USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 66:sc= 0.438 USER MOD Single : A 13 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.6!) USER MOD Single : A 16 SER OG : rot 42:sc= 1.14 USER MOD Single : A 21 THR OG1 : rot -26:sc= 0.633 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.0278 (180deg=-0.24) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 39:sc= 0.0302 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 33 ASN : amide:sc= -3.13! C(o=-3.1!,f=-8.5!) USER MOD Single : A 37 ASN : amide:sc= -5.61! C(o=-5.6!,f=-9!) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0.959 (180deg=0.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -12:sc= 0.532 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 44:sc= 0.489 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.751 -20.031 12.853 1.00 0.00 N ATOM 2 CA GLY A 1 -1.359 -19.969 11.457 1.00 0.00 C ATOM 3 C GLY A 1 -0.977 -18.568 11.023 1.00 0.00 C ATOM 4 O GLY A 1 -1.844 -17.742 10.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.002 -21.009 13.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.960 -19.716 13.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.572 -19.412 13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.517 -20.640 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.180 -20.327 10.836 1.00 0.00 H new ATOM 8 N SER A 2 0.323 -18.298 10.977 1.00 0.00 N ATOM 9 CA SER A 2 0.818 -16.984 10.581 1.00 0.00 C ATOM 10 C SER A 2 0.753 -16.814 9.067 1.00 0.00 C ATOM 11 O SER A 2 1.621 -17.297 8.339 1.00 0.00 O ATOM 12 CB SER A 2 2.255 -16.789 11.067 1.00 0.00 C ATOM 13 OG SER A 2 2.309 -16.709 12.481 1.00 0.00 O ATOM 0 H SER A 2 1.053 -18.971 11.209 1.00 0.00 H new ATOM 0 HA SER A 2 0.181 -16.229 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.874 -17.617 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.669 -15.879 10.632 1.00 0.00 H new ATOM 0 HG SER A 2 3.238 -16.586 12.766 1.00 0.00 H new ATOM 19 N SER A 3 -0.281 -16.123 8.599 1.00 0.00 N ATOM 20 CA SER A 3 -0.462 -15.891 7.170 1.00 0.00 C ATOM 21 C SER A 3 0.676 -15.045 6.609 1.00 0.00 C ATOM 22 O SER A 3 0.922 -13.931 7.068 1.00 0.00 O ATOM 23 CB SER A 3 -1.802 -15.200 6.910 1.00 0.00 C ATOM 24 OG SER A 3 -2.003 -14.981 5.525 1.00 0.00 O ATOM 0 H SER A 3 -1.006 -15.714 9.188 1.00 0.00 H new ATOM 0 HA SER A 3 -0.456 -16.858 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.613 -15.811 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.833 -14.248 7.440 1.00 0.00 H new ATOM 0 HG SER A 3 -2.867 -14.540 5.386 1.00 0.00 H new ATOM 30 N GLY A 4 1.369 -15.585 5.610 1.00 0.00 N ATOM 31 CA GLY A 4 2.474 -14.867 5.001 1.00 0.00 C ATOM 32 C GLY A 4 3.633 -14.668 5.957 1.00 0.00 C ATOM 33 O GLY A 4 4.163 -15.632 6.510 1.00 0.00 O ATOM 0 H GLY A 4 1.185 -16.506 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.820 -15.415 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.124 -13.896 4.652 1.00 0.00 H new ATOM 37 N SER A 5 4.029 -13.414 6.151 1.00 0.00 N ATOM 38 CA SER A 5 5.137 -13.092 7.043 1.00 0.00 C ATOM 39 C SER A 5 6.448 -13.664 6.510 1.00 0.00 C ATOM 40 O SER A 5 7.213 -14.283 7.248 1.00 0.00 O ATOM 41 CB SER A 5 4.864 -13.636 8.447 1.00 0.00 C ATOM 42 OG SER A 5 3.636 -13.144 8.954 1.00 0.00 O ATOM 0 H SER A 5 3.599 -12.605 5.703 1.00 0.00 H new ATOM 0 HA SER A 5 5.227 -12.007 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.840 -14.725 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.677 -13.352 9.115 1.00 0.00 H new ATOM 0 HG SER A 5 3.484 -13.507 9.851 1.00 0.00 H new ATOM 48 N SER A 6 6.698 -13.451 5.222 1.00 0.00 N ATOM 49 CA SER A 6 7.913 -13.948 4.587 1.00 0.00 C ATOM 50 C SER A 6 8.857 -12.798 4.247 1.00 0.00 C ATOM 51 O SER A 6 9.959 -12.705 4.786 1.00 0.00 O ATOM 52 CB SER A 6 7.568 -14.731 3.320 1.00 0.00 C ATOM 53 OG SER A 6 6.943 -15.963 3.636 1.00 0.00 O ATOM 0 H SER A 6 6.076 -12.938 4.598 1.00 0.00 H new ATOM 0 HA SER A 6 8.415 -14.612 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.907 -14.136 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.475 -14.917 2.745 1.00 0.00 H new ATOM 0 HG SER A 6 6.731 -16.444 2.809 1.00 0.00 H new ATOM 59 N GLY A 7 8.415 -11.924 3.348 1.00 0.00 N ATOM 60 CA GLY A 7 9.232 -10.792 2.950 1.00 0.00 C ATOM 61 C GLY A 7 8.421 -9.696 2.287 1.00 0.00 C ATOM 62 O GLY A 7 7.252 -9.492 2.619 1.00 0.00 O ATOM 0 H GLY A 7 7.506 -11.979 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.737 -10.386 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.008 -11.131 2.264 1.00 0.00 H new ATOM 66 N CYS A 8 9.041 -8.988 1.350 1.00 0.00 N ATOM 67 CA CYS A 8 8.370 -7.906 0.640 1.00 0.00 C ATOM 68 C CYS A 8 7.325 -8.454 -0.327 1.00 0.00 C ATOM 69 O CYS A 8 7.653 -8.890 -1.430 1.00 0.00 O ATOM 70 CB CYS A 8 9.391 -7.058 -0.122 1.00 0.00 C ATOM 71 SG CYS A 8 8.659 -5.976 -1.392 1.00 0.00 S ATOM 0 H CYS A 8 10.008 -9.144 1.064 1.00 0.00 H new ATOM 0 HA CYS A 8 7.865 -7.281 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.941 -6.443 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.115 -7.720 -0.597 1.00 0.00 H new ATOM 76 N ALA A 9 6.065 -8.429 0.095 1.00 0.00 N ATOM 77 CA ALA A 9 4.972 -8.921 -0.734 1.00 0.00 C ATOM 78 C ALA A 9 5.022 -8.309 -2.129 1.00 0.00 C ATOM 79 O ALA A 9 4.474 -8.863 -3.081 1.00 0.00 O ATOM 80 CB ALA A 9 3.634 -8.625 -0.073 1.00 0.00 C ATOM 0 H ALA A 9 5.776 -8.073 1.006 1.00 0.00 H new ATOM 0 HA ALA A 9 5.084 -10.000 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.827 -8.998 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.592 -9.116 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.524 -7.549 0.059 1.00 0.00 H new ATOM 86 N GLY A 10 5.683 -7.161 -2.244 1.00 0.00 N ATOM 87 CA GLY A 10 5.791 -6.492 -3.527 1.00 0.00 C ATOM 88 C GLY A 10 6.528 -7.327 -4.555 1.00 0.00 C ATOM 89 O GLY A 10 5.908 -7.974 -5.400 1.00 0.00 O ATOM 0 H GLY A 10 6.146 -6.682 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.792 -6.262 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.309 -5.542 -3.396 1.00 0.00 H new ATOM 93 N CYS A 11 7.855 -7.312 -4.487 1.00 0.00 N ATOM 94 CA CYS A 11 8.678 -8.071 -5.420 1.00 0.00 C ATOM 95 C CYS A 11 8.820 -9.521 -4.966 1.00 0.00 C ATOM 96 O CYS A 11 9.751 -10.221 -5.364 1.00 0.00 O ATOM 97 CB CYS A 11 10.061 -7.429 -5.552 1.00 0.00 C ATOM 98 SG CYS A 11 10.954 -7.257 -3.974 1.00 0.00 S ATOM 0 H CYS A 11 8.384 -6.782 -3.794 1.00 0.00 H new ATOM 0 HA CYS A 11 8.185 -8.060 -6.392 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.664 -8.027 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.951 -6.443 -6.004 1.00 0.00 H new ATOM 103 N THR A 12 7.888 -9.967 -4.128 1.00 0.00 N ATOM 104 CA THR A 12 7.908 -11.332 -3.618 1.00 0.00 C ATOM 105 C THR A 12 9.338 -11.820 -3.412 1.00 0.00 C ATOM 106 O THR A 12 9.728 -12.864 -3.933 1.00 0.00 O ATOM 107 CB THR A 12 7.180 -12.298 -4.572 1.00 0.00 C ATOM 108 OG1 THR A 12 7.873 -12.366 -5.823 1.00 0.00 O ATOM 109 CG2 THR A 12 5.745 -11.851 -4.804 1.00 0.00 C ATOM 0 H THR A 12 7.110 -9.402 -3.789 1.00 0.00 H new ATOM 0 HA THR A 12 7.389 -11.320 -2.659 1.00 0.00 H new ATOM 0 HB THR A 12 7.165 -13.286 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.750 -12.783 -5.689 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.252 -12.549 -5.481 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.212 -11.830 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.741 -10.854 -5.245 1.00 0.00 H new ATOM 117 N ASN A 13 10.114 -11.059 -2.647 1.00 0.00 N ATOM 118 CA ASN A 13 11.501 -11.415 -2.371 1.00 0.00 C ATOM 119 C ASN A 13 11.837 -11.194 -0.900 1.00 0.00 C ATOM 120 O ASN A 13 11.181 -10.425 -0.196 1.00 0.00 O ATOM 121 CB ASN A 13 12.445 -10.592 -3.251 1.00 0.00 C ATOM 122 CG ASN A 13 12.597 -11.178 -4.641 1.00 0.00 C ATOM 123 OD1 ASN A 13 12.251 -10.541 -5.637 1.00 0.00 O ATOM 124 ND2 ASN A 13 13.116 -12.398 -4.716 1.00 0.00 N ATOM 0 H ASN A 13 9.806 -10.192 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 13 11.631 -12.473 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.068 -9.572 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.424 -10.535 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.242 -12.844 -5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.389 -12.889 -3.865 1.00 0.00 H new ATOM 131 N PRO A 14 12.883 -11.883 -0.422 1.00 0.00 N ATOM 132 CA PRO A 14 13.332 -11.778 0.970 1.00 0.00 C ATOM 133 C PRO A 14 13.959 -10.423 1.276 1.00 0.00 C ATOM 134 O PRO A 14 14.935 -10.023 0.641 1.00 0.00 O ATOM 135 CB PRO A 14 14.376 -12.891 1.091 1.00 0.00 C ATOM 136 CG PRO A 14 14.878 -13.092 -0.297 1.00 0.00 C ATOM 137 CD PRO A 14 13.710 -12.818 -1.204 1.00 0.00 C ATOM 0 HA PRO A 14 12.505 -11.873 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.183 -12.605 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.936 -13.805 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.707 -12.418 -0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.249 -14.108 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.029 -12.378 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.166 -13.731 -1.445 1.00 0.00 H new ATOM 145 N ILE A 15 13.394 -9.721 2.253 1.00 0.00 N ATOM 146 CA ILE A 15 13.900 -8.411 2.643 1.00 0.00 C ATOM 147 C ILE A 15 15.171 -8.539 3.476 1.00 0.00 C ATOM 148 O ILE A 15 16.249 -8.121 3.052 1.00 0.00 O ATOM 149 CB ILE A 15 12.852 -7.619 3.446 1.00 0.00 C ATOM 150 CG1 ILE A 15 11.597 -7.390 2.601 1.00 0.00 C ATOM 151 CG2 ILE A 15 13.433 -6.292 3.912 1.00 0.00 C ATOM 152 CD1 ILE A 15 10.508 -6.633 3.328 1.00 0.00 C ATOM 0 H ILE A 15 12.586 -10.038 2.789 1.00 0.00 H new ATOM 0 HA ILE A 15 14.124 -7.872 1.722 1.00 0.00 H new ATOM 0 HB ILE A 15 12.574 -8.200 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.871 -6.841 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.205 -8.355 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.680 -5.744 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.300 -6.477 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.736 -5.703 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.649 -6.508 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.206 -7.191 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.882 -5.654 3.626 1.00 0.00 H new ATOM 164 N SER A 16 15.038 -9.121 4.664 1.00 0.00 N ATOM 165 CA SER A 16 16.175 -9.303 5.558 1.00 0.00 C ATOM 166 C SER A 16 15.816 -10.234 6.712 1.00 0.00 C ATOM 167 O SER A 16 14.675 -10.676 6.835 1.00 0.00 O ATOM 168 CB SER A 16 16.643 -7.953 6.104 1.00 0.00 C ATOM 169 OG SER A 16 17.626 -7.375 5.263 1.00 0.00 O ATOM 0 H SER A 16 14.154 -9.474 5.029 1.00 0.00 H new ATOM 0 HA SER A 16 16.985 -9.757 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.792 -7.278 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.050 -8.084 7.107 1.00 0.00 H new ATOM 0 HG SER A 16 17.372 -7.505 4.325 1.00 0.00 H new ATOM 175 N GLY A 17 16.801 -10.529 7.555 1.00 0.00 N ATOM 176 CA GLY A 17 16.570 -11.406 8.688 1.00 0.00 C ATOM 177 C GLY A 17 17.001 -10.783 10.001 1.00 0.00 C ATOM 178 O GLY A 17 16.372 -11.001 11.037 1.00 0.00 O ATOM 0 H GLY A 17 17.755 -10.176 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.511 -11.657 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.112 -12.340 8.537 1.00 0.00 H new ATOM 182 N LEU A 18 18.079 -10.007 9.960 1.00 0.00 N ATOM 183 CA LEU A 18 18.596 -9.351 11.156 1.00 0.00 C ATOM 184 C LEU A 18 17.671 -8.223 11.602 1.00 0.00 C ATOM 185 O LEU A 18 16.978 -8.337 12.612 1.00 0.00 O ATOM 186 CB LEU A 18 19.999 -8.802 10.895 1.00 0.00 C ATOM 187 CG LEU A 18 21.161 -9.726 11.261 1.00 0.00 C ATOM 188 CD1 LEU A 18 21.092 -10.113 12.730 1.00 0.00 C ATOM 189 CD2 LEU A 18 21.153 -10.967 10.380 1.00 0.00 C ATOM 0 H LEU A 18 18.612 -9.817 9.111 1.00 0.00 H new ATOM 0 HA LEU A 18 18.645 -10.092 11.954 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.079 -8.553 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.112 -7.871 11.451 1.00 0.00 H new ATOM 0 HG LEU A 18 22.095 -9.190 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.927 -10.771 12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.147 -9.215 13.346 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.153 -10.631 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.987 -11.613 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.216 -11.506 10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.251 -10.672 9.335 1.00 0.00 H new ATOM 201 N GLY A 19 17.664 -7.134 10.839 1.00 0.00 N ATOM 202 CA GLY A 19 16.819 -6.002 11.170 1.00 0.00 C ATOM 203 C GLY A 19 17.401 -4.685 10.696 1.00 0.00 C ATOM 204 O GLY A 19 18.287 -4.662 9.843 1.00 0.00 O ATOM 0 H GLY A 19 18.229 -7.016 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.836 -6.143 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 19 16.674 -5.964 12.250 1.00 0.00 H new ATOM 208 N GLY A 20 16.902 -3.585 11.251 1.00 0.00 N ATOM 209 CA GLY A 20 17.389 -2.273 10.865 1.00 0.00 C ATOM 210 C GLY A 20 17.565 -2.137 9.366 1.00 0.00 C ATOM 211 O GLY A 20 18.611 -2.491 8.821 1.00 0.00 O ATOM 0 H GLY A 20 16.169 -3.579 11.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.692 -1.512 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.342 -2.083 11.358 1.00 0.00 H new ATOM 215 N THR A 21 16.538 -1.624 8.695 1.00 0.00 N ATOM 216 CA THR A 21 16.582 -1.445 7.250 1.00 0.00 C ATOM 217 C THR A 21 15.502 -0.477 6.782 1.00 0.00 C ATOM 218 O THR A 21 14.466 -0.327 7.429 1.00 0.00 O ATOM 219 CB THR A 21 16.408 -2.786 6.512 1.00 0.00 C ATOM 220 OG1 THR A 21 17.310 -3.761 7.047 1.00 0.00 O ATOM 221 CG2 THR A 21 16.659 -2.620 5.021 1.00 0.00 C ATOM 0 H THR A 21 15.665 -1.325 9.130 1.00 0.00 H new ATOM 0 HA THR A 21 17.563 -1.033 7.013 1.00 0.00 H new ATOM 0 HB THR A 21 15.382 -3.124 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 21 18.086 -3.309 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.530 -3.580 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.951 -1.900 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.676 -2.261 4.861 1.00 0.00 H new ATOM 229 N LYS A 22 15.750 0.178 5.653 1.00 0.00 N ATOM 230 CA LYS A 22 14.797 1.132 5.096 1.00 0.00 C ATOM 231 C LYS A 22 13.729 0.417 4.274 1.00 0.00 C ATOM 232 O LYS A 22 13.698 0.529 3.049 1.00 0.00 O ATOM 233 CB LYS A 22 15.523 2.160 4.226 1.00 0.00 C ATOM 234 CG LYS A 22 16.637 2.894 4.952 1.00 0.00 C ATOM 235 CD LYS A 22 16.893 4.262 4.342 1.00 0.00 C ATOM 236 CE LYS A 22 17.616 5.180 5.316 1.00 0.00 C ATOM 237 NZ LYS A 22 16.737 5.596 6.443 1.00 0.00 N ATOM 0 H LYS A 22 16.603 0.066 5.105 1.00 0.00 H new ATOM 0 HA LYS A 22 14.309 1.646 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.940 1.656 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.800 2.888 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.374 3.007 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.551 