USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 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+ -123:sc= 0.0951 (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 40:sc= 1.05 USER MOD Single : A 12 THR OG1 : rot 64:sc= 0.188 USER MOD Single : A 13 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.58) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.3!) USER MOD Single : A 33 ASN : amide:sc= -1.09! K(o=-1.1!,f=-1.8) USER MOD Single : A 37 ASN : amide:sc= -3.96! C(o=-4!,f=-7.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.408 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -55:sc= 0.442 USER MOD Single : A 70 SER OG : rot 38:sc= 0.165 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.840 -24.959 -7.722 1.00 0.00 N ATOM 2 CA GLY A 1 8.219 -23.937 -6.763 1.00 0.00 C ATOM 3 C GLY A 1 8.550 -24.513 -5.401 1.00 0.00 C ATOM 4 O GLY A 1 8.648 -25.730 -5.242 1.00 0.00 O ATOM 0 H1 GLY A 1 8.468 -24.908 -8.550 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.924 -25.897 -7.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.857 -24.805 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.082 -23.390 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.406 -23.219 -6.662 1.00 0.00 H new ATOM 8 N SER A 2 8.724 -23.638 -4.416 1.00 0.00 N ATOM 9 CA SER A 2 9.052 -24.067 -3.062 1.00 0.00 C ATOM 10 C SER A 2 8.204 -23.320 -2.036 1.00 0.00 C ATOM 11 O SER A 2 7.516 -22.355 -2.367 1.00 0.00 O ATOM 12 CB SER A 2 10.537 -23.838 -2.777 1.00 0.00 C ATOM 13 OG SER A 2 10.842 -22.454 -2.740 1.00 0.00 O ATOM 0 H SER A 2 8.643 -22.628 -4.530 1.00 0.00 H new ATOM 0 HA SER A 2 8.835 -25.132 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.803 -24.298 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.137 -24.325 -3.545 1.00 0.00 H new ATOM 0 HG SER A 2 11.797 -22.334 -2.555 1.00 0.00 H new ATOM 19 N SER A 3 8.260 -23.775 -0.788 1.00 0.00 N ATOM 20 CA SER A 3 7.496 -23.154 0.287 1.00 0.00 C ATOM 21 C SER A 3 8.225 -21.932 0.837 1.00 0.00 C ATOM 22 O SER A 3 9.167 -22.057 1.619 1.00 0.00 O ATOM 23 CB SER A 3 7.245 -24.161 1.411 1.00 0.00 C ATOM 24 OG SER A 3 6.108 -24.961 1.136 1.00 0.00 O ATOM 0 H SER A 3 8.827 -24.572 -0.497 1.00 0.00 H new ATOM 0 HA SER A 3 6.539 -22.830 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.121 -24.798 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.101 -23.631 2.353 1.00 0.00 H new ATOM 0 HG SER A 3 5.971 -25.597 1.869 1.00 0.00 H new ATOM 30 N GLY A 4 7.783 -20.749 0.421 1.00 0.00 N ATOM 31 CA GLY A 4 8.404 -19.521 0.881 1.00 0.00 C ATOM 32 C GLY A 4 7.524 -18.307 0.659 1.00 0.00 C ATOM 33 O GLY A 4 7.645 -17.621 -0.355 1.00 0.00 O ATOM 0 H GLY A 4 7.006 -20.619 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.634 -19.610 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.351 -19.379 0.360 1.00 0.00 H new ATOM 37 N SER A 5 6.633 -18.043 1.610 1.00 0.00 N ATOM 38 CA SER A 5 5.724 -16.907 1.511 1.00 0.00 C ATOM 39 C SER A 5 5.927 -15.946 2.678 1.00 0.00 C ATOM 40 O SER A 5 5.207 -16.002 3.675 1.00 0.00 O ATOM 41 CB SER A 5 4.273 -17.389 1.479 1.00 0.00 C ATOM 42 OG SER A 5 3.371 -16.299 1.566 1.00 0.00 O ATOM 0 H SER A 5 6.521 -18.600 2.457 1.00 0.00 H new ATOM 0 HA SER A 5 5.944 -16.377 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.091 -17.943 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.097 -18.078 2.305 1.00 0.00 H new ATOM 0 HG SER A 5 2.450 -16.634 1.542 1.00 0.00 H new ATOM 48 N SER A 6 6.914 -15.064 2.547 1.00 0.00 N ATOM 49 CA SER A 6 7.215 -14.093 3.591 1.00 0.00 C ATOM 50 C SER A 6 8.157 -13.011 3.071 1.00 0.00 C ATOM 51 O SER A 6 9.021 -13.274 2.236 1.00 0.00 O ATOM 52 CB SER A 6 7.840 -14.791 4.801 1.00 0.00 C ATOM 53 OG SER A 6 6.844 -15.207 5.720 1.00 0.00 O ATOM 0 H SER A 6 7.518 -15.003 1.728 1.00 0.00 H new ATOM 0 HA SER A 6 6.281 -13.621 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.417 -15.654 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.536 -14.114 5.296 1.00 0.00 H new ATOM 0 HG SER A 6 6.075 -15.564 5.229 1.00 0.00 H new ATOM 59 N GLY A 7 7.983 -11.792 3.574 1.00 0.00 N ATOM 60 CA GLY A 7 8.824 -10.688 3.149 1.00 0.00 C ATOM 61 C GLY A 7 8.045 -9.616 2.412 1.00 0.00 C ATOM 62 O GLY A 7 6.869 -9.389 2.694 1.00 0.00 O ATOM 0 H GLY A 7 7.275 -11.550 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.307 -10.247 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.616 -11.066 2.503 1.00 0.00 H new ATOM 66 N CYS A 8 8.703 -8.955 1.466 1.00 0.00 N ATOM 67 CA CYS A 8 8.066 -7.899 0.687 1.00 0.00 C ATOM 68 C CYS A 8 7.041 -8.481 -0.282 1.00 0.00 C ATOM 69 O CYS A 8 7.399 -9.042 -1.317 1.00 0.00 O ATOM 70 CB CYS A 8 9.119 -7.102 -0.085 1.00 0.00 C ATOM 71 SG CYS A 8 8.437 -6.076 -1.428 1.00 0.00 S ATOM 0 H CYS A 8 9.677 -9.132 1.220 1.00 0.00 H new ATOM 0 HA CYS A 8 7.549 -7.233 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.656 -6.459 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.848 -7.795 -0.506 1.00 0.00 H new ATOM 76 N ALA A 9 5.765 -8.344 0.063 1.00 0.00 N ATOM 77 CA ALA A 9 4.688 -8.853 -0.777 1.00 0.00 C ATOM 78 C ALA A 9 4.745 -8.244 -2.173 1.00 0.00 C ATOM 79 O ALA A 9 4.093 -8.726 -3.099 1.00 0.00 O ATOM 80 CB ALA A 9 3.338 -8.573 -0.132 1.00 0.00 C ATOM 0 H ALA A 9 5.452 -7.885 0.918 1.00 0.00 H new ATOM 0 HA ALA A 9 4.816 -9.931 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.543 -8.959 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.291 -9.062 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.212 -7.498 -0.004 1.00 0.00 H new ATOM 86 N GLY A 10 5.530 -7.180 -2.318 1.00 0.00 N ATOM 87 CA GLY A 10 5.657 -6.522 -3.606 1.00 0.00 C ATOM 88 C GLY A 10 6.388 -7.375 -4.623 1.00 0.00 C ATOM 89 O GLY A 10 5.768 -7.978 -5.500 1.00 0.00 O ATOM 0 H GLY A 10 6.080 -6.762 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.665 -6.279 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.189 -5.579 -3.478 1.00 0.00 H new ATOM 93 N CYS A 11 7.711 -7.426 -4.509 1.00 0.00 N ATOM 94 CA CYS A 11 8.529 -8.209 -5.426 1.00 0.00 C ATOM 95 C CYS A 11 8.627 -9.661 -4.965 1.00 0.00 C ATOM 96 O CYS A 11 9.602 -10.353 -5.258 1.00 0.00 O ATOM 97 CB CYS A 11 9.930 -7.603 -5.539 1.00 0.00 C ATOM 98 SG CYS A 11 10.773 -7.378 -3.940 1.00 0.00 S ATOM 0 H CYS A 11 8.240 -6.933 -3.789 1.00 0.00 H new ATOM 0 HA CYS A 11 8.051 -8.189 -6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.542 -8.245 -6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.857 -6.637 -6.039 1.00 0.00 H new ATOM 103 N THR A 12 7.609 -10.115 -4.241 1.00 0.00 N ATOM 104 CA THR A 12 7.579 -11.483 -3.738 1.00 0.00 C ATOM 105 C THR A 12 8.968 -11.940 -3.305 1.00 0.00 C ATOM 106 O THR A 12 9.429 -13.011 -3.696 1.00 0.00 O ATOM 107 CB THR A 12 7.038 -12.460 -4.799 1.00 0.00 C ATOM 108 OG1 THR A 12 7.911 -12.486 -5.933 1.00 0.00 O ATOM 109 CG2 THR A 12 5.638 -12.059 -5.239 1.00 0.00 C ATOM 0 H THR A 12 6.794 -9.555 -3.990 1.00 0.00 H new ATOM 0 HA THR A 12 6.912 -11.488 -2.876 1.00 0.00 H new ATOM 0 HB THR A 12 6.992 -13.454 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.786 -12.835 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.276 -12.763 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.969 -12.070 -4.