00 C ATOM 686 CG LYS A 44 -4.197 3.287 16.280 1.00 0.00 C ATOM 687 CD LYS A 44 -4.784 3.596 17.659 1.00 0.00 C ATOM 688 CE LYS A 44 -6.140 2.912 17.843 1.00 0.00 C ATOM 689 NZ LYS A 44 -6.616 3.072 19.235 1.00 0.00 N ATOM 0 H LYS A 44 -5.813 5.055 13.022 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.202 4.268 14.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.188 5.024 15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.955 3.505 15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.208 2.211 16.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.155 3.605 16.245 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.095 3.261 18.435 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.897 4.674 17.777 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.867 3.340 17.152 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.056 1.853 17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.537 2.602 19.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.930 2.643 19.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.716 4.084 19.454 1.00 0.00 H new ATOM 703 N SER A 45 -3.223 1.784 13.715 1.00 0.00 N ATOM 704 CA SER A 45 -3.037 0.438 13.200 1.00 0.00 C ATOM 705 C SER A 45 -3.748 -0.571 14.103 1.00 0.00 C ATOM 706 O SER A 45 -4.051 -0.271 15.257 1.00 0.00 O ATOM 707 CB SER A 45 -1.551 0.092 13.084 1.00 0.00 C ATOM 708 OG SER A 45 -0.996 0.530 11.848 1.00 0.00 O ATOM 0 H SER A 45 -2.596 2.039 14.478 1.00 0.00 H new ATOM 0 HA SER A 45 -3.472 0.392 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.006 0.551 13.909 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.421 -0.986 13.178 1.00 0.00 H new ATOM 0 HG SER A 45 -0.046 0.292 11.813 1.00 0.00 H new ATOM 714 N SER A 46 -3.995 -1.747 13.544 1.00 0.00 N ATOM 715 CA SER A 46 -4.665 -2.802 14.286 1.00 0.00 C ATOM 716 C SER A 46 -3.778 -4.048 14.340 1.00 0.00 C ATOM 717 O SER A 46 -2.672 -4.051 13.801 1.00 0.00 O ATOM 718 CB SER A 46 -6.018 -3.142 13.659 1.00 0.00 C ATOM 719 OG SER A 46 -5.875 -3.766 12.386 1.00 0.00 O ATOM 0 H SER A 46 -3.743 -1.992 12.586 1.00 0.00 H new ATOM 0 HA SER A 46 -4.844 -2.446 15.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.571 -3.803 14.327 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.607 -2.231 13.552 1.00 0.00 H new ATOM 0 HG SER A 46 -5.312 -3.208 11.810 1.00 0.00 H new ATOM 725 N LEU A 47 -4.296 -5.076 14.996 1.00 0.00 N ATOM 726 CA LEU A 47 -3.565 -6.325 15.127 1.00 0.00 C ATOM 727 C LEU A 47 -3.811 -7.188 13.889 1.00 0.00 C ATOM 728 O LEU A 47 -3.060 -8.125 13.621 1.00 0.00 O ATOM 729 CB LEU A 47 -3.923 -7.019 16.443 1.00 0.00 C ATOM 730 CG LEU A 47 -3.323 -6.407 17.710 1.00 0.00 C ATOM 731 CD1 LEU A 47 -4.012 -5.086 18.059 1.00 0.00 C ATOM 732 CD2 LEU A 47 -3.366 -7.401 18.872 1.00 0.00 C ATOM 0 H LEU A 47 -5.213 -5.070 15.442 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.493 -6.136 15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.008 -7.024 16.545 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.604 -8.060 16.380 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.274 -6.182 17.518 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.567 -4.671 18.964 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.886 -4.382 17.237 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.075 -5.263 18.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.933 -6.941 19.760 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.400 -7.680 19.