2.301 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.487 4.152 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.945 4.714 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.495 4.671 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.970 6.064 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.131 6.446 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.785 5.806 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.680 4.827 7.141 1.00 0.00 H new ATOM 251 N TYR A 23 12.856 -0.315 4.957 1.00 0.00 N ATOM 252 CA TYR A 23 11.787 -1.048 4.289 1.00 0.00 C ATOM 253 C TYR A 23 10.444 -0.788 4.964 1.00 0.00 C ATOM 254 O TYR A 23 10.376 -0.133 6.004 1.00 0.00 O ATOM 255 CB TYR A 23 12.090 -2.548 4.292 1.00 0.00 C ATOM 256 CG TYR A 23 11.851 -3.211 5.630 1.00 0.00 C ATOM 257 CD1 TYR A 23 12.647 -2.911 6.728 1.00 0.00 C ATOM 258 CD2 TYR A 23 10.829 -4.137 5.796 1.00 0.00 C ATOM 259 CE1 TYR A 23 12.434 -3.515 7.952 1.00 0.00 C ATOM 260 CE2 TYR A 23 10.607 -4.745 7.016 1.00 0.00 C ATOM 261 CZ TYR A 23 11.412 -4.431 8.091 1.00 0.00 C ATOM 262 OH TYR A 23 11.195 -5.034 9.309 1.00 0.00 O ATOM 0 H TYR A 23 12.867 -0.417 5.972 1.00 0.00 H new ATOM 0 HA TYR A 23 11.729 -0.697 3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.472 -3.036 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.129 -2.701 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.447 -2.193 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.197 -4.386 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.064 -3.272 8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.807 -5.462 7.128 1.00 0.00 H new ATOM 0 HH TYR A 23 10.437 -5.652 9.238 1.00 0.00 H new ATOM 272 N ILE A 24 9.378 -1.306 4.364 1.00 0.00 N ATOM 273 CA ILE A 24 8.036 -1.132 4.907 1.00 0.00 C ATOM 274 C ILE A 24 7.562 -2.396 5.617 1.00 0.00 C ATOM 275 O ILE A 24 7.545 -3.479 5.032 1.00 0.00 O ATOM 276 CB ILE A 24 7.025 -0.766 3.804 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.475 0.498 3.069 1.00 0.00 C ATOM 278 CG2 ILE A 24 5.638 -0.575 4.399 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.249 1.769 3.859 1.00 0.00 C ATOM 0 H ILE A 24 9.417 -1.850 3.502 1.00 0.00 H new ATOM 0 HA ILE A 24 8.090 -0.313 5.625 1.00 0.00 H new ATOM 0 HB ILE A 24 6.981 -1.585 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.535 0.412 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.940 0.568 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.935 -0.317 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.318 -1.499 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.666 0.228 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.591 2.625 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.186 1.879 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.807 1.720 4.794 1.00 0.00 H new ATOM 291 N SER A 25 7.176 -2.249 6.880 1.00 0.00 N ATOM 292 CA SER A 25 6.703 -3.379 7.671 1.00 0.00 C ATOM 293 C SER A 25 5.277 -3.142 8.158 1.00 0.00 C ATOM 294 O SER A 25 4.978 -2.112 8.764 1.00 0.00 O ATOM 295 CB SER A 25 7.629 -3.616 8.866 1.00 0.00 C ATOM 296 OG SER A 25 7.904 -2.404 9.547 1.00 0.00 O ATOM 0 H SER A 25 7.181 -1.359 7.378 1.00 0.00 H new ATOM 0 HA SER A 25 6.709 -4.264 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.167 -4.326 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.562 -4.064 8.524 1.00 0.00 H new ATOM 0 HG SER A 25 7.093 -1.854 9.577 1.00 0.00 H new ATOM 302 N PHE A 26 4.399 -4.103 7.889 1.00 0.00 N ATOM 303 CA PHE A 26 3.003 -3.999 8.298 1.00 0.00 C ATOM 304 C PHE A 26 2.653 -5.080 9.317 1.00 0.00 C ATOM 305 O PHE A 26 3.479 -5.934 9.638 1.00 0.00 O ATOM 306 CB PHE A 26 2.083 -4.113 7.081 1.00 0.00 C ATOM 307 CG PHE A 26 0.684 -3.632 7.340 1.00 0.00 C ATOM 308 CD1 PHE A 26 0.453 -2.346 7.800 1.00 0.00 C ATOM 309 CD2 PHE A 26 -0.401 -4.467 7.124 1.00 0.00 C ATOM 310 CE1 PHE A 26 -0.833 -1.900 8.039 1.00 0.00 C ATOM 311 CE2 PHE A 26 -1.689 -4.027 7.361 1.00 0.00 C ATOM 312 CZ PHE A 26 -1.906 -2.743 7.820 1.00 0.00 C ATOM 0 H PHE A 26 4.629 -4.962 7.390 1.00 0.00 H new ATOM 0 HA PHE A 26 2.859 -3.024 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.509 -3.539 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.047 -5.154 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.288 -1.684 7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.238 -5.473 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.999 -0.894 8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.526 -4.687 7.187 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.912 -2.398 8.007 1.00 0.00 H new ATOM 322 N GLU A 27 1.424 -5.035 9.820 1.00 0.00 N ATOM 323 CA GLU A 27 0.966 -6.010 10.804 1.00 0.00 C ATOM 324 C GLU A 27 1.585 -7.380 10.541 1.00 0.00 C ATOM 325 O GLU A 27 2.257 -7.943 11.405 1.00 0.00 O ATOM 326 CB GLU A 27 -0.561 -6.115 10.777 1.00 0.00 C ATOM 327 CG GLU A 27 -1.265 -4.866 11.281 1.00 0.00 C ATOM 328 CD GLU A 27 -1.090 -4.660 12.773 1.00 0.00 C ATOM 329 OE1 GLU A 27 -1.838 -5.289 13.550 1.00 0.00 O ATOM 330 OE2 GLU A 27 -0.206 -3.869 13.163 1.00 0.00 O ATOM 0 H GLU A 27 0.728 -4.335 9.563 1.00 0.00 H new ATOM 0 HA GLU A 27 1.283 -5.670 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.885 -6.318 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.869 -6.966 11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.878 -3.996 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.328 -4.934 11.050 1.00 0.00 H new ATOM 337 N GLU A 28 1.353 -7.908 9.344 1.00 0.00 N ATOM 338 CA GLU A 28 1.887 -9.212 8.969 1.00 0.00 C ATOM 339 C GLU A 28 2.635 -9.133 7.641 1.00 0.00 C ATOM 340 O GLU A 28 3.703 -9.724 7.481 1.00 0.00 O ATOM 341 CB GLU A 28 0.759 -10.241 8.870 1.00 0.00 C ATOM 342 CG GLU A 28 0.044 -10.489 10.188 1.00 0.00 C ATOM 343 CD GLU A 28 -0.641 -11.841 10.235 1.00 0.00 C ATOM 344 OE1 GLU A 28 -1.100 -12.310 9.173 1.00 0.00 O ATOM 345 OE2 GLU A 28 -0.717 -12.430 11.334 1.00 0.00 O ATOM 0 H GLU A 28 0.799 -7.454 8.618 1.00 0.00 H new ATOM 0 HA GLU A 28 2.588 -9.524 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.033 -9.902 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.169 -11.183 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.762 -10.421 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.696 -9.705 10.349 1.00 0.00 H new ATOM 352 N ARG A 29 2.065 -8.398 6.691 1.00 0.00 N ATOM 353 CA ARG A 29 2.675 -8.242 5.376 1.00 0.00 C ATOM 354 C ARG A 29 3.897 -7.330 5.449 1.00 0.00 C ATOM 355 O ARG A 29 4.220 -6.795 6.508 1.00 0.00 O ATOM 356 CB ARG A 29 1.660 -7.675 4.383 1.00 0.00 C ATOM 357 CG ARG A 29 0.591 -8.672 3.968 1.00 0.00 C ATOM 358 CD ARG A 29 0.171 -8.470 2.520 1.00 0.00 C ATOM 359 NE ARG A 29 0.954 -9.294 1.603 1.00 0.00 N ATOM 360 CZ ARG A 29 0.723 -10.585 1.396 1.00 0.00 C ATOM 361 NH1 ARG A 29 -0.263 -11.197 2.038 1.00 0.00 N ATOM 362 NH2 ARG A 29 1.479 -11.268 0.546 1.00 0.00 N ATOM 0 H ARG A 29 1.182 -7.901 6.808 1.00 0.00 H new ATOM 0 HA ARG A 29 2.997 -9.225 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.179 -6.803 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.188 -7.330 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.967 -9.686 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.278 -8.567 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.886 -8.712 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.286 -7.420 2.252 1.00 0.00 H new