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.664 -11.056 -5.666 1.00 0.00 H new ATOM 117 N ASN A 13 9.629 -11.120 -2.495 1.00 0.00 N ATOM 118 CA ASN A 13 10.966 -11.440 -2.008 1.00 0.00 C ATOM 119 C ASN A 13 11.133 -11.012 -0.553 1.00 0.00 C ATOM 120 O ASN A 13 10.394 -10.173 -0.039 1.00 0.00 O ATOM 121 CB ASN A 13 12.025 -10.758 -2.877 1.00 0.00 C ATOM 122 CG ASN A 13 12.501 -11.644 -4.011 1.00 0.00 C ATOM 123 OD1 ASN A 13 13.681 -11.983 -4.096 1.00 0.00 O ATOM 124 ND2 ASN A 13 11.582 -12.023 -4.892 1.00 0.00 N ATOM 0 H ASN A 13 9.261 -10.229 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 13 11.098 -12.520 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.615 -9.836 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.876 -10.479 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.844 -12.619 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.615 -11.718 -4.783 1.00 0.00 H new ATOM 131 N PRO A 14 12.127 -11.602 0.127 1.00 0.00 N ATOM 132 CA PRO A 14 12.415 -11.297 1.531 1.00 0.00 C ATOM 133 C PRO A 14 12.989 -9.896 1.714 1.00 0.00 C ATOM 134 O PRO A 14 13.493 -9.293 0.766 1.00 0.00 O ATOM 135 CB PRO A 14 13.452 -12.355 1.919 1.00 0.00 C ATOM 136 CG PRO A 14 14.109 -12.729 0.635 1.00 0.00 C ATOM 137 CD PRO A 14 13.047 -12.612 -0.423 1.00 0.00 C ATOM 0 HA PRO A 14 11.515 -11.318 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.174 -11.959 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.980 -13.218 2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.949 -12.069 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.505 -13.744 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.465 -12.296 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.543 -13.564 -0.594 1.00 0.00 H new ATOM 145 N ILE A 15 12.910 -9.385 2.938 1.00 0.00 N ATOM 146 CA ILE A 15 13.424 -8.056 3.244 1.00 0.00 C ATOM 147 C ILE A 15 14.567 -8.126 4.251 1.00 0.00 C ATOM 148 O ILE A 15 14.372 -8.521 5.401 1.00 0.00 O ATOM 149 CB ILE A 15 12.319 -7.140 3.803 1.00 0.00 C ATOM 150 CG1 ILE A 15 11.135 -7.084 2.836 1.00 0.00 C ATOM 151 CG2 ILE A 15 12.867 -5.744 4.060 1.00 0.00 C ATOM 152 CD1 ILE A 15 9.910 -6.413 3.417 1.00 0.00 C ATOM 0 H ILE A 15 12.495 -9.871 3.733 1.00 0.00 H new ATOM 0 HA ILE A 15 13.793 -7.638 2.307 1.00 0.00 H new ATOM 0 HB ILE A 15 11.971 -7.552 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.438 -6.551 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.875 -8.099 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.074 -5.109 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.681 -5.800 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.239 -5.322 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.111 -6.410 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.582 -6.958 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.153 -5.387 3.693 1.00 0.00 H new ATOM 164 N SER A 16 15.760 -7.739 3.811 1.00 0.00 N ATOM 165 CA SER A 16 16.936 -7.761 4.673 1.00 0.00 C ATOM 166 C SER A 16 18.096 -7.008 4.029 1.00 0.00 C ATOM 167 O SER A 16 18.118 -6.798 2.817 1.00 0.00 O ATOM 168 CB SER A 16 17.352 -9.203 4.970 1.00 0.00 C ATOM 169 OG SER A 16 18.235 -9.262 6.076 1.00 0.00 O ATOM 0 H SER A 16 15.938 -7.407 2.863 1.00 0.00 H new ATOM 0 HA SER A 16 16.678 -7.265 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.467 -9.805 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.834 -9.634 4.092 1.00 0.00 H new ATOM 0 HG SER A 16 18.484 -10.194 6.246 1.00 0.00 H new ATOM 175 N GLY A 17 19.060 -6.602 4.850 1.00 0.00 N ATOM 176 CA GLY A 17 20.210 -5.877 4.343 1.00 0.00 C ATOM 177 C GLY A 17 21.086 -5.331 5.453 1.00 0.00 C ATOM 178 O GLY A 17 20.953 -5.727 6.612 1.00 0.00 O ATOM 0 H GLY A 17 19.065 -6.762 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.802 -6.538 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.869 -5.054 3.715 1.00 0.00 H new ATOM 182 N LEU A 18 21.986 -4.419 5.100 1.00 0.00 N ATOM 183 CA LEU A 18 22.889 -3.818 6.075 1.00 0.00 C ATOM 184 C LEU A 18 22.354 -2.473 6.557 1.00 0.00 C ATOM 185 O LEU A 18 22.191 -1.541 5.771 1.00 0.00 O ATOM 186 CB LEU A 18 24.281 -3.638 5.467 1.00 0.00 C ATOM 187 CG LEU A 18 25.337 -3.012 6.379 1.00 0.00 C ATOM 188 CD1 LEU A 18 25.763 -3.997 7.456 1.00 0.00 C ATOM 189 CD2 LEU A 18 26.539 -2.553 5.567 1.00 0.00 C ATOM 0 H LEU A 18 22.109 -4.080 4.146 1.00 0.00 H new ATOM 0 HA LEU A 18 22.957 -4.489 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 18 24.643 -4.614 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 24.188 -3.019 4.574 1.00 0.00 H new ATOM 0 HG LEU A 18 24.899 -2.140 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 26.515 -3.534 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 18 24.897 -4.276 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 26.183 -4.888 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 18 27.280 -2.110 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.978 -3.408 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.221 -1.812 4.834 1.00 0.00 H new ATOM 201 N GLY A 19 22.084 -2.380 7.855 1.00 0.00 N ATOM 202 CA GLY A 19 21.572 -1.145 8.420 1.00 0.00 C ATOM 203 C GLY A 19 20.173 -0.822 7.935 1.00 0.00 C ATOM 204 O GLY A 19 19.689 -1.416 6.972 1.00 0.00 O ATOM 0 H GLY A 19 22.211 -3.138 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 19 21.568 -1.221 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.242 -0.325 8.160 1.00 0.00 H new ATOM 208 N GLY A 20 19.519 0.122 8.606 1.00 0.00 N ATOM 209 CA GLY A 20 18.172 0.505 8.224 1.00 0.00 C ATOM 210 C GLY A 20 17.963 0.471 6.723 1.00 0.00 C ATOM 211 O GLY A 20 18.449 1.342 6.001 1.00 0.00 O ATOM 0 H GLY A 20 19.898 0.628 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 20 17.458 -0.165 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.964 1.509 8.594 1.00 0.00 H new ATOM 215 N THR A 21 17.238 -0.538 6.250 1.00 0.00 N ATOM 216 CA THR A 21 16.968 -0.683 4.825 1.00 0.00 C ATOM 217 C THR A 21 15.850 0.253 4.379 1.00 0.00 C ATOM 218 O THR A 21 15.603 0.417 3.184 1.00 0.00 O ATOM 219 CB THR A 21 16.582 -2.131 4.471 1.00 0.00 C ATOM 220 OG1 THR A 21 17.651 -3.021 4.812 1.00 0.00 O ATOM 221 CG2 THR A 21 16.262 -2.259 2.989 1.00 0.00 C ATOM 0 H THR A 21 16.827 -1.267 6.833 1.00 0.00 H new ATOM 0 HA THR A 21 17.887 -0.422 4.301 1.00 0.00 H new ATOM 0 HB THR A 21 15.693 -2.396 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.397 -3.940 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.992 -3.291 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.429 -1.603 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.136 -1.976 2.402 1.00 0.00 H new ATOM 229 N LYS A 22 15.176 0.865 5.347 1.00 0.00 N ATOM 230 CA LYS A 22 14.084 1.786 5.055 1.00 0.00 C ATOM 231 C LYS A 22 12.942 1.069 4.342 1.00 0.00 C ATOM 232 O LYS A 22 12.313 1.625 3.442 1.00 0.00 O ATOM 233 CB LYS A 22 14.586 2.948 4.195 1.00 0.00 C ATOM 234 CG LYS A 22 15.618 3.819 4.891 1.00 0.00 C ATOM 235 CD LYS A 22 16.462 4.591 3.891 1.00 0.00 C ATOM 236 CE LYS A 22 17.334 5.628 4.582 1.00 0.00 C ATOM 237 NZ LYS A 22 18.523 5.010 5.231 1.00 0.00 N ATOM 0 H LYS A 22 15.367 0.740 6.341 1.00 0.00 H new ATOM 0 HA LYS A 22 13.709 2.177 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.019 2.549 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.737 3.567 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.115 4.517 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.264 3.196 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.092 3.898 