USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.0164 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.7!) USER MOD Single : A 21 GLN : amide:sc= 0.14 X(o=0.14,f=-0.16) USER MOD Single : A 25 SER OG : rot -120:sc= -0.0326 USER MOD Single : A 27 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 28 GLN : amide:sc= -0.894 K(o=-0.89,f=-2.2!) USER MOD Single : A 32 GLN : amide:sc= -0.917 K(o=-0.92,f=-3.7!) USER MOD Single : A 44 LYS NZ :NH3+ 132:sc= 1.22 (180deg=0.107) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.558 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -0.0054 (180deg=-0.0947) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc=-1.07e-05 (180deg=-0.0509) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.087 3.803 -0.217 1.00 0.00 N ATOM 2 CA SER A 1 1.118 3.929 0.632 1.00 0.00 C ATOM 3 C SER A 1 2.380 3.724 -0.224 1.00 0.00 C ATOM 4 O SER A 1 3.144 4.669 -0.464 1.00 0.00 O ATOM 5 CB SER A 1 1.048 2.912 1.797 1.00 0.00 C ATOM 6 OG SER A 1 -0.169 3.040 2.517 1.00 0.00 O ATOM 0 H1 SER A 1 -0.881 3.455 0.357 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.330 4.732 -0.616 1.00 0.00 H new ATOM 0 H3 SER A 1 0.101 3.133 -0.990 1.00 0.00 H new ATOM 0 HA SER A 1 1.163 4.929 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.137 1.899 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.891 3.068 2.471 1.00 0.00 H new ATOM 0 HG SER A 1 -0.188 2.385 3.246 1.00 0.00 H new ATOM 14 N HIS A 2 2.572 2.482 -0.709 1.00 0.00 N ATOM 15 CA HIS A 2 3.676 2.122 -1.616 1.00 0.00 C ATOM 16 C HIS A 2 3.088 1.496 -2.892 1.00 0.00 C ATOM 17 O HIS A 2 2.674 0.328 -2.892 1.00 0.00 O ATOM 18 CB HIS A 2 4.694 1.158 -0.934 1.00 0.00 C ATOM 19 CG HIS A 2 5.443 1.782 0.214 1.00 0.00 C ATOM 20 ND1 HIS A 2 6.641 2.447 0.065 1.00 0.00 N ATOM 21 CD2 HIS A 2 5.128 1.873 1.533 1.00 0.00 C ATOM 22 CE1 HIS A 2 7.015 2.897 1.264 1.00 0.00 C ATOM 23 NE2 HIS A 2 6.131 2.577 2.190 1.00 0.00 N ATOM 0 H HIS A 2 1.962 1.697 -0.481 1.00 0.00 H new ATOM 0 HA HIS A 2 4.229 3.025 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.162 0.278 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.411 0.814 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.242 1.465 1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 2 7.923 3.451 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 2 6.175 2.800 3.184 1.00 0.00 H new ATOM 31 N MET A 3 2.991 2.319 -3.954 1.00 0.00 N ATOM 32 CA MET A 3 2.600 1.877 -5.313 1.00 0.00 C ATOM 33 C MET A 3 3.562 0.773 -5.836 1.00 0.00 C ATOM 34 O MET A 3 3.134 -0.215 -6.448 1.00 0.00 O ATOM 35 CB MET A 3 2.583 3.100 -6.283 1.00 0.00 C ATOM 36 CG MET A 3 3.891 3.904 -6.317 1.00 0.00 C ATOM 37 SD MET A 3 3.823 5.340 -7.400 1.00 0.00 S ATOM 38 CE MET A 3 5.405 6.097 -7.039 1.00 0.00 C ATOM 0 H MET A 3 3.183 3.319 -3.895 1.00 0.00 H new ATOM 0 HA MET A 3 1.598 1.450 -5.266 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.363 2.746 -7.290 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.770 3.766 -5.994 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.133 4.232 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.701 3.251 -6.642 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.518 7.004 -7.633 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.455 6.348 -5.980 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.206 5.400 -7.284 1.00 0.00 H new ATOM 48 N CYS A 4 4.860 0.970 -5.548 1.00 0.00 N ATOM 49 CA CYS A 4 5.968 0.075 -5.943 1.00 0.00 C ATOM 50 C CYS A 4 7.217 0.421 -5.107 1.00 0.00 C ATOM 51 O CYS A 4 7.325 1.550 -4.617 1.00 0.00 O ATOM 52 CB CYS A 4 6.337 0.247 -7.441 1.00 0.00 C ATOM 53 SG CYS A 4 5.011 -0.078 -8.634 1.00 0.00 S ATOM 0 H CYS A 4 5.180 1.781 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 4 5.643 -0.951 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.691 1.267 -7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.171 -0.417 -7.667 1.00 0.00 H new ATOM 58 N PRO A 5 8.209 -0.517 -4.958 1.00 0.00 N ATOM 59 CA PRO A 5 9.586 -0.168 -4.518 1.00 0.00 C ATOM 60 C PRO A 5 10.428 0.386 -5.703 1.00 0.00 C ATOM 61 O PRO A 5 11.624 0.098 -5.825 1.00 0.00 O ATOM 62 CB PRO A 5 10.152 -1.525 -3.983 1.00 0.00 C ATOM 63 CG PRO A 5 9.011 -2.503 -4.061 1.00 0.00 C ATOM 64 CD PRO A 5 8.071 -1.983 -5.119 1.00 0.00 C ATOM 0 HA PRO A 5 9.610 0.618 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.997 -1.861 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.510 -1.423 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.371 -3.499 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.505 -2.586 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.358 -2.313 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.047 -2.317 -4.955 1.00 0.00 H new ATOM 72 N ALA A 6 9.782 1.202 -6.560 1.00 0.00 N ATOM 73 CA ALA A 6 10.378 1.772 -7.767 1.00 0.00 C ATOM 74 C ALA A 6 10.026 3.267 -7.789 1.00 0.00 C ATOM 75 O ALA A 6 8.850 3.618 -7.956 1.00 0.00 O ATOM 76 CB ALA A 6 9.853 1.046 -9.025 1.00 0.00 C ATOM 0 H ALA A 6 8.812 1.484 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 6 11.461 1.646 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.307 1.484 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.111 -0.012 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.770 1.153 -9.081 1.00 0.00 H new ATOM 82 N VAL A 7 11.035 4.133 -7.549 1.00 0.00 N ATOM 83 CA VAL A 7 10.855 5.606 -7.530 1.00 0.00 C ATOM 84 C VAL A 7 10.431 6.085 -8.929 1.00 0.00 C ATOM 85 O VAL A 7 9.513 6.902 -9.076 1.00 0.00 O ATOM 86 CB VAL A 7 12.162 6.349 -7.063 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.932 7.879 -6.919 1.00 0.00 C ATOM 88 CG2 VAL A 7 12.703 5.722 -5.749 1.00 0.00 C ATOM 0 H VAL A 7 11.993 3.835 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 7 10.075 5.847 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 7 12.920 6.218 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.857 8.357 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.627 8.293 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.151 8.062 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.607 6.247 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.948 5.808 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.934 4.670 -5.916 1.00 0.00 H new ATOM 98 N SER A 8 11.112 5.538 -9.953 1.00 0.00 N ATOM 99 CA SER A 8 10.663 5.616 -11.346 1.00 0.00 C ATOM 100 C SER A 8 9.422 4.712 -11.479 1.00 0.00 C ATOM 101 O SER A 8 9.534 3.478 -11.414 1.00 0.00 O ATOM 102 CB SER A 8 11.801 5.157 -12.292 1.00 0.00 C ATOM 103 OG SER A 8 13.013 5.851 -12.013 1.00 0.00 O ATOM 0 H SER A 8 11.989 5.031 -9.833 1.00 0.00 H new ATOM 0 HA SER A 8 10.406 6.638 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.959 4.084 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.509 5.331 -13.328 1.00 0.00 H new ATOM 0 HG SER A 8 13.715 5.541 -12.623 1.00 0.00 H new ATOM 109 N CYS A 9 8.243 5.332 -11.588 1.00 0.00 N ATOM 110 CA CYS