ATOM 0 HE ARG A 29 1.720 -8.854 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.846 -10.676 2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.438 -12.189 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.239 -10.801 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.300 -12.260 0.388 1.00 0.00 H new ATOM 376 N GLN A 30 4.569 -7.160 4.315 1.00 0.00 N ATOM 377 CA GLN A 30 5.755 -6.314 4.252 1.00 0.00 C ATOM 378 C GLN A 30 6.036 -5.876 2.818 1.00 0.00 C ATOM 379 O GLN A 30 5.518 -6.463 1.867 1.00 0.00 O ATOM 380 CB GLN A 30 6.968 -7.055 4.818 1.00 0.00 C ATOM 381 CG GLN A 30 6.634 -7.955 5.996 1.00 0.00 C ATOM 382 CD GLN A 30 7.817 -8.791 6.445 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.119 -9.828 5.854 1.00 0.00 O ATOM 384 NE2 GLN A 30 8.494 -8.342 7.496 1.00 0.00 N ATOM 0 H GLN A 30 4.313 -7.596 3.429 1.00 0.00 H new ATOM 0 HA GLN A 30 5.568 -5.425 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.418 -7.656 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.716 -6.326 5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.289 -7.343 6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.811 -8.615 5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.208 -7.477 7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.300 -8.862 7.844 1.00 0.00 H new ATOM 393 N TRP A 31 6.857 -4.844 2.669 1.00 0.00 N ATOM 394 CA TRP A 31 7.206 -4.328 1.350 1.00 0.00 C ATOM 395 C TRP A 31 8.517 -3.551 1.399 1.00 0.00 C ATOM 396 O TRP A 31 9.174 -3.488 2.438 1.00 0.00 O ATOM 397 CB TRP A 31 6.087 -3.431 0.818 1.00 0.00 C ATOM 398 CG TRP A 31 4.811 -4.171 0.548 1.00 0.00 C ATOM 399 CD1 TRP A 31 4.457 -4.797 -0.613 1.00 0.00 C ATOM 400 CD2 TRP A 31 3.721 -4.359 1.456 1.00 0.00 C ATOM 401 NE1 TRP A 31 3.212 -5.363 -0.481 1.00 0.00 N ATOM 402 CE2 TRP A 31 2.740 -5.110 0.779 1.00 0.00 C ATOM 403 CE3 TRP A 31 3.478 -3.969 2.776 1.00 0.00 C ATOM 404 CZ2 TRP A 31 1.537 -5.475 1.378 1.00 0.00 C ATOM 405 CZ3 TRP A 31 2.284 -4.332 3.369 1.00 0.00 C ATOM 406 CH2 TRP A 31 1.326 -5.079 2.671 1.00 0.00 C ATOM 0 H TRP A 31 7.294 -4.347 3.445 1.00 0.00 H new ATOM 0 HA TRP A 31 7.333 -5.176 0.677 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.893 -2.637 1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.422 -2.951 -0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.066 -4.841 -1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.719 -5.887 -1.204 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.211 -3.394 3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.797 -6.050 0.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.086 -4.035 4.388 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.403 -5.348 3.163 1.00 0.00 H new ATOM 417 N HIS A 32 8.892 -2.960 0.269 1.00 0.00 N ATOM 418 CA HIS A 32 10.125 -2.186 0.183 1.00 0.00 C ATOM 419 C HIS A 32 9.823 -0.700 0.014 1.00 0.00 C ATOM 420 O HIS A 32 8.850 -0.325 -0.640 1.00 0.00 O ATOM 421 CB HIS A 32 10.983 -2.680 -0.981 1.00 0.00 C ATOM 422 CG HIS A 32 11.781 -3.906 -0.660 1.00 0.00 C ATOM 423 ND1 HIS A 32 11.989 -4.927 -1.562 1.00 0.00 N ATOM 424 CD2 HIS A 32 12.426 -4.270 0.473 1.00 0.00 C ATOM 425 CE1 HIS A 32 12.725 -5.868 -0.998 1.00 0.00 C ATOM 426 NE2 HIS A 32 13.005 -5.493 0.237 1.00 0.00 N ATOM 0 H HIS A 32 8.359 -3.002 -0.600 1.00 0.00 H new ATOM 0 HA HIS A 32 10.676 -2.323 1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.337 -2.890 -1.834 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.663 -1.883 -1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.476 -3.704 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.043 -6.787 -1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.561 -6.025 0.907 1.00 0.00 H new ATOM 434 N ASN A 33 10.663 0.141 0.607 1.00 0.00 N ATOM 435 CA ASN A 33 10.485 1.587 0.522 1.00 0.00 C ATOM 436 C ASN A 33 10.058 2.000 -0.882 1.00 0.00 C ATOM 437 O ASN A 33 9.319 2.970 -1.057 1.00 0.00 O ATOM 438 CB ASN A 33 11.781 2.304 0.906 1.00 0.00 C ATOM 439 CG ASN A 33 11.832 2.656 2.380 1.00 0.00 C ATOM 440 OD1 ASN A 33 11.669 1.792 3.242 1.00 0.00 O ATOM 441 ND2 ASN A 33 12.060 3.930 2.677 1.00 0.00 N ATOM 0 H ASN A 33 11.474 -0.153 1.152 1.00 0.00 H new ATOM 0 HA ASN A 33 9.699 1.874 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.632 1.669 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.879 3.214 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.106 4.226 3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.189 4.613 1.930 1.00 0.00 H new ATOM 448 N ASP A 34 10.527 1.259 -1.880 1.00 0.00 N ATOM 449 CA ASP A 34 10.192 1.547 -3.270 1.00 0.00 C ATOM 450 C ASP A 34 8.985 0.730 -3.719 1.00 0.00 C ATOM 451 O ASP A 34 7.995 1.280 -4.203 1.00 0.00 O ATOM 452 CB ASP A 34 11.388 1.254 -4.176 1.00 0.00 C ATOM 453 CG ASP A 34 11.331 2.026 -5.479 1.00 0.00 C ATOM 454 OD1 ASP A 34 11.710 3.216 -5.481 1.00 0.00 O ATOM 455 OD2 ASP A 34 10.907 1.440 -6.497 1.00 0.00 O ATOM 0 H ASP A 34 11.140 0.454 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 34 9.940 2.605 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.309 1.504 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.424 0.186 -4.391 1.00 0.00 H new ATOM 460 N CYS A 35 9.074 -0.586 -3.556 1.00 0.00 N ATOM 461 CA CYS A 35 7.991 -1.480 -3.946 1.00 0.00 C ATOM 462 C CYS A 35 6.658 -1.000 -3.378 1.00 0.00 C ATOM 463 O CYS A 35 5.679 -0.846 -4.109 1.00 0.00 O ATOM 464 CB CYS A 35 8.279 -2.904 -3.465 1.00 0.00 C ATOM 465 SG CYS A 35 9.747 -3.664 -4.230 1.00 0.00 S ATOM 0 H CYS A 35 9.886 -1.057 -3.156 1.00 0.00 H new ATOM 0 HA CYS A 35 7.925 -1.477 -5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.412 -2.891 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.410 -3.529 -3.672 1.00 0.00 H new ATOM 470 N PHE A 36 6.628 -0.764 -2.071 1.00 0.00 N ATOM 471 CA PHE A 36 5.416 -0.302 -1.404 1.00 0.00 C ATOM 472 C PHE A 36 4.712 0.765 -2.236 1.00 0.00 C ATOM 473 O PHE A 36 5.146 1.915 -2.286 1.00 0.00 O ATOM 474 CB PHE A 36 5.751 0.254 -0.019 1.00 0.00 C ATOM 475 CG PHE A 36 4.584 0.253 0.926 1.00 0.00 C ATOM 476 CD1 PHE A 36 3.877 -0.913 1.174 1.00 0.00 C ATOM 477 CD2 PHE A 36 4.193 1.417 1.567 1.00 0.00 C ATOM 478 CE1 PHE A 36 2.802 -0.917 2.042 1.00 0.00 C ATOM 479 CE2 PHE A 36 3.118 1.420 2.437 1.00 0.00 C ATOM 480 CZ PHE A 36 2.423 0.250 2.675 1.00 0.00 C ATOM 0 H PHE A 36 7.430 -0.885 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 36 4.745 -1.153 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.559 -0.335 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.121 1.274 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.170 -1.829 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.734 2.334 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.259 -1.832 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.823 2.335 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.584 0.248 3.355 1.00 0.00 H new ATOM 490 N ASN A 37 3.622 0.374 -2.889 1.00 0.00 N ATOM 491 CA ASN A 37 2.856 1.297 -3.720 1.00 0.00 C ATOM 492 C ASN A 37 1.417 0.818 -3.881 1.00 0.00 C ATOM 493 O ASN A 37 1.136 -0.378 -3.800 1.00 0.00 O ATOM 494 CB ASN A 37 3.513 1.442 -5.094 1.00 0.00 C ATOM 495 CG ASN A 37 4.935 1.962 -5.003 1.00 0.00 C ATOM 496 OD1 ASN A 37 5.184 3.025 -4.435 1.00 0.00 O ATOM 497 ND2 ASN A 37 5.876 1.211 -5.565 1.00 0.00 N ATOM 0 H ASN A 37 3.249 -0.575 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 37 2.844 