USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 17 TYR OH : rot 165:sc= -0.469 USER MOD Set 1.2: A 19 SER OG : rot 80:sc= -1.7 USER MOD Set 1.3: A 24 ASN : amide:sc= -0.6 X(o=-2.8,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.988 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 47:sc= 0.813 USER MOD Single : A 8 LYS NZ :NH3+ -123:sc= -0.0677 (180deg=-0.395) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= -0.91 (180deg=-1.05!) USER MOD Single : A 14 GLN : amide:sc= -1.62 K(o=-1.6,f=-3) USER MOD Single : A 16 SER OG : rot -37:sc= 0.996 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.85) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.645) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 138:sc= -0.711 USER MOD Single : A 48 SER OG : rot 40:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= 1.24 (180deg=-0.994!) USER MOD Single : A 51 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.435) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.24) USER MOD Single : A 62 LYS NZ :NH3+ -146:sc= -0.179 (180deg=-1.36!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -4.19 K(o=-4.2,f=-12!) USER MOD Single : A 66 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.85) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.095 USER MOD Single : A 75 SER OG : rot 180:sc= -0.28 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.0814 (180deg=-0.435) USER MOD Single : A 79 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.16) USER MOD Single : A 82 LYS NZ :NH3+ 142:sc= -0.0644 (180deg=-1.24) USER MOD Single : A 91 GLN : amide:sc= -0.0329 K(o=-0.033,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.726 -28.579 -3.282 1.00 0.00 N ATOM 2 CA GLY A 1 -36.277 -27.225 -3.548 1.00 0.00 C ATOM 3 C GLY A 1 -36.066 -26.964 -5.026 1.00 0.00 C ATOM 4 O GLY A 1 -35.258 -27.632 -5.672 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.856 -28.707 -2.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.629 -28.747 -3.769 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.015 -29.255 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.011 -26.519 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.345 -27.043 -3.013 1.00 0.00 H new ATOM 8 N SER A 2 -36.794 -25.991 -5.564 1.00 0.00 N ATOM 9 CA SER A 2 -36.687 -25.647 -6.977 1.00 0.00 C ATOM 10 C SER A 2 -36.394 -24.160 -7.154 1.00 0.00 C ATOM 11 O SER A 2 -37.254 -23.314 -6.911 1.00 0.00 O ATOM 12 CB SER A 2 -37.976 -26.015 -7.713 1.00 0.00 C ATOM 13 OG SER A 2 -39.068 -25.242 -7.246 1.00 0.00 O ATOM 0 H SER A 2 -37.465 -25.427 -5.042 1.00 0.00 H new ATOM 0 HA SER A 2 -35.860 -26.216 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.845 -25.856 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.189 -27.075 -7.572 1.00 0.00 H new ATOM 0 HG SER A 2 -38.741 -24.378 -6.919 1.00 0.00 H new ATOM 19 N SER A 3 -35.173 -23.850 -7.577 1.00 0.00 N ATOM 20 CA SER A 3 -34.763 -22.466 -7.783 1.00 0.00 C ATOM 21 C SER A 3 -34.866 -22.082 -9.256 1.00 0.00 C ATOM 22 O SER A 3 -35.368 -21.012 -9.597 1.00 0.00 O ATOM 23 CB SER A 3 -33.331 -22.256 -7.288 1.00 0.00 C ATOM 24 OG SER A 3 -33.292 -22.134 -5.877 1.00 0.00 O ATOM 0 H SER A 3 -34.450 -24.539 -7.784 1.00 0.00 H new ATOM 0 HA SER A 3 -35.434 -21.826 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.708 -23.094 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.913 -21.359 -7.745 1.00 0.00 H new ATOM 0 HG SER A 3 -32.366 -22.002 -5.586 1.00 0.00 H new ATOM 30 N GLY A 4 -34.386 -22.965 -10.126 1.00 0.00 N ATOM 31 CA GLY A 4 -34.432 -22.702 -11.553 1.00 0.00 C ATOM 32 C GLY A 4 -33.273 -23.335 -12.297 1.00 0.00 C ATOM 33 O GLY A 4 -33.033 -24.537 -12.179 1.00 0.00 O ATOM 0 H GLY A 4 -33.966 -23.858 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.370 -23.080 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.423 -21.625 -11.721 1.00 0.00 H new ATOM 37 N SER A 5 -32.553 -22.526 -13.067 1.00 0.00 N ATOM 38 CA SER A 5 -31.417 -23.015 -13.838 1.00 0.00 C ATOM 39 C SER A 5 -30.690 -21.863 -14.525 1.00 0.00 C ATOM 40 O SER A 5 -31.217 -20.756 -14.629 1.00 0.00 O ATOM 41 CB SER A 5 -31.881 -24.034 -14.881 1.00 0.00 C ATOM 42 OG SER A 5 -30.869 -24.989 -15.147 1.00 0.00 O ATOM 0 H SER A 5 -32.737 -21.528 -13.173 1.00 0.00 H new ATOM 0 HA SER A 5 -30.725 -23.500 -13.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.778 -24.540 -14.525 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.150 -23.518 -15.803 1.00 0.00 H new ATOM 0 HG SER A 5 -31.191 -25.629 -15.815 1.00 0.00 H new ATOM 48 N SER A 6 -29.475 -22.133 -14.992 1.00 0.00 N ATOM 49 CA SER A 6 -28.672 -21.119 -15.665 1.00 0.00 C ATOM 50 C SER A 6 -28.454 -21.483 -17.131 1.00 0.00 C ATOM 51 O SER A 6 -27.409 -22.015 -17.501 1.00 0.00 O ATOM 52 CB SER A 6 -27.323 -20.956 -14.963 1.00 0.00 C ATOM 53 OG SER A 6 -26.594 -22.171 -14.972 1.00 0.00 O ATOM 0 H SER A 6 -29.025 -23.045 -14.917 1.00 0.00 H new ATOM 0 HA SER A 6 -29.213 -20.174 -15.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.744 -20.177 -15.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.481 -20.631 -13.935 1.00 0.00 H new ATOM 0 HG SER A 6 -26.618 -22.560 -15.871 1.00 0.00 H new ATOM 59 N GLY A 7 -29.451 -21.192 -17.961 1.00 0.00 N ATOM 60 CA GLY A 7 -29.351 -21.495 -19.377 1.00 0.00 C ATOM 61 C GLY A 7 -29.462 -20.258 -20.244 1.00 0.00 C ATOM 62 O GLY A 7 -29.739 -19.165 -19.749 1.00 0.00 O ATOM 0 H GLY A 7 -30.326 -20.752 -17.678 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.399 -21.988 -19.