USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 CYS SG : rot 123:sc= -1.09 USER MOD Set 1.2: A 58 HIS : no HD1:sc= -1.17 K(o=-2.3,f=-1.4) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.903 K(o=1.9,f=-1.1) USER MOD Set 2.2: A 71 SER OG : rot 168:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.213 (180deg=-0.934) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00661 (180deg=-0.215) USER MOD Single : A 4 THR OG1 : rot 110:sc= -0.215 USER MOD Single : A 5 CYS SG : rot -129:sc= -0.767 USER MOD Single : A 9 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=-0.044) USER MOD Single : A 10 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.023) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 95:sc= 0.71 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 42 GLN : amide:sc= -0.739 X(o=-0.74,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0423) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.00118 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 56 ASN : amide:sc= -0.0308 K(o=-0.031,f=-5.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.186 K(o=0.19,f=-5.5!) USER MOD Single : A 73 GLN : amide:sc= -0.649 K(o=-0.65,f=-3.6!) USER MOD Single : A 76 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-1.9) USER MOD Single : A 77 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.019) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 79 HIS : no HD1:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.736 0.656 5.521 1.00 0.00 N ATOM 2 CA MET A 1 14.217 0.628 4.131 1.00 0.00 C ATOM 3 C MET A 1 13.436 1.898 3.821 1.00 0.00 C ATOM 4 O MET A 1 13.552 2.451 2.727 1.00 0.00 O ATOM 5 CB MET A 1 13.313 -0.587 3.912 1.00 0.00 C ATOM 6 CG MET A 1 14.015 -1.923 4.092 1.00 0.00 C ATOM 7 SD MET A 1 12.928 -3.328 3.782 1.00 0.00 S ATOM 8 CE MET A 1 11.584 -2.977 4.915 1.00 0.00 C ATOM 0 H1 MET A 1 15.427 -0.110 5.649 1.00 0.00 H new ATOM 0 H2 MET A 1 15.196 1.571 5.701 1.00 0.00 H new ATOM 0 H3 MET A 1 13.949 0.527 6.188 1.00 0.00 H new ATOM 0 HA MET A 1 15.074 0.561 3.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.475 -0.533 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.897 -0.540 2.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.869 -1.974 3.417 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.407 -1.989 5.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.013 -3.888 5.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.989 -2.611 5.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.932 -2.219 4.482 1.00 0.00 H new ATOM 20 N GLU A 2 12.639 2.349 4.795 1.00 0.00 N ATOM 21 CA GLU A 2 11.802 3.542 4.650 1.00 0.00 C ATOM 22 C GLU A 2 10.776 3.351 3.537 1.00 0.00 C ATOM 23 O GLU A 2 10.621 2.260 2.986 1.00 0.00 O ATOM 24 CB GLU A 2 12.647 4.789 4.337 1.00 0.00 C ATOM 25 CG GLU A 2 13.799 5.025 5.296 1.00 0.00 C ATOM 26 CD GLU A 2 14.538 6.317 5.012 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.364 6.344 4.074 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.310 7.309 5.740 1.00 0.00 O ATOM 0 H GLU A 2 12.557 1.897 5.706 1.00 0.00 H new ATOM 0 HA GLU A 2 11.291 3.689 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.045 4.698 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.998 5.664 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.418 5.045 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.497 4.190 5.232 1.00 0.00 H new ATOM 35 N ILE A 3 10.052 4.414 3.241 1.00 0.00 N ATOM 36 CA ILE A 3 9.255 4.489 2.032 1.00 0.00 C ATOM 37 C ILE A 3 9.943 5.457 1.085 1.00 0.00 C ATOM 38 O ILE A 3 9.850 6.668 1.244 1.00 0.00 O ATOM 39 CB ILE A 3 7.797 4.935 2.308 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.760 6.132 3.269 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.989 3.770 2.863 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.368 6.671 3.526 1.00 0.00 C ATOM 0 H ILE A 3 10.000 5.246 3.829 1.00 0.00 H new ATOM 0 HA ILE A 3 9.185 3.495 1.590 1.00 0.00 H new ATOM 0 HB ILE A 3 7.349 5.252 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.205 5.836 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.379 6.931 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.966 4.095 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.982 2.955 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.439 3.426 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.426 7.515 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.926 6.999 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.750 5.887 3.964 1.00 0.00 H new ATOM 54 N THR A 4 10.685 4.923 0.133 1.00 0.00 N ATOM 55 CA THR A 4 11.607 5.745 -0.627 1.00 0.00 C ATOM 56 C THR A 4 11.288 5.764 -2.120 1.00 0.00 C ATOM 57 O THR A 4 11.179 4.715 -2.760 1.00 0.00 O ATOM 58 CB THR A 4 13.045 5.242 -0.427 1.00 0.00 C ATOM 59 OG1 THR A 4 13.242 4.868 0.940 1.00 0.00 O ATOM 60 CG2 THR A 4 14.046 6.317 -0.789 1.00 0.00 C ATOM 0 H THR A 4 10.669 3.938 -0.130 1.00 0.00 H new ATOM 0 HA THR A 4 11.502 6.763 -0.253 1.00 0.00 H new ATOM 0 HB THR A 4 13.197 4.380 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.324 3.894 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.057 5.938 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.915 6.599 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.888 7.190 -0.155 1.00 0.00 H new ATOM 68 N CYS A 5 11.133 6.970 -2.660 1.00 0.00 N ATOM 69 CA CYS A 5 11.012 7.158 -4.097 1.00 0.00 C ATOM 70 C CYS A 5 12.348 6.814 -4.755 1.00 0.00 C ATOM 71 O CYS A 5 13.381 7.400 -4.413 1.00 0.00 O ATOM 72 CB CYS A 5 10.610 8.604 -4.411 1.00 0.00 C ATOM 73 SG CYS A 5 10.379 8.972 -6.173 1.00 0.00 S ATOM 0 H CYS A 5 11.088 7.833 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 5 10.236 6.501 -4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.683 8.830 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.374 9.272 -4.013 1.00 0.00 H new ATOM 0 HG CYS A 5 11.063 10.032 -6.488 1.00 0.00 H new ATOM 78 N PRO A 6 12.336 5.857 -5.698 1.00 0.00 N ATOM 79 CA PRO A 6 13.555 5.310 -6.317 1.00 0.00 C ATOM 80 C PRO A 6 14.488 6.379 -6.888 1.00 0.00 C ATOM 81 O PRO A 6 15.706 6.286 -6.749 1.00 0.00 O ATOM 82 CB PRO A 6 13.024 4.411 -7.445 1.00 0.00 C ATOM 83 CG PRO A 6 11.575 4.748 -7.586 1.00 0.00 C ATOM 84 CD PRO A 6 11.126 5.223 -6.239 1.00 0.00 C ATOM 0 HA PRO A 6 14.162 4.787 -5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.560 4.594 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.158 3.357 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.426 5.520 -8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.001 3.877 -7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.299 5.929 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.786 4.399 -5.612 1.00 0.00 H new ATOM 92 N VAL A 7 13.915 7.400 -7.511 1.00 0.00 N ATOM 93 CA VAL A 7 14.712 8.432 -8.167 1.00 0.00 C ATOM 94 C VAL A 7 15.210 9.477 -7.160 1.00 0.00 C ATOM 95 O VAL A 7 16.085 10.286 -7.466 1.00 0.00 O ATOM 96 CB VAL A 7 13.900 9.123 -9.294 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.747 9.936 -8.723 1.00 0.00 C ATOM 98 CG2 VAL A 7 14.794 9.989 -10.171 1.00 0.00 C ATOM 0 H VAL A 7 12.906 7.537 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 7 15.580 7.943 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 7 13.479 8.338 -9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.197 10.408 -9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.079 9.279 -8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.139 10.704 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.194 10.459 -10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.265 10.760 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.564 9.369 -10.630 1.00 0.00 H new ATOM 108 N CYS A 8 14.682 9.437 -5.944 1.00 0.00 N ATOM 109 CA CYS A 8 15.011 10.453 -4.951 1.00 0.00 C ATOM 110 C CYS A 8 15.987 9.945 -3.902 1.00 0.00 C ATOM 111 O CYS A 8 17.010 10.581 -3.644 1.00 0.00 O ATOM 112 CB CYS A 8 13.746 10.945 -4.250 1.00 0.00 C ATOM 113 SG CYS A 8 12.543 11.714 -5.347 1.00 0.00 S ATOM 0 H CYS A 8 14.031 8.721 -5.623 1.00 0.00 H new ATOM 0 HA CYS A 8 15.486 11.272 -5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.273 10.103 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 8 14.027 11.662 -3.479 1.00 0.00 H new ATOM 118 N HIS A 9 15.659 8.805 -3.295 1.00 0.00 N ATOM 119 CA HIS A 9 16.356 8.336 -2.098 1.00 0.00 C ATOM 120 C HIS A 9 16.328 9.439 -1.037 1.00 0.00 C ATOM 121 O HIS A 9 17.323 9.729 -0.376 1.00 0.00 O ATOM 122 CB HIS A 9 17.795 7.904 -2.415 1.00 0.00 C ATOM 123 CG HIS A 9 18.416 7.080 -1.325 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.134 5.744 -1.143 1.00 0.00 N ATOM 125 CD2 HIS A 9 19.291 7.410 -0.344 1.00 0.00 C ATOM 126 CE1 HIS A 9 18.799 5.293 -0.098 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.509 6.282 0.405 1.00 0.00 N ATOM 0 H HIS A 9 14.912 8.187 -3.614 1.00 0.00 H new ATOM 0 HA HIS A 9 15.843 7.455 -1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.800 7.332 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.405 8.791 -2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.734 8.381 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.767 4.283 0.282 1.00 0.00 H new ATOM 0 HE2 HIS A 9 20.121 6.219 1.219 1.00 0.00 H new ATOM 136 N HIS A 10 15.162 10.059 -0.903 1.00 0.00 N ATOM 137 CA HIS A 10 14.959 11.163 0.029 1.00 0.00 C ATOM 138 C HIS A 10 13.705 10.921 0.861 1.00 0.00 C ATOM 139 O HIS A 10 13.096 