2.268 -3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.514 0.475 -5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.920 2.120 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.851 1.509 -5.536 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.623 0.337 -6.025 1.00 0.00 H new ATOM 504 N CYS A 38 0.508 1.760 -4.108 1.00 0.00 N ATOM 505 CA CYS A 38 -0.903 1.436 -4.281 1.00 0.00 C ATOM 506 C CYS A 38 -1.080 0.276 -5.256 1.00 0.00 C ATOM 507 O CYS A 38 -0.161 -0.072 -5.998 1.00 0.00 O ATOM 508 CB CYS A 38 -1.672 2.660 -4.782 1.00 0.00 C ATOM 509 SG CYS A 38 -3.482 2.501 -4.664 1.00 0.00 S ATOM 0 H CYS A 38 0.723 2.755 -4.176 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.302 1.137 -3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.357 3.533 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.401 2.845 -5.821 1.00 0.00 H new ATOM 514 N LYS A 39 -2.268 -0.319 -5.251 1.00 0.00 N ATOM 515 CA LYS A 39 -2.568 -1.438 -6.135 1.00 0.00 C ATOM 516 C LYS A 39 -3.484 -1.002 -7.274 1.00 0.00 C ATOM 517 O LYS A 39 -3.740 -1.764 -8.206 1.00 0.00 O ATOM 518 CB LYS A 39 -3.223 -2.576 -5.348 1.00 0.00 C ATOM 519 CG LYS A 39 -3.005 -3.947 -5.965 1.00 0.00 C ATOM 520 CD LYS A 39 -1.569 -4.414 -5.793 1.00 0.00 C ATOM 521 CE LYS A 39 -1.290 -4.841 -4.360 1.00 0.00 C ATOM 522 NZ LYS A 39 -1.563 -6.290 -4.151 1.00 0.00 N ATOM 0 H LYS A 39 -3.040 -0.044 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.630 -1.792 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.829 -2.577 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.294 -2.386 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.680 -4.667 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.253 -3.913 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.373 -5.248 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.888 -3.611 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.250 -4.628 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.906 -4.253 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.888 -6.674 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.532 -6.413 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.459 -6.796 -5.053 1.00 0.00 H new ATOM 536 N LYS A 40 -3.973 0.231 -7.194 1.00 0.00 N ATOM 537 CA LYS A 40 -4.858 0.771 -8.219 1.00 0.00 C ATOM 538 C LYS A 40 -4.131 1.800 -9.079 1.00 0.00 C ATOM 539 O LYS A 40 -4.146 1.719 -10.308 1.00 0.00 O ATOM 540 CB LYS A 40 -6.090 1.411 -7.574 1.00 0.00 C ATOM 541 CG LYS A 40 -7.340 1.325 -8.432 1.00 0.00 C ATOM 542 CD LYS A 40 -8.601 1.333 -7.584 1.00 0.00 C ATOM 543 CE LYS A 40 -9.119 2.747 -7.369 1.00 0.00 C ATOM 544 NZ LYS A 40 -9.910 3.230 -8.535 1.00 0.00 N ATOM 0 H LYS A 40 -3.771 0.875 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.176 -0.053 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.282 0.926 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.876 2.459 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.363 2.164 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.309 0.415 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.371 0.732 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.395 0.869 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.739 2.775 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.279 3.419 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.246 4.197 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.311 3.228 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.726 2.603 -8.685 1.00 0.00 H new ATOM 558 N CYS A 41 -3.493 2.765 -8.427 1.00 0.00 N ATOM 559 CA CYS A 41 -2.758 3.809 -9.131 1.00 0.00 C ATOM 560 C CYS A 41 -1.252 3.602 -8.992 1.00 0.00 C ATOM 561 O CYS A 41 -0.459 4.286 -9.639 1.00 0.00 O ATOM 562 CB CYS A 41 -3.146 5.187 -8.592 1.00 0.00 C ATOM 563 SG CYS A 41 -2.625 5.488 -6.873 1.00 0.00 S ATOM 0 H CYS A 41 -3.470 2.846 -7.410 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.019 3.753 -10.188 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.707 5.952 -9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.228 5.299 -8.657 1.00 0.00 H new ATOM 568 N SER A 42 -0.866 2.655 -8.144 1.00 0.00 N ATOM 569 CA SER A 42 0.544 2.360 -7.918 1.00 0.00 C ATOM 570 C SER A 42 1.313 3.627 -7.557 1.00 0.00 C ATOM 571 O SER A 42 2.306 3.969 -8.199 1.00 0.00 O ATOM 572 CB SER A 42 1.158 1.714 -9.161 1.00 0.00 C ATOM 573 OG SER A 42 1.392 2.677 -10.173 1.00 0.00 O ATOM 0 H SER A 42 -1.510 2.079 -7.602 1.00 0.00 H new ATOM 0 HA SER A 42 0.614 1.663 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.096 1.226 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.491 0.939 -9.539 1.00 0.00 H new ATOM 0 HG SER A 42 0.939 3.514 -9.939 1.00 0.00 H new ATOM 579 N LEU A 43 0.846 4.321 -6.525 1.00 0.00 N ATOM 580 CA LEU A 43 1.488 5.551 -6.076 1.00 0.00 C ATOM 581 C LEU A 43 2.307 5.309 -4.812 1.00 0.00 C ATOM 582 O LEU A 43 1.987 4.430 -4.013 1.00 0.00 O ATOM 583 CB LEU A 43 0.438 6.633 -5.818 1.00 0.00 C ATOM 584 CG LEU A 43 0.955 7.938 -5.211 1.00 0.00 C ATOM 585 CD1 LEU A 43 1.787 8.706 -6.225 1.00 0.00 C ATOM 586 CD2 LEU A 43 -0.204 8.791 -4.714 1.00 0.00 C ATOM 0 H LEU A 43 0.025 4.053 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 43 2.162 5.888 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.055 6.865 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.322 6.222 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 43 1.591 7.693 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.146 9.631 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.638 8.098 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.175 8.940 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.182 9.716 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.866 9.026 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.759 8.243 -3.953 1.00 0.00 H new ATOM 598 N SER A 44 3.364 6.096 -4.638 1.00 0.00 N ATOM 599 CA SER A 44 4.230 5.966 -3.472 1.00 0.00 C ATOM 600 C SER A 44 3.416 6.013 -2.183 1.00 0.00 C ATOM 601 O SER A 44 2.883 7.059 -1.809 1.00 0.00 O ATOM 602 CB SER A 44 5.282 7.077 -3.465 1.00 0.00 C ATOM 603 OG SER A 44 6.118 6.980 -2.326 1.00 0.00 O ATOM 0 H SER A 44 3.641 6.830 -5.290 1.00 0.00 H new ATOM 0 HA SER A 44 4.732 5.000 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.886 7.015 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.789 8.049 -3.476 1.00 0.00 H new ATOM 0 HG SER A 44 6.783 7.700 -2.346 1.00 0.00 H new ATOM 609 N LEU A 45 3.323 4.874 -1.507 1.00 0.00 N ATOM 610 CA LEU A 45 2.574 4.783 -0.259 1.00 0.00 C ATOM 611 C LEU A 45 3.503 4.911 0.944 1.00 0.00 C ATOM 612 O LEU A 45 3.065 5.234 2.049 1.00 0.00 O ATOM 613 CB LEU A 45 1.815 3.456 -0.192 1.00 0.00 C ATOM 614 CG LEU A 45 0.585 3.341 -1.094 1.00 0.00 C ATOM 615 CD1 LEU A 45 -0.038 1.959 -0.972 1.00 0.00 C ATOM 616 CD2 LEU A 45 -0.432 4.419 -0.750 1.00 0.00 C ATOM 0 H LEU A 45 3.757 4.000 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 45 1.859 5.605 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.505 2.652 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.502 3.291 0.839 1.00 0.00 H new ATOM 0 HG LEU A 45 0.901 3.485 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.912 1.895 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.690 1.204 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.340 1.786 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.300 4.321 