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.812 5.084 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.662 6.370 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.745 6.156 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.091 5.750 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.210 4.321 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.099 4.527 4.512 1.00 0.00 H new ATOM 251 N TYR A 23 12.681 -0.168 4.750 1.00 0.00 N ATOM 252 CA TYR A 23 11.615 -0.962 4.150 1.00 0.00 C ATOM 253 C TYR A 23 10.303 -0.774 4.906 1.00 0.00 C ATOM 254 O TYR A 23 10.283 -0.226 6.008 1.00 0.00 O ATOM 255 CB TYR A 23 12.000 -2.442 4.133 1.00 0.00 C ATOM 256 CG TYR A 23 11.921 -3.103 5.491 1.00 0.00 C ATOM 257 CD1 TYR A 23 12.906 -2.890 6.448 1.00 0.00 C ATOM 258 CD2 TYR A 23 10.861 -3.940 5.816 1.00 0.00 C ATOM 259 CE1 TYR A 23 12.837 -3.493 7.689 1.00 0.00 C ATOM 260 CE2 TYR A 23 10.784 -4.546 7.055 1.00 0.00 C ATOM 261 CZ TYR A 23 11.775 -4.320 7.988 1.00 0.00 C ATOM 262 OH TYR A 23 11.702 -4.921 9.223 1.00 0.00 O ATOM 0 H TYR A 23 13.193 -0.643 5.494 1.00 0.00 H new ATOM 0 HA TYR A 23 11.474 -0.619 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.345 -2.972 3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.015 -2.541 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.739 -2.242 6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.084 -4.120 5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.611 -3.318 8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.953 -5.193 7.292 1.00 0.00 H new ATOM 0 HH TYR A 23 10.892 -5.470 9.272 1.00 0.00 H new ATOM 272 N ILE A 24 9.211 -1.234 4.306 1.00 0.00 N ATOM 273 CA ILE A 24 7.895 -1.120 4.922 1.00 0.00 C ATOM 274 C ILE A 24 7.482 -2.430 5.584 1.00 0.00 C ATOM 275 O ILE A 24 7.671 -3.508 5.021 1.00 0.00 O ATOM 276 CB ILE A 24 6.824 -0.718 3.892 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.347 0.402 2.990 1.00 0.00 C ATOM 278 CG2 ILE A 24 5.547 -0.285 4.597 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.347 1.762 3.654 1.00 0.00 C ATOM 0 H ILE A 24 9.211 -1.689 3.393 1.00 0.00 H new ATOM 0 HA ILE A 24 7.968 -0.340 5.680 1.00 0.00 H new ATOM 0 HB ILE A 24 6.597 -1.584 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.362 0.160 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.736 0.447 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.799 -0.004 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.167 -1.109 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.758 0.569 5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.730 2.507 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.330 2.025 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.981 1.734 4.540 1.00 0.00 H new ATOM 291 N SER A 25 6.916 -2.329 6.782 1.00 0.00 N ATOM 292 CA SER A 25 6.477 -3.506 7.522 1.00 0.00 C ATOM 293 C SER A 25 5.043 -3.335 8.015 1.00 0.00 C ATOM 294 O SER A 25 4.674 -2.280 8.531 1.00 0.00 O ATOM 295 CB SER A 25 7.408 -3.766 8.708 1.00 0.00 C ATOM 296 OG SER A 25 6.821 -4.667 9.630 1.00 0.00 O ATOM 0 H SER A 25 6.751 -1.444 7.261 1.00 0.00 H new ATOM 0 HA SER A 25 6.511 -4.362 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.354 -4.173 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.635 -2.825 9.209 1.00 0.00 H new ATOM 0 HG SER A 25 7.437 -4.817 10.377 1.00 0.00 H new ATOM 302 N PHE A 26 4.240 -4.381 7.852 1.00 0.00 N ATOM 303 CA PHE A 26 2.845 -4.347 8.279 1.00 0.00 C ATOM 304 C PHE A 26 2.560 -5.453 9.292 1.00 0.00 C ATOM 305 O PHE A 26 3.395 -6.327 9.523 1.00 0.00 O ATOM 306 CB PHE A 26 1.917 -4.493 7.072 1.00 0.00 C ATOM 307 CG PHE A 26 0.462 -4.344 7.413 1.00 0.00 C ATOM 308 CD1 PHE A 26 -0.056 -3.110 7.772 1.00 0.00 C ATOM 309 CD2 PHE A 26 -0.388 -5.438 7.377 1.00 0.00 C ATOM 310 CE1 PHE A 26 -1.395 -2.969 8.086 1.00 0.00 C ATOM 311 CE2 PHE A 26 -1.727 -5.303 7.690 1.00 0.00 C ATOM 312 CZ PHE A 26 -2.231 -4.068 8.046 1.00 0.00 C ATOM 0 H PHE A 26 4.530 -5.262 7.428 1.00 0.00 H new ATOM 0 HA PHE A 26 2.660 -3.385 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.185 -3.746 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.077 -5.470 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.594 -2.248 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.001 -6.407 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.787 -2.001 8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.379 -6.163 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.277 -3.961 8.293 1.00 0.00 H new ATOM 322 N GLU A 27 1.375 -5.405 9.892 1.00 0.00 N ATOM 323 CA GLU A 27 0.980 -6.402 10.881 1.00 0.00 C ATOM 324 C GLU A 27 1.585 -7.764 10.552 1.00 0.00 C ATOM 325 O GLU A 27 2.175 -8.415 11.413 1.00 0.00 O ATOM 326 CB GLU A 27 -0.545 -6.512 10.946 1.00 0.00 C ATOM 327 CG GLU A 27 -1.225 -5.252 11.456 1.00 0.00 C ATOM 328 CD GLU A 27 -2.707 -5.449 11.704 1.00 0.00 C ATOM 329 OE1 GLU A 27 -3.060 -6.128 12.691 1.00 0.00 O ATOM 330 OE2 GLU A 27 -3.516 -4.923 10.910 1.00 0.00 O ATOM 0 H GLU A 27 0.673 -4.688 9.711 1.00 0.00 H new ATOM 0 HA GLU A 27 1.356 -6.081 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.927 -6.744 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.813 -7.347 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.745 -4.934 12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.085 -4.450 10.732 1.00 0.00 H new ATOM 337 N GLU A 28 1.433 -8.186 9.301 1.00 0.00 N ATOM 338 CA GLU A 28 1.964 -9.471 8.860 1.00 0.00 C ATOM 339 C GLU A 28 2.703 -9.327 7.532 1.00 0.00 C ATOM 340 O GLU A 28 3.758 -9.929 7.329 1.00 0.00 O ATOM 341 CB GLU A 28 0.834 -10.493 8.719 1.00 0.00 C ATOM 342 CG GLU A 28 0.147 -10.826 10.032 1.00 0.00 C ATOM 343 CD GLU A 28 -0.506 -12.195 10.019 1.00 0.00 C ATOM 344 OE1 GLU A 28 0.228 -13.202 9.953 1.00 0.00 O ATOM 345 OE2 GLU A 28 -1.752 -12.257 10.074 1.00 0.00 O ATOM 0 H GLU A 28 0.947 -7.658 8.576 1.00 0.00 H new ATOM 0 HA GLU A 28 2.670 -9.822 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.093 -10.108 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.236 -11.409 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.877 -10.784 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.608 -10.069 10.244 1.00 0.00 H new ATOM 352 N ARG A 29 2.141 -8.527 6.632 1.00 0.00 N ATOM 353 CA ARG A 29 2.745 -8.305 5.324 1.00 0.00 C ATOM 354 C ARG A 29 3.833 -7.239 5.401 1.00 0.00 C ATOM 355 O ARG A 29 3.973 -6.554 6.414 1.00 0.00 O ATOM 356 CB ARG A 29 1.678 -7.887 4.311 1.00 0.00 C ATOM 357 CG ARG A 29 0.763 -9.024 3.885 1.00 0.00 C ATOM 358 CD ARG A 29 0.244 -8.822 2.470 1.00 0.00 C ATOM 359 NE ARG A 29 -0.321 -10.049 1.914 1.00 0.00 N ATOM 360 CZ ARG A 29 -1.015 -10.091 0.782 1.00 0.00 C ATOM 361 NH1 ARG A 29 -1.226 -8.981 0.089 1.00 0.00 N ATOM 362 NH2 ARG A 29 -1.497 -11.246 0.341 1.00 0.00 N ATOM 0 H ARG A 29 1.268 -8.022 6.785 1.00 0.00 H new ATOM 0 HA ARG A 29 3.200 -9.241 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.074 -7.088 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.168 -7.476 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.303 -9.969 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.078 -9.094 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.516 -8.041 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.057 -8.475 1.832 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.175 -10.921 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.855 -8.092 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.759 -9.016 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.335 -12.102 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.030 -11.278 -0.528 1.00 0.00 H new ATOM 376 N GLN A 30 4.602 -7.106 4.325 1.00 0.00 N ATOM 377 CA GLN A 30 5.678 -6.124 4.272 1.00 0.00 C ATOM 378 C GLN A 30 5.983 -5.727 2.832 1.00 0.00 C ATOM 379 O GLN A 30 5.500 -6.355 1.890 1.00 0.00 O ATOM 380 CB GLN A 30 6.938 -6.681 4.938 1.00 0.00 C ATOM 381 CG GLN A 30 6.677 -7.332 6.286 1.00 0.00 C ATOM 382 CD GLN A 30 7.932 -7.911 6.908 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.863 -8.304 6.205 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.965 -7.966 8.235 1.00 0.00 N ATOM 0 H GLN A 30 4.500 -7.666 3.479 1.00 0.00 H new ATOM 0 HA GLN A 30 5.352 -5.236 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.397 -7.413 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.658 -5.873 5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.247 -6.595 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.937 -8.124 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.171 -7.629 8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.784 -8.345 8.709 1.00 0.00 H new ATOM 393 N TRP A 31 6.786 -4.682 2.669 1.00 0.00 N ATOM 394 CA TRP A 31 7.155 -4.202 1.342 1.00 0.00 C ATOM 395 C TRP A 31 8.460 -3.414 1.392 1.00 0.00 C ATOM 396 O TRP A 31 9.087 -3.299 2.445 1.00 0.00 O ATOM 397 CB TRP A 31 6.039 -3.329 0.765 1.00 0.00 C ATOM 398 CG TRP A 31 4.772 -4.083 0.499 1.00 0.00 C ATOM 399 CD1 TRP A 31 4.415 -4.702 -0.664 1.00 0.00 C ATOM 400 CD2 TRP A 31 3.693 -4.296 1.416 1.00 0.00 C ATOM 401 NE1 TRP A 31 3.180 -5.287 -0.526 1.00 0.00 N ATOM 402 CE2 TRP A 31 2.716 -5.053 0.741 1.00 0.00 C ATOM 403 CE3 TRP A 31 3.459 -3.923 2.743 1.00 0.00 C ATOM 404 CZ2 TRP A 31 1.525 -5.441 1.348 1.00 0.00 C ATOM 405 CZ3 TRP A 31 2.276 -4.309 3.344 1.00 0.00 C ATOM 406 CH2 TRP A 31 1.321 -5.062 2.647 1.00 0.00 C ATOM 0 H TRP A 31 7.194 -4.151 3.438 1.00 0.00 H new ATOM 0 HA TRP A 31 7.300 -5.068 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.830 -2.514 1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.385 -2.876 -0.164 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.016 -4.728 -1.561 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.688 -5.811 -1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.189 -3.344 3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.788 -6.021 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.084 -4.026 4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.406 -5.349 3.145 1.00 0.00 H new ATOM 417 N HIS A 32 8.863 -2.872 0.246 1.00 0.00 N ATOM 418 CA HIS A 32 10.094 -2.094 0.160 1.00 0.00 C ATOM 419 C HIS A 32 9.787 -0.616 -0.060 1.00 0.00 C ATOM 420 O HIS A 32 8.749 -0.264 -0.619 1.00 0.00 O ATOM 421 CB HIS A 32 10.976 -2.619 -0.973 1.00 0.00 C ATOM 422 CG HIS A 32 11.650 -3.918 -0.655 1.00 0.00 C ATOM 423 ND1 HIS A 32 11.784 -4.940 -1.571 1.00 0.00 N ATOM 424 CD2 HIS A 32 12.232 -4.357 0.485 1.00 0.00 C ATOM 425 CE1 HIS A 32 12.417 -5.953 -1.007 1.00 0.00 C ATOM 426 NE2 HIS A 32 12.701 -5.624 0.241 1.00 0.00 N ATOM 0 H HIS A 32 8.355 -2.957 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 32 10.629 -2.199 1.104 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.367 -2.745 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.735 -1.873 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.313 -3.812 1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.661 -6.890 -1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.189 -6.215 0.914 1.00 0.00 H new ATOM 434 N ASN A 33 10.698 0.245 0.384 1.00 0.00 N ATOM 435 CA ASN A 33 10.524 1.685 0.236 1.00 0.00 C ATOM 436 C ASN A 33 10.060 2.035 -1.174 1.00 0.00 C ATOM 437 O ASN A 33 9.459 3.086 -1.398 1.00 0.00 O ATOM 438 CB ASN A 33 11.833 2.412 0.549 1.00 0.00 C ATOM 439 CG ASN A 33 11.602 3.785 1.152 1.00 0.00 C ATOM 440 OD1 ASN A 33 11.703 4.802 0.466 1.00 0.00 O ATOM 441 ND2 ASN A 33 11.292 3.819 2.443 1.00 0.00 N ATOM 0 H ASN A 33 11.563 -0.030 0.849 1.00 0.00 H new ATOM 0 HA ASN A 33 9.759 2.008 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.424 1.810 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.417 2.513 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.127 4.714 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.219 2.951 2.973 1.00 0.00 H new ATOM 448 N ASP A 34 10.341 1.147 -2.122 1.00 0.00 N ATOM 449 CA ASP A 34 9.951 1.361 -3.510 1.00 0.00 C ATOM 450 C ASP A 34 8.752 0.493 -3.878 1.00 0.00 C ATOM 451 O ASP A 34 7.709 0.999 -4.292 1.00 0.00 O ATOM 452 CB ASP A 34 11.123 1.055 -4.444 1.00 0.00 C ATOM 453 CG ASP A 34 12.064 2.234 -4.598 1.00 0.00 C ATOM 454 OD1 ASP A 34 11.616 3.289 -5.096 1.00 0.00 O ATOM 455 OD2 ASP A 34 13.247 2.102 -4.222 1.00 0.00 O ATOM 0 H ASP A 34 10.838 0.272 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 34 9.668 2.407 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.677 0.199 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.739 0.770 -5.423 1.00 0.00 H new ATOM 460 N CYS A 35 8.907 -0.818 -3.723 1.00 0.00 N ATOM 461 CA CYS A 35 7.839 -1.758 -4.040 1.00 0.00 C ATOM 462 C CYS A 35 6.514 -1.298 -3.438 1.00 0.00 C ATOM 463 O CYS A 35 5.459 -1.431 -4.058 1.00 0.00 O ATOM 464 CB CYS A 35 8.190 -3.154 -3.522 1.00 0.00 C ATOM 465 SG CYS A 35 9.613 -3.922 -4.360 1.00 0.00 S ATOM 0 H CYS A 35 9.763 -1.253 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 35 7.732 -1.796 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.401 -3.091 -2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.321 -3.802 -3.637 1.00 0.00 H new ATOM 470 N PHE A 36 6.578 -0.757 -2.226 1.00 0.00 N ATOM 471 CA PHE A 36 5.384 -0.278 -1.539 1.00 0.00 C ATOM 472 C PHE A 36 4.663 0.777 -2.373 1.00 0.00 C ATOM 473 O PHE A 36 5.053 1.944 -2.389 1.00 0.00 O ATOM 474 CB PHE A 36 5.754 0.301 -0.172 1.00 0.00 C ATOM 475 CG PHE A 36 4.597 0.368 0.784 1.00 0.00 C ATOM 476 CD1 PHE A 36 3.771 -0.729 0.971 1.00 0.00 C ATOM 477 CD2 PHE A 36 4.335 1.528 1.495 1.00 0.00 C ATOM 478 CE1 PHE A 36 2.706 -0.670 1.849 1.00 0.00 C ATOM 479 CE2 PHE A 36 3.271 1.593 2.375 1.00 0.00 C ATOM 480 CZ PHE A 36 2.456 0.492 2.553 1.00 0.00 C ATOM 0 H PHE A 36 7.444 -0.639 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 36 4.712 -1.125 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.545 -0.306 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.160 1.303 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.962 -1.640 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.970 2.391 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.069 -1.532 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.077 2.503 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.625 0.540 3.241 1.00 0.00 H new ATOM 490 N ASN A 37 3.609 0.358 -3.065 1.00 0.00 N ATOM 491 CA ASN A 37 2.834 1.266 -3.903 1.00 0.00 C ATOM 492 C ASN A 37 1.396 0.777 -4.048 1.00 0.00 C ATOM 493 O ASN A 37 1.129 -0.424 -4.008 1.00 0.00 O ATOM 494 CB ASN A 37 3.481 1.398 -5.283 1.00 0.00 C ATOM 495 CG ASN A 37 4.896 1.939 -5.208 1.00 0.00 C ATOM 496 OD1 ASN A 37 5.145 2.973 -4.588 1.00 0.00 O ATOM 497 ND2 ASN A 37 5.831 1.240 -5.842 1.00 0.00 N ATOM 0 H ASN A 37 3.272 -0.605 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 37 2.821 2.244 -3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.493 0.423 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.875 2.058 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.801 1.555 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.579 0.388 -6.343 1.00 0.00 H new ATOM 504 N CYS A 38 0.472 1.718 -4.217 1.00 0.00 N ATOM 505 CA CYS A 38 -0.939 1.385 -4.369 1.00 0.00 C ATOM 506 C CYS A 38 -1.122 0.211 -5.327 1.00 0.00 C ATOM 507 O CYS A 38 -0.185 -0.194 -6.016 1.00 0.00 O ATOM 508 CB CYS A 38 -1.719 2.599 -4.879 1.00 0.00 C ATOM 509 SG CYS A 38 -3.527 2.441 -4.720 1.00 0.00 S ATOM 0 H CYS A 38 0.676 2.717 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.325 1.097 -3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.393 3.483 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.470 2.763 -5.927 1.00 0.00 H new ATOM 514 N LYS A 39 -2.334 -0.331 -5.365 1.00 0.00 N ATOM 515 CA LYS A 39 -2.642 -1.458 -6.238 1.00 0.00 C ATOM 516 C LYS A 39 -3.502 -1.013 -7.417 1.00 0.00 C ATOM 517 O LYS A 39 -3.679 -1.754 -8.384 1.00 0.00 O ATOM 518 CB LYS A 39 -3.362 -2.556 -5.453 1.00 0.00 C ATOM 519 CG LYS A 39 -3.184 -3.944 -6.046 1.00 0.00 C ATOM 520 CD LYS A 39 -4.328 -4.302 -6.979 1.00 0.00 C ATOM 521 CE LYS A 39 -3.866 -5.217 -8.103 1.00 0.00 C ATOM 522 NZ LYS A 39 -4.780 -5.160 -9.277 1.00 0.00 N ATOM 0 H LYS A 39 -3.120 -0.008 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.703 -1.854 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.994 -2.558 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.426 -2.322 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.241 -3.990 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.124 -4.679 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.121 -4.791 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.753 -3.391 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.860 -4.933 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.809 -6.242 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.430 -5.797 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.734 -5.456 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.815 -4.187 -9.643 1.00 0.00 H new ATOM 536 N LYS A 40 -4.035 0.201 -7.330 1.00 0.00 N ATOM 537 CA LYS A 40 -4.875 0.746 -8.389 1.00 0.00 C ATOM 538 C LYS A 40 -4.118 1.796 -9.197 1.00 0.00 C ATOM 539 O LYS A 40 -4.165 1.799 -10.428 1.00 0.00 O ATOM 540 CB LYS A 40 -6.145 1.361 -7.796 1.00 0.00 C ATOM 541 CG LYS A 40 -7.322 1.368 -8.756 1.00 0.00 C ATOM 542 CD LYS A 40 -8.647 1.413 -8.012 1.00 0.00 C ATOM 543 CE LYS A 40 -9.111 0.020 -7.616 1.00 0.00 C ATOM 544 NZ LYS A 40 -9.792 -0.679 -8.741 1.00 0.00 N ATOM 0 H LYS A 40 -3.900 0.827 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.152 -0.071 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.422 0.808 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.933 2.384 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.247 2.229 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.286 0.478 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.544 2.031 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.403 1.884 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.254 -0.569 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.792 0.092 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.093 -1.625 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.624 -0.131 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.135 -0.770 -9.542 1.00 0.00 H new ATOM 558 N CYS A 41 -3.421 2.685 -8.498 1.00 0.00 N ATOM 559 CA CYS A 41 -2.654 3.740 -9.150 1.00 0.00 C ATOM 560 C CYS A 41 -1.157 3.533 -8.937 1.00 0.00 C ATOM 561 O CYS A 41 -0.336 4.301 -9.439 1.00 0.00 O ATOM 562 CB CYS A 41 -3.072 5.110 -8.613 1.00 0.00 C ATOM 563 SG CYS A 41 -2.608 5.402 -6.876 1.00 0.00 S ATOM 0 H CYS A 41 -3.371 2.696 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.861 3.698 -10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.621 5.884 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.153 5.212 -8.711 1.00 0.00 H new ATOM 568 N SER A 42 -0.809 2.491 -8.188 1.00 0.00 N ATOM 569 CA SER A 42 0.588 2.186 -7.905 1.00 0.00 C ATOM 570 C SER A 42 1.353 3.448 -7.519 1.00 0.00 C ATOM 571 O SER A 42 2.448 3.704 -8.023 1.00 0.00 O ATOM 572 CB SER A 42 1.245 1.529 -9.121 1.00 0.00 C ATOM 573 OG SER A 42 1.076 0.123 -9.094 1.00 0.00 O ATOM 0 H SER A 42 -1.476 1.844 -7.767 1.00 0.00 H new ATOM 0 HA SER A 42 0.619 1.492 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.811 1.933 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.308 1.770 -9.139 1.00 0.00 H new ATOM 0 HG SER A 42 1.503 -0.273 -9.882 1.00 0.00 H new ATOM 579 N LEU A 43 0.769 4.235 -6.623 1.00 0.00 N ATOM 580 CA LEU A 43 1.395 5.473 -6.168 1.00 0.00 C ATOM 581 C LEU A 43 2.225 5.233 -4.911 1.00 0.00 C ATOM 582 O LEU A 43 1.958 4.307 -4.146 1.00 0.00 O ATOM 583 CB LEU A 43 0.329 6.535 -5.894 1.00 0.00 C ATOM 584 CG LEU A 43 0.784 7.748 -5.081 1.00 0.00 C ATOM 585 CD1 LEU A 43 1.504 8.748 -5.972 1.00 0.00 C ATOM 586 CD2 LEU A 43 -0.404 8.404 -4.392 1.00 0.00 C ATOM 0 H LEU A 43 -0.137 4.039 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 43 2.058 5.828 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.058 6.888 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.501 6.061 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 43 1.481 7.407 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.820 9.604 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.378 8.274 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.830 9.084 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.062 9.265 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.125 8.731 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.878 7.687 -3.722 1.00 0.00 H new ATOM 598 N SER A 44 3.233 6.075 -4.704 1.00 0.00 N ATOM 599 CA SER A 44 4.104 5.954 -3.541 1.00 0.00 C ATOM 600 C SER A 44 3.295 6.007 -2.249 1.00 0.00 C ATOM 601 O SER A 44 2.654 7.014 -1.944 1.00 0.00 O ATOM 602 CB SER A 44 5.153 7.067 -3.545 1.00 0.00 C ATOM 603 OG SER A 44 6.189 6.795 -2.618 1.00 0.00 O ATOM 0 H SER A 44 3.466 6.848 -5.327 1.00 0.00 H new ATOM 0 HA SER A 44 4.608 4.989 -3.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.574 7.171 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.680 8.018 -3.298 1.00 0.00 H new ATOM 0 HG SER A 44 6.847 7.520 -2.641 1.00 0.00 H new ATOM 609 N LEU A 45 3.328 4.916 -1.492 1.00 0.00 N ATOM 610 CA LEU A 45 2.598 4.836 -0.231 1.00 0.00 C ATOM 611 C LEU A 45 3.543 4.999 0.955 1.00 0.00 C ATOM 612 O LEU A 45 3.123 5.380 2.048 1.00 0.00 O ATOM 613 CB LEU A 45 1.860 3.501 -0.130 1.00 0.00 C ATOM 614 CG LEU A 45 0.611 3.357 -1.000 1.00 0.00 C ATOM 615 CD1 LEU A 45 0.058 1.943 -0.911 1.00 0.00 C ATOM 616 CD2 LEU A 45 -0.446 4.372 -0.589 1.00 0.00 C ATOM 0 H LEU A 45 3.853 4.074 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 45 1.871 5.648 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.555 2.704 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.574 3.345 0.910 1.00 0.00 H new ATOM 0 HG LEU A 45 0.889 3.552 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.831 1.860 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.812 1.235 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.204 1.719 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.328 4.255 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.721 