11.865 1.364 1.00 0.00 O ATOM 140 CB HIS A 10 14.826 12.487 -0.733 1.00 0.00 C ATOM 141 CG HIS A 10 16.129 13.189 -0.996 1.00 0.00 C ATOM 142 ND1 HIS A 10 17.044 12.776 -1.944 1.00 0.00 N ATOM 143 CD2 HIS A 10 16.652 14.304 -0.435 1.00 0.00 C ATOM 144 CE1 HIS A 10 18.068 13.611 -1.956 1.00 0.00 C ATOM 145 NE2 HIS A 10 17.855 14.545 -1.048 1.00 0.00 N ATOM 0 H HIS A 10 14.329 9.811 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 10 15.823 11.221 0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.333 12.295 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.176 13.154 -0.166 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.945 11.955 -2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.205 14.895 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.933 13.541 -2.600 1.00 0.00 H new ATOM 154 N ALA A 11 13.345 9.645 1.001 1.00 0.00 N ATOM 155 CA ALA A 11 12.148 9.227 1.734 1.00 0.00 C ATOM 156 C ALA A 11 10.863 9.767 1.100 1.00 0.00 C ATOM 157 O ALA A 11 10.882 10.349 0.010 1.00 0.00 O ATOM 158 CB ALA A 11 12.242 9.641 3.199 1.00 0.00 C ATOM 0 H ALA A 11 13.877 8.869 0.608 1.00 0.00 H new ATOM 0 HA ALA A 11 12.100 8.139 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.343 9.321 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.115 9.173 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.335 10.725 3.266 1.00 0.00 H new ATOM 164 N LEU A 12 9.747 9.532 1.782 1.00 0.00 N ATOM 165 CA LEU A 12 8.435 9.991 1.344 1.00 0.00 C ATOM 166 C LEU A 12 7.597 10.368 2.555 1.00 0.00 C ATOM 167 O LEU A 12 7.919 9.987 3.683 1.00 0.00 O ATOM 168 CB LEU A 12 7.703 8.900 0.548 1.00 0.00 C ATOM 169 CG LEU A 12 8.270 8.594 -0.838 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.562 7.396 -1.451 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.130 9.807 -1.740 1.00 0.00 C ATOM 0 H LEU A 12 9.728 9.014 2.660 1.00 0.00 H new ATOM 0 HA LEU A 12 8.577 10.858 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.712 7.981 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.660 9.196 0.436 1.00 0.00 H new ATOM 0 HG LEU A 12 9.328 8.353 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.979 7.193 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.702 6.524 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.497 7.611 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.537 9.577 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.076 10.070 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.676 10.646 -1.309 1.00 0.00 H new ATOM 183 N GLU A 13 6.526 11.109 2.323 1.00 0.00 N ATOM 184 CA GLU A 13 5.616 11.480 3.392 1.00 0.00 C ATOM 185 C GLU A 13 4.218 10.966 3.071 1.00 0.00 C ATOM 186 O GLU A 13 3.692 11.209 1.983 1.00 0.00 O ATOM 187 CB GLU A 13 5.596 13.001 3.572 1.00 0.00 C ATOM 188 CG GLU A 13 5.639 13.450 5.026 1.00 0.00 C ATOM 189 CD GLU A 13 4.520 12.863 5.860 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.408 13.429 5.854 1.00 0.00 O ATOM 191 OE2 GLU A 13 4.751 11.833 6.532 1.00 0.00 O ATOM 0 H GLU A 13 6.266 11.465 1.403 1.00 0.00 H new ATOM 0 HA GLU A 13 5.958 11.030 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.447 13.431 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.696 13.401 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.597 13.164 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.583 14.538 5.066 1.00 0.00 H new ATOM 198 N ARG A 14 3.627 10.241 4.007 1.00 0.00 N ATOM 199 CA ARG A 14 2.288 9.707 3.818 1.00 0.00 C ATOM 200 C ARG A 14 1.253 10.795 4.068 1.00 0.00 C ATOM 201 O ARG A 14 1.091 11.268 5.195 1.00 0.00 O ATOM 202 CB ARG A 14 2.043 8.515 4.745 1.00 0.00 C ATOM 203 CG ARG A 14 0.642 7.931 4.633 1.00 0.00 C ATOM 204 CD ARG A 14 0.423 6.805 5.629 1.00 0.00 C ATOM 205 NE ARG A 14 0.622 7.244 7.011 1.00 0.00 N ATOM 206 CZ ARG A 14 -0.164 6.888 8.028 1.00 0.00 C ATOM 207 NH1 ARG A 14 -1.229 6.124 7.821 1.00 0.00 N ATOM 208 NH2 ARG A 14 0.109 7.303 9.254 1.00 0.00 N ATOM 0 H ARG A 14 4.053 10.009 4.904 1.00 0.00 H new ATOM 0 HA ARG A 14 2.195 9.361 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.771 7.736 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.216 8.826 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.095 8.716 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.483 7.558 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.588 6.413 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.108 5.987 5.407 1.00 0.00 H new ATOM 0 HE ARG A 14 1.410 7.860 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.452 5.804 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.825 5.856 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.922 7.896 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.493 7.030 10.031 1.00 0.00 H new ATOM 222 N ASN A 15 0.558 11.182 3.010 1.00 0.00 N ATOM 223 CA ASN A 15 -0.424 12.257 3.080 1.00 0.00 C ATOM 224 C ASN A 15 -1.732 11.738 3.667 1.00 0.00 C ATOM 225 O ASN A 15 -2.601 12.509 4.076 1.00 0.00 O ATOM 226 CB ASN A 15 -0.662 12.832 1.680 1.00 0.00 C ATOM 227 CG ASN A 15 -1.468 14.120 1.689 1.00 0.00 C ATOM 228 OD1 ASN A 15 -2.257 14.375 0.780 1.00 0.00 O ATOM 229 ND2 ASN A 15 -1.255 14.953 2.697 1.00 0.00 N ATOM 0 H ASN A 15 0.656 10.765 2.084 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.043 13.046 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.300 13.017 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.182 12.090 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.754 15.842 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.593 14.705 3.432 1.00 0.00 H new ATOM 236 N GLY A 16 -1.858 10.421 3.704 1.00 0.00 N ATOM 237 CA GLY A 16 -3.044 9.793 4.245 1.00 0.00 C ATOM 238 C GLY A 16 -3.329 8.480 3.558 1.00 0.00 C ATOM 239 O GLY A 16 -3.042 7.411 4.096 1.00 0.00 O ATOM 0 H GLY A 16 -1.151 9.769 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.915 9.626 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.898 10.461 4.128 1.00 0.00 H new ATOM 243 N ASP A 17 -3.883 8.568 2.359 1.00 0.00 N ATOM 244 CA ASP A 17 -4.141 7.391 1.539 1.00 0.00 C ATOM 245 C ASP A 17 -3.085 7.278 0.448 1.00 0.00 C ATOM 246 O ASP A 17 -2.936 6.237 -0.194 1.00 0.00 O ATOM 247 CB ASP A 17 -5.543 7.456 0.916 1.00 0.00 C ATOM 248 CG ASP A 17 -5.738 8.670 0.026 1.00 0.00 C ATOM 249 OD1 ASP A 17 -6.063 9.755 0.552 1.00 0.00 O ATOM 250 OD2 ASP A 17 -5.574 8.549 -1.203 1.00 0.00 O ATOM 0 H ASP A 17 -4.165 9.448 1.928 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.093 6.508 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.718 6.552 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.288 7.471 1.711 1.00 0.00 H new ATOM 255 N THR A 18 -2.346 8.359 0.249 1.00 0.00 N ATOM 256 CA THR A 18 -1.281 8.379 -0.737 1.00 0.00 C ATOM 257 C THR A 18 0.047 8.760 -0.095 1.00 0.00 C ATOM 258 O THR A 18 0.093 9.214 1.052 1.00 0.00 O ATOM 259 CB THR A 18 -1.593 9.369 -1.880 1.00 0.00 C ATOM 260 OG1 THR A 18 -1.923 10.657 -1.343 1.00 0.00 O ATOM 261 CG2 THR A 18 -2.738 8.866 -2.749 1.00 0.00 C ATOM 0 H THR A 18 -2.466 9.234 0.759 1.00 0.00 H new ATOM 0 HA THR A 18 -1.208 7.373 -1.150 1.00 0.00 H new ATOM 0 HB THR A 18 -0.702 9.453 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.117 11.277 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.934 9.585 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.468 7.905 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.633 8.748 -2.139 1.00 0.00 H new ATOM 269 N ALA A 19 1.123 8.562 -0.836 1.00 0.00 N ATOM 270 CA ALA A 19 2.440 9.002 -0.411 1.00 0.00 C ATOM 271 C ALA A 19 2.887 10.145 -1.303 1.00 0.00 C ATOM 272 O ALA A 19 2.927 10.005 -2.524 1.00 0.00 O ATOM 273 CB ALA A 19 3.438 7.855 -0.467 1.00 0.00 C ATOM 0 H ALA A 19 1.109 8.095 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 19 2.391 9.344 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.417 8.209 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.107 7.052 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.506 7.481 -1.489 1.00 0.00 H new ATOM 279 N HIS A 20 3.198 11.277 -0.697 1.00 0.00 N ATOM 280 CA HIS A 20 3.511 12.473 -1.457 1.00 0.00 C ATOM 281 C HIS A 20 5.015 12.645 -1.599 1.00 0.00 C ATOM 282 O HIS A 20 5.743 12.706 -0.606 1.00 0.00 O ATOM 283 CB HIS A 20 2.897 13.710 -0.795 1.00 0.00 C ATOM 284 CG HIS A 20 2.971 14.941 -1.645 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.025 15.246 -2.599 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.890 15.933 -1.699 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.361 16.369 -3.203 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.486 16.807 -2.674 1.00 0.00 N ATOM 0 H HIS A 20 3.240 11.393 0.316 1.00 0.00 H new ATOM 0 HA HIS A 20 3.081 12.361 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.853 13.505 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.408 13.899 0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.776 16.020 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.808 16.849 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.977 17.659 -2.946 1.00 0.00 H new ATOM 297 N CYS A 21 5.473 12.715 -2.834 1.00 0.00 N ATOM 298 CA CYS A 21 6.874 12.949 -3.113 1.00 0.00 C ATOM 299 C CYS A 21 7.114 14.442 -3.283 1.00 0.00 C ATOM 300 O CYS A 21 6.596 15.050 -4.218 1.00 0.00 O ATOM 301 CB CYS A 21 7.287 12.211 -4.388 1.00 0.00 C ATOM 302 SG CYS A 21 9.060 11.878 -4.517 1.00 0.00 S ATOM 0 H CYS A 21 4.890 12.612 -3.664 1.00 0.00 H new ATOM 0 HA CYS A 21 7.471 