USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 399 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 38 HIS HE2 : A 38 HIS NE2 : A 63 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HE2 : A 41 HIS NE2 : A 62 ZNZN :(H bumps) USER MOD Set 1.1: A 25 HIS : no HE2:sc= 0.00524 K(o=0.98,f=-7.5!) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0.973 USER MOD Set 2.1: A 15 GLN : amide:sc= -1.36 K(o=-1.3,f=-3) USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= 0.0357 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.761 K(o=-0.82,f=-2.5!) USER MOD Set 3.2: A 60 HIS : no HD1:sc= -0.0561 X(o=-0.82,f=-0.74) USER MOD Single : A 11 ASN : amide:sc= -0.0494 K(o=-0.049,f=-2.7!) USER MOD Single : A 13 SER OG : rot -52:sc= 0.277 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 32 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.00073) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 48 MET CE :methyl -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= -2.93! (180deg=-5.45!) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0859 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 10 -16.181 0.753 17.008 1.00 0.00 N ATOM 2 CA GLU A 10 -15.188 1.275 16.040 1.00 0.00 C ATOM 3 C GLU A 10 -14.380 0.141 15.404 1.00 0.00 C ATOM 4 O GLU A 10 -13.707 0.349 14.395 1.00 0.00 O ATOM 5 CB GLU A 10 -14.233 2.262 16.733 1.00 0.00 C ATOM 6 CG GLU A 10 -13.353 1.621 17.804 1.00 0.00 C ATOM 7 CD GLU A 10 -12.369 2.601 18.429 1.00 0.00 C ATOM 8 OE1 GLU A 10 -11.410 3.011 17.740 1.00 0.00 O ATOM 9 OE2 GLU A 10 -12.537 2.950 19.616 1.00 0.00 O ATOM 0 HA GLU A 10 -15.736 1.792 15.252 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.594 2.724 15.980 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.819 3.061 17.188 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.987 1.203 18.586 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.801 0.791 17.364 1.00 0.00 H new ATOM 18 N ASN A 11 -14.442 -1.058 15.992 1.00 0.00 N ATOM 19 CA ASN A 11 -13.641 -2.187 15.512 1.00 0.00 C ATOM 20 C ASN A 11 -14.132 -2.667 14.145 1.00 0.00 C ATOM 21 O ASN A 11 -15.338 -2.729 13.889 1.00 0.00 O ATOM 22 CB ASN A 11 -13.663 -3.356 16.514 1.00 0.00 C ATOM 23 CG ASN A 11 -15.029 -4.022 16.636 1.00 0.00 C ATOM 24 OD1 ASN A 11 -16.066 -3.372 16.530 1.00 0.00 O ATOM 25 ND2 ASN A 11 -15.034 -5.330 16.852 1.00 0.00 N ATOM 0 H ASN A 11 -15.034 -1.270 16.795 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.614 -1.835 15.413 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.929 -4.102 16.207 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.356 -2.991 17.494 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.919 -5.830 16.936 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.153 -5.837 16.935 1.00 0.00 H new ATOM 32 N VAL A 12 -13.190 -2.996 13.269 1.00 0.00 N ATOM 33 CA VAL A 12 -13.506 -3.525 11.945 1.00 0.00 C ATOM 34 C VAL A 12 -12.783 -4.851 11.721 1.00 0.00 C ATOM 35 O VAL A 12 -11.683 -5.064 12.237 1.00 0.00 O ATOM 36 CB VAL A 12 -13.127 -2.532 10.814 1.00 0.00 C ATOM 37 CG1 VAL A 12 -13.918 -1.229 10.945 1.00 0.00 C ATOM 38 CG2 VAL A 12 -11.624 -2.258 10.802 1.00 0.00 C ATOM 0 H VAL A 12 -12.191 -2.905 13.453 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.584 -3.679 11.909 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.390 -2.994 9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.635 -0.549 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.985 -1.443 10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.698 -0.765 11.907 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.388 -1.559 9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.325 -1.827 11.758 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.085 -3.192 10.640 1.00 0.00 H new ATOM 48 N SER A 13 -13.405 -5.737 10.954 1.00 0.00 N ATOM 49 CA SER A 13 -12.839 -7.051 10.670 1.00 0.00 C ATOM 50 C SER A 13 -12.289 -7.086 9.240 1.00 0.00 C ATOM 51 O SER A 13 -12.109 -8.155 8.650 1.00 0.00 O ATOM 52 CB SER A 13 -13.912 -8.134 10.874 1.00 0.00 C ATOM 53 OG SER A 13 -13.344 -9.436 10.876 1.00 0.00 O ATOM 0 H SER A 13 -14.309 -5.568 10.514 1.00 0.00 H new ATOM 0 HA SER A 13 -12.016 -7.248 11.356 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.431 -7.961 11.817 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.658 -8.062 10.082 1.00 0.00 H new ATOM 0 HG SER A 13 -12.797 -9.556 10.071 1.00 0.00 H new ATOM 59 N GLN A 14 -12.006 -5.906 8.699 1.00 0.00 N ATOM 60 CA GLN A 14 -11.514 -5.768 7.329 1.00 0.00 C ATOM 61 C GLN A 14 -10.125 -5.134 7.325 1.00 0.00 C ATOM 62 O GLN A 14 -9.624 -4.719 8.374 1.00 0.00 O ATOM 63 CB GLN A 14 -12.482 -4.898 6.516 1.00 0.00 C ATOM 64 CG GLN A 14 -12.591 -3.461 7.028 1.00 0.00 C ATOM 65 CD GLN A 14 -13.584 -2.623 6.243 1.00 0.00 C ATOM 66 OE1 GLN A 14 -14.579 -3.135 5.725 1.00 0.00 O ATOM 67 NE2 GLN A 14 -13.323 -1.327 6.149 1.00 0.00 N ATOM 0 H GLN A 14 -12.110 -5.020 9.194 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.450 -6.758 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.156 -4.881 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.471 -5.357 6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.887 -3.477 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.609 -2.989 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.489 -0.941 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.956 -0.715 5.634 1.00 0.00 H new ATOM 76 N GLN A 15 -9.506 -5.069 6.147 1.00 0.00 N ATOM 77 CA GLN A 15 -8.245 -4.349 5.979 1.00 0.00 C ATOM 78 C GLN A 15 -8.545 -2.885 5.648 1.00 0.00 C ATOM 79 O GLN A 15 -9.703 -2.521 5.425 1.00 0.00 O ATOM 80 CB GLN A 15 -7.378 -4.972 4.868 1.00 0.00 C ATOM 81 CG GLN A 15 -6.905 -6.404 5.134 1.00 0.00 C ATOM 82 CD GLN A 15 -8.012 -7.444 5.027 1.00 0.00 C ATOM 83 OE1 GLN A 15 -8.286 -7.965 3.943 1.00 0.00 O ATOM 84 NE2 GLN A 15 -8.631 -7.777 6.149 1.00 0.00 N ATOM 0 H GLN A 15 -9.857 -5.506 5.295 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.683 -4.416 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.946 -4.961 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.503 -4.340 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.115 -6.654 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.467 -6.453 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.376 -7.323 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.363 -8.487 6.136 1.00 0.00 H new ATOM 93 N ASN A 16 -7.512 -2.047 5.613 1.00 0.00 N ATOM 94 CA ASN A 16 -7.695 -0.624 5.323 1.00 0.00 C ATOM 95 C ASN A 16 -6.458 -0.037 4.648 1.00 0.00 C ATOM 96 O ASN A 16 -5.374 -0.621 4.685 1.00 0.00 O ATOM 97 CB ASN A 16 -8.022 0.169 6.608 1.00 0.00 C ATOM 98 CG ASN A 16 -6.925 0.117 7.670 1.00 0.00 C ATOM 99 OD1 ASN A 16 -5.745 -0.064 7.370 1.00 0.00 O ATOM 100 ND2 ASN A 16 -7.307 0.296 8.926 1.00 0.00 N ATOM 0 H ASN A 16 -6.545 -2.324 5.780 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.538 -0.537 4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.207 1.210 6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.946 -0.219 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.615 0.286 9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.293 0.444 9.143 1.00 0.00 H new ATOM 107 N CYS A 17 -6.638 1.111 4.004 1.00 0.00 N ATOM 108 CA CYS A 17 -5.519 1.868 3.454 1.00 0.00 C ATOM 109 C CYS A 17 -5.302 3.132 4.279 1.00 0.00 C ATOM 110 O CYS A 17 -6.088 4.071 4.181 1.00 0.00 O ATOM 111 CB CYS A 17 -5.790 2.264 1.998 1.00 0.00 C ATOM 112 SG CYS A 17 -4.476 3.302 1.271 1.00 0.00 S ATOM 0 H CYS A 17 -7.551 1.539 3.850 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.630 1.238 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.902 1.361 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.737 2.801 1.946 1.00 0.00 H new ATOM 117 N PRO A 18 -4.219 3.192 5.076 1.00 0.00 N ATOM 118 CA PRO A 18 -3.894 4.386 5.870 1.00 0.00 C ATOM 119 C PRO A 18 -3.350 5.511 4.991 1.00 0.00 C ATOM 120 O PRO A 18 -3.299 6.668 5.400 1.00 0.00 O ATOM 121 CB PRO A 18 -2.823 3.881 6.848 1.00 0.00 C ATOM 122 CG PRO A 18 -2.168 2.749 6.132 1.00 0.00 C ATOM 123 CD PRO A 18 -3.248 2.099 5.302 1.00 0.00 C ATOM 0 HA PRO A 18 -4.765 4.809 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.106 4.665 7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.267 3.553 7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.353 3.106 5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.738 2.038 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.853 1.713 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.705 1.259 5.825 1.00 0.00 H new ATOM 131 N ILE A 19 -2.969 5.150 3.763 1.00 0.00 N ATOM 132 CA ILE A 19 -2.384 6.097 2.816 1.00 0.00 C ATOM 133 C ILE A 19 -3.394 7.185 2.430 1.00 0.00 C ATOM 134 O ILE A 19 -3.008 8.284 2.036 1.00 0.00 O ATOM 135 CB ILE A 19 -1.877 5.380 1.528 1.00 0.00 C ATOM 136 CG1 ILE A 19 -1.052 4.128 1.882 1.00 0.00 C ATOM 137 CG2 ILE A 19 -1.048 6.337 0.670 1.00 0.00 C ATOM 138 CD1 ILE A 19 0.189 4.413 2.702 1.00 0.00 C ATOM 0 H ILE A 19 -3.057 4.200 3.401 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.533 6.560 3.315 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.748 5.064 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.686 3.433 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.757 3.628 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.703 5.818 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.661 7.190 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.188 6.686 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.712 3.479 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.846 5.082 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.097 4.884 3.643 1.00 0.00 H new ATOM 150 N CYS A 20 -4.689 6.882 2.556 1.00 0.00 N ATOM 151 CA CYS A 20 -5.733 7.839 2.162 1.00 0.00 C ATOM 152 C CYS A 20 -7.084 7.504 2.797 1.00 0.00 C ATOM 153 O CYS A 20 -8.099 8.093 2.431 1.00 0.00 O ATOM 154 CB CYS A 20 -5.888 7.843 0.636 1.00 0.00 C ATOM 155 SG CYS A 20 -6.583 6.292 -0.030 1.00 0.00 S ATOM 0 H CYS A 20 -5.039 5.996 2.922 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.422 8.822 2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.531 8.674 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.914 8.020 0.180 1.00 0.00 H new ATOM 160 N LEU A 21 -7.093 6.574 3.760 1.00 0.00 N ATOM 161 CA LEU A 21 -8.340 6.050 4.328 1.00 0.00 C ATOM 162 C LEU A 21 -9.249 5.509 3.222 1.00 0.00 C ATOM 163 O LEU A 21 -10.002 6.254 2.589 1.00 0.00 O ATOM 164 CB LEU A 21 -9.069 7.115 5.171 1.00 0.00 C ATOM 165 CG LEU A 21 -8.478 7.378 6.570 1.00 0.00 C ATOM 166 CD1 LEU A 21 -7.038 7.882 6.483 1.00 0.00 C ATOM 167 CD2 LEU A 21 -9.353 8.363 7.340 1.00 0.00 C ATOM 0 H LEU A 21 -6.248 6.168 4.163 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.083 5.227 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.071 8.053 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.109 6.811 5.287 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.461 6.432 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.653 8.057 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.421 7.136 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.012 8.813 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.922 8.538 8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.407 9.305 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.356 7.950 7.450 1.00 0.00 H new ATOM 179 N GLU A 22 -9.146 4.209 2.978 1.00 0.00 N ATOM 180 CA GLU A 22 -9.913 3.552 1.929 1.00 0.00 C ATOM 181 C GLU A 22 -9.975 2.051 2.195 1.00 0.00 C ATOM 182 O GLU A 22 -9.186 1.517 2.979 1.00 0.00 O ATOM 183 CB GLU A 22 -9.277 3.821 0.554 1.00 0.00 C ATOM 184 CG GLU A 22 -10.245 4.365 -0.491 1.00 0.00 C ATOM 185 CD GLU A 22 -11.286 3.345 -0.930 1.00 0.00 C ATOM 186 OE1 GLU A 22 -12.331 3.217 -0.254 1.00 0.00 O ATOM 187 OE2 GLU A 22 -11.057 2.653 -1.945 1.00 0.00 O ATOM 0 H GLU A 22 -8.532 3.583 3.499 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.926 3.955 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.459 4.530 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.842 