4.210 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.048 5.380 -0.706 1.00 0.00 H new ATOM 628 N VAL A 46 4.821 4.710 0.733 1.00 0.00 N ATOM 629 CA VAL A 46 5.826 4.828 1.782 1.00 0.00 C ATOM 630 C VAL A 46 5.793 6.211 2.422 1.00 0.00 C ATOM 631 O VAL A 46 6.023 7.220 1.756 1.00 0.00 O ATOM 632 CB VAL A 46 7.241 4.559 1.237 1.00 0.00 C ATOM 633 CG1 VAL A 46 7.488 5.366 -0.028 1.00 0.00 C ATOM 634 CG2 VAL A 46 8.288 4.877 2.295 1.00 0.00 C ATOM 0 H VAL A 46 5.185 4.392 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 46 5.587 4.077 2.535 1.00 0.00 H new ATOM 0 HB VAL A 46 7.320 3.501 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.493 5.163 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.758 5.085 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.391 6.429 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.282 4.681 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.211 5.927 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.121 4.251 3.172 1.00 0.00 H new ATOM 644 N GLY A 47 5.505 6.251 3.719 1.00 0.00 N ATOM 645 CA GLY A 47 5.448 7.516 4.428 1.00 0.00 C ATOM 646 C GLY A 47 4.100 8.196 4.294 1.00 0.00 C ATOM 647 O GLY A 47 3.997 9.416 4.419 1.00 0.00 O ATOM 0 H GLY A 47 5.310 5.430 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.663 7.347 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.225 8.178 4.046 1.00 0.00 H new ATOM 651 N ARG A 48 3.064 7.405 4.036 1.00 0.00 N ATOM 652 CA ARG A 48 1.715 7.938 3.882 1.00 0.00 C ATOM 653 C ARG A 48 0.707 7.100 4.662 1.00 0.00 C ATOM 654 O ARG A 48 1.075 6.156 5.359 1.00 0.00 O ATOM 655 CB ARG A 48 1.326 7.977 2.403 1.00 0.00 C ATOM 656 CG ARG A 48 2.371 8.636 1.516 1.00 0.00 C ATOM 657 CD ARG A 48 1.758 9.150 0.222 1.00 0.00 C ATOM 658 NE ARG A 48 1.179 10.480 0.381 1.00 0.00 N ATOM 659 CZ ARG A 48 0.257 10.983 -0.433 1.00 0.00 C ATOM 660 NH1 ARG A 48 -0.187 10.269 -1.457 1.00 0.00 N ATOM 661 NH2 ARG A 48 -0.222 12.202 -0.222 1.00 0.00 N ATOM 0 H ARG A 48 3.132 6.393 3.929 1.00 0.00 H new ATOM 0 HA ARG A 48 1.704 8.952 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.155 6.959 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.382 8.513 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.837 9.462 2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.160 7.920 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.522 9.178 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.987 8.457 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 48 1.500 11.055 1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.179 9.331 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.895 10.657 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.117 12.754 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.930 12.587 -0.847 1.00 0.00 H new ATOM 675 N GLY A 49 -0.569 7.453 4.539 1.00 0.00 N ATOM 676 CA GLY A 49 -1.611 6.724 5.238 1.00 0.00 C ATOM 677 C GLY A 49 -2.286 5.691 4.359 1.00 0.00 C ATOM 678 O GLY A 49 -3.505 5.713 4.185 1.00 0.00 O ATOM 0 H GLY A 49 -0.900 8.231 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.182 6.230 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.358 7.427 5.606 1.00 0.00 H new ATOM 682 N PHE A 50 -1.493 4.782 3.801 1.00 0.00 N ATOM 683 CA PHE A 50 -2.020 3.737 2.932 1.00 0.00 C ATOM 684 C PHE A 50 -3.056 2.891 3.666 1.00 0.00 C ATOM 685 O PHE A 50 -3.005 2.748 4.888 1.00 0.00 O ATOM 686 CB PHE A 50 -0.885 2.846 2.423 1.00 0.00 C ATOM 687 CG PHE A 50 -0.212 2.055 3.508 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.856 2.588 4.211 1.00 0.00 C ATOM 689 CD2 PHE A 50 -0.647 0.778 3.825 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.478 1.863 5.210 1.00 0.00 C ATOM 691 CE2 PHE A 50 -0.030 0.049 4.823 1.00 0.00 C ATOM 692 CZ PHE A 50 1.035 0.591 5.516 1.00 0.00 C ATOM 0 H PHE A 50 -0.482 4.748 3.936 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.505 4.217 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.281 2.159 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.142 3.468 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.207 3.582 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.478 0.348 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.309 2.291 5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.380 -0.944 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.520 0.022 6.295 1.00 0.00 H new ATOM 702 N LEU A 51 -3.996 2.332 2.912 1.00 0.00 N ATOM 703 CA LEU A 51 -5.046 1.499 3.490 1.00 0.00 C ATOM 704 C LEU A 51 -4.707 0.019 3.348 1.00 0.00 C ATOM 705 O LEU A 51 -3.635 -0.340 2.860 1.00 0.00 O ATOM 706 CB LEU A 51 -6.387 1.794 2.816 1.00 0.00 C ATOM 707 CG LEU A 51 -6.790 3.267 2.738 1.00 0.00 C ATOM 708 CD1 LEU A 51 -6.218 3.912 1.485 1.00 0.00 C ATOM 709 CD2 LEU A 51 -8.305 3.408 2.769 1.00 0.00 C ATOM 0 H LEU A 51 -4.053 2.440 1.899 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.120 1.735 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.358 1.392 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.167 1.253 3.352 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.379 3.782 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.515 4.960 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.130 3.844 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.598 3.395 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.573 4.463 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.737 2.878 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.691 2.984 3.696 1.00 0.00 H new ATOM 721 N THR A 52 -5.629 -0.838 3.775 1.00 0.00 N ATOM 722 CA THR A 52 -5.429 -2.279 3.695 1.00 0.00 C ATOM 723 C THR A 52 -6.655 -2.973 3.110 1.00 0.00 C ATOM 724 O THR A 52 -7.636 -3.214 3.812 1.00 0.00 O ATOM 725 CB THR A 52 -5.125 -2.882 5.079 1.00 0.00 C ATOM 726 OG1 THR A 52 -6.108 -2.453 6.028 1.00 0.00 O ATOM 727 CG2 THR A 52 -3.740 -2.471 5.555 1.00 0.00 C ATOM 0 H THR A 52 -6.522 -0.558 4.180 1.00 0.00 H new ATOM 0 HA THR A 52 -4.574 -2.443 3.039 1.00 0.00 H new ATOM 0 HB THR A 52 -5.155 -3.968 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.002 -2.546 5.638 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.547 -2.909 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.992 -2.825 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.687 -1.385 5.626 1.00 0.00 H new ATOM 735 N GLU A 53 -6.590 -3.290 1.820 1.00 0.00 N ATOM 736 CA GLU A 53 -7.695 -3.956 1.142 1.00 0.00 C ATOM 737 C GLU A 53 -7.748 -5.436 1.512 1.00 0.00 C ATOM 738 O GLU A 53 -6.800 -5.980 2.077 1.00 0.00 O ATOM 739 CB GLU A 53 -7.559 -3.803 -0.374 1.00 0.00 C ATOM 740 CG GLU A 53 -8.891 -3.679 -1.096 1.00 0.00 C ATOM 741 CD GLU A 53 -8.841 -4.224 -2.510 1.00 0.00 C ATOM 742 OE1 GLU A 53 -8.222 -3.569 -3.375 1.00 0.00 O ATOM 743 OE2 GLU A 53 -9.420 -5.303 -2.752 1.00 0.00 O ATOM 0 H GLU A 53 -5.785 -3.096 1.225 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.623 -3.485 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.955 -2.921 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.019 -4.663 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.657 -4.212 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.188 -2.631 -1.125 1.00 0.00 H new ATOM 750 N ARG A 54 -8.865 -6.081 1.189 1.00 0.00 N ATOM 751 CA ARG A 54 -9.043 -7.496 1.488 1.00 0.00 C ATOM 752 C ARG A 54 -7.716 -8.243 1.395 1.00 0.00 C ATOM 