12.576 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.747 11.265 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.976 12.800 -5.251 1.00 0.00 H new ATOM 307 N GLU A 22 7.869 15.035 -2.369 1.00 0.00 N ATOM 308 CA GLU A 22 8.183 16.453 -2.459 1.00 0.00 C ATOM 309 C GLU A 22 9.256 16.675 -3.520 1.00 0.00 C ATOM 310 O GLU A 22 9.053 17.422 -4.477 1.00 0.00 O ATOM 311 CB GLU A 22 8.632 16.991 -1.101 1.00 0.00 C ATOM 312 CG GLU A 22 8.757 18.504 -1.063 1.00 0.00 C ATOM 313 CD GLU A 22 7.536 19.198 -1.632 1.00 0.00 C ATOM 314 OE1 GLU A 22 6.424 18.993 -1.104 1.00 0.00 O ATOM 315 OE2 GLU A 22 7.682 19.950 -2.615 1.00 0.00 O ATOM 0 H GLU A 22 8.273 14.560 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 22 7.287 17.000 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.920 16.673 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.594 16.548 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.909 18.828 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.640 18.807 -1.626 1.00 0.00 H new ATOM 322 N THR A 23 10.392 16.013 -3.349 1.00 0.00 N ATOM 323 CA THR A 23 11.416 15.989 -4.378 1.00 0.00 C ATOM 324 C THR A 23 10.876 15.237 -5.591 1.00 0.00 C ATOM 325 O THR A 23 10.620 14.041 -5.504 1.00 0.00 O ATOM 326 CB THR A 23 12.704 15.321 -3.859 1.00 0.00 C ATOM 327 OG1 THR A 23 12.373 14.159 -3.079 1.00 0.00 O ATOM 328 CG2 THR A 23 13.515 16.290 -3.012 1.00 0.00 C ATOM 0 H THR A 23 10.625 15.486 -2.507 1.00 0.00 H new ATOM 0 HA THR A 23 11.667 17.012 -4.660 1.00 0.00 H new ATOM 0 HB THR A 23 13.305 15.025 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.406 13.362 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.419 15.795 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.788 17.158 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.920 16.613 -2.158 1.00 0.00 H new ATOM 336 N CYS A 24 10.707 15.944 -6.703 1.00 0.00 N ATOM 337 CA CYS A 24 9.904 15.480 -7.842 1.00 0.00 C ATOM 338 C CYS A 24 8.466 15.227 -7.375 1.00 0.00 C ATOM 339 O CYS A 24 8.147 14.187 -6.791 1.00 0.00 O ATOM 340 CB CYS A 24 10.515 14.247 -8.565 1.00 0.00 C ATOM 341 SG CYS A 24 10.161 12.608 -7.850 1.00 0.00 S ATOM 0 H CYS A 24 11.125 16.864 -6.846 1.00 0.00 H new ATOM 0 HA CYS A 24 9.902 16.267 -8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.162 14.250 -9.596 1.00 0.00 H new ATOM 0 HB3 CYS A 24 11.597 14.376 -8.598 1.00 0.00 H new ATOM 346 N ALA A 25 7.615 16.219 -7.599 1.00 0.00 N ATOM 347 CA ALA A 25 6.254 16.213 -7.083 1.00 0.00 C ATOM 348 C ALA A 25 5.379 15.191 -7.791 1.00 0.00 C ATOM 349 O ALA A 25 4.920 15.412 -8.910 1.00 0.00 O ATOM 350 CB ALA A 25 5.642 17.600 -7.194 1.00 0.00 C ATOM 0 H ALA A 25 7.849 17.050 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 25 6.305 15.926 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.624 17.581 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.238 18.308 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.625 17.907 -8.240 1.00 0.00 H new ATOM 356 N LYS A 26 5.183 14.061 -7.139 1.00 0.00 N ATOM 357 CA LYS A 26 4.249 13.052 -7.600 1.00 0.00 C ATOM 358 C LYS A 26 3.721 12.277 -6.403 1.00 0.00 C ATOM 359 O LYS A 26 4.413 12.145 -5.391 1.00 0.00 O ATOM 360 CB LYS A 26 4.900 12.105 -8.617 1.00 0.00 C ATOM 361 CG LYS A 26 6.165 11.421 -8.120 1.00 0.00 C ATOM 362 CD LYS A 26 6.612 10.325 -9.078 1.00 0.00 C ATOM 363 CE LYS A 26 6.951 10.871 -10.458 1.00 0.00 C ATOM 364 NZ LYS A 26 7.148 9.778 -11.448 1.00 0.00 N ATOM 0 H LYS A 26 5.667 13.817 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 26 3.421 13.547 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.176 11.341 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.137 12.668 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.961 12.158 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.987 10.994 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.484 9.818 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.822 9.579 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.150 11.529 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.856 11.476 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.377 10.187 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.929 9.165 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.276 9.216 -11.523 1.00 0.00 H new ATOM 378 N ASP A 27 2.500 11.794 -6.503 1.00 0.00 N ATOM 379 CA ASP A 27 1.892 11.049 -5.414 1.00 0.00 C ATOM 380 C ASP A 27 1.688 9.596 -5.807 1.00 0.00 C ATOM 381 O ASP A 27 1.497 9.274 -6.983 1.00 0.00 O ATOM 382 CB ASP A 27 0.560 11.680 -4.993 1.00 0.00 C ATOM 383 CG ASP A 27 -0.406 11.845 -6.149 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.308 12.864 -6.870 1.00 0.00 O ATOM 385 OD2 ASP A 27 -1.268 10.965 -6.343 1.00 0.00 O ATOM 0 H ASP A 27 1.907 11.903 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 27 2.571 11.086 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.097 11.061 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.751 12.655 -4.544 1.00 0.00 H new ATOM 390 N PHE A 28 1.763 8.720 -4.823 1.00 0.00 N ATOM 391 CA PHE A 28 1.591 7.296 -5.048 1.00 0.00 C ATOM 392 C PHE A 28 0.419 6.772 -4.233 1.00 0.00 C ATOM 393 O PHE A 28 0.342 7.019 -3.029 1.00 0.00 O ATOM 394 CB PHE A 28 2.860 6.536 -4.654 1.00 0.00 C ATOM 395 CG PHE A 28 4.105 7.008 -5.352 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.388 6.601 -6.645 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.996 7.855 -4.710 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.537 7.029 -7.286 1.00 0.00 C ATOM 399 CE2 PHE A 28 6.146 8.285 -5.344 1.00 0.00 C ATOM 400 CZ PHE A 28 6.416 7.871 -6.634 1.00 0.00 C ATOM 0 H PHE A 28 1.944 8.972 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 28 1.393 7.140 -6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.004 6.627 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.717 5.477 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.704 5.942 -7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.788 8.183 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.746 6.705 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.832 8.943 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.314 8.206 -7.132 1.00 0.00 H new ATOM 410 N SER A 29 -0.493 6.064 -4.881 1.00 0.00 N ATOM 411 CA SER A 29 -1.600 5.434 -4.178 1.00 0.00 C ATOM 412 C SER A 29 -1.098 4.221 -3.403 1.00 0.00 C ATOM 413 O SER A 29 -0.459 3.331 -3.973 1.00 0.00 O ATOM 414 CB SER A 29 -2.692 5.023 -5.168 1.00 0.00 C ATOM 415 OG SER A 29 -3.174 6.147 -5.892 1.00 0.00 O ATOM 0 H SER A 29 -0.489 5.911 -5.890 1.00 0.00 H new ATOM 0 HA SER A 29 -2.026 6.149 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.298 4.281 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.515 4.552 -4.631 1.00 0.00 H new ATOM 0 HG SER A 29 -3.870 5.858 -6.519 1.00 0.00 H new ATOM 421 N LEU A 30 -1.371 4.191 -2.107 1.00 0.00 N ATOM 422 CA LEU A 30 -0.868 3.131 -1.251 1.00 0.00 C ATOM 423 C LEU A 30 -1.936 2.083 -0.991 1.00 0.00 C ATOM 424 O LEU A 30 -3.092 2.405 -0.715 1.00 0.00 O ATOM 425 CB LEU A 30 -0.356 3.703 0.074 1.00 0.00 C ATOM 426 CG LEU A 30 0.823 4.671 -0.047 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.263 5.143 1.329 1.00 0.00 C ATOM 428 CD2 LEU A 30 1.982 4.014 -0.782 1.00 0.00 C ATOM 0 H LEU A 30 -1.938 4.889 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.038 2.651 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.178 4.217 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.061 2.875 0.719 1.00 0.00 H new ATOM 0 HG LEU A 30 0.500 5.538 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.102 5.831 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.434 5.652 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.568 4.285 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.811 4.718 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.306 3.130 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.660 3.723 -1.782 1.00 0.00 H new ATOM 440 N GLN A 31 -1.542 0.828 -1.095 1.00 0.00 N ATOM 441 CA GLN A 31 -2.439 -0.286 -0.864 1.00 0.00 C ATOM 442 C GLN A 31 -1.943 -1.131 0.301 1.00 0.00 C ATOM 443 O GLN A 31 -0.820 -1.636 0.273 1.00 0.00 O ATOM 444 CB GLN A 31 -2.546 -1.143 -2.128 1.00 0.00 C ATOM 445 CG GLN A 31 -3.458 -2.350 -1.980 1.00 0.00 C ATOM 446 CD GLN A 31 -3.481 -3.218 -3.222 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.300 -2.732 -4.340 1.00 0.00 O ATOM 448 NE2 GLN A 31 -3.697 -4.510 -3.037 1.00 0.00 N ATOM 0 H GLN A 31 -0.591 0.553 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.426 0.104 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.912 -0.522 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.550 -1.485 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.129 -2.947 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.470 -2.011 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.842 -4.873 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.718 -5.143 -3.836 1.00 0.00 H new ATOM 457 N ALA A 32 -2.766 -1.267 1.331 1.00 0.00 N ATOM 458 CA ALA A 32 -2.437 -2.119 2.461 1.00 0.00 C ATOM 459 C ALA A 32 -2.399 -3.576 2.017 1.00 0.00 C ATOM 460 O ALA A 32 -3.411 -4.128 1.581 1.00 0.00 O ATOM 461 CB ALA A 32 -3.443 -1.923 3.589 1.00 0.00 C ATOM 0 H ALA A 32 -3.668 -0.797 1.406 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.452 -1.843 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.181 -2.569 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.427 -0.883 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.442 -2.177 3.234 1.00 0.00 H new ATOM 467 N LEU A 33 -1.227 -4.183 2.095 1.00 0.00 N ATOM 468 CA LEU A 33 -1.052 -5.559 1.668 1.00 0.00 C ATOM 469 C LEU A 33 -0.452 -6.393 2.797 1.00 0.00 C ATOM 470 O LEU A 33 0.214 -5.865 3.688 1.00 0.00 O ATOM 471 CB LEU A 33 -0.154 -5.609 0.428 1.00 0.00 C ATOM 472 CG LEU A 33 -0.103 -6.954 -0.293 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.490 -7.352 -0.774 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.870 -6.888 -1.459 1.00 0.00 C ATOM 0 H LEU A 33 -0.380 -3.741 2.452 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.026 -5.978 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.495 -4.851 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.859 -5.336 0.723 1.00 0.00 H new ATOM 0 HG LEU A 33 0.247 -7.713 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.436 -8.313 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.162 -7.433 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.868 -6.595 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.897 -7.853 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.546 -6.119 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.866 -6.644 -1.089 1.00 0.00 H new ATOM 486 N CYS A 34 -0.696 -7.692 2.759 1.00 0.00 N ATOM 487 CA CYS A 34 -0.237 -8.585 3.806 1.00 0.00 C ATOM 488 C CYS A 34 0.956 -9.401 3.302 1.00 0.00 C ATOM 489 O CYS A 34 0.900 -9.985 2.222 1.00 0.00 O ATOM 490 CB CYS A 34 -1.389 -9.499 4.232 1.00 0.00 C ATOM 491 SG CYS A 34 -1.226 -10.215 5.884 1.00 0.00 S ATOM 0 H CYS A 34 -1.212 -8.152 2.009 1.00 0.00 H new ATOM 0 HA CYS A 34 0.087 -8.008 4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.318 -8.931 4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.477 -10.309 3.508 1.00 0.00 H new ATOM 496 N PRO A 35 2.045 -9.450 4.081 1.00 0.00 N ATOM 497 CA PRO A 35 3.303 -10.103 3.671 1.00 0.00 C ATOM 498 C PRO A 35 3.150 -11.599 3.377 1.00 0.00 C ATOM 499 O PRO A 35 3.751 -12.117 2.437 1.00 0.00 O ATOM 500 CB PRO A 35 4.228 -9.894 4.877 1.00 0.00 C ATOM 501 CG PRO A 35 3.320 -9.587 6.019 1.00 0.00 C ATOM 502 CD PRO A 35 2.148 -8.863 5.426 1.00 0.00 C ATOM 0 HA PRO A 35 3.676 -9.678 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.823 -10.785 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.927 -9.077 4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.002 -10.500 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.824 -8.971 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.239 -9.022 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.316 -7.787 5.385 1.00 0.00 H new ATOM 510 N ASP A 36 2.347 -12.280 4.181 1.00 0.00 N ATOM 511 CA ASP A 36 2.147 -13.727 4.044 1.00 0.00 C ATOM 512 C ASP A 36 1.154 -14.052 2.933 1.00 0.00 C ATOM 513 O ASP A 36 1.044 -15.199 2.503 1.00 0.00 O ATOM 514 CB ASP A 36 1.618 -14.307 5.355 1.00 0.00 C ATOM 515 CG ASP A 36 0.291 -13.691 5.729 1.00 0.00 C ATOM 516 OD1 ASP A 36 0.257 -12.509 6.075 1.00 0.00 O ATOM 517 OD2 ASP A 36 -0.758 -14.346 5.639 1.00 0.00 O ATOM 0 H ASP A 36 1.817 -11.856 4.942 1.00 0.00 H new ATOM 0 HA ASP A 36 3.112 -14.168 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.506 -15.387 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.341 -14.131 6.151 1.00 0.00 H new ATOM 522 N CYS A 37 0.424 -13.043 2.482 1.00 0.00 N ATOM 523 CA CYS A 37 -0.607 -13.243 1.478 1.00 0.00 C ATOM 524 C CYS A 37 -0.795 -11.985 0.640 1.00 0.00 C ATOM 525 O CYS A 37 -1.563 -11.088 0.995 1.00 0.00 O ATOM 526 CB CYS A 37 -1.927 -13.675 2.139 1.00 0.00 C ATOM 527 SG CYS A 37 -2.284 -12.866 3.726 1.00 0.00 S ATOM 0 H CYS A 37 0.527 -12.078 2.796 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.288 -14.043 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.746 -13.470 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.904 -14.754 2.294 1.00 0.00 H new ATOM 532 N ARG A 38 -0.057 -11.914 -0.461 1.00 0.00 N ATOM 533 CA ARG A 38 -0.119 -10.765 -1.351 1.00 0.00 C ATOM 534 C ARG A 38 -1.263 -10.919 -2.343 1.00 0.00 C ATOM 535 O ARG A 38 -1.061 -11.263 -3.510 1.00 0.00 O ATOM 536 CB ARG A 38 1.208 -10.574 -2.091 1.00 0.00 C ATOM 537 CG ARG A 38 2.381 -10.281 -1.173 1.00 0.00 C ATOM 538 CD ARG A 38 3.634 -9.957 -1.967 1.00 0.00 C ATOM 539 NE ARG A 38 4.757 -9.601 -1.101 1.00 0.00 N ATOM 540 CZ ARG A 38 5.866 -9.001 -1.527 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.027 -8.712 -2.813 1.00 0.00 N ATOM 542 NH2 ARG A 38 6.831 -8.709 -0.665 1.00 0.00 N ATOM 0 H ARG A 38 0.593 -12.642 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.301 -9.878 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.425 -11.473 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.102 -9.756 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.135 -9.444 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.567 -11.142 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.907 -10.816 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.427 -9.132 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 38 4.686 -9.826 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.297 -8.950 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.881 -8.252 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.722 -8.944 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.682 -8.249 -0.989 1.00 0.00 H new ATOM 556 N GLN A 39 -2.465 -10.689 -1.843 1.00 0.00 N ATOM 557 CA GLN A 39 -3.687 -10.790 -2.625 1.00 0.00 C ATOM 558 C GLN A 39 -4.690 -9.773 -2.094 1.00 0.00 C ATOM 559 O GLN A 39 -4.392 -9.076 -1.124 1.00 0.00 O ATOM 560 CB GLN A 39 -4.268 -12.206 -2.523 1.00 0.00 C ATOM 561 CG GLN A 39 -3.479 -13.254 -3.284 1.00 0.00 C ATOM 562 CD GLN A 39 -4.076 -14.637 -3.155 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.676 -14.978 -2.137 1.00 0.00 O ATOM 564 NE2 GLN A 39 -3.929 -15.440 -4.191 1.00 0.00 N ATOM 0 H GLN A 39 -2.623 -10.424 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.471 -10.585 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.315 -12.493 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.292 -12.195 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.436 -12.977 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.453 -13.269 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.424 -15.119 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.320 -16.382 -4.166 1.00 0.00 H new ATOM 573 N PRO A 40 -5.873 -9.639 -2.725 1.00 0.00 N ATOM 574 CA PRO A 40 -6.951 -8.822 -2.173 1.00 0.00 C ATOM 575 C PRO A 40 -7.316 -9.282 -0.766 1.00 0.00 C ATOM 576 O PRO A 40 -7.890 -10.356 -0.578 1.00 0.00 O ATOM 577 CB PRO A 40 -8.124 -9.036 -3.141 1.00 0.00 C ATOM 578 CG PRO A 40 -7.751 -10.226 -3.960 1.00 0.00 C ATOM 579 CD PRO A 40 -6.251 -10.237 -4.016 1.00 0.00 C ATOM 0 HA PRO A 40 -6.673 -7.772 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.054 -9.208 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.279 -8.159 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.131 -11.143 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.178 -10.160 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.858 -11.248 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.873 -9.656 -4.857 1.00 0.00 H new ATOM 587 N LEU A 41 -6.937 -8.480 0.220 1.00 0.00 N ATOM 588 CA LEU A 41 -7.163 -8.821 1.616 1.00 0.00 C ATOM 589 C LEU A 41 -8.633 -8.681 1.973 1.00 0.00 C ATOM 590 O LEU A 41 -9.475 -8.449 1.105 1.00 0.00 O ATOM 591 CB LEU A 41 -6.320 -7.926 2.524 1.00 0.00 C ATOM 592 CG LEU A 41 -4.815 -7.972 2.269 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.084 -7.086 3.266 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.304 -9.404 2.345 1.00 0.00 C ATOM 0 H LEU A 41 -6.470 -7.585 0.077 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.866 -9.859 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.660 -6.897 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.505 -8.210 3.560 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.620 -7.595 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.012 -7.128 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.431 -6.058 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.284 -7.436 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.230 -9.417 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.507 -9.811 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.809 -10.011 1.593 1.00 0.00 H new ATOM 606 N GLN A 42 -8.940 -8.803 3.254 1.00 0.00 N ATOM 607 CA GLN A 42 -10.310 -8.712 3.696 1.00 0.00 C ATOM 608 C GLN A 42 -10.688 -7.248 3.788 1.00 0.00 C ATOM 609 O GLN A 42 -10.276 -6.547 4.712 1.00 0.00 O ATOM 610 CB GLN A 42 -10.496 -9.423 5.038 1.00 0.00 C ATOM 611 CG GLN A 42 -9.878 -10.815 5.072 1.00 0.00 C ATOM 612 CD GLN A 42 -10.282 -11.674 3.887 1.00 0.00 C ATOM 613 OE1 GLN A 42 -11.384 -11.549 3.355 1.00 0.00 O ATOM 614 NE2 GLN A 42 -9.381 -12.544 3.458 1.00 0.00 N ATOM 0 H GLN A 42 -8.260 -8.964 3.997 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.966 -9.209 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.052 -8.816 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.561 -9.500 5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.792 -10.724 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.174 -11.315 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.478 -12.617 3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.590 -13.142 2.658 1.00 0.00 H