2.894 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.752 5.241 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.681 4.697 -1.362 1.00 0.00 H new ATOM 194 N ASP A 23 -10.894 1.385 1.514 1.00 0.00 N ATOM 195 CA ASP A 23 -11.094 -0.051 1.660 1.00 0.00 C ATOM 196 C ASP A 23 -9.968 -0.825 0.981 1.00 0.00 C ATOM 197 O ASP A 23 -9.526 -0.468 -0.117 1.00 0.00 O ATOM 198 CB ASP A 23 -12.448 -0.464 1.059 1.00 0.00 C ATOM 199 CG ASP A 23 -12.661 -1.976 1.045 1.00 0.00 C ATOM 200 OD1 ASP A 23 -13.186 -2.521 2.040 1.00 0.00 O ATOM 201 OD2 ASP A 23 -12.323 -2.621 0.028 1.00 0.00 O ATOM 0 H ASP A 23 -11.524 1.824 0.843 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.088 -0.289 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.250 0.005 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.517 -0.084 0.040 1.00 0.00 H new ATOM 206 N ILE A 24 -9.497 -1.864 1.653 1.00 0.00 N ATOM 207 CA ILE A 24 -8.504 -2.773 1.111 1.00 0.00 C ATOM 208 C ILE A 24 -8.848 -4.195 1.539 1.00 0.00 C ATOM 209 O ILE A 24 -9.420 -4.407 2.610 1.00 0.00 O ATOM 210 CB ILE A 24 -7.065 -2.390 1.573 1.00 0.00 C ATOM 211 CG1 ILE A 24 -6.483 -1.291 0.665 1.00 0.00 C ATOM 212 CG2 ILE A 24 -6.144 -3.605 1.615 1.00 0.00 C ATOM 213 CD1 ILE A 24 -5.029 -0.960 0.941 1.00 0.00 C ATOM 0 H ILE A 24 -9.797 -2.101 2.599 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.519 -2.703 0.023 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.135 -2.001 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.581 -1.605 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.078 -0.386 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.151 -3.297 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.544 -4.341 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.079 -4.047 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.698 -0.177 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.924 -0.613 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.419 -1.851 0.794 1.00 0.00 H new ATOM 225 N HIS A 25 -8.517 -5.160 0.694 1.00 0.00 N ATOM 226 CA HIS A 25 -8.784 -6.564 0.980 1.00 0.00 C ATOM 227 C HIS A 25 -7.555 -7.403 0.641 1.00 0.00 C ATOM 228 O HIS A 25 -6.637 -6.925 -0.025 1.00 0.00 O ATOM 229 CB HIS A 25 -10.009 -7.033 0.175 1.00 0.00 C ATOM 230 CG HIS A 25 -10.412 -8.456 0.430 1.00 0.00 C ATOM 231 ND1 HIS A 25 -10.517 -9.399 -0.569 1.00 0.00 N ATOM 232 CD2 HIS A 25 -10.736 -9.094 1.580 1.00 0.00 C ATOM 233 CE1 HIS A 25 -10.882 -10.553 -0.046 1.00 0.00 C ATOM 234 NE2 HIS A 25 -11.022 -10.396 1.255 1.00 0.00 N ATOM 0 H HIS A 25 -8.059 -4.995 -0.203 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.001 -6.687 2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.852 -6.382 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.798 -6.913 -0.888 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -10.340 -9.231 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.764 -8.659 2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.040 -11.472 -0.592 1.00 0.00 H new ATOM 243 N THR A 26 -7.544 -8.648 1.114 1.00 0.00 N ATOM 244 CA THR A 26 -6.466 -9.599 0.832 1.00 0.00 C ATOM 245 C THR A 26 -6.181 -9.719 -0.676 1.00 0.00 C ATOM 246 O THR A 26 -5.136 -10.234 -1.074 1.00 0.00 O ATOM 247 CB THR A 26 -6.828 -10.993 1.395 1.00 0.00 C ATOM 248 OG1 THR A 26 -7.464 -10.847 2.676 1.00 0.00 O ATOM 249 CG2 THR A 26 -5.591 -11.877 1.540 1.00 0.00 C ATOM 0 H THR A 26 -8.283 -9.028 1.705 1.00 0.00 H new ATOM 0 HA THR A 26 -5.566 -9.220 1.317 1.00 0.00 H new ATOM 0 HB THR A 26 -7.508 -11.473 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.694 -11.732 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.883 -12.849 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.123 -12.010 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.883 -11.404 2.221 1.00 0.00 H new ATOM 257 N SER A 27 -7.133 -9.257 -1.494 1.00 0.00 N ATOM 258 CA SER A 27 -7.019 -9.277 -2.951 1.00 0.00 C ATOM 259 C SER A 27 -5.675 -8.712 -3.427 1.00 0.00 C ATOM 260 O SER A 27 -5.556 -7.521 -3.728 1.00 0.00 O ATOM 261 CB SER A 27 -8.174 -8.472 -3.550 1.00 0.00 C ATOM 262 OG SER A 27 -9.420 -8.924 -3.044 1.00 0.00 O ATOM 0 H SER A 27 -8.009 -8.857 -1.158 1.00 0.00 H new ATOM 0 HA SER A 27 -7.069 -10.313 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.045 -7.415 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.163 -8.564 -4.636 1.00 0.00 H new ATOM 0 HG SER A 27 -10.145 -8.395 -3.438 1.00 0.00 H new ATOM 268 N ARG A 28 -4.670 -9.581 -3.491 1.00 0.00 N ATOM 269 CA ARG A 28 -3.313 -9.184 -3.853 1.00 0.00 C ATOM 270 C ARG A 28 -3.166 -9.065 -5.371 1.00 0.00 C ATOM 271 O ARG A 28 -2.117 -8.669 -5.878 1.00 0.00 O ATOM 272 CB ARG A 28 -2.306 -10.198 -3.286 1.00 0.00 C ATOM 273 CG ARG A 28 -0.847 -9.762 -3.397 1.00 0.00 C ATOM 274 CD ARG A 28 0.097 -10.800 -2.805 1.00 0.00 C ATOM 275 NE ARG A 28 0.032 -12.074 -3.523 1.00 0.00 N ATOM 276 CZ ARG A 28 0.189 -13.268 -2.951 1.00 0.00 C ATOM 277 NH1 ARG A 28 0.394 -13.364 -1.641 1.00 0.00 N ATOM 278 NH2 ARG A 28 0.143 -14.364 -3.692 1.00 0.00 N ATOM 0 H ARG A 28 -4.773 -10.577 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.108 -8.204 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.541 -10.378 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.430 -11.147 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.595 -9.596 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.711 -8.811 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.118 -10.419 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.154 -10.962 -1.757 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.145 -12.046 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.432 -12.521 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.513 -14.280 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.012 -14.294 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.263 -15.279 -3.257 1.00 0.00 H new ATOM 292 N VAL A 29 -4.216 -9.427 -6.098 1.00 0.00 N ATOM 293 CA VAL A 29 -4.228 -9.264 -7.548 1.00 0.00 C ATOM 294 C VAL A 29 -4.560 -7.814 -7.902 