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.795 -8.292 18.610 1.00 0.00 H new ATOM 744 N LEU A 48 -4.866 -6.842 13.166 1.00 0.00 N ATOM 745 CA LEU A 48 -5.221 -7.574 11.962 1.00 0.00 C ATOM 746 C LEU A 48 -4.522 -6.938 10.759 1.00 0.00 C ATOM 747 O LEU A 48 -3.657 -7.557 10.140 1.00 0.00 O ATOM 748 CB LEU A 48 -6.742 -7.659 11.815 1.00 0.00 C ATOM 749 CG LEU A 48 -7.258 -8.545 10.680 1.00 0.00 C ATOM 750 CD1 LEU A 48 -7.146 -10.026 11.047 1.00 0.00 C ATOM 751 CD2 LEU A 48 -8.685 -8.158 10.287 1.00 0.00 C ATOM 0 H LEU A 48 -5.487 -6.064 13.391 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.872 -8.605 12.026 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.158 -8.026 12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.130 -6.651 11.667 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.628 -8.381 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.519 -10.634 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.102 -10.276 11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.736 -10.225 11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.027 -8.803 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.344 -8.274 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.702 -7.120 9.955 1.00 0.00 H new ATOM 763 N VAL A 49 -4.922 -5.710 10.463 1.00 0.00 N ATOM 764 CA VAL A 49 -4.344 -4.984 9.345 1.00 0.00 C ATOM 765 C VAL A 49 -3.535 -3.799 9.876 1.00 0.00 C ATOM 766 O VAL A 49 -3.928 -3.162 10.853 1.00 0.00 O ATOM 767 CB VAL A 49 -5.445 -4.566 8.368 1.00 0.00 C ATOM 768 CG1 VAL A 49 -6.056 -5.786 7.676 1.00 0.00 C ATOM 769 CG2 VAL A 49 -6.522 -3.740 9.075 1.00 0.00 C ATOM 0 H VAL A 49 -5.639 -5.200 10.978 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.658 -5.623 8.788 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.991 -3.938 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.836 -5.461 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.281 -6.317 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.487 -6.451 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.292 -3.456 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.970 -4.333 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.072 -2.842 9.499 1.00 0.00 H new ATOM 779 N LYS A 50 -2.420 -3.539 9.210 1.00 0.00 N ATOM 780 CA LYS A 50 -1.552 -2.441 9.602 1.00 0.00 C ATOM 781 C LYS A 50 -1.523 -1.396 8.486 1.00 0.00 C ATOM 782 O LYS A 50 -1.330 -1.733 7.319 1.00 0.00 O ATOM 783 CB LYS A 50 -0.168 -2.966 9.990 1.00 0.00 C ATOM 784 CG LYS A 50 -0.166 -3.498 11.425 1.00 0.00 C ATOM 785 CD LYS A 50 1.248 -3.886 11.864 1.00 0.00 C ATOM 786 CE LYS A 50 1.244 -4.457 13.283 1.00 0.00 C ATOM 787 NZ LYS A 50 0.935 -3.396 14.268 1.00 0.00 N ATOM 0 H LYS A 50 -2.097 -4.070 8.401 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.941 -1.946 10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.130 -3.759 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.568 -2.168 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.564 -2.739 12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.823 -4.364 11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.658 -4.623 11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.898 -3.012 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.507 -5.256 13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.216 -4.897 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.101 -3.756 15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.547 -2.573 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.061 -3.113 14.172 1.00 0.00 H new ATOM 801 N TYR A 51 -1.716 -0.147 8.884 1.00 0.00 N ATOM 802 CA TYR A 51 -1.714 0.951 7.931 1.00 0.00 C ATOM 803 C TYR A 51 -0.459 1.811 8.088 1.00 0.00 C ATOM 804 O TYR A 51 -0.434 2.738 8.897 1.00 0.00 O ATOM 805 CB TYR A 51 -2.944 1.799 8.263 1.00 0.00 C ATOM 806 CG TYR A 51 -4.274 1.127 7.917 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.799 1.248 6.647 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.949 0.400 8.877 1.00 0.00 C ATOM 809 CE1 TYR A 51 -6.052 0.616 6.322 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.202 -0.233 8.552 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.691 -0.093 7.291 1.00 0.00 C ATOM 812 OH TYR A 51 -7.874 -0.690 