new ATOM 623 N VAL A 43 -11.422 -6.792 2.789 1.00 0.00 N ATOM 624 CA VAL A 43 -11.778 -5.393 2.679 1.00 0.00 C ATOM 625 C VAL A 43 -12.785 -5.022 3.753 1.00 0.00 C ATOM 626 O VAL A 43 -13.971 -5.344 3.655 1.00 0.00 O ATOM 627 CB VAL A 43 -12.355 -5.064 1.284 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.616 -3.572 1.145 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.419 -5.549 0.187 1.00 0.00 C ATOM 0 H VAL A 43 -11.785 -7.378 2.037 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.869 -4.808 2.816 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.306 -5.587 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.022 -3.364 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.331 -3.255 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.682 -3.025 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.844 -5.307 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.451 -5.059 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.291 -6.628 0.269 1.00 0.00 H new ATOM 639 N LEU A 44 -12.297 -4.374 4.790 1.00 0.00 N ATOM 640 CA LEU A 44 -13.133 -3.951 5.890 1.00 0.00 C ATOM 641 C LEU A 44 -13.397 -2.458 5.776 1.00 0.00 C ATOM 642 O LEU A 44 -12.468 -1.652 5.812 1.00 0.00 O ATOM 643 CB LEU A 44 -12.449 -4.282 7.221 1.00 0.00 C ATOM 644 CG LEU A 44 -12.003 -5.742 7.379 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.333 -5.948 8.727 1.00 0.00 C ATOM 646 CD2 LEU A 44 -13.190 -6.683 7.224 1.00 0.00 C ATOM 0 H LEU A 44 -11.313 -4.127 4.893 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.085 -4.480 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.577 -3.638 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.133 -4.037 8.034 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.280 -5.969 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.022 -6.988 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.460 -5.300 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.036 -5.704 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.855 -7.714 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.936 -6.457 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.631 -6.553 6.236 1.00 0.00 H new ATOM 658 N LYS A 45 -14.656 -2.087 5.602 1.00 0.00 N ATOM 659 CA LYS A 45 -14.998 -0.685 5.425 1.00 0.00 C ATOM 660 C LYS A 45 -15.169 0.016 6.765 1.00 0.00 C ATOM 661 O LYS A 45 -15.933 -0.427 7.625 1.00 0.00 O ATOM 662 CB LYS A 45 -16.264 -0.528 4.581 1.00 0.00 C ATOM 663 CG LYS A 45 -16.076 -0.927 3.126 1.00 0.00 C ATOM 664 CD LYS A 45 -17.263 -0.506 2.274 1.00 0.00 C ATOM 665 CE LYS A 45 -17.066 -0.882 0.813 1.00 0.00 C ATOM 666 NZ LYS A 45 -17.094 -2.352 0.604 1.00 0.00 N ATOM 0 H LYS A 45 -15.449 -2.728 5.580 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.170 -0.214 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.059 -1.134 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.594 0.510 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.167 -0.469 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.943 -2.007 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.169 -0.979 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.407 0.571 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.846 -0.416 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.113 -0.485 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.075 -2.558 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.265 -2.783 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.962 -2.745 1.021 1.00 0.00 H new ATOM 680 N ALA A 46 -14.442 1.108 6.934 1.00 0.00 N ATOM 681 CA ALA A 46 -14.542 1.929 8.127 1.00 0.00 C ATOM 682 C ALA A 46 -15.526 3.065 7.887 1.00 0.00 C ATOM 683 O ALA A 46 -16.245 3.059 6.887 1.00 0.00 O ATOM 684 CB ALA A 46 -13.173 2.473 8.507 1.00 0.00 C ATOM 0 H ALA A 46 -13.767 1.449 6.249 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.907 1.319 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.261 3.087 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.493 1.644 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.782 3.079 7.689 1.00 0.00 H new ATOM 690 N CYS A 47 -15.562 4.026 8.802 1.00 0.00 N ATOM 691 CA CYS A 47 -16.434 5.190 8.672 1.00 0.00 C ATOM 692 C CYS A 47 -16.238 5.878 7.321 1.00 0.00 C ATOM 693 O CYS A 47 -17.189 6.059 6.556 1.00 0.00 O ATOM 694 CB CYS A 47 -16.157 6.169 9.814 1.00 0.00 C ATOM 695 SG CYS A 47 -14.399 6.522 10.064 1.00 0.00 S ATOM 0 H CYS A 47 -14.993 4.023 9.649 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.470 4.855 8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -16.681 7.104 9.614 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -16.571 5.763 10.737 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.260 7.360 11.048 1.00 0.00 H new ATOM 701 N GLY A 48 -15.001 6.248 7.029 1.00 0.00 N ATOM 702 CA GLY A 48 -14.691 6.873 5.761 1.00 0.00 C ATOM 703 C GLY A 48 -13.349 6.425 5.229 1.00 0.00 C ATOM 704 O GLY A 48 -12.602 7.219 4.661 1.00 0.00 O ATOM 0 H GLY A 48 -14.202 6.126 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.469 6.631 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.692 7.957 5.880 1.00 0.00 H new ATOM 708 N ALA A 49 -13.047 5.148 5.422 1.00 0.00 N ATOM 709 CA ALA A 49 -11.776 4.584 4.999 1.00 0.00 C ATOM 710 C ALA A 49 -11.930 3.100 4.689 1.00 0.00 C ATOM 711 O ALA A 49 -12.940 2.489 5.039 1.00 0.00 O ATOM 712 CB ALA A 49 -10.719 4.793 6.073 1.00 0.00 C ATOM 0 H ALA A 49 -13.672 4.480 5.873 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.455 5.096 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.773 4.365 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.591 5.860 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.035 4.304 6.994 1.00 0.00 H new ATOM 718 N VAL A 50 -10.928 2.531 4.037 1.00 0.00 N ATOM 719 CA VAL A 50 -10.944 1.120 3.681 1.00 0.00 C ATOM 720 C VAL A 50 -9.753 0.405 4.312 1.00 0.00 C ATOM 721 O VAL A 50 -8.600 0.698 3.988 1.00 0.00 O ATOM 722 CB VAL A 50 -10.905 0.920 2.148 1.00 0.00 C ATOM 723 CG1 VAL A 50 -10.891 -0.557 1.793 1.00 0.00 C ATOM 724 CG2 VAL A 50 -12.084 1.616 1.485 1.00 0.00 C ATOM 0 H VAL A 50 -10.088 3.028 3.742 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.874 0.697 4.060 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.985 1.368 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.864 -0.670 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.010 -1.028 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.789 -1.034 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.038 1.463 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.015 1.201 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.045 2.684 1.702 1.00 0.00 H new ATOM 734 N ASP A 51 -10.033 -0.518 5.217 1.00 0.00 N ATOM 735 CA ASP A 51 -8.985 -1.272 5.887 1.00 0.00 C ATOM 736 C ASP A 51 -8.789 -2.621 5.214 1.00 0.00 C ATOM 737 O ASP A 51 -9.708 -3.438 5.169 1.00 0.00 O ATOM 738 CB ASP A 51 -9.321 -1.514 7.365 1.00 0.00 C ATOM 739 CG ASP A 51 -9.491 -0.243 8.175 1.00 0.00 C ATOM 740 OD1 ASP A 51 -8.469 0.379 8.540 1.00 0.00 O ATOM 741 OD2 ASP A 51 -10.649 0.121 8.482 1.00 0.00 O ATOM 0 H ASP A 51 -10.980 -0.764 5.506 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.073 -0.679 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.239 -2.098 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.530 -2.115 7.813 1.00 0.00 H new ATOM 746 N TYR A 52 -7.604 -2.852 4.676 1.00 0.00 N ATOM 747 CA TYR A 52 -7.244 -4.182 4.216 1.00 0.00 C ATOM 748 C TYR A 52 -6.605 -4.932 5.373 1.00 0.00 C ATOM 749 O TYR A 52 -5.419 -4.770 5.656 1.00 0.00 O ATOM 750 CB TYR A 52 -6.289 -4.130 3.020 1.00 0.00 C ATOM 751 CG TYR A 52 -6.889 -3.514 1.777 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.564 -4.298 0.852 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.781 -2.149 1.530 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.112 -3.743 -0.289 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.326 -1.589 0.390 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.991 -2.389 -0.514 1.00 0.00 C ATOM 757 OH TYR A 52 -8.536 -1.835 -1.649 1.00 0.00 O ATOM 0 H TYR A 52 -6.881 -2.144 4.548 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.144 -4.697 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.402 -3.563 3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.959 -5.143 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.663 -5.359 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.264 -1.519 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.632 -4.367 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.231 -0.529 0.208 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.364 -0.870 -1.657 1.00 0.00 H new ATOM 767 N PHE A 53 -7.410 -5.725 6.050 1.00 0.00 N ATOM 768 CA PHE A 53 -7.003 -6.355 7.294 1.00 0.00 C ATOM 769 C PHE A 53 -7.636 -7.738 7.379 1.00 0.00 C ATOM 770 O PHE A 53 -8.858 -7.865 7.408 1.00 0.00 O ATOM 771 CB PHE A 53 -7.460 -5.468 8.457 1.00 0.00 C ATOM 772 CG PHE A 53 -6.689 -5.642 9.736 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.356 -5.260 9.823 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.306 -6.168 10.857 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.657 -5.403 11.005 1.00 0.00 C ATOM 776 CE2 PHE A 53 -6.611 -6.310 12.041 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.286 -5.928 12.116 1.00 0.00 C ATOM 0 H PHE A 53 -8.360 -5.952 5.757 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.920 -6.469 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.389 -4.425 8.147 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.512 -5.670 8.656 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.861 -4.847 8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.341 -6.470 10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.620 -5.105 11.060 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.104 -6.720 12.910 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.743 -6.040 13.043 1.00 0.00 H new ATOM 787 N CYS A 54 -6.802 -8.770 7.388 1.00 0.00 N ATOM 788 CA CYS A 54 -7.287 -10.143 7.390 1.00 0.00 C ATOM 789 C CYS A 54 -7.988 -10.475 8.703 1.00 0.00 C ATOM 790 O CYS A 54 -7.357 -10.920 9.648 1.00 0.00 O ATOM 791 CB CYS A 54 -6.127 -11.118 7.178 1.00 0.00 C ATOM 792 SG CYS A 54 -5.151 -10.819 5.686 1.00 0.00 S ATOM 0 H CYS A 54 -5.786 -8.682 7.394 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.002 -10.243 6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.466 -11.069 8.044 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.525 -12.132 7.138 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.903 -10.650 6.010 1.00 0.00 H new ATOM 797 N GLN A 55 -9.289 -10.244 8.761 1.00 0.00 N ATOM 798 CA GLN A 55 -10.048 -10.520 9.969 1.00 0.00 C ATOM 799 C GLN A 55 -10.393 -12.003 10.064 1.00 0.00 C ATOM 800 O GLN A 55 -10.363 -12.591 11.147 1.00 0.00 O ATOM 801 CB GLN A 55 -11.323 -9.672 9.999 1.00 0.00 C ATOM 802 CG GLN A 55 -12.088 -9.763 11.310 1.00 0.00 C ATOM 803 CD GLN A 55 -13.317 -8.872 11.334 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.924 -8.604 10.298 1.00 0.00 O ATOM 805 NE2 GLN A 55 -13.686 -8.405 12.517 1.00 0.00 N ATOM 0 H GLN A 55 -9.840 -9.868 7.989 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.432 -10.258 10.829 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.060 -8.631 9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.976 -9.986 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.390 -10.797 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.427 -9.486 12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.154 -8.652 13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.502 -7.798 12.594 1.00 0.00 H new ATOM 814 N ASN A 56 -10.702 -12.615 8.927 1.00 0.00 N ATOM 815 CA ASN A 56 -11.110 -14.018 8.903 1.00 0.00 C ATOM 816 C ASN A 56 -10.235 -14.858 7.971 1.00 0.00 C ATOM 817 O ASN A 56 -10.078 -16.059 8.176 1.00 0.00 O ATOM 818 CB ASN A 56 -12.582 -14.137 8.485 1.00 0.00 C ATOM 819 CG ASN A 56 -12.836 -13.667 7.061 1.00 0.00 C ATOM 820 OD1 ASN A 56 -12.132 -12.800 6.539 1.00 0.00 O ATOM 821 ND2 ASN A 56 -13.853 -14.231 6.430 1.00 0.00 N ATOM 0 H ASN A 56 -10.679 -12.165 8.012 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.984 -14.407 9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.898 -15.176 8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.197 -13.552 9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.079 -13.952 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.411 -14.945 6.898 1.00 0.00 H new ATOM 828 N GLY A 57 -9.650 -14.226 6.959 1.00 0.00 N ATOM 829 CA GLY A 57 -8.888 -14.967 5.964 1.00 0.00 C ATOM 830 C GLY A 57 -7.424 -15.144 6.329 1.00 0.00 C ATOM 831 O GLY A 57 -6.588 -15.329 5.445 1.00 0.00 O ATOM 0 H GLY A 57 -9.688 -13.218 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.341 -15.949 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.956 -14.450 5.007 1.00 0.00 H new ATOM 835 N HIS A 58 -7.124 -15.090 7.624 1.00 0.00 N ATOM 836 CA HIS A 58 -5.756 -15.235 8.134 1.00 0.00 C ATOM 837 C HIS A 58 -5.734 -14.938 9.627 1.00 0.00 C ATOM 838 O HIS A 58 -5.390 -15.796 10.442 1.00 0.00 O ATOM 839 CB HIS A 58 -4.776 -14.297 7.383 1.00 0.00 C ATOM 840 CG HIS A 58 -3.408 -14.152 8.006 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.559 -13.097 7.714 1.00 0.00 N ATOM 842 CD2 HIS A 58 -2.763 -14.899 8.938 1.00 0.00 C ATOM 843 CE1 HIS A 58 -1.462 -13.208 8.457 1.00 0.00 C ATOM 844 NE2 HIS A 58 -1.564 -14.289 9.203 1.00 0.00 N ATOM 0 H HIS A 58 -7.821 -14.944 8.354 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.430 -16.261 7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -4.655 -14.667 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.230 -13.309 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.128 -15.810 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.626 -12.525 8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.865 -14.618 9.869 1.00 0.00 H new ATOM 852 N GLY A 59 -6.113 -13.723 9.970 1.00 0.00 N ATOM 853 CA GLY A 59 -5.985 -13.255 11.329 1.00 0.00 C ATOM 854 C GLY A 59 -5.318 -11.903 11.357 1.00 0.00 C ATOM 855 O GLY A 59 -4.495 -11.610 10.487 1.00 0.00 O ATOM 0 H GLY A 59 -6.512 -13.043 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.969 -13.192 11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.402 -13.968 11.913 1.00 0.00 H new ATOM 859 N LEU A 60 -5.691 -11.074 12.322 1.00 0.00 N ATOM 860 CA LEU A 60 -5.179 -9.709 12.406 1.00 0.00 C ATOM 861 C LEU A 60 -3.654 -9.701 12.411 1.00 0.00 C ATOM 862 O LEU A 60 -3.010 -10.506 13.092 1.00 0.00 O ATOM 863 CB LEU A 60 -5.712 -8.994 13.657 1.00 0.00 C ATOM 864 CG LEU A 60 -5.228 -9.530 15.011 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.468 -8.497 16.100 1.00 0.00 C ATOM 866 CD2 LEU A 60 -5.936 -10.828 15.369 1.00 0.00 C ATOM 0 H LEU A 60 -6.349 -11.322 13.061 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.530 -9.171 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.439 -7.941 13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.801 -9.043 13.640 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.159 -9.730 14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.121 -8.889 17.056 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.922 -7.584 15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.534 -8.277 16.164 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.574 -11.186 16.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.010 -10.653 15.427 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.732 -11.577 14.604 1.00 0.00 H new ATOM 878 N ILE A 61 -3.090 -8.793 11.637 1.00 0.00 N ATOM 879 CA ILE A 61 -1.650 -8.696 11.480 1.00 0.00 C ATOM 880 C ILE A 61 -1.128 -7.530 12.310 1.00 0.00 C ATOM 881 O ILE A 61 -1.882 -6.609 12.630 1.00 0.00 O ATOM 882 CB ILE A 61 -1.251 -8.480 9.993 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.022 -9.427 9.064 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.248 -8.671 9.793 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.376 -8.898 8.629 1.00 0.00 C ATOM 0 H ILE A 61 -3.615 -8.103 11.100 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.210 -9.634 11.820 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.512 -7.453 9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.418 -9.622 8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.162 -10.382 9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.498 -8.514 8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.791 -7.953 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.528 -9.683 10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.858 -9.625 7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.000 -8.730 9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.244 -7.958 8.092 1.00 0.00 H new ATOM 897 N SER A 62 0.143 -7.584 12.683 1.00 0.00 N ATOM 898 CA SER A 62 0.790 -6.455 13.330 1.00 0.00 C ATOM 899 C SER A 62 0.733 -5.262 12.383 1.00 0.00 C ATOM 900 O SER A 62 1.095 -5.381 11.213 1.00 0.00 O ATOM 901 CB SER A 62 2.241 -6.806 13.672 1.00 0.00 C ATOM 902 OG SER A 62 2.824 -5.835 14.524 1.00 0.00 O ATOM 0 H SER A 62 0.744 -8.397 12.548 1.00 0.00 H new ATOM 0 HA SER A 62 0.277 -6.209 14.260 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.276 -7.783 14.155 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.824 -6.883 12.754 1.00 0.00 H new ATOM 0 HG SER A 62 3.749 -6.089 14.725 1.00 0.00 H new ATOM 908 N LYS A 63 0.272 -4.119 12.873 1.00 0.00 N ATOM 909 CA LYS A 63 0.011 -2.977 12.003 1.00 0.00 C ATOM 910 C LYS A 63 1.297 -2.381 11.431 1.00 0.00 C ATOM 911 O LYS A 63 1.260 -1.658 10.439 1.00 0.00 O ATOM 912 CB LYS A 63 -0.807 -1.912 12.732 1.00 0.00 C ATOM 913 CG LYS A 63 -2.254 -2.328 12.947 1.00 0.00 C ATOM 914 CD LYS A 63 -3.112 -1.171 13.427 1.00 0.00 C ATOM 915 CE LYS A 63 -4.589 -1.529 13.385 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.454 -0.380 13.748 1.00 0.00 N ATOM 0 H LYS A 63 0.072 -3.957 13.860 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.574 -3.344 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.346 -1.703 13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.781 -0.985 12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.661 -2.719 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.294 -3.137 13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.829 -0.902 14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.929 -0.296 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.849 -1.876 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.780 -2.356 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.452 -0.670 13.