1.00 0.00 C ATOM 295 O VAL A 29 -4.016 -7.246 -8.854 1.00 0.00 O ATOM 296 CB VAL A 29 -5.246 -10.217 -8.222 1.00 0.00 C ATOM 297 CG1 VAL A 29 -5.195 -10.085 -9.745 1.00 0.00 C ATOM 298 CG2 VAL A 29 -4.995 -11.662 -7.791 1.00 0.00 C ATOM 0 H VAL A 29 -5.067 -9.834 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.236 -9.517 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.246 -9.932 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.919 -10.765 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.434 -9.060 -10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.195 -10.336 -10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.720 -12.317 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.987 -11.959 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.099 -11.742 -6.709 1.00 0.00 H new ATOM 308 N VAL A 30 -5.452 -7.216 -7.115 1.00 0.00 N ATOM 309 CA VAL A 30 -5.829 -5.816 -7.292 1.00 0.00 C ATOM 310 C VAL A 30 -4.898 -4.906 -6.495 1.00 0.00 C ATOM 311 O VAL A 30 -4.302 -3.977 -7.043 1.00 0.00 O ATOM 312 CB VAL A 30 -7.288 -5.553 -6.847 1.00 0.00 C ATOM 313 CG1 VAL A 30 -7.627 -4.065 -6.957 1.00 0.00 C ATOM 314 CG2 VAL A 30 -8.262 -6.397 -7.666 1.00 0.00 C ATOM 0 H VAL A 30 -5.930 -7.683 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.744 -5.596 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.385 -5.845 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.657 -3.902 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.955 -3.491 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.511 -3.741 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.282 -6.197 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.165 -6.143 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.036 -7.454 -7.524 1.00 0.00 H new ATOM 324 N ALA A 31 -4.787 -5.179 -5.199 1.00 0.00 N ATOM 325 CA ALA A 31 -3.939 -4.391 -4.317 1.00 0.00 C ATOM 326 C ALA A 31 -2.475 -4.752 -4.537 1.00 0.00 C ATOM 327 O ALA A 31 -2.071 -5.899 -4.332 1.00 0.00 O ATOM 328 CB ALA A 31 -4.335 -4.611 -2.859 1.00 0.00 C ATOM 0 H ALA A 31 -5.277 -5.944 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.075 -3.335 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.691 -4.014 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.373 -4.310 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.225 -5.666 -2.607 1.00 0.00 H new ATOM 334 N HIS A 32 -1.688 -3.774 -4.972 1.00 0.00 N ATOM 335 CA HIS A 32 -0.273 -3.990 -5.235 1.00 0.00 C ATOM 336 C HIS A 32 0.474 -4.214 -3.924 1.00 0.00 C ATOM 337 O HIS A 32 0.361 -3.416 -2.993 1.00 0.00 O ATOM 338 CB HIS A 32 0.327 -2.799 -5.989 1.00 0.00 C ATOM 339 CG HIS A 32 1.737 -3.037 -6.438 1.00 0.00 C ATOM 340 ND1 HIS A 32 2.052 -3.612 -7.649 1.00 0.00 N ATOM 341 CD2 HIS A 32 2.920 -2.780 -5.832 1.00 0.00 C ATOM 342 CE1 HIS A 32 3.361 -3.695 -7.769 1.00 0.00 C ATOM 343 NE2 HIS A 32 3.914 -3.197 -6.680 1.00 0.00 N ATOM 0 H HIS A 32 -2.009 -2.822 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 32 -0.169 -4.877 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.292 -2.578 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.300 -1.919 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.056 -2.330 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.892 -4.102 -8.617 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.916 -3.133 -6.498 1.00 0.00 H new ATOM 352 N VAL A 33 1.228 -5.304 -3.857 1.00 0.00 N ATOM 353 CA VAL A 33 1.954 -5.657 -2.647 1.00 0.00 C ATOM 354 C VAL A 33 3.341 -5.011 -2.623 1.00 0.00 C ATOM 355 O VAL A 33 4.168 -5.237 -3.511 1.00 0.00 O ATOM 356 CB VAL A 33 2.075 -7.199 -2.484 1.00 0.00 C ATOM 357 CG1 VAL A 33 2.805 -7.835 -3.668 1.00 0.00 C ATOM 358 CG2 VAL A 33 2.757 -7.555 -1.162 1.00 0.00 C ATOM 0 H VAL A 33 1.352 -5.959 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 33 1.380 -5.270 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 33 1.065 -7.609 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.870 -8.913 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.257 -7.629 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.809 -7.418 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.830 -8.639 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.756 -7.121 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.171 -7.160 -0.332 1.00 0.00 H new ATOM 368 N LEU A 34 3.565 -4.170 -1.619 1.00 0.00 N ATOM 369 CA LEU A 34 4.879 -3.589 -1.363 1.00 0.00 C ATOM 370 C LEU A 34 5.878 -4.698 -1.025 1.00 0.00 C ATOM 371 O LEU A 34 5.493 -5.732 -0.476 1.00 0.00 O ATOM 372 CB LEU A 34 4.808 -2.586 -0.196 1.00 0.00 C ATOM 373 CG LEU A 34 4.005 -1.300 -0.456 1.00 0.00 C ATOM 374 CD1 LEU A 34 3.941 -0.446 0.811 1.00 0.00 C ATOM 375 CD2 LEU A 34 4.617 -0.501 -1.610 1.00 0.00 C ATOM 0 H LEU A 34 2.844 -3.872 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 34 5.207 -3.063 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.374 -3.093 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.825 -2.306 0.078 1.00 0.00 H new ATOM 0 HG LEU A 34 2.990 -1.582 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.370 0.460 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.457 -1.012 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.951 -0.177 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.033 0.404 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.643 -0.230 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.611 -1.108 -2.516 1.00 0.00 H new ATOM 387 N PRO A 35 7.170 -4.504 -1.343 1.00 0.00 N ATOM 388 CA PRO A 35 8.226 -5.482 -1.020 1.00 0.00 C ATOM 389 C PRO A 35 8.339 -5.766 0.484 1.00 0.00 C ATOM 390 O PRO A 35 9.009 -6.717 0.893 1.00 0.00 O ATOM 391 CB PRO A 35 9.509 -4.818 -1.548 1.00 0.00 C ATOM 392 CG PRO A 35 9.033 -3.847 -2.575 1.00 0.00 C ATOM 393 CD PRO A 35 7.712 -3.340 -2.071 1.00 0.00 C ATOM 0 HA PRO A 35 8.021 -6.455 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.053 -4.315 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.187 -5.553 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.744 -3.030 