753 O ARG A 54 -7.172 -8.691 2.404 1.00 0.00 O ATOM 754 CB ARG A 54 -10.060 -8.118 0.529 1.00 0.00 C ATOM 755 CG ARG A 54 -11.391 -7.387 0.494 1.00 0.00 C ATOM 756 CD ARG A 54 -12.465 -8.217 -0.192 1.00 0.00 C ATOM 757 NE ARG A 54 -13.793 -7.627 -0.041 1.00 0.00 N ATOM 758 CZ ARG A 54 -14.834 -7.957 -0.797 1.00 0.00 C ATOM 759 NH1 ARG A 54 -14.702 -8.868 -1.751 1.00 0.00 N ATOM 760 NH2 ARG A 54 -16.010 -7.376 -0.598 1.00 0.00 N ATOM 0 H ARG A 54 -9.659 -5.646 0.720 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.417 -7.582 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.637 -8.133 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.232 -9.155 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.705 -7.152 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.273 -6.439 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.229 -8.311 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.466 -9.224 0.225 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.928 -6.923 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.799 -9.317 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.503 -9.120 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.115 -6.675 0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.809 -7.630 -1.179 1.00 0.00 H new ATOM 774 N ASP A 55 -7.201 -8.374 0.177 1.00 0.00 N ATOM 775 CA ASP A 55 -5.938 -9.066 -0.049 1.00 0.00 C ATOM 776 C ASP A 55 -4.966 -8.183 -0.825 1.00 0.00 C ATOM 777 O ASP A 55 -4.076 -8.680 -1.516 1.00 0.00 O ATOM 778 CB ASP A 55 -6.176 -10.373 -0.807 1.00 0.00 C ATOM 779 CG ASP A 55 -5.129 -11.423 -0.493 1.00 0.00 C ATOM 780 OD1 ASP A 55 -3.945 -11.198 -0.821 1.00 0.00 O ATOM 781 OD2 ASP A 55 -5.493 -12.470 0.082 1.00 0.00 O ATOM 0 H ASP A 55 -7.639 -8.010 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.498 -9.294 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.163 -10.761 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.176 -10.173 -1.879 1.00 0.00 H new ATOM 786 N ASP A 56 -5.143 -6.872 -0.707 1.00 0.00 N ATOM 787 CA ASP A 56 -4.281 -5.919 -1.398 1.00 0.00 C ATOM 788 C ASP A 56 -4.250 -4.582 -0.663 1.00 0.00 C ATOM 789 O ASP A 56 -5.047 -4.344 0.245 1.00 0.00 O ATOM 790 CB ASP A 56 -4.761 -5.714 -2.836 1.00 0.00 C ATOM 791 CG ASP A 56 -4.647 -6.975 -3.670 1.00 0.00 C ATOM 792 OD1 ASP A 56 -3.543 -7.558 -3.716 1.00 0.00 O ATOM 793 OD2 ASP A 56 -5.661 -7.379 -4.275 1.00 0.00 O ATOM 0 H ASP A 56 -5.875 -6.444 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.270 -6.327 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.799 -5.382 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.177 -4.920 -3.301 1.00 0.00 H new ATOM 798 N ILE A 57 -3.325 -3.715 -1.061 1.00 0.00 N ATOM 799 CA ILE A 57 -3.191 -2.403 -0.440 1.00 0.00 C ATOM 800 C ILE A 57 -3.590 -1.294 -1.408 1.00 0.00 C ATOM 801 O ILE A 57 -3.607 -1.492 -2.623 1.00 0.00 O ATOM 802 CB ILE A 57 -1.750 -2.154 0.043 1.00 0.00 C ATOM 803 CG1 ILE A 57 -0.756 -2.428 -1.087 1.00 0.00 C ATOM 804 CG2 ILE A 57 -1.439 -3.023 1.252 1.00 0.00 C ATOM 805 CD1 ILE A 57 0.648 -1.952 -0.785 1.00 0.00 C ATOM 0 H ILE A 57 -2.658 -3.897 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.861 -2.390 0.420 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.657 -1.109 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.733 -3.499 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.108 -1.941 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.417 -2.836 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.130 -2.783 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.546 -4.074 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.299 -2.179 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.638 -0.876 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.020 -2.458 0.106 1.00 0.00 H new ATOM 817 N LEU A 58 -3.909 -0.126 -0.861 1.00 0.00 N ATOM 818 CA LEU A 58 -4.307 1.017 -1.675 1.00 0.00 C ATOM 819 C LEU A 58 -3.978 2.329 -0.969 1.00 0.00 C ATOM 820 O LEU A 58 -3.602 2.338 0.203 1.00 0.00 O ATOM 821 CB LEU A 58 -5.803 0.952 -1.984 1.00 0.00 C ATOM 822 CG LEU A 58 -6.307 -0.358 -2.590 1.00 0.00 C ATOM 823 CD1 LEU A 58 -7.808 -0.497 -2.388 1.00 0.00 C ATOM 824 CD2 LEU A 58 -5.958 -0.432 -4.069 1.00 0.00 C ATOM 0 H LEU A 58 -3.900 0.054 0.143 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.748 0.978 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.353 1.137 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.048 1.764 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.814 -1.185 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.149 -1.435 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.034 -0.491 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.319 0.336 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.325 -1.371 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.423 0.402 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.876 -0.380 -4.191 1.00 0.00 H new ATOM 836 N CYS A 59 -4.124 3.435 -1.690 1.00 0.00 N ATOM 837 CA CYS A 59 -3.845 4.753 -1.134 1.00 0.00 C ATOM 838 C CYS A 59 -5.137 5.460 -0.735 1.00 0.00 C ATOM 839 O CYS A 59 -6.223 5.148 -1.226 1.00 0.00 O ATOM 840 CB CYS A 59 -3.077 5.605 -2.147 1.00 0.00 C ATOM 841 SG CYS A 59 -4.058 6.093 -3.603 1.00 0.00 S ATOM 0 H CYS A 59 -4.434 3.445 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.233 4.621 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.714 6.504 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.200 5.050 -2.482 1.00 0.00 H new ATOM 846 N PRO A 60 -5.020 6.436 0.178 1.00 0.00 N ATOM 847 CA PRO A 60 -6.168 7.208 0.663 1.00 0.00 C ATOM 848 C PRO A 60 -7.048 7.715 -0.474 1.00 0.00 C ATOM 849 O PRO A 60 -8.272 7.767 -0.349 1.00 0.00 O ATOM 850 CB PRO A 60 -5.520 8.382 1.401 1.00 0.00 C ATOM 851 CG PRO A 60 -4.186 7.872 1.825 1.00 0.00 C ATOM 852 CD PRO A 60 -3.758 6.862 0.805 1.00 0.00 C ATOM 0 HA PRO A 60 -6.829 6.606 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.423 9.253 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.118 8.689 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.464 8.686 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.243 7.420 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.076 7.296 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.238 6.023 1.267 1.00 0.00 H new ATOM 860 N ASP A 61 -6.418 8.088 -1.583 1.00 0.00 N ATOM 861 CA ASP A 61 -7.145 8.589 -2.744 1.00 0.00 C ATOM 862 C ASP A 61 -8.073 7.518 -3.308 1.00 0.00 C ATOM 863 O ASP A 61 -9.275 7.739 -3.458 1.00 0.00 O ATOM 864 CB ASP A 61 -6.166 9.054 -3.823 1.00 0.00 C ATOM 865 CG ASP A 61 -6.859 9.779 -4.960 1.00 0.00 C ATOM 866 OD1 ASP A 61 -8.042 9.477 -5.222 1.00 0.00 O ATOM 867 OD2 ASP A 61 -6.218 10.647 -5.589 1.00 0.00 O ATOM 0 H ASP A 61 -5.406 8.053 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.751 9.437 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.423 9.713 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.630 8.192 -4.219 1.00 0.00 H new ATOM 872 N CYS A 62 -7.507 6.357 -3.621 1.00 0.00 N ATOM 873 CA CYS A 62 -8.282 5.251 -4.170 1.00 0.00 C ATOM 874 C CYS A 62 -9.214 4.663 -3.115 1.00 0.00 C ATOM 875 O CYS A 62 -10.425 4.580 -3.317 1.00 0.00 O ATOM 876 CB CYS A 62 -7.349 4.164 -4.706 1.00 0.00 C ATOM 877 SG CYS A 62 -6.314 4.696 -6.107 1.00 0.00 S ATOM 0 H CYS A 62 -6.514 6.158 