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.225 -0.064 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.292 0.401 13.081 1.00 0.00 H new ATOM 930 N LYS A 64 2.436 -2.699 12.038 1.00 0.00 N ATOM 931 CA LYS A 64 3.719 -2.267 11.489 1.00 0.00 C ATOM 932 C LYS A 64 4.212 -3.253 10.439 1.00 0.00 C ATOM 933 O LYS A 64 5.256 -3.052 9.823 1.00 0.00 O ATOM 934 CB LYS A 64 4.782 -2.112 12.578 1.00 0.00 C ATOM 935 CG LYS A 64 4.518 -0.968 13.541 1.00 0.00 C ATOM 936 CD LYS A 64 5.801 -0.505 14.217 1.00 0.00 C ATOM 937 CE LYS A 64 6.459 -1.619 15.014 1.00 0.00 C ATOM 938 NZ LYS A 64 7.751 -1.185 15.609 1.00 0.00 N ATOM 0 H LYS A 64 2.499 -3.246 12.897 1.00 0.00 H new ATOM 0 HA LYS A 64 3.556 -1.293 11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.846 -3.042 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.752 -1.959 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.067 -0.134 13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.800 -1.285 14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.497 -0.140 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.580 0.332 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.786 -1.945 15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.628 -2.479 14.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.169 -1.973 16.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.403 -0.897 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.586 -0.381 16.248 1.00 0.00 H new ATOM 952 N ARG A 65 3.460 -4.326 10.243 1.00 0.00 N ATOM 953 CA ARG A 65 3.815 -5.328 9.256 1.00 0.00 C ATOM 954 C ARG A 65 2.844 -5.321 8.087 1.00 0.00 C ATOM 955 O ARG A 65 2.891 -6.207 7.233 1.00 0.00 O ATOM 956 CB ARG A 65 3.874 -6.724 9.877 1.00 0.00 C ATOM 957 CG ARG A 65 5.211 -7.048 10.522 1.00 0.00 C ATOM 958 CD ARG A 65 6.369 -6.758 9.575 1.00 0.00 C ATOM 959 NE ARG A 65 6.077 -7.172 8.198 1.00 0.00 N ATOM 960 CZ ARG A 65 7.009 -7.479 7.297 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.292 -7.493 7.629 1.00 0.00 N ATOM 962 NH2 ARG A 65 6.648 -7.762 6.052 1.00 0.00 N ATOM 0 H ARG A 65 2.601 -4.523 10.756 1.00 0.00 H new ATOM 0 HA ARG A 65 4.807 -5.073 8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.088 -6.812 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.663 -7.465 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.329 -6.462 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.231 -8.098 10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.591 -5.691 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.262 -7.275 9.926 1.00 0.00 H new ATOM 0 HE ARG A 65 5.099 -7.228 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.574 -7.267 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.997 -7.730 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.662 -7.744 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.356 -7.998 5.357 1.00 0.00 H new ATOM 976 N VAL A 66 1.968 -4.329 8.049 1.00 0.00 N ATOM 977 CA VAL A 66 1.086 -4.158 6.909 1.00 0.00 C ATOM 978 C VAL A 66 1.856 -3.472 5.795 1.00 0.00 C ATOM 979 O VAL A 66 2.115 -2.270 5.855 1.00 0.00 O ATOM 980 CB VAL A 66 -0.165 -3.321 7.244 1.00 0.00 C ATOM 981 CG1 VAL A 66 -1.139 -3.332 6.076 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.842 -3.829 8.505 1.00 0.00 C ATOM 0 H VAL A 66 1.850 -3.636 8.788 1.00 0.00 H new ATOM 0 HA VAL A 66 0.743 -5.147 6.606 1.00 0.00 H new ATOM 0 HB VAL A 66 0.154 -2.294 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.017 -2.737 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.655 -2.910 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.444 -4.357 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.721 -3.220 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.145 -4.866 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.147 -3.766 9.342 1.00 0.00 H new ATOM 992 N ASN A 67 2.248 -4.242 4.798 1.00 0.00 N ATOM 993 CA ASN A 67 3.053 -3.715 3.714 1.00 0.00 C ATOM 994 C ASN A 67 2.219 -2.860 2.779 1.00 0.00 C ATOM 995 O ASN A 67 1.566 -3.366 1.870 1.00 0.00 O ATOM 996 CB ASN A 67 3.738 -4.837 2.932 1.00 0.00 C ATOM 997 CG ASN A 67 4.937 -5.406 3.664 1.00 0.00 C ATOM 998 OD1 ASN A 67 4.830 -6.398 4.386 1.00 0.00 O ATOM 999 ND2 ASN A 67 6.084 -4.764 3.493 1.00 0.00 N ATOM 0 H ASN A 67 2.022 -5.233 4.717 1.00 0.00 H new ATOM 0 HA ASN A 67 3.825 -3.088 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.020 -5.635 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.056 -4.457 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.926 -5.088 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.125 -3.946 2.885 1.00 0.00 H new ATOM 1006 N PHE A 68 2.219 -1.563 3.033 1.00 0.00 N ATOM 1007 CA PHE A 68 1.554 -0.619 2.158 1.00 0.00 C ATOM 1008 C PHE A 68 2.367 -0.476 0.877 1.00 0.00 C ATOM 1009 O PHE A 68 3.460 0.092 0.886 1.00 0.00 O ATOM 1010 CB PHE A 68 1.401 0.741 2.847 1.00 0.00 C ATOM 1011 CG PHE A 68 0.881 0.664 4.260 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -0.396 0.191 4.529 1.00 0.00 C ATOM 1013 CD2 PHE A 68 1.671 1.078 5.321 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.870 0.135 5.826 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.202 1.022 6.619 1.00 0.00 C ATOM 1016 CZ PHE A 68 -0.070 0.550 6.872 1.00 0.00 C ATOM 0 H PHE A 68 2.675 -1.140 3.842 1.00 0.00 H new ATOM 0 HA PHE A 68 0.556 -0.988 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.369 1.242 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.726 1.361 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.026 -0.137 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.667 1.449 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.866 -0.233 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.830 1.347 7.435 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.439 0.505 7.886 1.00 0.00 H new ATOM 1026 N VAL A 69 1.853 -1.027 -0.209 1.00 0.00 N ATOM 1027 CA VAL A 69 2.568 -1.027 -1.477 1.00 0.00 C ATOM 1028 C VAL A 69 2.023 0.042 -2.415 1.00 0.00 C ATOM 1029 O VAL A 69 0.979 0.636 -2.152 1.00 0.00 O ATOM 1030 CB VAL A 69 2.496 -2.405 -2.170 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.181 -3.467 -1.323 1.00 0.00 C ATOM 1032 CG2 VAL A 69 1.051 -2.795 -2.452 1.00 0.00 C ATOM 0 H VAL A 69 0.941 -1.482 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 69 3.611 -0.805 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 69 3.021 -2.333 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.120 -4.431 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.228 -3.199 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.687 -3.534 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.026 -3.769 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.498 -2.845 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.594 -2.050 -3.104 1.00 0.00 H new ATOM 1042 N ILE A 70 2.737 0.281 -3.506 1.00 0.00 N ATOM 1043 CA ILE A 70 2.333 1.277 -4.484 1.00 0.00 C ATOM 1044 C ILE A 70 1.685 0.609 -5.690 1.00 0.00 C ATOM 1045 O ILE A 70 2.348 -0.107 -6.444 1.00 0.00 O ATOM 1046 CB ILE A 70 3.536 2.123 -4.956 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.196 2.821 -3.761 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.096 3.142 -6.000 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.447 3.598 -4.115 1.00 0.00 C ATOM 0 H ILE A 70 3.604 -0.205 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 70 1.612 1.935 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 70 4.269 1.460 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.475 3.501 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.446 2.073 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.957 3.729 -6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.670 2.623 -6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.346 3.804 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.854 4.062 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.188 2.921 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.201 4.371 -4.843 1.00 0.00 H new ATOM 1061 N SER A 71 0.394 0.833 -5.858 1.00 0.00 N ATOM 1062 CA SER A 71 -0.340 0.279 -6.984 1.00 0.00 C ATOM 1063 C SER A 71 -0.834 1.398 -7.893 1.00 0.00 C ATOM 1064 O SER A 71 -1.795 2.098 -7.567 1.00 0.00 O ATOM 1065 CB SER A 71 -1.516 -0.561 -6.484 1.00 0.00 C ATOM 1066 OG SER A 71 -1.073 -1.612 -5.641 1.00 0.00 O ATOM 0 H SER A 71 -0.172 1.398 -5.225 1.00 0.00 H new ATOM 0 HA SER A 71 0.328 -0.364 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.215 0.074 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.057 -0.976 -7.334 1.00 0.00 H new ATOM 0 HG SER A 71 -1.842 -2.009 -5.181 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.162 1.579 -9.020 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.511 2.639 -9.959 1.00 0.00 C ATOM 1074 C ASP A 72 -1.012 2.066 -11.282 1.00 0.00 C ATOM 1075 O ASP A 72 -1.473 2.802 -12.153 1.00 0.00 O ATOM 1076 CB ASP A 72 0.698 3.552 -10.203 1.00 0.00 C ATOM 1077 CG ASP A 72 1.903 2.804 -10.744 1.00 0.00 C ATOM 1078 OD1 ASP A 72 2.594 2.134 -9.948 1.00 0.00 O ATOM 1079 OD2 ASP A 72 2.164 2.885 -11.963 1.00 0.00 O ATOM 0 H ASP A 72 0.630 1.005 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.318 3.225 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.418 4.337 -10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.971 4.043 -9.269 1.00 0.00 H new ATOM 1084 N GLN A 73 -0.936 0.748 -11.422 1.00 0.00 N ATOM 1085 CA GLN A 73 -1.363 0.090 -12.650 1.00 0.00 C ATOM 1086 C GLN A 73 -2.882 -0.042 -12.691 1.00 0.00 C ATOM 1087 O GLN A 73 -3.549 0.674 -13.437 1.00 0.00 O ATOM 1088 CB GLN A 73 -0.719 -1.296 -12.793 1.00 0.00 C ATOM 1089 CG GLN A 73 0.801 -1.275 -12.885 1.00 0.00 C ATOM 1090 CD GLN