A 9 6.970 4.615 -11.582 1.00 0.00 C ATOM 111 C CYS A 9 5.907 5.369 -12.388 1.00 0.00 C ATOM 112 O CYS A 9 5.165 6.190 -11.842 1.00 0.00 O ATOM 113 CB CYS A 9 6.487 4.369 -10.132 1.00 0.00 C ATOM 114 SG CYS A 9 4.913 3.472 -10.041 1.00 0.00 S ATOM 0 H CYS A 9 8.147 6.343 -11.683 1.00 0.00 H new ATOM 0 HA CYS A 9 7.128 3.648 -12.059 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.249 3.806 -9.593 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.380 5.328 -9.625 1.00 0.00 H new ATOM 119 N LEU A 10 5.888 5.118 -13.709 1.00 0.00 N ATOM 120 CA LEU A 10 4.776 5.518 -14.578 1.00 0.00 C ATOM 121 C LEU A 10 3.572 4.625 -14.248 1.00 0.00 C ATOM 122 O LEU A 10 3.655 3.407 -14.405 1.00 0.00 O ATOM 123 CB LEU A 10 5.174 5.396 -16.078 1.00 0.00 C ATOM 124 CG LEU A 10 6.416 6.235 -16.536 1.00 0.00 C ATOM 125 CD1 LEU A 10 6.712 6.026 -18.046 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.245 7.735 -16.188 1.00 0.00 C ATOM 0 H LEU A 10 6.641 4.634 -14.199 1.00 0.00 H new ATOM 0 HA LEU A 10 4.519 6.563 -14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.371 4.346 -16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.318 5.692 -16.685 1.00 0.00 H new ATOM 0 HG LEU A 10 7.282 5.872 -15.982 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.579 6.621 -18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.917 4.972 -18.234 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.848 6.338 -18.633 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.124 8.288 -16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.360 8.126 -16.690 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.131 7.848 -15.110 1.00 0.00 H new ATOM 138 N GLN A 11 2.510 5.240 -13.712 1.00 0.00 N ATOM 139 CA GLN A 11 1.301 4.557 -13.235 1.00 0.00 C ATOM 140 C GLN A 11 0.227 4.494 -14.342 1.00 0.00 C ATOM 141 O GLN A 11 -0.361 5.521 -14.695 1.00 0.00 O ATOM 142 CB GLN A 11 0.750 5.279 -11.965 1.00 0.00 C ATOM 143 CG GLN A 11 1.588 5.051 -10.689 1.00 0.00 C ATOM 144 CD GLN A 11 1.480 3.613 -10.161 1.00 0.00 C ATOM 145 OE1 GLN A 11 2.251 2.728 -10.544 1.00 0.00 O ATOM 146 NE2 GLN A 11 0.508 3.365 -9.296 1.00 0.00 N ATOM 0 H GLN A 11 2.467 6.252 -13.595 1.00 0.00 H new ATOM 0 HA GLN A 11 1.561 3.532 -12.971 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.698 6.349 -12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.269 4.939 -11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.633 5.279 -10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.260 5.744 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.114 4.117 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.381 2.422 -8.928 1.00 0.00 H new ATOM 155 N PRO A 12 -0.010 3.288 -14.940 1.00 0.00 N ATOM 156 CA PRO A 12 -1.166 3.040 -15.825 1.00 0.00 C ATOM 157 C PRO A 12 -2.471 2.912 -15.010 1.00 0.00 C ATOM 158 O PRO A 12 -2.459 2.959 -13.768 1.00 0.00 O ATOM 159 CB PRO A 12 -0.793 1.701 -16.508 1.00 0.00 C ATOM 160 CG PRO A 12 0.017 0.994 -15.471 1.00 0.00 C ATOM 161 CD PRO A 12 0.841 2.079 -14.816 1.00 0.00 C ATOM 0 HA PRO A 12 -1.350 3.846 -16.535 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.680 1.130 -16.783 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.222 1.862 -17.422 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.622 0.491 -14.746 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.653 0.231 -15.919 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.055 1.845 -13.773 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.800 2.211 -15.317 1.00 0.00 H new ATOM 169 N GLU A 13 -3.585 2.714 -15.725 1.00 0.00 N ATOM 170 CA GLU A 13 -4.910 2.513 -15.112 1.00 0.00 C ATOM 171 C GLU A 13 -5.036 1.104 -14.497 1.00 0.00 C ATOM 172 O GLU A 13 -5.902 0.859 -13.648 1.00 0.00 O ATOM 173 CB GLU A 13 -6.021 2.762 -16.164 1.00 0.00 C ATOM 174 CG GLU A 13 -6.028 4.199 -16.745 1.00 0.00 C ATOM 175 CD GLU A 13 -7.193 4.451 -17.721 1.00 0.00 C ATOM 176 OE1 GLU A 13 -8.330 4.676 -17.252 1.00 0.00 O ATOM 177 OE2 GLU A 13 -6.994 4.416 -18.953 1.00 0.00 O ATOM 0 H GLU A 13 -3.597 2.688 -16.745 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.027 3.232 -14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.899 2.051 -16.981 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.990 2.561 -15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.087 4.915 -15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.085 4.381 -17.260 1.00 0.00 H new ATOM 184 N GLY A 14 -4.130 0.196 -14.913 1.00 0.00 N ATOM 185 CA GLY A 14 -4.151 -1.203 -14.480 1.00 0.00 C ATOM 186 C GLY A 14 -4.893 -2.078 -15.478 1.00 0.00 C ATOM 187 O GLY A 14 -5.867 -1.611 -16.091 1.00 0.00 O ATOM 0 H GLY A 14 -3.369 0.417 -15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.130 -1.566 -14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.628 -1.277 -13.503 1.00 0.00 H new ATOM 191 N ASP A 15 -4.402 -3.331 -15.669 1.00 0.00 N ATOM 192 CA ASP A 15 -4.937 -4.275 -16.684 1.00 0.00 C ATOM 193 C ASP A 15 -4.827 -3.639 -18.093 1.00 0.00 C ATOM 194 O ASP A 15 -5.641 -3.872 -18.984 1.00 0.00 O ATOM 195 CB ASP A 15 -6.405 -4.686 -16.304 1.00 0.00 C ATOM 196 CG ASP A 15 -7.024 -5.775 -17.198 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.525 -6.917 -17.185 1.00 0.00 O ATOM 198 OD2 ASP A 15 -8.036 -5.506 -17.886 1.00 0.00 O ATOM 0 H ASP A 15 -3.628 -3.713 -15.126 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.348 -5.192 -16.703 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.413 -5.036 -15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.038 -3.799 -16.345 1.00 0.00 H new ATOM 203 N GLU A 16 -3.753 -2.849 -18.278 1.00 0.00 N ATOM 204 CA GLU A 16 -3.567 -1.986 -19.454 1.00 0.00 C ATOM 205 C GLU A 16 -2.236 -2.318 -20.146 1.00 0.00 C ATOM 206 O GLU A 16 -2.230 -2.910 -21.231 1.00 0.00 O ATOM 207 CB GLU A 16 -3.645 -0.494 -19.020 1.00 0.00 C ATOM 208 CG GLU A 16 -3.412 0.520 -20.154 1.00 0.00 C ATOM 209 CD GLU A 16 -3.734 1.972 -19.745 1.00 0.00 C ATOM 210 OE1 GLU A 16 -3.127 2.481 -18.781 1.00 0.00 O ATOM 211 OE2 GLU A 16 -4.583 2.615 -20.392 1.00 0.00 O ATOM 0 H GLU A 16 -2.985 -2.793 -17.609 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.362 -2.166 -20.178 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.625 -0.308 -18.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.907 -0.319 -18.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.373 0.462 -20.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.028 0.245 -21.011 1.00 0.00 H new ATOM 218 N VAL A 17 -1.101 -1.941 -19.519 1.00 0.00 N ATOM 219 CA VAL A 17 0.242 -2.250 -20.053 1.00 0.00 C ATOM 220 C VAL A 17 0.730 -3.583 -19.465 1.00 0.00 C ATOM 221 O VAL A 17 0.391 -3.930 -18.317 1.00 0.00 O ATOM 222 CB VAL A 17 1.282 -1.091 -19.782 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.784 0.241 -20.410 1.00 0.00 C ATOM 224 CG2 VAL A 17 1.599 -0.934 -18.269 1.00 0.00 C ATOM 0 H VAL A 17 -1.089 -1.422 -18.641 1.00 0.00 H new ATOM 0 HA VAL A 17 0.163 -2.338 -21.137 1.00 0.00 H new ATOM 0 HB VAL A 17 2.221 -1.363 -20.