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.888 5.636 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.701 3.826 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.947 3.307 -5.015 1.00 0.00 H new ATOM 882 N GLY A 63 -8.640 4.256 -1.987 1.00 0.00 N ATOM 883 CA GLY A 63 -9.433 3.680 -0.916 1.00 0.00 C ATOM 884 C GLY A 63 -10.589 4.572 -0.508 1.00 0.00 C ATOM 885 O GLY A 63 -11.661 4.085 -0.147 1.00 0.00 O ATOM 0 H GLY A 63 -7.640 4.315 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.820 2.712 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.794 3.500 -0.051 1.00 0.00 H new ATOM 889 N LYS A 64 -10.372 5.881 -0.562 1.00 0.00 N ATOM 890 CA LYS A 64 -11.403 6.844 -0.194 1.00 0.00 C ATOM 891 C LYS A 64 -12.794 6.292 -0.491 1.00 0.00 C ATOM 892 O LYS A 64 -13.658 6.258 0.385 1.00 0.00 O ATOM 893 CB LYS A 64 -11.194 8.160 -0.947 1.00 0.00 C ATOM 894 CG LYS A 64 -11.398 9.393 -0.086 1.00 0.00 C ATOM 895 CD LYS A 64 -10.815 10.634 -0.741 1.00 0.00 C ATOM 896 CE LYS A 64 -11.840 11.333 -1.621 1.00 0.00 C ATOM 897 NZ LYS A 64 -11.193 12.169 -2.669 1.00 0.00 N ATOM 0 H LYS A 64 -9.490 6.300 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.325 7.029 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.185 8.177 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.882 8.199 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.463 9.541 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.930 9.240 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.464 11.322 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.948 10.357 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.480 10.589 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.483 11.959 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.925 12.628 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.602 12.896 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.599 11.568 -3.275 1.00 0.00 H new ATOM 911 N ASP A 65 -13.001 5.859 -1.729 1.00 0.00 N ATOM 912 CA ASP A 65 -14.286 5.306 -2.141 1.00 0.00 C ATOM 913 C ASP A 65 -14.806 4.311 -1.107 1.00 0.00 C ATOM 914 O ASP A 65 -15.959 4.388 -0.682 1.00 0.00 O ATOM 915 CB ASP A 65 -14.159 4.624 -3.504 1.00 0.00 C ATOM 916 CG ASP A 65 -15.420 3.879 -3.898 1.00 0.00 C ATOM 917 OD1 ASP A 65 -16.522 4.432 -3.701 1.00 0.00 O ATOM 918 OD2 ASP A 65 -15.303 2.743 -4.404 1.00 0.00 O ATOM 0 H ASP A 65 -12.295 5.880 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.998 6.127 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.931 5.373 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.321 3.928 -3.482 1.00 0.00 H new ATOM 923 N ILE A 66 -13.947 3.379 -0.707 1.00 0.00 N ATOM 924 CA ILE A 66 -14.320 2.370 0.276 1.00 0.00 C ATOM 925 C ILE A 66 -14.942 3.010 1.513 1.00 0.00 C ATOM 926 O ILE A 66 -14.274 3.731 2.253 1.00 0.00 O ATOM 927 CB ILE A 66 -13.105 1.526 0.706 1.00 0.00 C ATOM 928 CG1 ILE A 66 -12.504 0.805 -0.503 1.00 0.00 C ATOM 929 CG2 ILE A 66 -13.507 0.527 1.780 1.00 0.00 C ATOM 930 CD1 ILE A 66 -11.104 0.285 -0.262 1.00 0.00 C ATOM 0 H ILE A 66 -12.989 3.302 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.053 1.721 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 66 -12.348 2.191 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.150 -0.029 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.488 1.488 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -12.638 -0.062 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -13.893 1.062 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -14.279 -0.136 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.742 -0.214 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -10.444 1.117 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.117 -0.423 0.566 1.00 0.00 H new ATOM 942 N SER A 67 -16.225 2.740 1.730 1.00 0.00 N ATOM 943 CA SER A 67 -16.939 3.292 2.876 1.00 0.00 C ATOM 944 C SER A 67 -16.980 4.815 2.808 1.00 0.00 C ATOM 945 O SER A 67 -16.818 5.497 3.819 1.00 0.00 O ATOM 946 CB SER A 67 -16.276 2.845 4.180 1.00 0.00 C ATOM 947 OG SER A 67 -17.067 3.198 5.301 1.00 0.00 O ATOM 0 H SER A 67 -16.792 2.143 1.128 1.00 0.00 H new ATOM 0 HA SER A 67 -17.962 2.917 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.124 1.766 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.291 3.304 4.267 1.00 0.00 H new ATOM 0 HG SER A 67 -17.252 4.160 5.281 1.00 0.00 H new ATOM 953 N GLY A 68 -17.198 5.343 1.607 1.00 0.00 N ATOM 954 CA GLY A 68 -17.257 6.782 1.429 1.00 0.00 C ATOM 955 C GLY A 68 -18.677 7.310 1.436 1.00 0.00 C ATOM 956 O GLY A 68 -19.464 7.025 2.340 1.00 0.00 O ATOM 0 H GLY A 68 -17.335 4.800 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.689 7.267 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.779 7.048 0.486 1.00 0.00 H new ATOM 960 N PRO A 69 -19.024 8.101 0.410 1.00 0.00 N ATOM 961 CA PRO A 69 -20.361 8.688 0.280 1.00 0.00 C ATOM 962 C PRO A 69 -21.424 7.643 -0.039 1.00 0.00 C ATOM 963 O PRO A 69 -21.691 7.350 -1.205 1.00 0.00 O ATOM 964 CB PRO A 69 -20.206 9.667 -0.887 1.00 0.00 C ATOM 965 CG PRO A 69 -19.074 9.125 -1.689 1.00 0.00 C ATOM 966 CD PRO A 69 -18.138 8.483 -0.702 1.00 0.00 C ATOM 0 HA PRO A 69 -20.693 9.157 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.119 9.724 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.993 10.675 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.427 8.399 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.573 9.919 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.635 7.616 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.361 9.175 -0.377 1.00 0.00 H new ATOM 974 N SER A 70 -22.029 7.083 1.004 1.00 0.00 N ATOM 975 CA SER A 70 -23.062 6.068 0.834 1.00 0.00 C ATOM 976 C SER A 70 -23.926 6.370 -0.386 1.00 0.00 C ATOM 977 O SER A 70 -24.497 7.454 -0.503 1.00 0.00 O ATOM 978 CB SER A 70 -23.937 5.986 2.086 1.00 0.00 C ATOM 979 OG SER A 70 -24.434 7.264 2.445 1.00 0.00 O ATOM 0 H SER A 70 -21.822 7.315 1.975 1.00 0.00 H new ATOM 0 HA SER A 70 -22.570 5.107 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 70 -24.770 5.305 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 70 -23.358 5.572 2.912 1.00 0.00 H new ATOM 0 HG SER A 70 -24.659 7.767 1.635 1.00 0.00 H new ATOM 985 N SER A 71 -24.017 5.403 -1.293 1.00 0.00 N ATOM 986 CA SER A 71 -24.808 5.566 -2.507 1.00 0.00 C ATOM 987 C SER A 71 -26.013 4.629 -2.501 1.00 0.00 C ATOM 988 O SER A 71 -27.158 5.072 -2.581 1.00 0.00 O ATOM 989 CB SER A 71 -23.947 5.297 -3.743 1.00 0.00 C ATOM 990 OG SER A 71 -24.407 6.042 -4.857 1.00 0.00 O ATOM 0 H SER A 71 -23.553 4.499 -1.210 1.00 0.00 H new ATOM 0 HA SER A 71 -25.168 6.594 -2.540 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.910 5.557 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.967 4.233 -3.980 1.00 0.00 H new ATOM 0 HG SER A 71 -23.839 5.854 -5.633 1.00 0.00 H new ATOM 996 N GLY A 72 -25.745 3.331 -2.404 1.00 0.00 N ATOM 997 CA GLY A 72 -26.816 2.351 -2.388 1.00 0.00 C ATOM 998 C GLY A 72 -26.521 1.156 -3.273 1.00 0.00 C ATOM 999 O GLY A 72 -27.410 0.332 -3.482 1.00 0.00 O ATOM 0 H GLY A 72 -24.805 2.940 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -26.978 2.011 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -27.742 2.823 -2.717 1.00 0.00 H new TER 1003 GLY A 72 HETATM 1004 ZN ZN A 201 10.226 -5.532 -2.762 1.00 0.00 ZN HETATM 1005 ZN ZN A 401 -4.190 4.612 -5.331 1.00 0.00 ZN