6.984 1.00 0.00 O ATOM 0 H TYR A 51 -1.875 0.129 9.853 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.730 0.572 6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.934 2.035 9.327 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.876 2.745 7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.270 1.817 5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.538 0.306 9.871 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.474 0.703 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.740 -0.805 9.293 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.216 -1.163 7.771 1.00 0.00 H new ATOM 822 N VAL A 52 0.554 1.473 7.303 1.00 0.00 N ATOM 823 CA VAL A 52 1.809 2.203 7.345 1.00 0.00 C ATOM 824 C VAL A 52 1.757 3.358 6.342 1.00 0.00 C ATOM 825 O VAL A 52 1.365 3.168 5.192 1.00 0.00 O ATOM 826 CB VAL A 52 2.978 1.248 7.096 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.218 2.010 6.624 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.286 0.421 8.346 1.00 0.00 C ATOM 0 H VAL A 52 0.531 0.703 6.634 1.00 0.00 H new ATOM 0 HA VAL A 52 1.965 2.637 8.333 1.00 0.00 H new ATOM 0 HB VAL A 52 2.685 0.560 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.034 1.308 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.991 2.534 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.513 2.732 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.121 -0.250 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.548 1.087 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.409 -0.165 8.620 1.00 0.00 H new ATOM 838 N CYS A 53 2.157 4.529 6.816 1.00 0.00 N ATOM 839 CA CYS A 53 2.161 5.714 5.975 1.00 0.00 C ATOM 840 C CYS A 53 3.614 6.114 5.715 1.00 0.00 C ATOM 841 O CYS A 53 4.495 5.831 6.526 1.00 0.00 O ATOM 842 CB CYS A 53 1.358 6.855 6.603 1.00 0.00 C ATOM 843 SG CYS A 53 -0.247 6.357 7.326 1.00 0.00 S ATOM 0 H CYS A 53 2.480 4.682 7.771 1.00 0.00 H new ATOM 0 HA CYS A 53 1.672 5.492 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.962 7.320 7.382 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.178 7.615 5.843 1.00 0.00 H new ATOM 848 N CYS A 54 3.821 6.767 4.581 1.00 0.00 N ATOM 849 CA CYS A 54 5.153 7.209 4.204 1.00 0.00 C ATOM 850 C CYS A 54 5.024 8.532 3.447 1.00 0.00 C ATOM 851 O CYS A 54 4.065 8.735 2.703 1.00 0.00 O ATOM 852 CB CYS A 54 5.889 6.150 3.380 1.00 0.00 C ATOM 853 SG CYS A 54 4.833 5.214 2.215 1.00 0.00 S ATOM 0 H CYS A 54 3.089 7.001 3.911 1.00 0.00 H new ATOM 0 HA CYS A 54 5.755 7.361 5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.685 6.637 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.366 5.446 4.062 1.00 0.00 H new ATOM 858 N ASN A 55 6.002 9.399 3.663 1.00 0.00 N ATOM 859 CA ASN A 55 6.010 10.697 3.011 1.00 0.00 C ATOM 860 C ASN A 55 7.031 10.684 1.871 1.00 0.00 C ATOM 861 O ASN A 55 7.850 11.594 1.757 1.00 0.00 O ATOM 862 CB ASN A 55 6.408 11.803 3.990 1.00 0.00 C ATOM 863 CG ASN A 55 7.744 11.483 4.665 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.810 11.841 4.192 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.626 10.790 5.794 1.00 0.00 N ATOM 0 H ASN A 55 6.795 9.228 4.281 1.00 0.00 H new ATOM 0 HA ASN A 55 5.005 10.892 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.482 12.753 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.633 11.920 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.459 10.526 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.702 10.522 6.134 1.00 0.00 H new ATOM 872 N THR A 56 6.947 9.643 1.056 1.00 0.00 N ATOM 873 CA THR A 56 7.853 9.500 -0.071 1.00 0.00 C ATOM 874 C THR A 56 7.078 9.118 -1.333 1.00 0.00 C ATOM 875 O THR A 56 6.066 8.423 -1.258 1.00 0.00 O ATOM 876 CB THR A 56 8.928 8.481 0.313 1.00 0.00 C ATOM 877 OG1 THR A 56 8.268 7.606 1.224 1.00 0.00 O ATOM 878 CG2 THR A 56 10.053 9.102 1.143 1.00 0.00 C ATOM 0 H THR A 56 6.265 