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.137 -22.199 -19.651 1.00 0.00 H new ATOM 66 N LYS A 8 -29.245 -20.427 -21.544 1.00 0.00 N ATOM 67 CA LYS A 8 -29.322 -19.315 -22.485 1.00 0.00 C ATOM 68 C LYS A 8 -30.227 -19.661 -23.663 1.00 0.00 C ATOM 69 O LYS A 8 -29.783 -20.187 -24.684 1.00 0.00 O ATOM 70 CB LYS A 8 -27.925 -18.950 -22.990 1.00 0.00 C ATOM 71 CG LYS A 8 -26.967 -18.536 -21.887 1.00 0.00 C ATOM 72 CD LYS A 8 -26.084 -19.694 -21.452 1.00 0.00 C ATOM 73 CE LYS A 8 -24.781 -19.726 -22.235 1.00 0.00 C ATOM 74 NZ LYS A 8 -24.873 -20.611 -23.430 1.00 0.00 N ATOM 0 H LYS A 8 -29.014 -21.324 -21.971 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.748 -18.458 -21.963 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.506 -19.804 -23.522 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -28.010 -18.136 -23.710 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.343 -17.713 -22.235 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.533 -18.167 -21.032 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.868 -19.608 -20.387 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.618 -20.633 -21.594 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.522 -18.715 -22.551 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.976 -20.073 -21.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -24.132 -21.339 -23.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -25.807 -21.068 -23.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.744 -20.044 -24.292 1.00 0.00 H new ATOM 88 N PRO A 9 -31.526 -19.357 -23.522 1.00 0.00 N ATOM 89 CA PRO A 9 -32.519 -19.626 -24.566 1.00 0.00 C ATOM 90 C PRO A 9 -32.340 -18.724 -25.782 1.00 0.00 C ATOM 91 O PRO A 9 -32.555 -19.147 -26.918 1.00 0.00 O ATOM 92 CB PRO A 9 -33.851 -19.330 -23.873 1.00 0.00 C ATOM 93 CG PRO A 9 -33.509 -18.364 -22.791 1.00 0.00 C ATOM 94 CD PRO A 9 -32.125 -18.729 -22.333 1.00 0.00 C ATOM 0 HA PRO A 9 -32.440 -20.642 -24.952 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -34.574 -18.905 -24.569 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -34.296 -20.238 -23.467 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -33.541 -17.339 -23.159 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -34.222 -18.430 -21.969 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.562 -17.851 -22.016 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -32.150 -19.415 -21.486 1.00 0.00 H new ATOM 102 N TYR A 10 -31.944 -17.480 -25.537 1.00 0.00 N ATOM 103 CA TYR A 10 -31.738 -16.517 -26.613 1.00 0.00 C ATOM 104 C TYR A 10 -30.530 -16.900 -27.462 1.00 0.00 C ATOM 105 O TYR A 10 -29.434 -17.115 -26.943 1.00 0.00 O ATOM 106 CB TYR A 10 -31.548 -15.112 -26.039 1.00 0.00 C ATOM 107 CG TYR A 10 -32.641 -14.696 -25.080 1.00 0.00 C ATOM 108 CD1 TYR A 10 -32.633 -15.127 -23.759 1.00 0.00 C ATOM 109 CD2 TYR A 10 -33.681 -13.875 -25.496 1.00 0.00 C ATOM 110 CE1 TYR A 10 -33.630 -14.750 -22.880 1.00 0.00 C ATOM 111 CE2 TYR A 10 -34.681 -13.492 -24.623 1.00 0.00 C ATOM 112 CZ TYR A 10 -34.652 -13.932 -23.316 1.00 0.00 C ATOM 113 OH TYR A 10 -35.647 -13.554 -22.444 1.00 0.00 O ATOM 0 H TYR A 10 -31.759 -17.114 -24.603 1.00 0.00 H new ATOM 0 HA TYR A 10 -32.623 -16.525 -27.249 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -30.588 -15.066 -25.525 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -31.505 -14.396 -26.860 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -31.835 -15.767 -23.414 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -33.709 -13.530 -26.519 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.609 -15.094 -21.856 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -35.481 -12.851 -24.962 1.00 0.00 H new ATOM 0 HH TYR A 10 -36.288 -12.977 -22.910 1.00 0.00 H new ATOM 123 N LYS A 11 -30.737 -16.982 -28.772 1.00 0.00 N ATOM 124 CA LYS A 11 -29.667 -17.337 -29.696 1.00 0.00 C ATOM 125 C LYS A 11 -29.376 -16.189 -30.658 1.00 0.00 C ATOM 126 O LYS A 11 -30.262 -15.397 -30.981 1.00 0.00 O ATOM 127 CB LYS A 11 -30.041 -18.594 -30.483 1.00 0.00 C ATOM 128 CG LYS A 11 -29.547 -19.881 -29.844 1.00 0.00 C ATOM 129 CD LYS A 11 -30.194 -20.115 -28.489 1.00 0.00 C ATOM 130 CE LYS A 11 -31.465 -20.941 -28.614 1.00 0.00 C ATOM 131 NZ LYS A 11 -32.540 -20.200 -29.331 1.00 0.00 N ATOM 0 H LYS A 11 -31.638 -16.807 -29.218 1.00 0.00 H new ATOM 0 HA LYS A 11 -28.768 -17.536 -29.113 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -31.125 -18.641 -30.583 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -29.631 -18.517 -31.490 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -29.765 -20.722 -30.502 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -28.464 -19.839 -29.729 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -29.490 -20.626 -27.832 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -30.426 -19.156 -28.025 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -31.246 -21.867 -29.146 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -31.816 -21.219 -27.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -33.415 -20.762 -29.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -32.709 -19.289 -28.