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.923 -4.327 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.833 -2.476 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.058 -3.034 -2.888 1.00 0.00 H new ATOM 401 N CYS A 36 7.690 -4.935 1.299 1.00 0.00 N ATOM 402 CA CYS A 36 7.690 -5.111 2.756 1.00 0.00 C ATOM 403 C CYS A 36 6.425 -5.850 3.216 1.00 0.00 C ATOM 404 O CYS A 36 6.168 -5.973 4.413 1.00 0.00 O ATOM 405 CB CYS A 36 7.801 -3.745 3.445 1.00 0.00 C ATOM 406 SG CYS A 36 7.990 -3.793 5.260 1.00 0.00 S ATOM 0 H CYS A 36 7.155 -4.129 0.976 1.00 0.00 H new ATOM 0 HA CYS A 36 8.551 -5.718 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.653 -3.213 3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.911 -3.163 3.205 1.00 0.00 H new ATOM 411 N GLY A 37 5.629 -6.323 2.251 1.00 0.00 N ATOM 412 CA GLY A 37 4.487 -7.182 2.554 1.00 0.00 C ATOM 413 C GLY A 37 3.191 -6.429 2.824 1.00 0.00 C ATOM 414 O GLY A 37 2.278 -6.974 3.446 1.00 0.00 O ATOM 0 H GLY A 37 5.756 -6.125 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.330 -7.865 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.727 -7.792 3.425 1.00 0.00 H new ATOM 418 N HIS A 38 3.102 -5.180 2.377 1.00 0.00 N ATOM 419 CA HIS A 38 1.873 -4.390 2.553 1.00 0.00 C ATOM 420 C HIS A 38 1.094 -4.298 1.251 1.00 0.00 C ATOM 421 O HIS A 38 1.661 -4.460 0.179 1.00 0.00 O ATOM 422 CB HIS A 38 2.197 -2.989 3.055 1.00 0.00 C ATOM 423 CG HIS A 38 3.066 -2.992 4.259 1.00 0.00 C ATOM 424 ND1 HIS A 38 2.841 -3.773 5.370 1.00 0.00 N ATOM 425 CD2 HIS A 38 4.196 -2.302 4.507 1.00 0.00 C ATOM 426 CE1 HIS A 38 3.827 -3.536 6.236 1.00 0.00 C ATOM 427 NE2 HIS A 38 4.675 -2.647 5.757 1.00 0.00 N ATOM 0 H HIS A 38 3.855 -4.690 1.894 1.00 0.00 H new ATOM 0 HA HIS A 38 1.258 -4.899 3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.689 -2.429 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.268 -2.467 3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.061 -4.416 5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.655 -1.592 3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.919 -4.010 7.202 1.00 0.00 H new ATOM 435 N LEU A 39 -0.204 -4.048 1.352 1.00 0.00 N ATOM 436 CA LEU A 39 -1.062 -3.921 0.184 1.00 0.00 C ATOM 437 C LEU A 39 -1.594 -2.493 0.041 1.00 0.00 C ATOM 438 O LEU A 39 -1.982 -1.863 1.026 1.00 0.00 O ATOM 439 CB LEU A 39 -2.226 -4.907 0.305 1.00 0.00 C ATOM 440 CG LEU A 39 -1.842 -6.391 0.174 1.00 0.00 C ATOM 441 CD1 LEU A 39 -3.029 -7.294 0.513 1.00 0.00 C ATOM 442 CD2 LEU A 39 -1.328 -6.688 -1.231 1.00 0.00 C ATOM 0 H LEU A 39 -0.689 -3.928 2.241 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.476 -4.148 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.710 -4.757 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.964 -4.670 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.044 -6.599 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.732 -8.338 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.349 -7.104 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.853 -7.084 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.061 -7.742 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.106 -6.458 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.449 -6.076 -1.434 1.00 0.00 H new ATOM 454 N LEU A 40 -1.584 -1.991 -1.191 1.00 0.00 N ATOM 455 CA LEU A 40 -2.160 -0.687 -1.525 1.00 0.00 C ATOM 456 C LEU A 40 -2.504 -0.637 -3.015 1.00 0.00 C ATOM 457 O LEU A 40 -1.950 -1.394 -3.809 1.00 0.00 O ATOM 458 CB LEU A 40 -1.211 0.473 -1.140 1.00 0.00 C ATOM 459 CG LEU A 40 0.295 0.150 -1.097 1.00 0.00 C ATOM 460 CD1 LEU A 40 0.804 -0.310 -2.457 1.00 0.00 C ATOM 461 CD2 LEU A 40 1.082 1.365 -0.610 1.00 0.00 C ATOM 0 H LEU A 40 -1.176 -2.477 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.074 -0.560 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.364 1.287 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.508 0.844 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 40 0.444 -0.670 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.870 -0.530 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.267 -1.208 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.640 0.478 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.145 1.124 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.916 2.202 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.747 1.638 0.391 1.00 0.00 H new ATOM 473 N HIS A 41 -3.425 0.250 -3.385 1.00 0.00 N ATOM 474 CA HIS A 41 -3.844 0.387 -4.787 1.00 0.00 C ATOM 475 C HIS A 41 -2.749 1.053 -5.630 1.00 0.00 C ATOM 476 O HIS A 41 -1.806 1.638 -5.087 1.00 0.00 O ATOM 477 CB HIS A 41 -5.176 1.163 -4.913 1.00 0.00 C ATOM 478 CG HIS A 41 -5.618 1.857 -3.665 1.00 0.00 C ATOM 479 ND1 HIS A 41 -6.367 1.274 -2.676 1.00 0.00 N ATOM 480 CD2 HIS A 41 -5.356 3.105 -3.245 1.00 0.00 C ATOM 481 CE1 HIS A 41 -6.523 2.175 -1.699 1.00 0.00 C ATOM 482 NE2 HIS A 41 -5.916 3.315 -1.993 1.00 0.00 N ATOM 0 H HIS A 41 -3.896 0.884 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 41 -4.008 -0.619 -5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.075 1.903 -5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.957 0.468 -5.222 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -6.739 0.324 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.791 3.839 -3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -7.073 1.996 -0.787 1.00 0.00 H new ATOM 490 N ARG A 42 -2.911 0.974 -6.954 1.00 0.00 N ATOM 491 CA ARG A 42 -1.897 1.413 -7.922 1.00 0.00 C ATOM 492 C ARG A 42 -1.358 2.813 -7.629 1.00 0.00 C ATOM 493 O ARG A 42 -0.172 2.975 -7.334 1.00 0.00 O ATOM 494 CB ARG A 42 -2.473 1.374 -9.347 1.00 0.00 C ATOM 495 CG ARG A 42 -2.747 -0.032 -9.874 1.00 0.00 C ATOM 496 CD ARG A 42 -1.466 -0.853 -9.969 1.00 0.00 C ATOM 497 NE ARG A 42 -0.423 -0.147 -10.726 1.00 0.00 N ATOM 498 CZ ARG A 42 0.855 -0.530 -10.799 1.00 0.00 C ATOM 499 NH1 ARG A 42 1.259 -1.657 -10.223 1.00 0.00 N ATOM 500 NH2 ARG A 42 1.725 0.211 -11.466 1.00 0.00 N ATOM 0 H ARG A 42 -3.755 0.601 -7.389 