A 73 1.466 -0.944 -11.564 1.00 0.00 C ATOM 1091 OE1 GLN A 73 0.937 -1.250 -10.493 1.00 0.00 O ATOM 1092 NE2 GLN A 73 2.620 -0.309 -11.630 1.00 0.00 N ATOM 0 H GLN A 73 -0.584 0.116 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.036 0.711 -13.484 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.011 -1.909 -11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.119 -1.779 -13.685 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.153 -2.247 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.105 -0.543 -13.633 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.022 -0.075 -12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.110 -0.052 -10.773 1.00 0.00 H new ATOM 1101 N LEU A 74 -3.417 -0.960 -11.882 1.00 0.00 N ATOM 1102 CA LEU A 74 -4.863 -1.204 -11.807 1.00 0.00 C ATOM 1103 C LEU A 74 -5.448 -1.552 -13.176 1.00 0.00 C ATOM 1104 O LEU A 74 -4.720 -1.901 -14.109 1.00 0.00 O ATOM 1105 CB LEU A 74 -5.598 0.009 -11.212 1.00 0.00 C ATOM 1106 CG LEU A 74 -5.559 0.130 -9.682 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -4.146 0.389 -9.181 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -6.498 1.229 -9.214 1.00 0.00 C ATOM 0 H LEU A 74 -2.865 -1.553 -11.263 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.009 -2.060 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.170 0.915 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.640 -0.031 -11.528 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.892 -0.820 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.154 0.469 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.498 -0.435 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.772 1.318 -9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.459 1.302 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.194 2.179 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.516 0.995 -9.526 1.00 0.00 H new ATOM 1120 N GLU A 75 -6.766 -1.476 -13.286 1.00 0.00 N ATOM 1121 CA GLU A 75 -7.442 -1.790 -14.531 1.00 0.00 C ATOM 1122 C GLU A 75 -7.562 -0.553 -15.412 1.00 0.00 C ATOM 1123 O GLU A 75 -8.547 0.181 -15.341 1.00 0.00 O ATOM 1124 CB GLU A 75 -8.837 -2.377 -14.278 1.00 0.00 C ATOM 1125 CG GLU A 75 -8.842 -3.666 -13.467 1.00 0.00 C ATOM 1126 CD GLU A 75 -8.736 -3.427 -11.976 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -9.770 -3.110 -11.346 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -7.628 -3.570 -11.419 1.00 0.00 O ATOM 0 H GLU A 75 -7.387 -1.199 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.838 -2.537 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.441 -1.633 -13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.318 -2.565 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.759 -4.217 -13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.011 -4.294 -13.789 1.00 0.00 H new ATOM 1135 N HIS A 76 -6.535 -0.299 -16.206 1.00 0.00 N ATOM 1136 CA HIS A 76 -6.600 0.747 -17.218 1.00 0.00 C ATOM 1137 C HIS A 76 -6.859 0.121 -18.579 1.00 0.00 C ATOM 1138 O HIS A 76 -7.630 0.642 -19.383 1.00 0.00 O ATOM 1139 CB HIS A 76 -5.309 1.573 -17.248 1.00 0.00 C ATOM 1140 CG HIS A 76 -5.227 2.606 -16.166 1.00 0.00 C ATOM 1141 ND1 HIS A 76 -4.241 2.621 -15.204 1.00 0.00 N ATOM 1142 CD2 HIS A 76 -6.010 3.681 -15.913 1.00 0.00 C ATOM 1143 CE1 HIS A 76 -4.418 3.658 -14.409 1.00 0.00 C ATOM 1144 NE2 HIS A 76 -5.484 4.317 -14.816 1.00 0.00 N ATOM 0 H HIS A 76 -5.647 -0.800 -16.171 1.00 0.00 H new ATOM 0 HA HIS A 76 -7.418 1.422 -16.967 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.456 0.900 -17.160 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.227 2.067 -18.216 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -3.490 1.936 -15.120 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.885 3.982 -16.470 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.795 3.922 -13.567 1.00 0.00 H new ATOM 1153 N HIS A 77 -6.210 -1.010 -18.812 1.00 0.00 N ATOM 1154 CA HIS A 77 -6.380 -1.782 -20.033 1.00 0.00 C ATOM 1155 C HIS A 77 -5.662 -3.109 -19.841 1.00 0.00 C ATOM 1156 O HIS A 77 -4.884 -3.545 -20.693 1.00 0.00 O ATOM 1157 CB HIS A 77 -5.814 -1.017 -21.241 1.00 0.00 C ATOM 1158 CG HIS A 77 -6.242 -1.572 -22.568 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -5.591 -1.289 -23.748 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -7.270 -2.389 -22.900 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -6.198 -1.906 -24.742 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -7.220 -2.581 -24.256 1.00 0.00 N ATOM 0 H HIS A 77 -5.546 -1.420 -18.155 1.00 0.00 H new ATOM 0 HA HIS A 77 -7.438 -1.954 -20.232 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.126 0.025 -21.177 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.725 -1.028 -21.188 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.996 -2.812 -22.221 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.906 -1.865 -25.781 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.867 -3.152 -24.799 1.00 0.00 H new ATOM 1171 N HIS A 78 -5.960 -3.743 -18.704 1.00 0.00 N ATOM 1172 CA HIS A 78 -5.207 -4.893 -18.208 1.00 0.00 C ATOM 1173 C HIS A 78 -3.815 -4.461 -17.777 1.00 0.00 C ATOM 1174 O HIS A 78 -3.473 -3.280 -17.844 1.00 0.00 O ATOM 1175 CB HIS A 78 -5.129 -6.026 -19.241 1.00 0.00 C ATOM 1176 CG HIS A 78 -6.396 -6.811 -19.357 1.00 0.00 C ATOM 1177 ND1 HIS A 78 -6.475 -8.159 -19.087 1.00 0.00 N ATOM 1178 CD2 HIS A 78 -7.645 -6.425 -19.706 1.00 0.00 C ATOM 1179 CE1 HIS A 78 -7.719 -8.566 -19.263 1.00 0.00 C ATOM 1180 NE2 HIS A 78 -8.448 -7.532 -19.639 1.00 0.00 N ATOM 0 H HIS A 78 -6.735 -3.470 -18.100 1.00 0.00 H new ATOM 0 HA HIS A 78 -5.742 -5.288 -17.344 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.881 -5.604 -20.215 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -4.316 -6.700 -18.970 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.952 -5.428 -19.986 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.079 -9.575 -19.123 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -9.447 -7.554 -19.846 1.00 0.00 H new ATOM 1189 N HIS A 79 -3.028 -5.408 -17.302 1.00 0.00 N ATOM 1190 CA HIS A 79 -1.676 -5.119 -16.861 1.00 0.00 C ATOM 1191 C HIS A 79 -0.702 -5.440 -17.982 1.00 0.00 C ATOM 1192 O HIS A 79 -0.255 -6.578 -18.122 1.00 0.00 O ATOM 1193 CB HIS A 79 -1.330 -5.922 -15.600 1.00 0.00 C ATOM 1194 CG HIS A 79 -2.223 -5.626 -14.430 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -1.758 -5.134 -13.230 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -3.563 -5.769 -14.277 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -2.771 -4.985 -12.396 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -3.875 -5.364 -13.006 1.00 0.00 N ATOM 0 H HIS A 79 -3.302 -6.386 -17.211 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.602 -4.060 -16.612 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.389 -6.986 -15.830 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.298 -5.713 -15.319 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.256 -6.135 -15.020 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.705 -4.615 -11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.810 -5.357 -12.598 1.00 0.00 H new ATOM 1207 N HIS A 80 -0.401 -4.438 -18.794 1.00 0.00 N ATOM 1208 CA HIS A 80 0.402 -4.640 -19.989 1.00 0.00 C ATOM 1209 C HIS A 80 1.886 -4.582 -19.664 1.00 0.00 C ATOM 1210 O HIS A 80 2.374 -3.601 -19.101 1.00 0.00 O ATOM 1211 CB HIS A 80 0.053 -3.589 -21.050 1.00 0.00 C ATOM 1212 CG HIS A 80 0.704 -3.829 -22.382 1.00 0.00 C ATOM 1213 ND1 HIS A 80 0.070 -4.466 -23.425 1.00 0.00 N ATOM 1214 CD2 HIS A 80 1.939 -3.506 -22.838 1.00 0.00 C ATOM 1215 CE1 HIS A 80 0.886 -4.530 -24.461 1.00 0.00 C ATOM 1216 NE2 HIS A 80 2.026 -3.954 -24.133 1.00 0.00 N ATOM 0 H HIS A 80 -0.702 -3.475 -18.646 1.00 0.00 H new ATOM 0 HA HIS A 80 0.177 -5.631 -20.384 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.029 -3.567 -21.184 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.349 -2.606 -20.684 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.711 -2.992 -22.285 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.658 -4.979 -25.417 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.839 -3.857 -24.741 1.00 0.00 H new ATOM 1225 N HIS A 81 2.596 -5.638 -20.021 1.00 0.00 N ATOM 1226 CA HIS A 81 4.037 -5.685 -19.845 1.00 0.00 C ATOM 1227 C HIS A 81 4.713 -5.285 -21.150 1.00 0.00 C ATOM 1228 O HIS A 81 4.696 -6.097 -22.099 1.00 0.00 O ATOM 1229 CB HIS A 81 4.487 -7.087 -19.426 1.00 0.00 C ATOM 1230 CG HIS A 81 5.894 -7.135 -18.909 1.00 0.00 C ATOM 1231 ND1 HIS A 81 7.001 -7.269 -19.723 1.00 0.00 N ATOM 1232 CD2 HIS A 81 6.370 -7.063 -17.644 1.00 0.00 C ATOM 1233 CE1 HIS A 81 8.091 -7.273 -18.980 1.00 0.00 C ATOM 1234 NE2 HIS A 81 7.737 -7.150 -17.717 1.00 0.00 N ATOM 1235 OXT HIS A 81 5.234 -4.159 -21.230 1.00 0.00 O ATOM 0 H HIS A 81 2.195 -6.479 -20.437 1.00 0.00 H new ATOM 0 HA HIS A 81 4.322 -4.989 -19.056 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.813 -7.461 -18.656 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.399 -7.758 -20.280 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.782 -6.957 -16.744 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.103 -7.362 -19.346 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.376 -7.124 -16.922 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 10.410 12.163 -5.918 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -1.610 -12.591 5.549 1.00 0.00 ZN