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -32.248 -20.031 -30.315 1.00 0.00 H new ATOM 145 N CYS A 12 -28.131 -16.106 -31.114 1.00 0.00 N ATOM 146 CA CYS A 12 -27.724 -15.057 -32.040 1.00 0.00 C ATOM 147 C CYS A 12 -28.122 -15.409 -33.471 1.00 0.00 C ATOM 148 O CYS A 12 -27.828 -16.493 -33.974 1.00 0.00 O ATOM 149 CB CYS A 12 -26.212 -14.835 -31.960 1.00 0.00 C ATOM 150 SG CYS A 12 -25.603 -13.478 -33.011 1.00 0.00 S ATOM 0 H CYS A 12 -27.386 -16.753 -30.857 1.00 0.00 H new ATOM 0 HA CYS A 12 -28.235 -14.138 -31.755 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -25.940 -14.628 -30.925 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -25.705 -15.757 -32.245 1.00 0.00 H new ATOM 155 N PRO A 13 -28.808 -14.472 -34.142 1.00 0.00 N ATOM 156 CA PRO A 13 -29.261 -14.659 -35.523 1.00 0.00 C ATOM 157 C PRO A 13 -28.104 -14.664 -36.517 1.00 0.00 C ATOM 158 O PRO A 13 -28.278 -15.014 -37.684 1.00 0.00 O ATOM 159 CB PRO A 13 -30.169 -13.451 -35.766 1.00 0.00 C ATOM 160 CG PRO A 13 -29.680 -12.412 -34.817 1.00 0.00 C ATOM 161 CD PRO A 13 -29.193 -13.156 -33.603 1.00 0.00 C ATOM 0 HA PRO A 13 -29.759 -15.618 -35.662 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -30.102 -13.107 -36.798 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -31.214 -13.697 -35.579 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -28.878 -11.824 -35.262 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -30.477 -11.717 -34.555 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -28.349 -12.651 -33.134 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -29.972 -13.244 -32.846 1.00 0.00 H new ATOM 169 N GLN A 14 -26.924 -14.273 -36.046 1.00 0.00 N ATOM 170 CA GLN A 14 -25.739 -14.233 -36.895 1.00 0.00 C ATOM 171 C GLN A 14 -24.845 -15.442 -36.640 1.00 0.00 C ATOM 172 O GLN A 14 -24.309 -16.039 -37.574 1.00 0.00 O ATOM 173 CB GLN A 14 -24.954 -12.943 -36.649 1.00 0.00 C ATOM 174 CG GLN A 14 -25.802 -11.686 -36.747 1.00 0.00 C ATOM 175 CD GLN A 14 -24.972 -10.436 -36.958 1.00 0.00 C ATOM 176 OE1 GLN A 14 -25.122 -9.448 -36.239 1.00 0.00 O ATOM 177 NE2 GLN A 14 -24.087 -10.472 -37.948 1.00 0.00 N ATOM 0 H GLN A 14 -26.763 -13.980 -35.082 1.00 0.00 H new ATOM 0 HA GLN A 14 -26.066 -14.259 -37.934 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -24.499 -12.988 -35.660 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -24.140 -12.879 -37.372 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -26.508 -11.792 -37.571 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -26.390 -11.577 -35.836 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -23.995 -11.312 -38.520 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -23.499 -9.660 -38.136 1.00 0.00 H new ATOM 186 N CYS A 15 -24.689 -15.800 -35.370 1.00 0.00 N ATOM 187 CA CYS A 15 -23.860 -16.937 -34.991 1.00 0.00 C ATOM 188 C CYS A 15 -24.588 -17.832 -33.992 1.00 0.00 C ATOM 189 O CYS A 15 -25.746 -17.589 -33.654 1.00 0.00 O ATOM 190 CB CYS A 15 -22.538 -16.455 -34.391 1.00 0.00 C ATOM 191 SG CYS A 15 -22.654 -15.956 -32.642 1.00 0.00 S ATOM 0 H CYS A 15 -25.127 -15.318 -34.585 1.00 0.00 H new ATOM 0 HA CYS A 15 -23.653 -17.518 -35.890 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.798 -17.250 -34.483 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.172 -15.611 -34.975 1.00 0.00 H new ATOM 196 N SER A 16 -23.900 -18.869 -33.524 1.00 0.00 N ATOM 197 CA SER A 16 -24.482 -19.803 -32.567 1.00 0.00 C ATOM 198 C SER A 16 -24.270 -19.317 -31.136 1.00 0.00 C ATOM 199 O SER A 16 -24.074 -20.115 -30.220 1.00 0.00 O ATOM 200 CB SER A 16 -23.868 -21.193 -32.741 1.00 0.00 C ATOM 201 OG SER A 16 -24.444 -22.122 -31.838 1.00 0.00 O ATOM 0 H SER A 16 -22.939 -19.083 -33.792 1.00 0.00 H new ATOM 0 HA SER A 16 -25.554 -19.860 -32.758 1.00 0.00 H new ATOM 0 HB2 SER A 16 -24.019 -21.535 -33.765 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.792 -21.142 -32.577 1.00 0.00 H new ATOM 0 HG SER A 16 -24.624 -21.678 -30.983 1.00 0.00 H new ATOM 207 N TYR A 17 -24.311 -18.002 -30.953 1.00 0.00 N ATOM 208 CA TYR A 17 -24.121 -17.407 -29.635 1.00 0.00 C ATOM 209 C TYR A 17 -25.421 -17.426 -28.836 1.00 0.00 C ATOM 210 O TYR A 17 -26.511 -17.487 -29.405 1.00 0.00 O ATOM 211 CB TYR A 17 -23.612 -15.971 -29.769 1.00 0.00 C ATOM 212 CG TYR A 17 -23.734 -15.165 -28.495 1.00 0.00 C ATOM 213 CD1 TYR A 17 -22.733 -15.196 -27.532 1.00 0.00 C ATOM 214 CD2 TYR A 17 -24.849 -14.372 -28.255 1.00 0.00 C ATOM 215 CE1 TYR A 17 -22.840 -14.462 -26.367 1.00 0.00 C ATOM 216 CE2 TYR A 17 -24.964 -13.633 -27.094 1.00 0.00 C ATOM 217 CZ TYR A 17 -23.957 -13.681 -26.153 1.00 0.00 C ATOM 218 OH TYR A 17 -24.068 -12.948 -24.994 1.00 0.00 O ATOM 0 H TYR A 17 -24.474 -17.328 -31.701 1.00 0.00 H new ATOM 0 HA TYR A 17 -23.379 -18.000 -29.100 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -22.567 -15.992 -30.077 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -24.168 -15.470 -30.561 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.856 -15.805 -27.697 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -25.640 -14.333 -28.989 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -22.054 -14.499 -25.628 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -25.837 -13.021 -26.924 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.778 -12.280 -25.096 1.00 0.00 H new ATOM 228 N ALA A 18 -25.296 -17.373 -27.514 1.00 0.00 N ATOM 229 CA ALA A 18 -26.460 -17.381 -26.636 1.00 0.00 C ATOM 230 C ALA A 18 -26.195 -16.578 -25.367 1.00 0.00 C ATOM 231 O ALA A 18 -25.046 -16.390 -24.968 1.00 0.00 O ATOM 232 CB ALA A 18 -26.848 -18.810 -26.288 1.00 0.00 C ATOM 0 H ALA A 18 -24.401 -17.324 -27.028 1.00 0.00 H new ATOM 0 HA ALA A 18 -27.288 -16.910 -27.166 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -27.718 -18.801 -25.