8.890 1.154 1.00 0.00 H new ATOM 0 HA THR A 56 8.347 10.444 -0.304 1.00 0.00 H new ATOM 0 HB THR A 56 9.346 8.037 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.893 6.912 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.789 8.336 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.532 9.896 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.640 9.517 2.063 1.00 0.00 H new ATOM 886 N ASP A 57 7.582 9.590 -2.464 1.00 0.00 N ATOM 887 CA ASP A 57 6.950 9.307 -3.741 1.00 0.00 C ATOM 888 C ASP A 57 7.037 7.806 -4.027 1.00 0.00 C ATOM 889 O ASP A 57 8.053 7.175 -3.742 1.00 0.00 O ATOM 890 CB ASP A 57 7.653 10.047 -4.880 1.00 0.00 C ATOM 891 CG ASP A 57 7.547 11.572 -4.823 1.00 0.00 C ATOM 892 OD1 ASP A 57 8.420 12.178 -4.164 1.00 0.00 O ATOM 893 OD2 ASP A 57 6.595 12.099 -5.439 1.00 0.00 O ATOM 0 H ASP A 57 8.421 10.167 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 57 5.913 9.636 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.707 9.771 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.237 9.704 -5.827 1.00 0.00 H new ATOM 898 N LYS A 58 5.959 7.279 -4.588 1.00 0.00 N ATOM 899 CA LYS A 58 5.901 5.865 -4.916 1.00 0.00 C ATOM 900 C LYS A 58 6.533 5.056 -3.781 1.00 0.00 C ATOM 901 O LYS A 58 7.464 4.285 -4.006 1.00 0.00 O ATOM 902 CB LYS A 58 6.537 5.605 -6.283 1.00 0.00 C ATOM 903 CG LYS A 58 5.824 6.399 -7.379 1.00 0.00 C ATOM 904 CD LYS A 58 6.534 6.237 -8.725 1.00 0.00 C ATOM 905 CE LYS A 58 6.314 4.835 -9.296 1.00 0.00 C ATOM 906 NZ LYS A 58 7.563 4.045 -9.227 1.00 0.00 N ATOM 0 H LYS A 58 5.118 7.806 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 58 4.865 5.537 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.591 5.881 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.492 4.540 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.792 6.060 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.791 7.454 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.162 6.982 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.601 6.420 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.525 4.329 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.978 4.906 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.396 3.096 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.306 4.521 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.867 3.962 -8.236 1.00 0.00 H new ATOM 920 N CYS A 59 6.000 5.260 -2.585 1.00 0.00 N ATOM 921 CA CYS A 59 6.500 4.560 -1.414 1.00 0.00 C ATOM 922 C CYS A 59 5.558 3.392 -1.115 1.00 0.00 C ATOM 923 O CYS A 59 6.009 2.280 -0.842 1.00 0.00 O ATOM 924 CB CYS A 59 6.645 5.497 -0.213 1.00 0.00 C ATOM 925 SG CYS A 59 5.069 6.151 0.446 1.00 0.00 S ATOM 0 H CYS A 59 5.227 5.900 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 59 7.501 4.177 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.163 4.964 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.279 6.336 -0.500 1.00 0.00 H new ATOM 930 N ASN A 60 4.267 3.683 -1.176 1.00 0.00 N ATOM 931 CA ASN A 60 3.258 2.671 -0.915 1.00 0.00 C ATOM 932 C ASN A 60 3.083 1.798 -2.160 1.00 0.00 C ATOM 933 O ASN A 60 3.016 0.574 -2.060 1.00 0.00 O ATOM 934 CB ASN A 60 1.906 3.311 -0.593 1.00 0.00 C ATOM 935 CG ASN A 60 1.324 4.012 -1.822 1.00 0.00 C ATOM 936 OD1 ASN A 60 2.036 4.510 -2.679 1.00 0.00 O ATOM 937 ND2 ASN A 60 -0.005 4.024 -1.860 1.00 0.00 N ATOM 0 H ASN A 60 3.896 4.606 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 60 3.588 2.078 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.212 2.547 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.024 4.030 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.489 4.469 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.541 3.588 -1.109 1.00 0.00 H new TER 944 ASN A 60 HETATM 945 O HOH A 61 -0.208 -7.804 3.110 1.00 0.00 O HETATM 948 O HOH A 62 5.390 -14.298 7.910 1.00 0.00 O