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.061 0.719 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.402 1.944 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.777 1.873 -10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.456 -0.536 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.213 0.031 -10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.101 -1.075 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.681 -1.808 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.694 0.696 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.591 -2.240 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.237 -1.939 -10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.419 1.071 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.702 -0.077 -11.524 1.00 0.00 H new ATOM 514 N THR A 43 -2.220 3.820 -7.709 1.00 0.00 N ATOM 515 CA THR A 43 -1.785 5.202 -7.545 1.00 0.00 C ATOM 516 C THR A 43 -1.170 5.413 -6.159 1.00 0.00 C ATOM 517 O THR A 43 -0.128 6.052 -6.028 1.00 0.00 O ATOM 518 CB THR A 43 -2.953 6.190 -7.772 1.00 0.00 C ATOM 519 OG1 THR A 43 -3.590 5.905 -9.029 1.00 0.00 O ATOM 520 CG2 THR A 43 -2.465 7.640 -7.763 1.00 0.00 C ATOM 0 H THR A 43 -3.218 3.707 -7.885 1.00 0.00 H new ATOM 0 HA THR A 43 -1.024 5.402 -8.299 1.00 0.00 H new ATOM 0 HB THR A 43 -3.666 6.065 -6.957 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.331 6.531 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.310 8.309 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.005 7.863 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.732 7.782 -8.557 1.00 0.00 H new ATOM 528 N CYS A 44 -1.793 4.827 -5.133 1.00 0.00 N ATOM 529 CA CYS A 44 -1.283 4.929 -3.762 1.00 0.00 C ATOM 530 C CYS A 44 0.106 4.287 -3.657 1.00 0.00 C ATOM 531 O CYS A 44 0.918 4.672 -2.816 1.00 0.00 O ATOM 532 CB CYS A 44 -2.265 4.279 -2.771 1.00 0.00 C ATOM 533 SG CYS A 44 -3.110 5.443 -1.646 1.00 0.00 S ATOM 0 H CYS A 44 -2.648 4.279 -5.224 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.190 5.984 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.019 3.732 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.722 3.548 -2.172 1.00 0.00 H new ATOM 538 N TYR A 45 0.369 3.309 -4.526 1.00 0.00 N ATOM 539 CA TYR A 45 1.686 2.681 -4.619 1.00 0.00 C ATOM 540 C TYR A 45 2.686 3.658 -5.228 1.00 0.00 C ATOM 541 O TYR A 45 3.805 3.805 -4.739 1.00 0.00 O ATOM 542 CB TYR A 45 1.601 1.398 -5.466 1.00 0.00 C ATOM 543 CG TYR A 45 2.939 0.874 -5.963 1.00 0.00 C ATOM 544 CD1 TYR A 45 3.901 0.395 -5.077 1.00 0.00 C ATOM 545 CD2 TYR A 45 3.237 0.855 -7.324 1.00 0.00 C ATOM 546 CE1 TYR A 45 5.117 -0.084 -5.533 1.00 0.00 C ATOM 547 CE2 TYR A 45 4.448 0.376 -7.785 1.00 0.00 C ATOM 548 CZ TYR A 45 5.384 -0.092 -6.888 1.00 0.00 C ATOM 549 OH TYR A 45 6.592 -0.573 -7.348 1.00 0.00 O ATOM 0 H TYR A 45 -0.319 2.934 -5.179 1.00 0.00 H new ATOM 0 HA TYR A 45 2.025 2.413 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.119 0.620 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.959 1.589 -6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.695 0.397 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.508 1.221 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.853 -0.450 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.660 0.368 -8.844 1.00 0.00 H new ATOM 0 HH TYR A 45 6.619 -0.509 -8.326 1.00 0.00 H new ATOM 559 N GLU A 46 2.262 4.326 -6.291 1.00 0.00 N ATOM 560 CA GLU A 46 3.098 5.298 -6.986 1.00 0.00 C ATOM 561 C GLU A 46 3.365 6.513 -6.098 1.00 0.00 C ATOM 562 O GLU A 46 4.387 7.184 -6.238 1.00 0.00 O ATOM 563 CB GLU A 46 2.422 5.718 -8.295 1.00 0.00 C ATOM 564 CG GLU A 46 2.176 4.550 -9.247 1.00 0.00 C ATOM 565 CD GLU A 46 1.377 4.946 -10.476 1.00 0.00 C ATOM 566 OE1 GLU A 46 1.908 5.704 -11.314 1.00 0.00 O ATOM 567 OE2 GLU A 46 0.215 4.505 -10.609 1.00 0.00 O ATOM 0 H GLU A 46 1.333 4.211 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 46 4.058 4.838 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.471 6.199 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.043 6.461 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.134 4.136 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.646 3.760 -8.715 1.00 0.00 H new ATOM 574 N GLU A 47 2.431 6.791 -5.191 1.00 0.00 N ATOM 575 CA GLU A 47 2.600 7.857 -4.207 1.00 0.00 C ATOM 576 C GLU A 47 3.611 7.437 -3.141 1.00 0.00 C ATOM 577 O GLU A 47 4.578 8.152 -2.867 1.00 0.00 O ATOM 578 CB GLU A 47 1.255 8.192 -3.545 1.00 0.00 C ATOM 579 CG GLU A 47 0.201 8.724 -4.512 1.00 0.00 C ATOM 580 CD GLU A 47 -1.120 9.040 -3.826 1.00 0.00 C ATOM 581 OE1 GLU A 47 -1.231 10.124 -3.216 1.00 0.00 O ATOM 582 OE2 GLU A 47 -2.050 8.207 -3.891 1.00 0.00 O ATOM 0 H GLU A 47 1.546 6.290 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 47 2.972 8.744 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.868 7.296 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.422 8.932 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.579 9.625 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.031 7.988 -5.298 1.00 0.00 H new ATOM 589 N MET A 48 3.385 6.259 -2.563 1.00 0.00 N ATOM 590 CA MET A 48 4.221 5.749 -1.478 1.00 0.00 C ATOM 591 C MET A 48 5.660 5.547 -1.948 1.00 0.00 C ATOM 592 O MET A 48 6.598 6.088 -1.359 1.00 0.00 O ATOM 593 CB MET A 48 3.639 4.431 -0.939 1.00 0.00 C ATOM 594 CG MET A 48 4.377 3.859 0.270 1.00 0.00 C ATOM 595 SD MET A 48 6.032 3.255 -0.128 1.00 0.00 S ATOM 596 CE MET A 48 6.606 2.730 1.487 1.00 0.00 C ATOM 0 H MET A 48 2.624 5.635 -2.831 1.00 0.00 H new ATOM 0 HA MET A 48 4.230 6.485 -0.674 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.596 4.593 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.649 3.690 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.453 4.628 1.039 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.791 3.043 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.642 2.399 1.415 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.540 3.564 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.986 1.908 1.844 1.00 0.00 H new