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -27.087 -19.355 -27.201 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -26.017 -19.300 -25.781 1.00 0.00 H new ATOM 238 N SER A 19 -27.266 -16.106 -24.737 1.00 0.00 N ATOM 239 CA SER A 19 -27.149 -15.319 -23.515 1.00 0.00 C ATOM 240 C SER A 19 -28.455 -15.343 -22.727 1.00 0.00 C ATOM 241 O SER A 19 -29.479 -14.836 -23.184 1.00 0.00 O ATOM 242 CB SER A 19 -26.768 -13.875 -23.848 1.00 0.00 C ATOM 243 OG SER A 19 -26.031 -13.286 -22.790 1.00 0.00 O ATOM 0 H SER A 19 -28.224 -16.255 -25.053 1.00 0.00 H new ATOM 0 HA SER A 19 -26.365 -15.762 -22.900 1.00 0.00 H new ATOM 0 HB2 SER A 19 -26.177 -13.853 -24.764 1.00 0.00 H new ATOM 0 HB3 SER A 19 -27.669 -13.292 -24.037 1.00 0.00 H new ATOM 0 HG SER A 19 -25.097 -13.579 -22.839 1.00 0.00 H new ATOM 249 N ALA A 20 -28.410 -15.936 -21.538 1.00 0.00 N ATOM 250 CA ALA A 20 -29.588 -16.025 -20.684 1.00 0.00 C ATOM 251 C ALA A 20 -30.327 -14.692 -20.626 1.00 0.00 C ATOM 252 O ALA A 20 -31.544 -14.653 -20.449 1.00 0.00 O ATOM 253 CB ALA A 20 -29.193 -16.472 -19.285 1.00 0.00 C ATOM 0 H ALA A 20 -27.571 -16.362 -21.145 1.00 0.00 H new ATOM 0 HA ALA A 20 -30.262 -16.766 -21.114 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -30.083 -16.534 -18.658 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -28.717 -17.451 -19.337 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -28.496 -15.752 -18.856 1.00 0.00 H new ATOM 259 N ILE A 21 -29.582 -13.601 -20.777 1.00 0.00 N ATOM 260 CA ILE A 21 -30.167 -12.267 -20.742 1.00 0.00 C ATOM 261 C ILE A 21 -30.542 -11.794 -22.142 1.00 0.00 C ATOM 262 O ILE A 21 -29.832 -12.064 -23.111 1.00 0.00 O ATOM 263 CB ILE A 21 -29.203 -11.246 -20.109 1.00 0.00 C ATOM 264 CG1 ILE A 21 -28.857 -11.659 -18.677 1.00 0.00 C ATOM 265 CG2 ILE A 21 -29.817 -9.854 -20.130 1.00 0.00 C ATOM 266 CD1 ILE A 21 -27.483 -11.207 -18.233 1.00 0.00 C ATOM 0 H ILE A 21 -28.573 -13.616 -20.925 1.00 0.00 H new ATOM 0 HA ILE A 21 -31.067 -12.333 -20.130 1.00 0.00 H new ATOM 0 HB ILE A 21 -28.284 -11.225 -20.694 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -29.603 -11.246 -17.998 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -28.917 -12.744 -18.596 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -29.124 -9.144 -19.679 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -30.018 -9.561 -21.160 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -30.749 -9.859 -19.565 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -27.306 -11.535 -17.209 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -26.728 -11.641 -18.889 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -27.424 -10.120 -18.282 1.00 0.00 H new ATOM 278 N LYS A 22 -31.662 -11.086 -22.242 1.00 0.00 N ATOM 279 CA LYS A 22 -32.131 -10.572 -23.523 1.00 0.00 C ATOM 280 C LYS A 22 -31.250 -9.424 -24.004 1.00 0.00 C ATOM 281 O LYS A 22 -30.748 -9.443 -25.127 1.00 0.00 O ATOM 282 CB LYS A 22 -33.582 -10.101 -23.406 1.00 0.00 C ATOM 283 CG LYS A 22 -34.062 -9.304 -24.607 1.00 0.00 C ATOM 284 CD LYS A 22 -34.583 -10.213 -25.707 1.00 0.00 C ATOM 285 CE LYS A 22 -35.228 -9.416 -26.830 1.00 0.00 C ATOM 286 NZ LYS A 22 -36.663 -9.131 -26.555 1.00 0.00 N ATOM 0 H LYS A 22 -32.262 -10.855 -21.450 1.00 0.00 H new ATOM 0 HA LYS A 22 -32.075 -11.380 -24.253 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -34.228 -10.969 -23.275 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -33.685 -9.489 -22.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -34.850 -8.617 -24.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -33.243 -8.697 -24.993 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -33.763 -10.809 -26.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -35.310 -10.910 -25.290 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -34.691 -8.477 -26.964 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -35.140 -9.970 -27.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -37.066 -8.586 -27.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -37.181 -10.027 -26.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -36.745 -8.581 -25.676 1.00 0.00 H new ATOM 300 N ALA A 23 -31.066 -8.426 -23.146 1.00 0.00 N ATOM 301 CA ALA A 23 -30.242 -7.271 -23.483 1.00 0.00 C ATOM 302 C ALA A 23 -28.880 -7.705 -24.014 1.00 0.00 C ATOM 303 O ALA A 23 -28.330 -7.081 -24.921 1.00 0.00 O ATOM 304 CB ALA A 23 -30.075 -6.370 -22.269 1.00 0.00 C ATOM 0 H ALA A 23 -31.476 -8.394 -22.213 1.00 0.00 H new ATOM 0 HA ALA A 23 -30.748 -6.712 -24.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -29.458 -5.512 -22.535 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -31.053 -6.024 -21.935 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -29.594 -6.928 -21.465 1.00 0.00 H new ATOM 310 N ASN A 24 -28.341 -8.777 -23.442 1.00 0.00 N ATOM 311 CA ASN A 24 -27.042 -9.293 -23.858 1.00 0.00 C ATOM 312 C ASN A 24 -27.005 -9.525 -25.365 1.00 0.00 C ATOM 313 O ASN A 24 -26.206 -8.917 -26.079 1.00 0.00 O ATOM 314 CB ASN A 24 -26.729 -10.597 -23.122 1.00 0.00 C ATOM 315 CG ASN A 24 -25.996 -10.362 -21.815 1.00 0.00 C ATOM 316 OD1 ASN A 24 -26.444 -9.588 -20.970 1.00 0.00 O ATOM 317 ND2 ASN A 24 -24.862 -11.032 -21.645 1.00 0.00 N ATOM 0 H ASN A 24 -28.783 -9.305 -22.690 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.286 -8.550 -23.605 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.658 -11.131 -22.923 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -26.125 -11.237 -23.764 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -24.324 -10.915 -20.786 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.529 -11.664 -22.373 1.00 0.00 H new ATOM 324 N LEU A 25 -27.875 -10.407 -25.844 1.00 0.00 N ATOM 325 CA LEU A 25 -27.944 -10.720 -27.267 1.00 0.00 C ATOM 326 C LEU A 25 -27.805 -9.456 -28.109 1.00 0.00 C ATOM 327 O LEU A 25 -27.099 -9.444 -29.117 1.00 0.00 O ATOM 328 CB LEU A 25 -29.264 -11.420 -27.592 1.00 0.00 C ATOM 329 CG LEU A 25 -29.365 -12.051 -28.981 1.00 0.00 C ATOM 330 CD1 LEU A 25 -28.282 -13.102 -29.170 1.00 0.00 C ATOM 331 CD2 LEU A 25 -30.744 -12.660 -29.192 1.00 0.00 C ATOM 0 H LEU A 25 -28.543 -10.919 -25.267 1.00 0.00 H new ATOM 0 HA LEU A 25 -27.117 -11.388 -27.508 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -29.432 -12.199 -26.848 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -30.072 -10.696 -27.484 1.00 0.00 H new ATOM 0 HG LEU A 25 -29.218 -11.269 -29.726 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -28.370 -13.540 -30.