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.744 4.307 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.018 5.402 -0.890 1.00 0.00 H new ATOM 628 N VAL A 46 4.789 4.658 0.722 1.00 0.00 N ATOM 629 CA VAL A 46 5.781 4.749 1.787 1.00 0.00 C ATOM 630 C VAL A 46 5.750 6.121 2.451 1.00 0.00 C ATOM 631 O VAL A 46 6.060 7.133 1.824 1.00 0.00 O ATOM 632 CB VAL A 46 7.201 4.479 1.256 1.00 0.00 C ATOM 633 CG1 VAL A 46 7.435 5.229 -0.047 1.00 0.00 C ATOM 634 CG2 VAL A 46 8.241 4.865 2.296 1.00 0.00 C ATOM 0 H VAL A 46 5.168 4.388 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 46 5.526 3.987 2.523 1.00 0.00 H new ATOM 0 HB VAL A 46 7.299 3.412 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.444 5.026 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.710 4.899 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.319 6.299 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.239 4.667 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.146 5.926 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.085 4.279 3.202 1.00 0.00 H new ATOM 644 N GLY A 47 5.375 6.147 3.727 1.00 0.00 N ATOM 645 CA GLY A 47 5.311 7.400 4.456 1.00 0.00 C ATOM 646 C GLY A 47 3.976 8.099 4.292 1.00 0.00 C ATOM 647 O GLY A 47 3.880 9.315 4.457 1.00 0.00 O ATOM 0 H GLY A 47 5.115 5.323 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.491 7.211 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.107 8.059 4.110 1.00 0.00 H new ATOM 651 N ARG A 48 2.943 7.329 3.965 1.00 0.00 N ATOM 652 CA ARG A 48 1.607 7.882 3.776 1.00 0.00 C ATOM 653 C ARG A 48 0.570 7.077 4.553 1.00 0.00 C ATOM 654 O ARG A 48 0.906 6.115 5.243 1.00 0.00 O ATOM 655 CB ARG A 48 1.245 7.900 2.290 1.00 0.00 C ATOM 656 CG ARG A 48 2.256 8.637 1.426 1.00 0.00 C ATOM 657 CD ARG A 48 1.653 9.047 0.091 1.00 0.00 C ATOM 658 NE ARG A 48 1.033 10.368 0.153 1.00 0.00 N ATOM 659 CZ ARG A 48 0.063 10.764 -0.664 1.00 0.00 C ATOM 660 NH1 ARG A 48 -0.395 9.945 -1.600 1.00 0.00 N ATOM 661 NH2 ARG A 48 -0.450 11.981 -0.545 1.00 0.00 N ATOM 0 H ARG A 48 3.006 6.321 3.825 1.00 0.00 H new ATOM 0 HA ARG A 48 1.607 8.904 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.155 6.874 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.267 8.366 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.611 9.522 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.123 7.999 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.430 9.047 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.908 8.311 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 48 1.363 11.022 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.003 9.008 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.140 10.252 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.100 12.614 0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.195 12.284 -1.173 1.00 0.00 H new ATOM 675 N GLY A 49 -0.692 7.478 4.437 1.00 0.00 N ATOM 676 CA GLY A 49 -1.759 6.784 5.134 1.00 0.00 C ATOM 677 C GLY A 49 -2.383 5.688 4.294 1.00 0.00 C ATOM 678 O GLY A 49 -3.601 5.649 4.118 1.00 0.00 O ATOM 0 H GLY A 49 -0.995 8.272 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.367 6.353 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.529 7.501 5.420 1.00 0.00 H new ATOM 682 N PHE A 50 -1.548 4.796 3.772 1.00 0.00 N ATOM 683 CA PHE A 50 -2.026 3.695 2.943 1.00 0.00 C ATOM 684 C PHE A 50 -3.066 2.864 3.689 1.00 0.00 C ATOM 685 O PHE A 50 -3.005 2.723 4.911 1.00 0.00 O ATOM 686 CB PHE A 50 -0.856 2.805 2.517 1.00 0.00 C ATOM 687 CG PHE A 50 -0.157 2.141 3.668 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.893 2.773 4.315 1.00 0.00 C ATOM 689 CD2 PHE A 50 -0.549 0.886 4.103 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.539 2.164 5.375 1.00 0.00 C ATOM 691 CE2 PHE A 50 0.092 0.273 5.163 1.00 0.00 C ATOM 692 CZ PHE A 50 1.138 0.912 5.799 1.00 0.00 C ATOM 0 H PHE A 50 -0.537 4.814 3.908 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.494 4.119 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.223 2.039 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.135 3.407 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.210 3.752 3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.365 0.380 3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.356 2.667 5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.225 -0.705 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.642 0.434 6.626 1.00 0.00 H new ATOM 702 N LEU A 51 -4.020 2.316 2.945 1.00 0.00 N ATOM 703 CA LEU A 51 -5.075 1.499 3.535 1.00 0.00 C ATOM 704 C LEU A 51 -4.781 0.014 3.349 1.00 0.00 C ATOM 705 O LEU A 51 -3.723 -0.363 2.845 1.00 0.00 O ATOM 706 CB LEU A 51 -6.427 1.845 2.907 1.00 0.00 C ATOM 707 CG LEU A 51 -6.808 3.326 2.910 1.00 0.00 C ATOM 708 CD1 LEU A 51 -6.285 4.015 1.659 1.00 0.00 C ATOM 709 CD2 LEU A 51 -8.317 3.487 3.019 1.00 0.00 C ATOM 0 H LEU A 51 -4.085 2.422 1.933 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.112 1.713 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.427 1.492 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.203 1.290 3.434 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.348 3.798 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.566 5.068 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.199 3.930 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.715 3.542 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.571 4.547 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.797 3.000 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.666 3.030 3.945 1.00 0.00 H new ATOM 721 N THR A 52 -5.726 -0.827 3.759 1.00 0.00 N ATOM 722 CA THR A 52 -5.570 -2.271 3.637 1.00 0.00 C ATOM 723 C THR A 52 -6.825 -2.913 3.057 1.00 0.00 C ATOM 724 O THR A 52 -7.806 -3.130 3.767 1.00 0.00 O ATOM 725 CB THR A 52 -5.258 -2.919 4.999 1.00 0.00 C ATOM 726 OG1 THR A 52 -6.231 -2.515 5.968 1.00 0.00 O ATOM 727 CG2 THR A 52 -3.867 -2.531 5.477 1.00 0.00 C ATOM 0 H THR A 52 -6.608 -0.532 4.179 1.00 0.00 H new ATOM 0 HA THR A 52 -4.732 -2.442 2.961 1.00 0.00 H new ATOM 0 HB THR A 52 -5.294 -4.002 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.126 -2.558 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.669 -3.000 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.126 -2.866 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.807 -1.448 5.582 1.00 0.00 H new ATOM 735 N GLU A 53 -6.786 -3.216 1.763 1.00 0.00 N ATOM 736 CA GLU A 53 -7.921 -3.833 1.089 1.00 0.00 C ATOM 737 C GLU A 53 -8.014 -5.318 1.429 1.00 0.00 C ATOM 738 O GLU A 53 -7.076 -5.901 1.972 1.00 0.00 O ATOM 739 CB GLU A 53 -7.804 -3.653 -0.426 1.00 0.00 C ATOM 740 CG GLU A 53 -9.141 -3.468 -1.123 1.00 0.00 C ATOM 741 CD GLU A 53 -9.107 -3.901 -2.576 1.00 0.00 C ATOM 742 OE1 GLU A 53 -8.617 -3.117 -3.416 1.00 0.00 O ATOM 743 OE2 GLU A 53 -9.570 -5.022 -2.873 1.00 0.00 O ATOM 0 H GLU A 53 -5.981 -3.044 1.161 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.828 -3.340 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.174 -2.788 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.301 -4.523 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.904 -4.040 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.434 -2.419 -1.067 1.00 0.00 H new ATOM 750 N ARG A 54 -9.153 -5.923 1.107 1.00 0.00 N ATOM 751 CA ARG A 54 -9.370 -7.338 1.380 1.00 0.00 C ATOM 752 C ARG A 54 -8.059 -8.115 1.298 1.00 0.00 