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.511 1.029 -20.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.666 0.114 -21.486 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.175 0.515 -19.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.318 -0.126 -18.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.682 -0.701 -17.727 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.020 -1.864 -17.887 1.00 0.00 H new ATOM 234 N ASP A 18 1.483 -4.336 -20.279 1.00 0.00 N ATOM 235 CA ASP A 18 2.054 -5.631 -19.876 1.00 0.00 C ATOM 236 C ASP A 18 3.166 -5.411 -18.831 1.00 0.00 C ATOM 237 O ASP A 18 3.830 -4.359 -18.824 1.00 0.00 O ATOM 238 CB ASP A 18 2.576 -6.402 -21.127 1.00 0.00 C ATOM 239 CG ASP A 18 3.112 -7.817 -20.810 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.443 -8.557 -20.051 1.00 0.00 O ATOM 241 OD2 ASP A 18 4.178 -8.206 -21.339 1.00 0.00 O ATOM 0 H ASP A 18 1.714 -4.066 -21.235 1.00 0.00 H new ATOM 0 HA ASP A 18 1.280 -6.244 -19.414 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.768 -6.484 -21.854 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.369 -5.820 -21.596 1.00 0.00 H new ATOM 246 N TRP A 19 3.350 -6.399 -17.946 1.00 0.00 N ATOM 247 CA TRP A 19 4.269 -6.307 -16.795 1.00 0.00 C ATOM 248 C TRP A 19 5.645 -6.914 -17.130 1.00 0.00 C ATOM 249 O TRP A 19 5.891 -7.358 -18.260 1.00 0.00 O ATOM 250 CB TRP A 19 3.649 -7.017 -15.557 1.00 0.00 C ATOM 251 CG TRP A 19 2.255 -6.550 -15.203 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.799 -5.261 -15.141 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.147 -7.380 -14.838 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.477 -5.250 -14.779 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.056 -6.535 -14.582 1.00 0.00 C ATOM 256 CE3 TRP A 19 0.981 -8.758 -14.704 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -1.191 -7.025 -14.203 1.00 0.00 C ATOM 258 CZ3 TRP A 19 -0.252 -9.246 -14.328 1.00 0.00 C ATOM 259 CH2 TRP A 19 -1.327 -8.382 -14.078 1.00 0.00 C ATOM 0 H TRP A 19 2.863 -7.293 -18.006 1.00 0.00 H new ATOM 0 HA TRP A 19 4.417 -5.253 -16.562 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.623 -8.090 -15.744 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.301 -6.859 -14.698 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.393 -4.383 -15.347 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.100 -4.416 -14.674 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.804 -9.431 -14.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.020 -6.359 -14.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.392 -10.312 -14.224 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.280 -8.794 -13.781 1.00 0.00 H new ATOM 270 N VAL A 20 6.526 -6.905 -16.122 1.00 0.00 N ATOM 271 CA VAL A 20 7.870 -7.475 -16.180 1.00 0.00 C ATOM 272 C VAL A 20 8.303 -7.870 -14.750 1.00 0.00 C ATOM 273 O VAL A 20 8.397 -7.020 -13.850 1.00 0.00 O ATOM 274 CB VAL A 20 8.906 -6.492 -16.849 1.00 0.00 C ATOM 275 CG1 VAL A 20 8.947 -5.105 -16.160 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.308 -7.134 -16.907 1.00 0.00 C ATOM 0 H VAL A 20 6.312 -6.487 -15.217 1.00 0.00 H new ATOM 0 HA VAL A 20 7.850 -8.362 -16.813 1.00 0.00 H new ATOM 0 HB VAL A 20 8.565 -6.315 -17.869 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.677 -4.471 -16.662 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.962 -4.641 -16.218 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.230 -5.226 -15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.007 -6.439 -17.372 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.644 -7.365 -15.896 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.264 -8.052 -17.494 1.00 0.00 H new ATOM 286 N GLN A 21 8.516 -9.177 -14.537 1.00 0.00 N ATOM 287 CA GLN A 21 8.884 -9.737 -13.230 1.00 0.00 C ATOM 288 C GLN A 21 10.398 -9.956 -13.179 1.00 0.00 C ATOM 289 O GLN A 21 10.922 -10.846 -13.845 1.00 0.00 O ATOM 290 CB GLN A 21 8.097 -11.050 -12.966 1.00 0.00 C ATOM 291 CG GLN A 21 8.215 -11.591 -11.523 1.00 0.00 C ATOM 292 CD GLN A 21 7.214 -12.713 -11.216 1.00 0.00 C ATOM 293 OE1 GLN A 21 6.844 -13.494 -12.092 1.00 0.00 O ATOM 294 NE2 GLN A 21 6.765 -12.794 -9.974 1.00 0.00 N ATOM 0 H GLN A 21 8.437 -9.879 -15.273 1.00 0.00 H new ATOM 0 HA GLN A 21 8.617 -9.037 -12.438 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.044 -10.879 -13.191 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.450 -11.815 -13.657 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.227 -11.962 -11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.060 -10.772 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.091 -12.132 -9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.093 -13.519 -9.721 1.00 0.00 H new ATOM 303 N CYS A 22 11.091 -9.110 -12.397 1.00 0.00 N ATOM 304 CA CYS A 22 12.565 -9.078 -12.343 1.00 0.00 C ATOM 305 C CYS A 22 13.118 -10.206 -11.442 1.00 0.00 C ATOM 306 O CYS A 22 13.769 -9.941 -10.426 1.00 0.00 O ATOM 307 CB CYS A 22 13.044 -7.680 -11.876 1.00 0.00 C ATOM 308 SG CYS A 22 14.803 -7.365 -12.241 1.00 0.00 S ATOM 0 H CYS A 22 10.645 -8.428 -11.783 1.00 0.00 H new ATOM 0 HA CYS A 22 12.958 -9.256 -13.344 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.437 -6.915 -12.359 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.880 -7.587 -10.802 1.00 0.00 H new ATOM 313 N ASP A 23 12.883 -11.461 -11.874 1.00 0.00 N ATOM 314 CA ASP A 23 13.123 -12.700 -11.084 1.00 0.00 C ATOM 315 C ASP A 23 14.553 -12.802 -10.512 1.00 0.00 C ATOM 316 O ASP A 23 14.720 -13.250 -9.373 1.00 0.00 O ATOM 317 CB ASP A 23 12.812 -13.942 -11.968 1.00 0.00 C ATOM 318 CG ASP A 23 13.031 -15.301 -11.251 1.00 0.00 C ATOM 319 OD1 ASP A 23 12.254 -15.622 -10.320 1.00 0.00 O ATOM 320 OD2 ASP A 23 13.964 -16.060 -11.627 1.00 0.00 O ATOM 0 H ASP A 23 12.512 -11.653 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 23 12.455 -12.662 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.777 -13.884 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.440 -13.908 -12.858 1.00 0.00 H new ATOM 325 N GLY A 24 15.534 -12.318 -11.302 1.00 0.00 N ATOM 326 CA GLY A 24 16.976 -12.405 -10.995 1.00 0.00 C ATOM 327 C GLY A 24 17.353 -12.183 -9.523 1.00 0.00 C ATOM 328 O GLY A 24 17.927 -13.069 -8.883 1.00 0.00 O ATOM 0 H GLY A 24 15.342 -11.848 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.336 -13.388 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.504 -11.670 -11.602 1.00 0.00 H new ATOM 332 N SER A 25 16.982 -11.008 -8.986 1.00 0.00 N ATOM 333 CA SER A 25 17.270 -10.626 -7.587 1.00 0.00 C ATOM 334 C SER A 25 16.283 -9.534 -7.104 1.00 0.00 C ATOM 335 O SER A 25 16.639 -8.674 -6.297 1.00 0.00 O ATOM 336 CB SER A 25 18.735 -10.129 -7.456 1.00 0.00 C ATOM 337 OG SER A 25 19.684 -11.102 -7.873 1.00 0.00 O ATOM 0 H SER A 25 16.474 -10.294 -9.508 1.00 0.00 H new ATOM 0 HA SER A 