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -27.302 -12.638 -29.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -28.397 -13.883 -28.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -30.797 -13.104 -30.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -30.921 -13.429 -28.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -31.503 -11.883 -29.101 1.00 0.00 H new ATOM 343 N ASN A 26 -28.482 -8.392 -27.688 1.00 0.00 N ATOM 344 CA ASN A 26 -28.432 -7.122 -28.403 1.00 0.00 C ATOM 345 C ASN A 26 -27.000 -6.607 -28.498 1.00 0.00 C ATOM 346 O ASN A 26 -26.520 -6.269 -29.581 1.00 0.00 O ATOM 347 CB ASN A 26 -29.314 -6.085 -27.704 1.00 0.00 C ATOM 348 CG ASN A 26 -30.690 -5.979 -28.332 1.00 0.00 C ATOM 349 OD1 ASN A 26 -30.834 -6.035 -29.554 1.00 0.00 O ATOM 350 ND2 ASN A 26 -31.711 -5.824 -27.497 1.00 0.00 N ATOM 0 H ASN A 26 -29.071 -8.384 -26.856 1.00 0.00 H new ATOM 0 HA ASN A 26 -28.807 -7.287 -29.413 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -29.417 -6.350 -26.652 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -28.825 -5.112 -27.741 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -32.661 -5.746 -27.861 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -31.546 -5.783 -26.491 1.00 0.00 H new ATOM 357 N VAL A 27 -26.320 -6.550 -27.357 1.00 0.00 N ATOM 358 CA VAL A 27 -24.941 -6.078 -27.311 1.00 0.00 C ATOM 359 C VAL A 27 -24.012 -7.022 -28.065 1.00 0.00 C ATOM 360 O VAL A 27 -23.123 -6.583 -28.796 1.00 0.00 O ATOM 361 CB VAL A 27 -24.445 -5.936 -25.860 1.00 0.00 C ATOM 362 CG1 VAL A 27 -23.440 -4.800 -25.748 1.00 0.00 C ATOM 363 CG2 VAL A 27 -25.617 -5.718 -24.915 1.00 0.00 C ATOM 0 H VAL A 27 -26.702 -6.825 -26.452 1.00 0.00 H new ATOM 0 HA VAL A 27 -24.925 -5.099 -27.790 1.00 0.00 H new ATOM 0 HB VAL A 27 -23.945 -6.861 -25.573 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -23.101 -4.715 -24.716 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.587 -5.004 -26.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.911 -3.866 -26.053 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -25.248 -5.620 -23.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -26.148 -4.809 -25.198 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -26.296 -6.569 -24.975 1.00 0.00 H new ATOM 373 N HIS A 28 -24.223 -8.322 -27.883 1.00 0.00 N ATOM 374 CA HIS A 28 -23.404 -9.330 -28.547 1.00 0.00 C ATOM 375 C HIS A 28 -23.342 -9.075 -30.050 1.00 0.00 C ATOM 376 O HIS A 28 -22.322 -9.330 -30.693 1.00 0.00 O ATOM 377 CB HIS A 28 -23.960 -10.728 -28.277 1.00 0.00 C ATOM 378 CG HIS A 28 -23.438 -11.772 -29.217 1.00 0.00 C ATOM 379 ND1 HIS A 28 -22.264 -12.462 -28.998 1.00 0.00 N ATOM 380 CD2 HIS A 28 -23.939 -12.243 -30.382 1.00 0.00 C ATOM 381 CE1 HIS A 28 -22.065 -13.311 -29.990 1.00 0.00 C ATOM 382 NE2 HIS A 28 -23.067 -13.198 -30.843 1.00 0.00 N ATOM 0 H HIS A 28 -24.954 -8.702 -27.281 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.394 -9.266 -28.143 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -23.715 -11.016 -27.255 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -25.047 -10.698 -28.348 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.646 -12.336 -28.196 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.854 -11.927 -30.860 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.225 -13.983 -30.087 1.00 0.00 H new ATOM 390 N LEU A 29 -24.439 -8.572 -30.606 1.00 0.00 N ATOM 391 CA LEU A 29 -24.511 -8.284 -32.034 1.00 0.00 C ATOM 392 C LEU A 29 -23.641 -7.083 -32.391 1.00 0.00 C ATOM 393 O LEU A 29 -23.276 -6.891 -33.551 1.00 0.00 O ATOM 394 CB LEU A 29 -25.959 -8.020 -32.449 1.00 0.00 C ATOM 395 CG LEU A 29 -26.941 -9.171 -32.226 1.00 0.00 C ATOM 396 CD1 LEU A 29 -28.341 -8.636 -31.970 1.00 0.00 C ATOM 397 CD2 LEU A 29 -26.939 -10.113 -33.421 1.00 0.00 C ATOM 0 H LEU A 29 -25.291 -8.355 -30.089 1.00 0.00 H new ATOM 0 HA LEU A 29 -24.138 -9.154 -32.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -26.320 -7.149 -31.901 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -25.971 -7.758 -33.507 1.00 0.00 H new ATOM 0 HG LEU A 29 -26.621 -9.730 -31.347 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -29.026 -9.469 -31.814 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -28.332 -8.002 -31.083 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -28.670 -8.052 -32.830 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -27.643 -10.926 -33.245 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -27.233 -9.565 -34.316 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -25.939 -10.523 -33.559 1.00 0.00 H new ATOM 409 N ARG A 30 -23.310 -6.279 -31.386 1.00 0.00 N ATOM 410 CA ARG A 30 -22.482 -5.097 -31.594 1.00 0.00 C ATOM 411 C ARG A 30 -21.138 -5.476 -32.208 1.00 0.00 C ATOM 412 O ARG A 30 -20.621 -4.776 -33.079 1.00 0.00 O ATOM 413 CB ARG A 30 -22.261 -4.363 -30.270 1.00 0.00 C ATOM 414 CG ARG A 30 -23.540 -4.129 -29.483 1.00 0.00 C ATOM 415 CD ARG A 30 -24.162 -2.782 -29.819 1.00 0.00 C ATOM 416 NE ARG A 30 -23.606 -1.704 -29.006 1.00 0.00 N ATOM 417 CZ ARG A 30 -24.057 -1.389 -27.797 1.00 0.00 C ATOM 418 NH1 ARG A 30 -25.065 -2.066 -27.264 1.00 0.00 N ATOM 419 NH2 ARG A 30 -23.500 -0.394 -27.118 1.00 0.00 N ATOM 0 H ARG A 30 -23.602 -6.424 -30.420 1.00 0.00 H new ATOM 0 HA ARG A 30 -23.004 -4.436 -32.285 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -21.567 -4.938 -29.657 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -21.787 -3.402 -30.472 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -24.253 -4.925 -29.700 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -23.325 -4.176 -28.415 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -24.000 -2.561 -30.874 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.240 -2.832 -29.666 1.00 0.00 H new ATOM 0 HE ARG A 30 -22.829 -1.164 -29.387 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.496 -2.831 -27.783 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.409 -1.822 -26.335 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.725 0.130 -27.524 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -23.847 -0.153 -26.190 1.00 0.00 H new ATOM 433 N LYS A 31 -20.576 -6.589 -31.748 1.00 0.00 N ATOM 434 CA LYS A 31 -19.292 -7.063 -32.252 1.00 0.00 C ATOM 435 C LYS A 31 -19.436 -7.629 -33.661 1.00 0.00 C ATOM 436 O LYS A 31 -18.453 -7.764 -34.390 1.00 0.00 O ATOM 437 CB LYS A 31 -18.718 -8.131 -31.318 1.00 0.00 C ATOM 438 CG LYS A 31 -19.260 -9.525 -31.582 1.00 0.00 C ATOM 439 CD LYS A 31 -18.861 -10.496 -30.483 1.00 0.00 C ATOM 440 CE LYS A 31 -19.658 -10.256 -29.210 1.00 0.00 C ATOM 441 NZ LYS A 31 -19.029 -10.911 -28.030 1.00 0.00 N ATOM 0 H LYS A 31 -20.990 -7.180 -31.027 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.608 -6.215 -32.289 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.633 -8.147 -31.421 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.936 -7.855 -30.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.347 -9.486 -31.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.887 -9.886 -32.541 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.019 -11.519 -30.825 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.797 -10.391 -30.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.740 -9.184 -29.030 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.671 -10.636 -29.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.602 -10.724 -27.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.974 -11.937 -28.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.071 -10.530 -27.891 1.00 0.00 H new ATOM 455 N HIS A 32 -20.668 -7.958 -34.039 1.00 0.00 N ATOM 456 CA HIS A 32 -20.940 -8.508 -35.362 1.00 0.00 C ATOM 457 C HIS A 32 -20.945 -7.406 -36.418 1.00 0.00 C ATOM 458 O HIS A 32 -21.370 -7.621 -37.553 1.00 0.00 O ATOM 459 CB HIS A 32 -22.282 -9.241 -35.367 1.00 0.00 C ATOM 460 CG HIS A 32 -22.172 -10.692 -35.013 1.00 0.00 C ATOM 461 ND1 HIS A 32 -21.370 -11.577 -35.703 1.00 0.00 N ATOM 462 CD2 HIS A 32 -22.768 -11.412 -34.034 1.00 0.00 C ATOM 463 CE1 HIS A 32 -21.479 -12.778 -35.165 1.00 0.00 C ATOM 464 NE2 HIS A 32 -22.321 -12.705 -34.150 1.00 0.00 N ATOM 0 H HIS A 32 -21.493 -7.853 -33.448 1.00 0.00 H new ATOM 0 HA HIS A 32 -20.147 -9.216 -35.604 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -22.956 -8.753 -34.662 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -22.733 -9.149 -36.355 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -20.784 -11.341 -36.504 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -23.465 -11.039 -33.299 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -20.967 -13.668 -35.498 1.00 0.00 H new ATOM 472 N THR A 33 -20.471 -6.224 -36.035 1.00 0.00 N ATOM 473 CA THR A 33 -20.423 -5.088 -36.947 1.00 0.00 C ATOM 474 C THR A 33 -19.714 -3.900 -36.308 1.00 0.00 C ATOM 475 O THR A 33 -19.444 -3.898 -35.107 1.00 0.00 O ATOM 476 CB THR A 33 -21.836 -4.656 -37.381 1.00 0.00 C ATOM 477 OG1 THR A 33 -21.831 -3.276 -37.764 1.00 0.00 O ATOM 478 CG2 THR A 33 -22.837 -4.871 -36.256 1.00 0.00 C ATOM 0 H THR A 33 -20.115 -6.029 -35.099 1.00 0.00 H new ATOM 0 HA THR A 33 -19.864 -5.411 -37.825 1.00 0.00 H new ATOM 0 HB THR A 33 -22.133 -5.268 -38.233 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.733 -3.010 -38.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 -23.828 -4.559 -36.586 1.00 0.00 H new ATOM 0 HG22 THR A 33 -22.860 -5.927 -35.987 1.00 0.00 H new ATOM 0 HG23 THR A 33 -22.541 -4.282 -35.388 1.00 0.00 H new ATOM 486 N GLY A 34 -19.416 -2.888 -37.118 1.00 0.00 N ATOM 487 CA GLY A 34 -18.742 -1.707 -36.612 1.00 0.00 C ATOM 488 C GLY A 34 -17.287 -1.969 -36.275 1.00 0.00 C ATOM 489 O GLY A 34 -16.682 -2.905 -36.797 1.00 0.00 O ATOM 0 H GLY A 34 -19.629 -2.865 -38.115 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.802 -0.912 -37.355 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.260 -1.351 -35.721 1.00 0.00 H new ATOM 493 N GLU A 35 -16.725 -1.140 -35.400 1.00 0.00 N ATOM 494 CA GLU A 35 -15.332 -1.287 -34.997 1.00 0.00 C ATOM 495 C GLU A 35 -15.205 -1.302 -33.476 1.00 0.00 C ATOM 496 O GLU A 35 -15.851 -0.519 -32.779 1.00 0.00 O ATOM 497 CB GLU A 35 -14.487 -0.151 -35.579 1.00 0.00 C ATOM 498 CG GLU A 35 -13.911 -0.463 -36.950 1.00 0.00 C ATOM 499 CD GLU A 35 -14.842 -0.064 -38.078 1.00 0.00 C ATOM 500 OE1 GLU A 35 -15.676 -0.900 -38.483 1.00 0.00 O ATOM 501 OE2 GLU A 35 -14.735 1.085 -38.556 1.00 0.00 O ATOM 0 H GLU A 35 -17.213 -0.361 -34.958 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.966 -2.238 -35.385 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.099 0.748 -35.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.670 0.071 -34.