C ATOM 753 O ARG A 54 -7.534 -8.575 2.313 1.00 0.00 O ATOM 754 CB ARG A 54 -10.382 -7.921 0.391 1.00 0.00 C ATOM 755 CG ARG A 54 -11.706 -7.174 0.365 1.00 0.00 C ATOM 756 CD ARG A 54 -12.657 -7.763 -0.665 1.00 0.00 C ATOM 757 NE ARG A 54 -13.809 -6.898 -0.904 1.00 0.00 N ATOM 758 CZ ARG A 54 -14.608 -7.013 -1.959 1.00 0.00 C ATOM 759 NH1 ARG A 54 -14.382 -7.952 -2.867 1.00 0.00 N ATOM 760 NH2 ARG A 54 -15.637 -6.187 -2.107 1.00 0.00 N ATOM 0 H ARG A 54 -9.939 -5.455 0.657 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.765 -7.430 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.948 -7.910 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.568 -8.964 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.167 -7.213 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.528 -6.123 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.123 -7.923 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.001 -8.739 -0.324 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.011 -6.165 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.593 -8.589 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.997 -8.038 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.814 -5.463 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.250 -6.276 -2.917 1.00 0.00 H new ATOM 774 N ASP A 55 -7.537 -8.258 0.085 1.00 0.00 N ATOM 775 CA ASP A 55 -6.287 -8.978 -0.129 1.00 0.00 C ATOM 776 C ASP A 55 -5.293 -8.123 -0.908 1.00 0.00 C ATOM 777 O ASP A 55 -4.431 -8.644 -1.615 1.00 0.00 O ATOM 778 CB ASP A 55 -6.549 -10.286 -0.877 1.00 0.00 C ATOM 779 CG ASP A 55 -7.229 -11.325 -0.007 1.00 0.00 C ATOM 780 OD1 ASP A 55 -8.271 -11.000 0.599 1.00 0.00 O ATOM 781 OD2 ASP A 55 -6.718 -12.462 0.069 1.00 0.00 O ATOM 0 H ASP A 55 -7.960 -7.885 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.856 -9.206 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.171 -10.084 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.604 -10.686 -1.245 1.00 0.00 H new ATOM 786 N ASP A 56 -5.421 -6.807 -0.775 1.00 0.00 N ATOM 787 CA ASP A 56 -4.534 -5.879 -1.466 1.00 0.00 C ATOM 788 C ASP A 56 -4.476 -4.539 -0.739 1.00 0.00 C ATOM 789 O ASP A 56 -5.329 -4.238 0.096 1.00 0.00 O ATOM 790 CB ASP A 56 -5.002 -5.670 -2.907 1.00 0.00 C ATOM 791 CG ASP A 56 -4.926 -6.941 -3.730 1.00 0.00 C ATOM 792 OD1 ASP A 56 -3.864 -7.599 -3.710 1.00 0.00 O ATOM 793 OD2 ASP A 56 -5.928 -7.279 -4.394 1.00 0.00 O ATOM 0 H ASP A 56 -6.131 -6.359 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.533 -6.311 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.029 -5.304 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.391 -4.899 -3.376 1.00 0.00 H new ATOM 798 N ILE A 57 -3.463 -3.741 -1.060 1.00 0.00 N ATOM 799 CA ILE A 57 -3.294 -2.434 -0.437 1.00 0.00 C ATOM 800 C ILE A 57 -3.663 -1.313 -1.402 1.00 0.00 C ATOM 801 O ILE A 57 -3.678 -1.506 -2.619 1.00 0.00 O ATOM 802 CB ILE A 57 -1.847 -2.225 0.047 1.00 0.00 C ATOM 803 CG1 ILE A 57 -0.858 -2.579 -1.065 1.00 0.00 C ATOM 804 CG2 ILE A 57 -1.577 -3.060 1.289 1.00 0.00 C ATOM 805 CD1 ILE A 57 0.561 -2.140 -0.775 1.00 0.00 C ATOM 0 H ILE A 57 -2.747 -3.977 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.964 -2.405 0.422 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.715 -1.174 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.871 -3.658 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.189 -2.118 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.550 -2.901 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.263 -2.764 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.724 -4.115 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.207 -2.424 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.588 -1.058 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.912 -2.622 0.138 1.00 0.00 H new ATOM 817 N LEU A 58 -3.957 -0.140 -0.853 1.00 0.00 N ATOM 818 CA LEU A 58 -4.324 1.015 -1.665 1.00 0.00 C ATOM 819 C LEU A 58 -3.996 2.317 -0.941 1.00 0.00 C ATOM 820 O LEU A 58 -3.625 2.310 0.233 1.00 0.00 O ATOM 821 CB LEU A 58 -5.815 0.970 -2.006 1.00 0.00 C ATOM 822 CG LEU A 58 -6.305 -0.297 -2.708 1.00 0.00 C ATOM 823 CD1 LEU A 58 -7.808 -0.454 -2.537 1.00 0.00 C ATOM 824 CD2 LEU A 58 -5.935 -0.266 -4.184 1.00 0.00 C ATOM 0 H LEU A 58 -3.948 0.037 0.152 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.745 0.978 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.382 1.092 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.048 1.826 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.816 -1.156 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.139 -1.361 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.048 -0.522 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.315 0.408 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.292 -1.175 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.396 0.601 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.852 -0.201 -4.286 1.00 0.00 H new ATOM 836 N CYS A 59 -4.135 3.433 -1.649 1.00 0.00 N ATOM 837 CA CYS A 59 -3.855 4.743 -1.074 1.00 0.00 C ATOM 838 C CYS A 59 -5.149 5.470 -0.720 1.00 0.00 C ATOM 839 O CYS A 59 -6.223 5.169 -1.244 1.00 0.00 O ATOM 840 CB CYS A 59 -3.035 5.587 -2.052 1.00 0.00 C ATOM 841 SG CYS A 59 -3.967 6.149 -3.513 1.00 0.00 S ATOM 0 H CYS A 59 -4.440 3.456 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.280 4.595 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.646 6.458 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.175 5.005 -2.385 1.00 0.00 H new ATOM 846 N PRO A 60 -5.048 6.450 0.190 1.00 0.00 N ATOM 847 CA PRO A 60 -6.199 7.240 0.634 1.00 0.00 C ATOM 848 C PRO A 60 -7.036 7.752 -0.534 1.00 0.00 C ATOM 849 O PRO A 60 -8.266 7.738 -0.482 1.00 0.00 O ATOM 850 CB PRO A 60 -5.558 8.409 1.386 1.00 0.00 C ATOM 851 CG PRO A 60 -4.246 7.884 1.855 1.00 0.00 C ATOM 852 CD PRO A 60 -3.800 6.862 0.855 1.00 0.00 C ATOM 0 HA PRO A 60 -6.888 6.652 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.429 9.274 0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.178 8.729 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.515 8.689 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.341 7.439 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.088 7.282 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.307 6.018 1.338 1.00 0.00 H new ATOM 860 N ASP A 61 -6.361 8.204 -1.586 1.00 0.00 N ATOM 861 CA ASP A 61 -7.043 8.719 -2.767 1.00 0.00 C ATOM 862 C ASP A 61 -7.981 7.670 -3.355 1.00 0.00 C ATOM 863 O ASP A 61 -9.164 7.932 -3.572 1.00 0.00 O ATOM 864 CB ASP A 61 -6.023 9.156 -3.820 1.00 0.00 C ATOM 865 CG ASP A 61 -5.550 10.581 -3.612 1.00 0.00 C ATOM 866 OD1 ASP A 61 -5.175 10.921 -2.470 1.00 0.00 O ATOM 867 OD2 ASP A 61 -5.554 11.356 -4.591 1.00 0.00 O ATOM 0 H ASP A 61 -5.343 8.224 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.637 9.582 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.165 8.484 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.467 9.065 -4.811 1.00 0.00 H new ATOM 872 N CYS A 62 -7.445 6.481 -3.610 1.00 0.00 N ATOM 873 CA CYS A 62 -8.233 5.391 -4.173 1.00 0.00 C ATOM 874 C CYS A 62 -9.185 4.813 -3.131 1.00 0.00 C ATOM 875 O CYS A 62 -10.400 4.802 -3.322 1.00 0.00 O ATOM 876 CB CYS A 62 -7.313 4.291 -4.706 1.00 0.00 C ATOM 877 SG CYS A 62 -6.221 4.827 -6.062 1.00 0.00 S ATOM 0 H CYS A 62 -6.467 6.248 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.824 