ATOM 606 N LEU A 49 5.817 4.785 -3.028 1.00 0.00 N ATOM 607 CA LEU A 49 7.136 4.456 -3.570 1.00 0.00 C ATOM 608 C LEU A 49 7.881 5.719 -4.012 1.00 0.00 C ATOM 609 O LEU A 49 9.114 5.762 -3.998 1.00 0.00 O ATOM 610 CB LEU A 49 6.995 3.474 -4.746 1.00 0.00 C ATOM 611 CG LEU A 49 8.313 3.074 -5.434 1.00 0.00 C ATOM 612 CD1 LEU A 49 9.249 2.365 -4.456 1.00 0.00 C ATOM 613 CD2 LEU A 49 8.043 2.197 -6.654 1.00 0.00 C ATOM 0 H LEU A 49 5.040 4.380 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 49 7.721 3.981 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.504 2.570 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.336 3.919 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 49 8.805 3.986 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.172 2.093 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.478 3.031 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.766 1.464 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.988 1.927 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.520 1.292 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.427 2.745 -7.367 1.00 0.00 H new ATOM 625 N LYS A 50 7.127 6.744 -4.402 1.00 0.00 N ATOM 626 CA LYS A 50 7.709 8.019 -4.817 1.00 0.00 C ATOM 627 C LYS A 50 8.493 8.650 -3.669 1.00 0.00 C ATOM 628 O LYS A 50 9.578 9.201 -3.867 1.00 0.00 O ATOM 629 CB LYS A 50 6.604 8.973 -5.290 1.00 0.00 C ATOM 630 CG LYS A 50 7.108 10.347 -5.727 1.00 0.00 C ATOM 631 CD LYS A 50 5.987 11.230 -6.283 1.00 0.00 C ATOM 632 CE LYS A 50 5.517 10.786 -7.671 1.00 0.00 C ATOM 633 NZ LYS A 50 4.858 9.451 -7.662 1.00 0.00 N ATOM 0 H LYS A 50 6.108 6.717 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 50 8.396 7.834 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.073 8.512 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.882 9.103 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.574 10.847 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.880 10.223 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.142 11.213 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.335 12.262 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.821 11.526 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.372 10.759 -8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.079 9.444 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.552 8.720 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.482 9.256 -6.712 1.00 0.00 H new ATOM 647 N GLU A 51 7.937 8.555 -2.469 1.00 0.00 N ATOM 648 CA GLU A 51 8.556 9.133 -1.281 1.00 0.00 C ATOM 649 C GLU A 51 9.524 8.143 -0.630 1.00 0.00 C ATOM 650 O GLU A 51 10.543 8.544 -0.062 1.00 0.00 O ATOM 651 CB GLU A 51 7.471 9.558 -0.283 1.00 0.00 C ATOM 652 CG GLU A 51 6.555 10.664 -0.797 1.00 0.00 C ATOM 653 CD GLU A 51 7.287 11.979 -1.021 1.00 0.00 C ATOM 654 OE1 GLU A 51 7.447 12.748 -0.049 1.00 0.00 O ATOM 655 OE2 GLU A 51 7.715 12.252 -2.163 1.00 0.00 O ATOM 0 H GLU A 51 7.052 8.080 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 51 9.128 10.011 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.866 8.688 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.949 9.895 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.097 10.344 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.746 10.821 -0.083 1.00 0.00 H new ATOM 662 N GLY A 52 9.199 6.852 -0.721 1.00 0.00 N ATOM 663 CA GLY A 52 10.028 5.815 -0.119 1.00 0.00 C ATOM 664 C GLY A 52 10.129 5.961 1.389 1.00 0.00 C ATOM 665 O GLY A 52 11.133 5.580 2.000 1.00 0.00 O ATOM 0 H GLY A 52 8.371 6.504 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.614 4.836 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.027 5.854 -0.553 1.00 0.00 H new ATOM 669 N TYR A 53 9.076 6.508 1.989 1.00 0.00 N ATOM 670 CA TYR A 53 9.060 6.807 3.420 1.00 0.00 C ATOM 671 C TYR A 53 8.707 5.564 4.240 1.00 0.00 C ATOM 672 O TYR A 53 8.395 4.506 3.683 1.00 0.00 O ATOM 673 CB TYR A 53 8.071 7.950 3.713 1.00 0.00 C ATOM 674 CG TYR A 53 6.606 7.609 3.470 1.00 0.00 C ATOM 675 CD1 TYR A 53 6.103 7.476 2.181 1.00 0.00 C ATOM 676 CD2 TYR A 53 5.729 7.424 4.533 1.00 0.00 C ATOM 677 CE1 TYR A 53 4.774 7.170 1.961 1.00 0.00 C ATOM 678 CE2 TYR A 53 4.400 7.118 4.319 1.00 0.00 C ATOM 679 CZ TYR A 53 3.927 6.992 3.033 1.00 0.00 C ATOM 680 OH TYR A 53 2.603 6.686 2.816 1.00 0.00 O ATOM 0 H TYR A 53 8.215 6.756 1.502 1.00 0.00 H new ATOM 0 HA TYR A 53 10.060 7.125 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.190 8.256 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.337 8.808 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.763 7.614 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.094 7.521 5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.400 7.071 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.734 6.978 5.158 1.00 0.00 H new ATOM 0 HH TYR A 53 2.144 6.592 3.677 1.00 0.00 H new ATOM 690 N ARG A 54 8.786 5.698 5.564 1.00 0.00 N ATOM 691 CA ARG A 54 8.438 4.615 6.485 1.00 0.00 C ATOM 692 C ARG A 54 6.996 4.150 6.256 1.00 0.00 C ATOM 693 O ARG A 54 6.101 4.963 6.037 1.00 0.00 O ATOM 694 CB ARG A 54 8.640 5.054 7.952 1.00 0.00 C ATOM 695 CG ARG A 54 7.632 6.085 8.482 1.00 0.00 C ATOM 696 CD ARG A 54 7.661 7.401 7.707 1.00 0.00 C ATOM 697 NE ARG A 54 9.009 7.970 7.619 1.00 0.00 N ATOM 698 CZ ARG A 54 9.316 9.080 6.943 1.00 0.00 C ATOM 699 NH1 ARG A 54 8.367 9.791 6.348 1.00 0.00 N ATOM 700 NH2 ARG A 54 10.571 9.489 6.869 1.00 0.00 N ATOM 0 H ARG A 54 9.091 6.554 6.026 1.00 0.00 H new ATOM 0 HA ARG A 54 9.105 3.776 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.595 4.169 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.643 5.468 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.628 5.663 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.843 6.284 9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.273 7.236 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.998 8.118 8.190 1.00 0.00 H new ATOM 0 HE ARG A 54 9.763 7.486 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.394 9.491 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.611 