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.960 0.057 -37.067 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.701 -1.530 -37.017 1.00 0.00 H new ATOM 508 N LYS A 36 -14.368 -2.200 -32.967 1.00 0.00 N ATOM 509 CA LYS A 36 -14.154 -2.319 -31.530 1.00 0.00 C ATOM 510 C LYS A 36 -12.666 -2.269 -31.196 1.00 0.00 C ATOM 511 O LYS A 36 -11.956 -3.266 -31.326 1.00 0.00 O ATOM 512 CB LYS A 36 -14.760 -3.624 -31.010 1.00 0.00 C ATOM 513 CG LYS A 36 -16.277 -3.603 -30.938 1.00 0.00 C ATOM 514 CD LYS A 36 -16.795 -4.490 -29.817 1.00 0.00 C ATOM 515 CE LYS A 36 -18.248 -4.182 -29.489 1.00 0.00 C ATOM 516 NZ LYS A 36 -18.904 -5.307 -28.768 1.00 0.00 N ATOM 0 H LYS A 36 -13.826 -2.856 -33.529 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.647 -1.477 -31.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.446 -4.444 -31.657 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.360 -3.830 -30.017 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.621 -2.580 -30.782 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.692 -3.937 -31.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.700 -5.537 -30.106 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.182 -4.349 -28.927 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.299 -3.280 -28.879 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.792 -3.975 -30.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.583 -4.928 -28.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.404 -5.912 -29.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.183 -5.868 -28.271 1.00 0.00 H new ATOM 530 N PHE A 37 -12.201 -1.102 -30.763 1.00 0.00 N ATOM 531 CA PHE A 37 -10.798 -0.922 -30.409 1.00 0.00 C ATOM 532 C PHE A 37 -10.581 -1.142 -28.915 1.00 0.00 C ATOM 533 O PHE A 37 -10.813 -0.245 -28.104 1.00 0.00 O ATOM 534 CB PHE A 37 -10.326 0.479 -30.803 1.00 0.00 C ATOM 535 CG PHE A 37 -10.807 0.915 -32.158 1.00 0.00 C ATOM 536 CD1 PHE A 37 -12.071 1.460 -32.317 1.00 0.00 C ATOM 537 CD2 PHE A 37 -9.995 0.779 -33.272 1.00 0.00 C ATOM 538 CE1 PHE A 37 -12.516 1.862 -33.562 1.00 0.00 C ATOM 539 CE2 PHE A 37 -10.435 1.179 -34.520 1.00 0.00 C ATOM 540 CZ PHE A 37 -11.698 1.721 -34.665 1.00 0.00 C ATOM 0 H PHE A 37 -12.775 -0.267 -30.649 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.214 -1.662 -30.956 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.672 1.194 -30.056 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.236 0.504 -30.788 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.716 1.572 -31.458 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.007 0.356 -33.164 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.503 2.286 -33.672 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.792 1.068 -35.381 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.044 2.034 -35.639 1.00 0.00 H new ATOM 550 N ALA A 38 -10.136 -2.342 -28.558 1.00 0.00 N ATOM 551 CA ALA A 38 -9.887 -2.681 -27.162 1.00 0.00 C ATOM 552 C ALA A 38 -8.748 -1.844 -26.589 1.00 0.00 C ATOM 553 O ALA A 38 -7.844 -1.428 -27.314 1.00 0.00 O ATOM 554 CB ALA A 38 -9.574 -4.164 -27.027 1.00 0.00 C ATOM 0 H ALA A 38 -9.940 -3.096 -29.216 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.789 -2.458 -26.593 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.390 -4.403 -25.980 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.419 -4.749 -27.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.688 -4.404 -27.615 1.00 0.00 H new ATOM 560 N CYS A 39 -8.799 -1.599 -25.284 1.00 0.00 N ATOM 561 CA CYS A 39 -7.773 -0.810 -24.613 1.00 0.00 C ATOM 562 C CYS A 39 -6.480 -1.608 -24.471 1.00 0.00 C ATOM 563 O CYS A 39 -6.505 -2.804 -24.183 1.00 0.00 O ATOM 564 CB CYS A 39 -8.264 -0.364 -23.234 1.00 0.00 C ATOM 565 SG CYS A 39 -7.087 0.695 -22.333 1.00 0.00 S ATOM 0 H CYS A 39 -9.540 -1.936 -24.670 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.571 0.071 -25.222 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.204 0.174 -23.352 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.476 -1.248 -22.632 1.00 0.00 H new ATOM 570 N ASP A 40 -5.352 -0.936 -24.675 1.00 0.00 N ATOM 571 CA ASP A 40 -4.048 -1.581 -24.569 1.00 0.00 C ATOM 572 C ASP A 40 -3.553 -1.570 -23.126 1.00 0.00 C ATOM 573 O ASP A 40 -2.372 -1.802 -22.863 1.00 0.00 O ATOM 574 CB ASP A 40 -3.034 -0.881 -25.475 1.00 0.00 C ATOM 575 CG ASP A 40 -1.890 -1.791 -25.875 1.00 0.00 C ATOM 576 OD1 ASP A 40 -2.011 -2.478 -26.911 1.00 0.00 O ATOM 577 OD2 ASP A 40 -0.872 -1.816 -25.152 1.00 0.00 O ATOM 0 H ASP A 40 -5.314 0.055 -24.915 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.155 -2.617 -24.890 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.539 -0.522 -26.372 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.636 -0.006 -24.962 1.00 0.00 H new ATOM 582 N TYR A 41 -4.461 -1.298 -22.196 1.00 0.00 N ATOM 583 CA TYR A 41 -4.116 -1.253 -20.780 1.00 0.00 C ATOM 584 C TYR A 41 -4.992 -2.207 -19.975 1.00 0.00 C ATOM 585 O TYR A 41 -4.550 -2.788 -18.983 1.00 0.00 O ATOM 586 CB TYR A 41 -4.265 0.171 -20.242 1.00 0.00 C ATOM 587 CG TYR A 41 -3.381 1.179 -20.942 1.00 0.00 C ATOM 588 CD1 TYR A 41 -3.510 1.417 -22.305 1.00 0.00 C ATOM 589 CD2 TYR A 41 -2.418 1.893 -20.241 1.00 0.00 C ATOM 590 CE1 TYR A 41 -2.704 2.336 -22.949 1.00 0.00 C ATOM 591 CE2 TYR A 41 -1.609 2.815 -20.876 1.00 0.00 C ATOM 592 CZ TYR A 41 -1.755 3.032 -22.230 1.00 0.00 C ATOM 593 OH TYR A 41 -0.952 3.950 -22.867 1.00 0.00 O ATOM 0 H TYR A 41 -5.442 -1.105 -22.397 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.077 -1.567 -20.675 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.305 0.481 -20.342 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.033 0.174 -19.177 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.253 0.874 -22.871 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.300 1.724 -19.181 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.816 2.508 -24.009 