5.791 -4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.700 3.916 -3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.924 3.458 -5.054 1.00 0.00 H new ATOM 882 N GLY A 63 -8.623 4.332 -2.025 1.00 0.00 N ATOM 883 CA GLY A 63 -9.436 3.759 -0.969 1.00 0.00 C ATOM 884 C GLY A 63 -10.714 4.539 -0.732 1.00 0.00 C ATOM 885 O GLY A 63 -11.810 3.983 -0.796 1.00 0.00 O ATOM 0 H GLY A 63 -7.619 4.329 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.685 2.729 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.857 3.727 -0.046 1.00 0.00 H new ATOM 889 N LYS A 64 -10.574 5.831 -0.456 1.00 0.00 N ATOM 890 CA LYS A 64 -11.725 6.690 -0.208 1.00 0.00 C ATOM 891 C LYS A 64 -12.723 6.608 -1.358 1.00 0.00 C ATOM 892 O LYS A 64 -13.933 6.540 -1.140 1.00 0.00 O ATOM 893 CB LYS A 64 -11.274 8.139 -0.012 1.00 0.00 C ATOM 894 CG LYS A 64 -10.532 8.375 1.292 1.00 0.00 C ATOM 895 CD LYS A 64 -10.299 9.855 1.541 1.00 0.00 C ATOM 896 CE LYS A 64 -9.663 10.098 2.901 1.00 0.00 C ATOM 897 NZ LYS A 64 -9.904 11.485 3.387 1.00 0.00 N ATOM 0 H LYS A 64 -9.673 6.306 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.216 6.343 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.630 8.426 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.147 8.790 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.103 7.952 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.575 7.854 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.656 10.260 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.247 10.389 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.064 9.386 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.590 9.917 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.455 11.610 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.499 12.165 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.927 11.650 3.472 1.00 0.00 H new ATOM 911 N ASP A 65 -12.209 6.612 -2.583 1.00 0.00 N ATOM 912 CA ASP A 65 -13.055 6.536 -3.768 1.00 0.00 C ATOM 913 C ASP A 65 -13.783 5.197 -3.830 1.00 0.00 C ATOM 914 O ASP A 65 -14.924 5.121 -4.287 1.00 0.00 O ATOM 915 CB ASP A 65 -12.217 6.733 -5.033 1.00 0.00 C ATOM 916 CG ASP A 65 -12.777 5.978 -6.222 1.00 0.00 C ATOM 917 OD1 ASP A 65 -12.658 4.735 -6.245 1.00 0.00 O ATOM 918 OD2 ASP A 65 -13.333 6.630 -7.131 1.00 0.00 O ATOM 0 H ASP A 65 -11.210 6.667 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.798 7.331 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.168 7.796 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.196 6.402 -4.844 1.00 0.00 H new ATOM 923 N ILE A 66 -13.116 4.144 -3.369 1.00 0.00 N ATOM 924 CA ILE A 66 -13.701 2.809 -3.372 1.00 0.00 C ATOM 925 C ILE A 66 -15.201 2.865 -3.104 1.00 0.00 C ATOM 926 O ILE A 66 -15.638 3.334 -2.054 1.00 0.00 O ATOM 927 CB ILE A 66 -13.037 1.901 -2.320 1.00 0.00 C ATOM 928 CG1 ILE A 66 -11.540 1.762 -2.606 1.00 0.00 C ATOM 929 CG2 ILE A 66 -13.707 0.536 -2.299 1.00 0.00 C ATOM 930 CD1 ILE A 66 -11.238 1.057 -3.910 1.00 0.00 C ATOM 0 H ILE A 66 -12.171 4.190 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 66 -13.527 2.391 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.159 2.358 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.088 2.754 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.071 1.214 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -13.226 -0.094 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -14.762 0.652 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -13.613 0.070 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.159 0.994 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.660 0.052 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.677 1.616 -4.736 1.00 0.00 H new ATOM 942 N SER A 67 -15.986 2.381 -4.062 1.00 0.00 N ATOM 943 CA SER A 67 -17.438 2.377 -3.931 1.00 0.00 C ATOM 944 C SER A 67 -17.854 2.034 -2.504 1.00 0.00 C ATOM 945 O SER A 67 -18.564 2.799 -1.852 1.00 0.00 O ATOM 946 CB SER A 67 -18.057 1.377 -4.909 1.00 0.00 C ATOM 947 OG SER A 67 -19.452 1.588 -5.040 1.00 0.00 O ATOM 0 H SER A 67 -15.640 1.987 -4.937 1.00 0.00 H new ATOM 0 HA SER A 67 -17.802 3.377 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.578 1.473 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.871 0.361 -4.561 1.00 0.00 H new ATOM 0 HG SER A 67 -19.823 0.937 -5.672 1.00 0.00 H new ATOM 953 N GLY A 68 -17.406 0.877 -2.025 1.00 0.00 N ATOM 954 CA GLY A 68 -17.741 0.452 -0.679 1.00 0.00 C ATOM 955 C GLY A 68 -17.281 -0.962 -0.387 1.00 0.00 C ATOM 956 O GLY A 68 -17.528 -1.890 -1.157 1.00 0.00 O ATOM 0 H GLY A 68 -16.817 0.227 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.285 1.135 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.820 0.516 -0.539 1.00 0.00 H new ATOM 960 N PRO A 69 -16.593 -1.142 0.751 1.00 0.00 N ATOM 961 CA PRO A 69 -16.082 -2.450 1.169 1.00 0.00 C ATOM 962 C PRO A 69 -17.198 -3.405 1.578 1.00 0.00 C ATOM 963 O PRO A 69 -18.269 -2.976 2.006 1.00 0.00 O ATOM 964 CB PRO A 69 -15.195 -2.117 2.372 1.00 0.00 C ATOM 965 CG PRO A 69 -15.748 -0.842 2.907 1.00 0.00 C ATOM 966 CD PRO A 69 -16.263 -0.081 1.717 1.00 0.00 C ATOM 0 HA PRO A 69 -15.555 -2.958 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.229 -2.909 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.152 -2.003 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.547 -1.034 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.980 -0.273 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.138 0.518 1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -15.512 0.603 1.322 1.00 0.00 H new ATOM 974 N SER A 70 -16.940 -4.702 1.444 1.00 0.00 N ATOM 975 CA SER A 70 -17.925 -5.718 1.797 1.00 0.00 C ATOM 976 C SER A 70 -18.152 -5.753 3.305 1.00 0.00 C ATOM 977 O SER A 70 -17.406 -5.144 4.071 1.00 0.00 O ATOM 978 CB SER A 70 -17.468 -7.093 1.307 1.00 0.00 C ATOM 979 OG SER A 70 -17.882 -7.322 -0.029 1.00 0.00 O ATOM 0 H SER A 70 -16.057 -5.074 1.094 1.00 0.00 H new ATOM 0 HA SER A 70 -18.866 -5.461 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 70 -16.382 -7.163 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.877 -7.868 1.956 1.00 0.00 H new ATOM 0 HG SER A 70 -17.576 -8.207 -0.319 1.00 0.00 H new ATOM 985 N SER A 71 -19.190 -6.470 3.724 1.00 0.00 N ATOM 986 CA SER A 71 -19.520 -6.582 5.140 1.00 0.00 C ATOM 987 C SER A 71 -20.435 -7.777 5.392 1.00 0.00 C ATOM 988 O SER A 71 -20.983 -8.362 4.458 1.00 0.00 O ATOM 989 CB SER A 71 -20.192 -5.299 5.632 1.00 0.00 C ATOM 990 OG SER A 71 -21.487 -5.155 5.074 1.00 0.00 O ATOM 0 H SER A 71 -19.817 -6.982 3.103 1.00 0.00 H new ATOM 0 HA SER A 71 -18.593 -6.733 5.693 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.261 -5.315 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.579 -4.438 5.364 1.00 0.00 H new ATOM 0 HG SER A 71 -21.896 -4.328 5.405 1.00 0.00 H new ATOM 996 N GLY A 72 -20.594 -8.135 6.663 1.00 0.00 N ATOM 997 CA GLY A 72 -21.442 -9.259 7.016 1.00 0.00 C ATOM 998 C GLY A 72 -20.922 -10.022 8.218 1.00 0.00 C ATOM 999 O GLY A 72 -20.796 -11.244 8.142 1.00 0.00 O ATOM 0 H GLY A 72 -20.151 -7.667 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -22.449 -8.899 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -21.517 -9.935 6.165 1.00 0.00 H new TER 1003 GLY A 72 HETATM 1004 ZN ZN A 201 10.361 -5.357 -2.728 1.00 0.00 ZN HETATM 1005 ZN ZN A 401 -4.129 4.685 -5.253 1.00 0.00 ZN