25 17.142 -11.505 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.862 -9.225 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.931 -9.858 -6.419 1.00 0.00 H new ATOM 0 HG SER A 25 20.278 -11.321 -7.125 1.00 0.00 H new ATOM 343 N CYS A 26 15.037 -9.572 -7.609 1.00 0.00 N ATOM 344 CA CYS A 26 13.941 -8.686 -7.135 1.00 0.00 C ATOM 345 C CYS A 26 12.682 -9.529 -6.892 1.00 0.00 C ATOM 346 O CYS A 26 12.007 -9.367 -5.868 1.00 0.00 O ATOM 347 CB CYS A 26 13.633 -7.550 -8.148 1.00 0.00 C ATOM 348 SG CYS A 26 15.017 -6.424 -8.466 1.00 0.00 S ATOM 0 H CYS A 26 14.755 -10.211 -8.353 1.00 0.00 H new ATOM 0 HA CYS A 26 14.263 -8.214 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.322 -7.998 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.788 -6.970 -7.777 1.00 0.00 H new ATOM 353 N ASN A 27 12.344 -10.382 -7.902 1.00 0.00 N ATOM 354 CA ASN A 27 11.227 -11.368 -7.849 1.00 0.00 C ATOM 355 C ASN A 27 9.832 -10.691 -7.983 1.00 0.00 C ATOM 356 O ASN A 27 8.814 -11.363 -8.144 1.00 0.00 O ATOM 357 CB ASN A 27 11.357 -12.266 -6.569 1.00 0.00 C ATOM 358 CG ASN A 27 10.312 -13.378 -6.461 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.274 -13.215 -5.813 1.00 0.00 O ATOM 360 ND2 ASN A 27 10.576 -14.511 -7.101 1.00 0.00 N ATOM 0 H ASN A 27 12.848 -10.403 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 27 11.307 -12.023 -8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.350 -12.716 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.284 -11.630 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.910 -15.283 -7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.445 -14.609 -7.627 1.00 0.00 H new ATOM 367 N GLN A 28 9.810 -9.349 -7.985 1.00 0.00 N ATOM 368 CA GLN A 28 8.574 -8.548 -8.056 1.00 0.00 C ATOM 369 C GLN A 28 8.269 -8.185 -9.520 1.00 0.00 C ATOM 370 O GLN A 28 9.193 -7.982 -10.325 1.00 0.00 O ATOM 371 CB GLN A 28 8.731 -7.259 -7.203 1.00 0.00 C ATOM 372 CG GLN A 28 9.121 -7.514 -5.736 1.00 0.00 C ATOM 373 CD GLN A 28 9.265 -6.231 -4.922 1.00 0.00 C ATOM 374 OE1 GLN A 28 10.342 -5.640 -4.847 1.00 0.00 O ATOM 375 NE2 GLN A 28 8.169 -5.782 -4.325 1.00 0.00 N ATOM 0 H GLN A 28 10.657 -8.782 -7.937 1.00 0.00 H new ATOM 0 HA GLN A 28 7.744 -9.133 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.488 -6.623 -7.663 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.792 -6.705 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.367 -8.149 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.062 -8.063 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.294 -6.299 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.201 -4.920 -3.781 1.00 0.00 H new ATOM 384 N TRP A 29 6.974 -8.116 -9.842 1.00 0.00 N ATOM 385 CA TRP A 29 6.473 -7.766 -11.177 1.00 0.00 C ATOM 386 C TRP A 29 5.962 -6.319 -11.173 1.00 0.00 C ATOM 387 O TRP A 29 4.986 -5.982 -10.498 1.00 0.00 O ATOM 388 CB TRP A 29 5.392 -8.782 -11.671 1.00 0.00 C ATOM 389 CG TRP A 29 4.355 -9.184 -10.642 1.00 0.00 C ATOM 390 CD1 TRP A 29 4.529 -10.064 -9.609 1.00 0.00 C ATOM 391 CD2 TRP A 29 2.994 -8.743 -10.563 1.00 0.00 C ATOM 392 NE1 TRP A 29 3.371 -10.186 -8.895 1.00 0.00 N ATOM 393 CE2 TRP A 29 2.411 -9.388 -9.459 1.00 0.00 C ATOM 394 CE3 TRP A 29 2.214 -7.866 -11.321 1.00 0.00 C ATOM 395 CZ2 TRP A 29 1.084 -9.185 -9.094 1.00 0.00 C ATOM 396 CZ3 TRP A 29 0.898 -7.659 -10.958 1.00 0.00 C ATOM 397 CH2 TRP A 29 0.345 -8.314 -9.850 1.00 0.00 C ATOM 0 H TRP A 29 6.230 -8.305 -9.171 1.00 0.00 H new ATOM 0 HA TRP A 29 7.293 -7.832 -11.892 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.878 -8.350 -12.529 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.898 -9.682 -12.022 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.449 -10.586 -9.390 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.242 -10.777 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.634 -7.358 -12.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.652 -9.695 -8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.286 -6.983 -11.536 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.686 -8.128 -9.586 1.00 0.00 H new ATOM 408 N PHE A 30 6.693 -5.469 -11.897 1.00 0.00 N ATOM 409 CA PHE A 30 6.357 -4.053 -12.112 1.00 0.00 C ATOM 410 C PHE A 30 5.726 -3.928 -13.503 1.00 0.00 C ATOM 411 O PHE A 30 5.858 -4.831 -14.319 1.00 0.00 O ATOM 412 CB PHE A 30 7.640 -3.164 -12.045 1.00 0.00 C ATOM 413 CG PHE A 30 8.522 -3.372 -10.810 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.381 -4.473 -10.735 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.508 -2.474 -9.737 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.189 -4.673 -9.633 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.320 -2.677 -8.633 1.00 0.00 C ATOM 418 CZ PHE A 30 10.157 -3.774 -8.581 1.00 0.00 C ATOM 0 H PHE A 30 7.556 -5.749 -12.363 1.00 0.00 H new ATOM 0 HA PHE A 30 5.669 -3.716 -11.337 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.240 -3.355 -12.935 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.338 -2.117 -12.082 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.413 -5.178 -11.552 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.857 -1.613 -9.770 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.845 -5.530 -9.592 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.298 -1.976 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.788 -3.931 -7.718 1.00 0.00 H new ATOM 428 N HIS A 31 5.044 -2.812 -13.761 1.00 0.00 N ATOM 429 CA HIS A 31 4.630 -2.433 -15.140 1.00 0.00 C ATOM 430 C HIS A 31 5.911 -2.204 -15.985 1.00 0.00 C ATOM 431 O HIS A 31 6.928 -1.751 -15.450 1.00 0.00 O ATOM 432 CB HIS A 31 3.687 -1.158 -15.150 1.00 0.00 C ATOM 433 CG HIS A 31 3.384 -0.559 -13.793 1.00 0.00 C ATOM 434 ND1 HIS A 31 2.765 -1.240 -12.784 1.00 0.00 N ATOM 435 CD2 HIS A 31 3.839 0.575 -13.237 1.00 0.00 C ATOM 436 CE1 HIS A 31 2.911 -0.526 -11.660 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.592 0.597 -11.877 1.00 0.00 N ATOM 0 H HIS A 31 4.760 -2.145 -13.043 1.00 0.00 H new ATOM 0 HA HIS A 31 4.040 -3.240 -15.575 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.150 -0.391 -15.771 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.745 -1.429 -15.627 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.279 -2.132 -12.871 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.333 1.366 -13.781 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.524 -0.825 -10.697 1.00 0.00 H new ATOM 445 N GLN A 32 5.879 -2.539 -17.282 1.00 0.00 N ATOM 446 CA GLN A 32 7.041 -2.322 -18.175 1.00 0.00 C ATOM 447 C GLN A 32 7.375 -0.816 -18.298 1.00 0.00 C ATOM 448 O GLN A 32 8.550 -0.444 -18.395 1.00 0.00 O ATOM 449 CB GLN A 32 6.798 -2.990 -19.559 1.00 0.00 C ATOM 450 CG GLN A 32 7.261 -4.463 -19.607 1.00 0.00 C ATOM 451 CD GLN A 32 6.941 -5.147 -20.928 1.00 0.00 C ATOM 452 OE1 GLN A 32 7.710 -5.076 -21.874 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.840 -5.868 -20.972 1.00 0.00 N ATOM 0 H GLN