10.638 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.309 8.956 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.801 10.337 6.352 1.00 0.00 H new ATOM 714 N CYS A 55 6.782 2.841 6.297 1.00 0.00 N ATOM 715 CA CYS A 55 5.475 2.259 5.997 1.00 0.00 C ATOM 716 C CYS A 55 4.601 2.121 7.245 1.00 0.00 C ATOM 717 O CYS A 55 4.824 1.226 8.059 1.00 0.00 O ATOM 718 CB CYS A 55 5.651 0.889 5.344 1.00 0.00 C ATOM 719 SG CYS A 55 7.068 -0.066 5.951 1.00 0.00 S ATOM 0 H CYS A 55 7.500 2.157 6.536 1.00 0.00 H new ATOM 0 HA CYS A 55 4.969 2.939 5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.743 0.307 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.757 1.026 4.268 1.00 0.00 H new ATOM 724 N PRO A 56 3.557 2.971 7.383 1.00 0.00 N ATOM 725 CA PRO A 56 2.640 2.927 8.534 1.00 0.00 C ATOM 726 C PRO A 56 1.858 1.611 8.601 1.00 0.00 C ATOM 727 O PRO A 56 1.270 1.274 9.631 1.00 0.00 O ATOM 728 CB PRO A 56 1.692 4.115 8.292 1.00 0.00 C ATOM 729 CG PRO A 56 1.779 4.382 6.826 1.00 0.00 C ATOM 730 CD PRO A 56 3.193 4.047 6.436 1.00 0.00 C ATOM 0 HA PRO A 56 3.173 2.987 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.672 3.874 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.995 4.987 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.065 3.771 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.547 5.423 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.257 3.711 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.853 4.909 6.533 1.00 0.00 H new ATOM 738 N LEU A 57 1.868 0.859 7.499 1.00 0.00 N ATOM 739 CA LEU A 57 1.165 -0.419 7.438 1.00 0.00 C ATOM 740 C LEU A 57 1.937 -1.490 8.210 1.00 0.00 C ATOM 741 O LEU A 57 1.465 -2.610 8.365 1.00 0.00 O ATOM 742 CB LEU A 57 0.939 -0.863 5.980 1.00 0.00 C ATOM 743 CG LEU A 57 0.116 0.106 5.103 1.00 0.00 C ATOM 744 CD1 LEU A 57 0.978 1.253 4.576 1.00 0.00 C ATOM 745 CD2 LEU A 57 -0.559 -0.633 3.948 1.00 0.00 C ATOM 0 H LEU A 57 2.355 1.114 6.640 1.00 0.00 H new ATOM 0 HA LEU A 57 0.188 -0.287 7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.911 -1.012 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.438 -1.831 5.988 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.662 0.534 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.367 1.915 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.391 1.813 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.792 0.849 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.131 0.075 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.200 -1.106 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.228 -1.396 4.346 1.00 0.00 H new ATOM 757 N CYS A 58 3.138 -1.141 8.671 1.00 0.00 N ATOM 758 CA CYS A 58 3.918 -2.018 9.549 1.00 0.00 C ATOM 759 C CYS A 58 3.299 -2.037 10.948 1.00 0.00 C ATOM 760 O CYS A 58 3.305 -3.064 11.632 1.00 0.00 O ATOM 761 CB CYS A 58 5.388 -1.559 9.605 1.00 0.00 C ATOM 762 SG CYS A 58 6.546 -2.660 8.734 1.00 0.00 S ATOM 0 H CYS A 58 3.594 -0.255 8.451 1.00 0.00 H new ATOM 0 HA CYS A 58 3.898 -3.031 9.146 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.462 -0.560 9.176 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.693 -1.481 10.648 1.00 0.00 H new ATOM 767 N MET A 59 2.756 -0.892 11.361 1.00 0.00 N ATOM 768 CA MET A 59 2.054 -0.772 12.636 1.00 0.00 C ATOM 769 C MET A 59 0.693 -1.463 12.559 1.00 0.00 C ATOM 770 O MET A 59 0.339 -2.263 13.428 1.00 0.00 O ATOM 771 CB MET A 59 1.872 0.710 12.996 1.00 0.00 C ATOM 772 CG MET A 59 1.018 0.953 14.235 1.00 0.00 C ATOM 773 SD MET A 59 0.763 2.711 14.558 1.00 0.00 S ATOM 774 CE MET A 59 -0.366 2.647 15.950 1.00 0.00 C ATOM 0 H MET A 59 2.791 -0.026 10.823 1.00 0.00 H new ATOM 0 HA MET A 59 2.648 -1.256 13.411 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.854 1.157 13.152 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.418 1.225 12.149 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.051 0.465 14.109 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.497 0.493 15.099 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.616 3.661 16.263 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.276 2.123 15.657 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.106 2.118 16.778 1.00 0.00 H new ATOM 784 N HIS A 60 -0.060 -1.146 11.504 1.00 0.00 N ATOM 785 CA HIS A 60 -1.392 -1.720 11.296 1.00 0.00 C ATOM 786 C HIS A 60 -1.295 -3.186 10.880 1.00 0.00 C ATOM 787 O HIS A 60 -0.440 -3.552 10.076 1.00 0.00 O ATOM 788 CB HIS A 60 -2.165 -0.924 10.231 1.00 0.00 C ATOM 789 CG HIS A 60 -3.468 -1.561 9.831 1.00 0.00 C ATOM 790 ND1 HIS A 60 -4.610 -1.490 10.597 1.00 0.00 N ATOM 791 CD2 HIS A 60 -3.796 -2.302 8.745 1.00 0.00 C ATOM 792 CE1 HIS A 60 -5.579 -2.158 10.004 1.00 0.00 C ATOM 793 NE2 HIS A 60 -5.112 -2.661 8.879 1.00 0.00 N ATOM 0 H HIS A 60 0.231 -0.492 10.777 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.932 -1.662 12.241 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.362 0.079 10.611 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.538 -0.813 9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.142 -2.562 7.926 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.586 -2.274 10.377 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.643 -3.225 8.216 1.00 0.00 H new ATOM 802 N SER A 61 -2.180 -4.012 11.425 1.00 0.00 N ATOM 803 CA SER A 61 -2.220 -5.434 11.101 1.00 0.00 C ATOM 804 C SER A 61 -3.537 -5.778 10.395 1.00 0.00 C ATOM 805 O SER A 61 -3.533 -5.911 9.151 1.00 0.00 O ATOM 806 CB SER A 61 -2.053 -6.258 12.382 1.00 0.00 C ATOM 807 OG SER A 61 -0.883 -5.863 13.083 1.00 0.00 O ATOM 808 OXT SER A 61 -4.575 -5.880 11.079 1.00 0.00 O ATOM 0 H SER A 61 -2.886 -3.718 12.100 1.00 0.00 H new ATOM 0 HA SER A 61 -1.401 -5.675 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.927 -6.128 13.020 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.994 -7.318 12.134 1.00 0.00 H new ATOM 0 HG SER A 61 -0.794 -6.399 13.899 1.00 0.00 H new TER 814 SER A 61 HETATM 815 ZN ZN A 62 -5.049 4.599 -0.608 1.00 0.00 ZN HETATM 816 ZN ZN A 63 6.596 -2.310 6.433 1.00 0.00 ZN