A 32 5.070 -2.959 -17.740 1.00 0.00 H new ATOM 0 HA GLN A 32 7.915 -2.801 -17.733 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.736 -2.941 -19.799 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.325 -2.424 -20.327 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.336 -4.505 -19.434 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.786 -5.014 -18.795 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.221 -5.904 -20.162 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.606 -6.391 -21.816 1.00 0.00 H new ATOM 462 N VAL A 33 6.334 0.032 -18.222 1.00 0.00 N ATOM 463 CA VAL A 33 6.489 1.500 -18.212 1.00 0.00 C ATOM 464 C VAL A 33 7.154 2.003 -16.896 1.00 0.00 C ATOM 465 O VAL A 33 7.802 3.055 -16.885 1.00 0.00 O ATOM 466 CB VAL A 33 5.106 2.222 -18.444 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.499 1.826 -19.813 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.107 1.936 -17.291 1.00 0.00 C ATOM 0 H VAL A 33 5.364 -0.278 -18.166 1.00 0.00 H new ATOM 0 HA VAL A 33 7.153 1.756 -19.038 1.00 0.00 H new ATOM 0 HB VAL A 33 5.296 3.295 -18.451 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.546 2.337 -19.950 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.183 2.114 -20.611 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.341 0.748 -19.843 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.167 2.451 -17.488 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.926 0.863 -17.224 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.526 2.293 -16.350 1.00 0.00 H new ATOM 478 N CYS A 34 6.980 1.226 -15.794 1.00 0.00 N ATOM 479 CA CYS A 34 7.519 1.564 -14.439 1.00 0.00 C ATOM 480 C CYS A 34 9.056 1.651 -14.440 1.00 0.00 C ATOM 481 O CYS A 34 9.633 2.683 -14.097 1.00 0.00 O ATOM 482 CB CYS A 34 7.086 0.473 -13.422 1.00 0.00 C ATOM 483 SG CYS A 34 7.184 0.907 -11.657 1.00 0.00 S ATOM 0 H CYS A 34 6.463 0.347 -15.815 1.00 0.00 H new ATOM 0 HA CYS A 34 7.117 2.538 -14.159 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.057 0.190 -13.645 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.703 -0.410 -13.589 1.00 0.00 H new ATOM 488 N VAL A 35 9.698 0.561 -14.888 1.00 0.00 N ATOM 489 CA VAL A 35 11.155 0.354 -14.741 1.00 0.00 C ATOM 490 C VAL A 35 11.922 0.654 -16.043 1.00 0.00 C ATOM 491 O VAL A 35 13.159 0.614 -16.055 1.00 0.00 O ATOM 492 CB VAL A 35 11.453 -1.110 -14.241 1.00 0.00 C ATOM 493 CG1 VAL A 35 10.961 -1.319 -12.781 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.819 -2.155 -15.193 1.00 0.00 C ATOM 0 H VAL A 35 9.224 -0.206 -15.364 1.00 0.00 H new ATOM 0 HA VAL A 35 11.510 1.063 -13.993 1.00 0.00 H new ATOM 0 HB VAL A 35 12.534 -1.252 -14.250 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.181 -2.339 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.471 -0.617 -12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.886 -1.148 -12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.037 -3.159 -14.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.739 -2.008 -15.227 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.234 -2.034 -16.194 1.00 0.00 H new ATOM 504 N GLY A 36 11.182 0.945 -17.132 1.00 0.00 N ATOM 505 CA GLY A 36 11.788 1.339 -18.411 1.00 0.00 C ATOM 506 C GLY A 36 12.180 0.158 -19.282 1.00 0.00 C ATOM 507 O GLY A 36 13.156 0.230 -20.041 1.00 0.00 O ATOM 0 H GLY A 36 10.163 0.913 -17.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.086 1.968 -18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.672 1.945 -18.214 1.00 0.00 H new ATOM 511 N VAL A 37 11.413 -0.931 -19.173 1.00 0.00 N ATOM 512 CA VAL A 37 11.588 -2.134 -19.999 1.00 0.00 C ATOM 513 C VAL A 37 10.596 -2.096 -21.188 1.00 0.00 C ATOM 514 O VAL A 37 9.395 -1.904 -20.995 1.00 0.00 O ATOM 515 CB VAL A 37 11.395 -3.432 -19.120 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.338 -4.718 -19.968 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.521 -3.547 -18.056 1.00 0.00 C ATOM 0 H VAL A 37 10.646 -1.005 -18.504 1.00 0.00 H new ATOM 0 HA VAL A 37 12.600 -2.158 -20.402 1.00 0.00 H new ATOM 0 HB VAL A 37 10.432 -3.329 -18.619 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.204 -5.580 -19.314 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.502 -4.658 -20.664 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.268 -4.827 -20.526 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.369 -4.448 -17.461 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.489 -3.600 -18.555 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.496 -2.674 -17.404 1.00 0.00 H new ATOM 527 N SER A 38 11.127 -2.230 -22.416 1.00 0.00 N ATOM 528 CA SER A 38 10.326 -2.307 -23.657 1.00 0.00 C ATOM 529 C SER A 38 9.821 -3.765 -23.878 1.00 0.00 C ATOM 530 O SER A 38 10.377 -4.693 -23.277 1.00 0.00 O ATOM 531 CB SER A 38 11.191 -1.812 -24.850 1.00 0.00 C ATOM 532 OG SER A 38 11.681 -0.495 -24.622 1.00 0.00 O ATOM 0 H SER A 38 12.132 -2.289 -22.580 1.00 0.00 H new ATOM 0 HA SER A 38 9.448 -1.666 -23.577 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.029 -2.493 -25.002 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.597 -1.828 -25.764 1.00 0.00 H new ATOM 0 HG SER A 38 12.223 -0.210 -25.387 1.00 0.00 H new ATOM 538 N PRO A 39 8.729 -3.988 -24.703 1.00 0.00 N ATOM 539 CA PRO A 39 8.201 -5.351 -25.030 1.00 0.00 C ATOM 540 C PRO A 39 9.289 -6.385 -25.412 1.00 0.00 C ATOM 541 O PRO A 39 9.356 -7.465 -24.824 1.00 0.00 O ATOM 542 CB PRO A 39 7.261 -5.068 -26.225 1.00 0.00 C ATOM 543 CG PRO A 39 6.720 -3.705 -25.935 1.00 0.00 C ATOM 544 CD PRO A 39 7.875 -2.933 -25.322 1.00 0.00 C ATOM 0 HA PRO A 39 7.719 -5.810 -24.167 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.799 -5.092 -27.172 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.464 -5.809 -26.292 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.364 -3.222 -26.845 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.874 -3.756 -25.249 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.423 -2.369 -26.077 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.526 -2.216 -24.579 1.00 0.00 H new ATOM 552 N GLU A 40 10.168 -6.006 -26.361 1.00 0.00 N ATOM 553 CA GLU A 40 11.248 -6.888 -26.862 1.00 0.00 C ATOM 554 C GLU A 40 12.374 -7.085 -25.823 1.00 0.00 C ATOM 555 O GLU A 40 13.213 -7.963 -25.980 1.00 0.00 O ATOM 556 CB GLU A 40 11.820 -6.340 -28.200 1.00 0.00 C ATOM 557 CG GLU A 40 10.797 -6.310 -29.358 1.00 0.00 C ATOM 558 CD GLU A 40 11.394 -5.796 -30.685 1.00 0.00 C ATOM 559 OE1 GLU A 40 11.424 -4.567 -30.898 1.00 0.00 O ATOM 560 OE2 GLU A 40 11.850 -6.616 -31.510 1.00 0.00 O ATOM 0 H GLU A 40 10.152 -5.086 -26.801 1.00 0.00 H new ATOM 0 HA GLU A 40 10.808 -7.869 -27.042 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.196 -5.330 -28.035 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.671 -6.953 -28.497 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.401 -7.314 -29.510 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.957 -5.676 -29.075 1.00 0.00 H new ATOM 567 N MET A 41 12.390 -6.271 -24.763 1.00 0.00 N ATOM 568 CA MET A 41 13.328 -6.469 -23.648 1.00 0.00 C ATOM 569 C MET A 41 12.795 -7.594 -22.729 1.00 0.00 C ATOM 570 O MET A 41 13.450 -8.638 -22.569 1.00 0.00 O ATOM 571 CB MET A 41 13.555 -5.142 -22.875 1.00 0.00 C ATOM 572 CG MET A 41 14.176 -4.015 -23.709 1.00 0.00 C ATOM 573 SD MET A 41 14.326 -2.472 -22.777 1.00 0.00 S ATOM 574 CE MET A 41 15.069 -1.380 -23.994 1.00 0.00 C ATOM 0 H MET A 41 11.767 -5.471 -24.651 1.00 0.00 H new ATOM 0 HA MET A 41 14.300 -6.774 -24.036 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.599 -4.799 -22.480 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.201 -5.341 -22.020 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.162 -4.324 -24.056 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.565 -3.843 -24.595 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.218 -0.394 -23.555 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.030 -1.786 -24.309 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.410 -1.297 -24.858 1.00 0.00 H new ATOM 584 N ALA A 42 11.551 -7.401 -22.220 1.00 0.00 N ATOM 585 CA ALA A 42 10.884 -8.340 -21.275 1.00 0.00 C ATOM 586 C ALA A 42 10.678 -9.735 -21.892 1.00 0.00 C ATOM 587 O ALA A 42 10.802 -10.760 -21.207 1.00 0.00 O ATOM 588 CB ALA A 42 9.528 -7.765 -20.823 1.00 0.00 C ATOM 0 H ALA A 42 10.979 -6.589 -22.453 1.00 0.00 H new ATOM 0 HA ALA A 42 11.542 -8.453 -20.413 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.050 -8.460 -20.133 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.686 -6.809 -20.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.887 -7.619 -21.692 1.00 0.00 H new ATOM 594 N GLU A 43 10.374 -9.745 -23.191 1.00 0.00 N ATOM 595 CA GLU A 43 10.101 -10.966 -23.952 1.00 0.00 C ATOM 596 C GLU A 43 11.418 -11.549 -24.498 1.00 0.00 C ATOM 597 O GLU A 43 11.843 -12.628 -24.073 1.00 0.00 O ATOM 598 CB GLU A 43 9.095 -10.633 -25.108 1.00 0.00 C ATOM 599 CG GLU A 43 8.452 -11.830 -25.854 1.00 0.00 C ATOM 600 CD GLU A 43 9.406 -12.604 -26.783 1.00 0.00 C ATOM 601 OE1 GLU A 43 9.845 -12.028 -27.804 1.00 0.00 O ATOM 602 OE2 GLU A 43 9.731 -13.783 -26.500 1.00 0.00 O ATOM 0 H GLU A 43 10.310 -8.895 -23.751 1.00 0.00 H new ATOM 0 HA GLU A 43 9.650 -11.719 -23.307 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.293 -10.023 -24.692 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.615 -10.018 -25.842 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.045 -12.522 -25.117 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.612 -11.463 -26.444 1.00 0.00 H new ATOM 609 N LYS A 44 12.072 -10.799 -25.408 1.00 0.00 N ATOM 610 CA LYS A 44 13.139 -11.343 -26.279 1.00 0.00 C ATOM 611 C LYS A 44 14.503 -11.405 -25.561 1.00 0.00 C ATOM 612 O LYS A 44 15.142 -12.461 -25.556 1.00 0.00 O ATOM 613 CB LYS A 44 13.225 -10.517 -27.590 1.00 0.00 C ATOM 614 CG LYS A 44 14.230 -11.036 -28.640 1.00 0.00 C ATOM 615 CD LYS A 44 14.247 -10.159 -29.912 1.00 0.00 C ATOM 616 CE LYS A 44 12.859 -10.035 -30.576 1.00 0.00 C ATOM 617 NZ LYS A 44 12.905 -9.212 -31.809 1.00 0.00 N ATOM 0 H LYS A 44 11.880 -9.809 -25.561 1.00 0.00 H new ATOM 0 HA LYS A 44 12.877 -12.371 -26.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.235 -10.487 -28.045 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.490 -9.491 -27.335 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.229 -11.061 -28.204 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.975 -12.061 -28.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.612 -9.164 -29.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.951 -10.582 -30.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.482 -11.029 -30.817 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.157 -9.591 -29.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.407 -9.707 -32.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.445 -8.296 -31.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.895 -9.055 -32.085 1.00 0.00 H new ATOM 631 N GLU A 45 14.923 -10.302 -24.897 1.00 0.00 N ATOM 632 CA GLU A 45 16.318 -10.180 -24.412 1.00 0.00 C ATOM 633 C GLU A 45 16.478 -9.087 -23.333 1.00 0.00 C ATOM 634 O GLU A 45 16.214 -7.910 -23.582 1.00 0.00 O ATOM 635 CB GLU A 45 17.279 -9.915 -25.611 1.00 0.00 C ATOM 636 CG GLU A 45 16.918 -8.696 -26.486 1.00 0.00 C ATOM 637 CD GLU A 45 17.877 -8.521 -27.667 1.00 0.00 C ATOM 638 OE1 GLU A 45 17.665 -9.163 -28.717 1.00 0.00 O ATOM 639 OE2 GLU A 45 18.870 -7.766 -27.545 1.00 0.00 O ATOM 0 H GLU A 45 14.330 -9.499 -24.688 1.00 0.00 H new ATOM 0 HA GLU A 45 16.581 -11.126 -23.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.288 -9.777 -25.223 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.299 -10.803 -26.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.901 -8.810 -26.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.933 -7.795 -25.873 1.00 0.00 H new ATOM 646 N ASP A 46 16.910 -9.526 -22.139 1.00 0.00 N ATOM 647 CA ASP A 46 17.293 -8.674 -20.998 1.00 0.00 C ATOM 648 C ASP A 46 16.146 -7.793 -20.457 1.00 0.00 C ATOM 649 O ASP A 46 15.743 -6.800 -21.060 1.00 0.00 O ATOM 650 CB ASP A 46 18.554 -7.815 -21.308 1.00 0.00 C ATOM 651 CG ASP A 46 18.928 -6.853 -20.163 1.00 0.00 C ATOM 652 OD1 ASP A 46 19.071 -7.315 -19.010 1.00 0.00 O ATOM 653 OD2 ASP A 46 19.069 -5.632 -20.410 1.00 0.00 O ATOM 0 H ASP A 46 17.006 -10.520 -21.933 1.00 0.00 H new ATOM 0 HA ASP A 46 17.540 -9.373 -20.199 1.00 0.00 H new ATOM 0 HB2 ASP A 46 19.397 -8.477 -21.508 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.379 -7.238 -22.216 1.00 0.00 H new ATOM 658 N TYR A 47 15.658 -8.189 -19.288 1.00 0.00 N ATOM 659 CA TYR A 47 14.785 -7.377 -18.428 1.00 0.00 C ATOM 660 C TYR A 47 15.410 -7.307 -17.011 1.00 0.00 C ATOM 661 O TYR A 47 14.778 -6.862 -16.043 1.00 0.00 O ATOM 662 CB TYR A 47 13.372 -8.016 -18.412 1.00 0.00 C ATOM 663 CG TYR A 47 13.337 -9.463 -17.872 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.650 -10.550 -18.696 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.040 -9.729 -16.533 1.00 0.00 C ATOM 666 CE1 TYR A 47 13.661 -11.843 -18.206 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.062 -11.019 -16.042 1.00 0.00 C ATOM 668 CZ TYR A 47 13.367 -12.070 -16.878 1.00 0.00 C ATOM 669 OH TYR A 47 13.404 -13.355 -16.375 1.00 0.00 O ATOM 0 H TYR A 47 15.860 -9.108 -18.895 1.00 0.00 H new ATOM 0 HA TYR A 47 14.690 -6.358 -18.804 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.713 -7.397 -17.804 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.971 -8.009 -19.425 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.888 -10.376 -19.735 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.789 -8.913 -15.872 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.898 -12.670 -18.859 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.840 -11.204 -15.001 1.00 0.00 H new ATOM 0 HH TYR A 47 13.172 -13.340 -15.423 1.00 0.00 H new ATOM 679 N ILE A 48 16.679 -7.740 -16.936 1.00 0.00 N ATOM 680 CA ILE A 48 17.421 -7.920 -15.687 1.00 0.00 C ATOM 681 C ILE A 48 18.038 -6.567 -15.298 1.00 0.00 C ATOM 682 O ILE A 48 18.986 -6.110 -15.949 1.00 0.00 O ATOM 683 CB ILE A 48 18.545 -9.038 -15.833 1.00 0.00 C ATOM 684 CG1 ILE A 48 17.943 -10.461 -16.162 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.446 -9.115 -14.573 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.449 -10.669 -17.593 1.00 0.00 C ATOM 0 H ILE A 48 17.226 -7.979 -17.763 1.00 0.00 H new ATOM 0 HA ILE A 48 16.742 -8.260 -14.905 1.00 0.00 H new ATOM 0 HB ILE A 48 19.161 -8.736 -16.680 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.703 -11.212 -15.949 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.112 -10.647 -15.482 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.200 -9.890 -14.712 1.00 0.00 H new ATOM 0 HG22 ILE A 48 19.937 -8.154 -14.417 1.00 0.00 H new ATOM 0 HG23 ILE A 48 18.835 -9.355 -13.703 1.00 0.00 H new ATOM 0 HD11 ILE A 48 17.058 -11.681 -17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 48 16.660 -9.950 -17.814 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.276 -10.524 -18.288 1.00 0.00 H new ATOM 698 N CYS A 49 17.453 -5.920 -14.263 1.00 0.00 N ATOM 699 CA CYS A 49 17.841 -4.553 -13.829 1.00 0.00 C ATOM 700 C CYS A 49 19.312 -4.495 -13.368 1.00 0.00 C ATOM 701 O CYS A 49 19.884 -5.521 -12.981 1.00 0.00 O ATOM 702 CB CYS A 49 16.924 -4.048 -12.691 1.00 0.00 C ATOM 703 SG CYS A 49 17.308 -4.736 -11.042 1.00 0.00 S ATOM 0 H CYS A 49 16.702 -6.327 -13.706 1.00 0.00 H new ATOM 0 HA CYS A 49 17.725 -3.904 -14.697 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.993 -2.961 -12.642 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.891 -4.291 -12.940 1.00 0.00 H new ATOM 708 N VAL A 50 19.874 -3.267 -13.362 1.00 0.00 N ATOM 709 CA VAL A 50 21.309 -2.995 -13.101 1.00 0.00 C ATOM 710 C VAL A 50 21.806 -3.644 -11.789 1.00 0.00 C ATOM 711 O VAL A 50 22.909 -4.180 -11.744 1.00 0.00 O ATOM 712 CB VAL A 50 21.577 -1.441 -13.056 1.00 0.00 C ATOM 713 CG1 VAL A 50 23.076 -1.114 -12.829 1.00 0.00 C ATOM 714 CG2 VAL A 50 21.036 -0.735 -14.330 1.00 0.00 C ATOM 0 H VAL A 50 19.335 -2.420 -13.541 1.00 0.00 H new ATOM 0 HA VAL A 50 21.867 -3.443 -13.923 1.00 0.00 H new ATOM 0 HB VAL A 50 21.029 -1.050 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.213 -0.033 -12.805 1.00 0.00 H new ATOM 0 HG12 VAL A 50 23.402 -1.542 -11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 50 23.668 -1.537 -13.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 21.237 0.334 -14.266 1.00 0.00 H new ATOM 0 HG22 VAL A 50 21.530 -1.145 -15.211 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.961 -0.898 -14.408 1.00 0.00 H new ATOM 724 N ARG A 51 20.961 -3.605 -10.743 1.00 0.00 N ATOM 725 CA ARG A 51 21.280 -4.182 -9.419 1.00 0.00 C ATOM 726 C ARG A 51 21.438 -5.718 -9.488 1.00 0.00 C ATOM 727 O ARG A 51 22.400 -6.269 -8.947 1.00 0.00 O ATOM 728 CB ARG A 51 20.210 -3.765 -8.375 1.00 0.00 C ATOM 729 CG ARG A 51 20.241 -2.263 -8.004 1.00 0.00 C ATOM 730 CD ARG A 51 21.571 -1.858 -7.342 1.00 0.00 C ATOM 731 NE ARG A 51 21.605 -0.425 -6.981 1.00 0.00 N ATOM 732 CZ ARG A 51 22.441 0.128 -6.089 1.00 0.00 C ATOM 733 NH1 ARG A 51 23.283 -0.624 -5.383 1.00 0.00 N ATOM 734 NH2 ARG A 51 22.423 1.439 -5.897 1.00 0.00 N ATOM 0 H ARG A 51 20.038 -3.174 -10.789 1.00 0.00 H new ATOM 0 HA ARG A 51 22.242 -3.781 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.222 -4.012 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 51 20.352 -4.355 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 51 20.086 -1.665 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.417 -2.040 -7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 51 21.726 -2.460 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 51 22.394 -2.079 -8.021 1.00 0.00 H new ATOM 0 HE ARG A 51 20.940 0.192 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 51 23.299 -1.635 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.913 -0.189 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.776 2.023 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.057 1.864 -5.220 1.00 0.00 H new ATOM 748 N CYS A 52 20.513 -6.391 -10.190 1.00 0.00 N ATOM 749 CA CYS A 52 20.590 -7.856 -10.420 1.00 0.00 C ATOM 750 C CYS A 52 21.853 -8.226 -11.238 1.00 0.00 C ATOM 751 O CYS A 52 22.513 -9.236 -10.955 1.00 0.00 O ATOM 752 CB CYS A 52 19.321 -8.353 -11.151 1.00 0.00 C ATOM 753 SG CYS A 52 17.815 -8.411 -10.144 1.00 0.00 S ATOM 0 H CYS A 52 19.697 -5.948 -10.613 1.00 0.00 H new ATOM 0 HA CYS A 52 20.656 -8.346 -9.449 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.139 -7.705 -12.009 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.515 -9.352 -11.541 1.00 0.00 H new ATOM 758 N THR A 53 22.173 -7.372 -12.223 1.00 0.00 N ATOM 759 CA THR A 53 23.292 -7.574 -13.151 1.00 0.00 C ATOM 760 C THR A 53 24.648 -7.421 -12.420 1.00 0.00 C ATOM 761 O THR A 53 25.546 -8.261 -12.581 1.00 0.00 O ATOM 762 CB THR A 53 23.192 -6.546 -14.330 1.00 0.00 C ATOM 763 OG1 THR A 53 21.864 -6.587 -14.885 1.00 0.00 O ATOM 764 CG2 THR A 53 24.220 -6.818 -15.445 1.00 0.00 C ATOM 0 H THR A 53 21.654 -6.512 -12.398 1.00 0.00 H new ATOM 0 HA THR A 53 23.236 -8.586 -13.551 1.00 0.00 H new ATOM 0 HB THR A 53 23.411 -5.560 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.237 -6.157 -14.266 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.105 -6.076 -16.235 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.228 -6.757 -15.034 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.056 -7.814 -15.856 1.00 0.00 H new ATOM 772 N VAL A 54 24.761 -6.363 -11.585 1.00 0.00 N ATOM 773 CA VAL A 54 26.024 -5.992 -10.913 1.00 0.00 C ATOM 774 C VAL A 54 26.380 -6.999 -9.811 1.00 0.00 C ATOM 775 O VAL A 54 27.563 -7.165 -9.483 1.00 0.00 O ATOM 776 CB VAL A 54 25.987 -4.518 -10.335 1.00 0.00 C ATOM 777 CG1 VAL A 54 25.018 -4.376 -9.135 1.00 0.00 C ATOM 778 CG2 VAL A 54 27.409 -4.004 -9.989 1.00 0.00 C ATOM 0 H VAL A 54 23.981 -5.745 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 54 26.805 -6.020 -11.673 1.00 0.00 H new ATOM 0 HB VAL A 54 25.593 -3.882 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.031 -3.347 -8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.008 -4.638 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.333 -5.043 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 54 27.343 -2.990 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.859 -4.656 -9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.025 -4.005 -10.888 1.00 0.00 H new ATOM 788 N LYS A 55 25.347 -7.680 -9.249 1.00 0.00 N ATOM 789 CA LYS A 55 25.558 -8.771 -8.274 1.00 0.00 C ATOM 790 C LYS A 55 26.447 -9.857 -8.880 1.00 0.00 C ATOM 791 O LYS A 55 27.430 -10.266 -8.252 1.00 0.00 O ATOM 792 CB LYS A 55 24.213 -9.387 -7.799 1.00 0.00 C ATOM 793 CG LYS A 55 23.392 -8.459 -6.893 1.00 0.00 C ATOM 794 CD LYS A 55 22.073 -9.092 -6.419 1.00 0.00 C ATOM 795 CE LYS A 55 21.240 -8.134 -5.557 1.00 0.00 C ATOM 796 NZ LYS A 55 21.966 -7.705 -4.332 1.00 0.00 N ATOM 0 H LYS A 55 24.366 -7.490 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 55 26.054 -8.343 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.615 -9.649 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 55 24.418 -10.314 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.991 -8.187 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 55 23.173 -7.537 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.488 -9.398 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.291 -9.994 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.974 -7.256 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.307 -8.621 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.321 -7.171 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.316 -8.543 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.770 -7.101 -4.598 1.00 0.00 H new ATOM 810 N ASP A 56 26.064 -10.316 -10.103 1.00 0.00 N ATOM 811 CA ASP A 56 26.846 -11.261 -10.951 1.00 0.00 C ATOM 812 C ASP A 56 26.819 -12.727 -10.417 1.00 0.00 C ATOM 813 O ASP A 56 26.792 -13.676 -11.206 1.00 0.00 O ATOM 814 CB ASP A 56 28.310 -10.741 -11.167 1.00 0.00 C ATOM 815 CG ASP A 56 29.209 -11.721 -11.950 1.00 0.00 C ATOM 816 OD1 ASP A 56 29.029 -11.858 -13.177 1.00 0.00 O ATOM 817 OD2 ASP A 56 30.093 -12.370 -11.337 1.00 0.00 O ATOM 0 H ASP A 56 25.185 -10.034 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 56 26.354 -11.293 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.273 -9.791 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 56 28.763 -10.544 -10.195 1.00 0.00 H new ATOM 822 N ALA A 57 26.810 -12.892 -9.091 1.00 0.00 N ATOM 823 CA ALA A 57 26.819 -14.178 -8.407 1.00 0.00 C ATOM 824 C ALA A 57 25.490 -14.338 -7.645 1.00 0.00 C ATOM 825 O ALA A 57 25.302 -13.697 -6.606 1.00 0.00 O ATOM 826 CB ALA A 57 28.031 -14.254 -7.451 1.00 0.00 C ATOM 0 H ALA A 57 26.796 -12.102 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 57 26.914 -14.992 -9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.033 -15.218 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.953 -14.144 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 57 27.963 -13.454 -6.713 1.00 0.00 H new ATOM 832 N PRO A 58 24.501 -15.123 -8.186 1.00 0.00 N ATOM 833 CA PRO A 58 23.248 -15.449 -7.466 1.00 0.00 C ATOM 834 C PRO A 58 23.520 -16.427 -6.299 1.00 0.00 C ATOM 835 O PRO A 58 23.435 -17.650 -6.456 1.00 0.00 O ATOM 836 CB PRO A 58 22.341 -16.062 -8.577 1.00 0.00 C ATOM 837 CG PRO A 58 23.307 -16.644 -9.565 1.00 0.00 C ATOM 838 CD PRO A 58 24.513 -15.719 -9.553 1.00 0.00 C ATOM 0 HA PRO A 58 22.777 -14.588 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.677 -16.826 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 58 21.709 -15.303 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 58 23.589 -17.659 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 58 22.865 -16.698 -10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 58 25.437 -16.266 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 58 24.434 -14.952 -10.323 1.00 0.00 H new ATOM 846 N SER A 59 23.923 -15.852 -5.147 1.00 0.00 N ATOM 847 CA SER A 59 24.251 -16.612 -3.934 1.00 0.00 C ATOM 848 C SER A 59 22.980 -17.299 -3.405 1.00 0.00 C ATOM 849 O SER A 59 21.980 -16.608 -3.130 1.00 0.00 O ATOM 850 CB SER A 59 24.864 -15.668 -2.868 1.00 0.00 C ATOM 851 OG SER A 59 25.272 -16.380 -1.709 1.00 0.00 O ATOM 0 H SER A 59 24.029 -14.844 -5.037 1.00 0.00 H new ATOM 0 HA SER A 59 24.989 -17.380 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.720 -15.145 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.133 -14.909 -2.590 1.00 0.00 H new ATOM 0 HG SER A 59 25.655 -15.755 -1.059 1.00 0.00 H new ATOM 857 N ARG A 60 23.039 -18.652 -3.309 1.00 0.00 N ATOM 858 CA ARG A 60 21.904 -19.529 -2.948 1.00 0.00 C ATOM 859 C ARG A 60 20.853 -19.561 -4.082 1.00 0.00 C ATOM 860 O ARG A 60 20.304 -18.523 -4.469 1.00 0.00 O ATOM 861 CB ARG A 60 21.265 -19.122 -1.584 1.00 0.00 C ATOM 862 CG ARG A 60 20.067 -19.988 -1.122 1.00 0.00 C ATOM 863 CD ARG A 60 19.433 -19.479 0.190 1.00 0.00 C ATOM 864 NE ARG A 60 20.402 -19.441 1.304 1.00 0.00 N ATOM 865 CZ ARG A 60 20.134 -19.727 2.584 1.00 0.00 C ATOM 866 NH1 ARG A 60 18.917 -20.117 2.959 1.00 0.00 N ATOM 867 NH2 ARG A 60 21.092 -19.601 3.486 1.00 0.00 N ATOM 0 H ARG A 60 23.899 -19.172 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 60 22.294 -20.539 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 60 22.037 -19.162 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.936 -18.085 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 19.309 -20.000 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.400 -21.017 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.027 -18.480 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.597 -20.124 0.461 1.00 0.00 H new ATOM 0 HE ARG A 60 21.360 -19.173 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.173 -20.202 2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.729 -20.331 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 60 22.021 -19.289 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.902 -19.815 4.465 1.00 0.00 H new ATOM 881 N LYS A 61 20.590 -20.775 -4.615 1.00 0.00 N ATOM 882 CA LYS A 61 19.628 -21.001 -5.713 1.00 0.00 C ATOM 883 C LYS A 61 18.338 -21.620 -5.135 1.00 0.00 C ATOM 884 O LYS A 61 18.201 -22.862 -5.123 1.00 0.00 O ATOM 885 CB LYS A 61 20.265 -21.899 -6.832 1.00 0.00 C ATOM 886 CG LYS A 61 21.495 -21.284 -7.552 1.00 0.00 C ATOM 887 CD LYS A 61 22.809 -21.358 -6.736 1.00 0.00 C ATOM 888 CE LYS A 61 23.978 -20.665 -7.455 1.00 0.00 C ATOM 889 NZ LYS A 61 24.292 -21.303 -8.759 1.00 0.00 N ATOM 890 OXT LYS A 61 17.484 -20.857 -4.640 1.00 0.00 O ATOM 0 H LYS A 61 21.043 -21.630 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 61 19.372 -20.051 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 61 20.562 -22.849 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.501 -22.120 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.641 -21.798 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 61 21.282 -20.240 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.657 -20.893 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 23.064 -22.402 -6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 61 23.732 -19.615 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.862 -20.692 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 25.148 -20.870 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.453 -22.321 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.495 -21.166 -9.413 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.116 1.223 -10.565 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.223 -6.726 -10.467 1.00 0.00 ZN