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.866 3.363 -20.315 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.338 4.353 -22.218 1.00 0.00 H new ATOM 603 N CYS A 42 -6.238 -2.365 -20.410 1.00 0.00 N ATOM 604 CA CYS A 42 -7.179 -3.248 -19.732 1.00 0.00 C ATOM 605 C CYS A 42 -8.094 -3.943 -20.737 1.00 0.00 C ATOM 606 O CYS A 42 -7.930 -3.793 -21.948 1.00 0.00 O ATOM 607 CB CYS A 42 -8.017 -2.459 -18.724 1.00 0.00 C ATOM 608 SG CYS A 42 -9.080 -1.185 -19.477 1.00 0.00 S ATOM 0 H CYS A 42 -6.619 -1.892 -21.230 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.606 -4.009 -19.201 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.642 -3.154 -18.164 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.349 -1.982 -18.006 1.00 0.00 H new ATOM 613 N SER A 43 -9.058 -4.702 -20.225 1.00 0.00 N ATOM 614 CA SER A 43 -9.997 -5.422 -21.077 1.00 0.00 C ATOM 615 C SER A 43 -11.163 -4.525 -21.479 1.00 0.00 C ATOM 616 O SER A 43 -12.300 -4.983 -21.602 1.00 0.00 O ATOM 617 CB SER A 43 -10.520 -6.666 -20.357 1.00 0.00 C ATOM 618 OG SER A 43 -9.478 -7.600 -20.130 1.00 0.00 O ATOM 0 H SER A 43 -9.209 -4.834 -19.225 1.00 0.00 H new ATOM 0 HA SER A 43 -9.469 -5.729 -21.980 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.968 -6.378 -19.406 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.306 -7.131 -20.952 1.00 0.00 H new ATOM 0 HG SER A 43 -9.838 -8.385 -19.667 1.00 0.00 H new ATOM 624 N PHE A 44 -10.874 -3.245 -21.684 1.00 0.00 N ATOM 625 CA PHE A 44 -11.898 -2.281 -22.072 1.00 0.00 C ATOM 626 C PHE A 44 -12.050 -2.231 -23.589 1.00 0.00 C ATOM 627 O PHE A 44 -11.149 -2.627 -24.329 1.00 0.00 O ATOM 628 CB PHE A 44 -11.550 -0.891 -21.536 1.00 0.00 C ATOM 629 CG PHE A 44 -12.416 0.201 -22.094 1.00 0.00 C ATOM 630 CD1 PHE A 44 -13.621 0.524 -21.491 1.00 0.00 C ATOM 631 CD2 PHE A 44 -12.027 0.904 -23.223 1.00 0.00 C ATOM 632 CE1 PHE A 44 -14.421 1.528 -22.003 1.00 0.00 C ATOM 633 CE2 PHE A 44 -12.822 1.910 -23.740 1.00 0.00 C ATOM 634 CZ PHE A 44 -14.020 2.223 -23.128 1.00 0.00 C ATOM 0 H PHE A 44 -9.938 -2.850 -21.588 1.00 0.00 H new ATOM 0 HA PHE A 44 -12.846 -2.602 -21.640 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.641 -0.896 -20.450 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.508 -0.671 -21.768 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -13.939 -0.015 -20.611 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.091 0.663 -23.705 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.359 1.769 -21.524 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.507 2.450 -24.621 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.642 3.010 -23.528 1.00 0.00 H new ATOM 644 N THR A 45 -13.198 -1.740 -24.047 1.00 0.00 N ATOM 645 CA THR A 45 -13.470 -1.638 -25.475 1.00 0.00 C ATOM 646 C THR A 45 -14.390 -0.461 -25.777 1.00 0.00 C ATOM 647 O THR A 45 -15.220 -0.082 -24.950 1.00 0.00 O ATOM 648 CB THR A 45 -14.111 -2.929 -26.018 1.00 0.00 C ATOM 649 OG1 THR A 45 -15.151 -3.368 -25.136 1.00 0.00 O ATOM 650 CG2 THR A 45 -13.071 -4.029 -26.170 1.00 0.00 C ATOM 0 H THR A 45 -13.954 -1.407 -23.449 1.00 0.00 H new ATOM 0 HA THR A 45 -12.511 -1.482 -25.969 1.00 0.00 H new ATOM 0 HB THR A 45 -14.533 -2.713 -26.999 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.555 -4.188 -25.489 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.548 -4.930 -26.555 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.296 -3.704 -26.864 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.622 -4.242 -25.200 1.00 0.00 H new ATOM 658 N CYS A 46 -14.239 0.112 -26.966 1.00 0.00 N ATOM 659 CA CYS A 46 -15.057 1.247 -27.377 1.00 0.00 C ATOM 660 C CYS A 46 -15.402 1.160 -28.860 1.00 0.00 C ATOM 661 O CYS A 46 -14.662 0.568 -29.646 1.00 0.00 O ATOM 662 CB CYS A 46 -14.328 2.560 -27.086 1.00 0.00 C ATOM 663 SG CYS A 46 -15.427 3.954 -26.742 1.00 0.00 S ATOM 0 H CYS A 46 -13.558 -0.191 -27.662 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.985 1.221 -26.805 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.666 2.414 -26.233 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.698 2.810 -27.939 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.954 4.644 -25.747 1.00 0.00 H new ATOM 669 N LEU A 47 -16.530 1.753 -29.235 1.00 0.00 N ATOM 670 CA LEU A 47 -16.974 1.742 -30.625 1.00 0.00 C ATOM 671 C LEU A 47 -16.533 3.010 -31.348 1.00 0.00 C ATOM 672 O LEU A 47 -17.223 3.498 -32.243 1.00 0.00 O ATOM 673 CB LEU A 47 -18.497 1.606 -30.693 1.00 0.00 C ATOM 674 CG LEU A 47 -19.047 0.815 -31.880 1.00 0.00 C ATOM 675 CD1 LEU A 47 -18.455 1.326 -33.183 1.00 0.00 C ATOM 676 CD2 LEU A 47 -18.763 -0.670 -31.709 1.00 0.00 C ATOM 0 H LEU A 47 -17.154 2.247 -28.597 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.516 0.886 -31.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.841 1.130 -29.774 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.931 2.606 -30.716 1.00 0.00 H new ATOM 0 HG LEU A 47 -20.127 0.956 -31.916 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.858 0.751 -34.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.710 2.378 -33.311 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.371 1.216 -33.158 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.162 -1.217 -32.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.687 -0.830 -31.646 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.237 -1.028 -30.795 1.00 0.00 H new ATOM 688 N SER A 48 -15.378 3.538 -30.955 1.00 0.00 N ATOM 689 CA SER A 48 -14.845 4.751 -31.565 1.00 0.00 C ATOM 690 C SER A 48 -13.401 4.987 -31.132 1.00 0.00 C ATOM 691 O SER A 48 -13.093 5.009 -29.940 1.00 0.00 O ATOM 692 CB SER A 48 -15.706 5.958 -31.187 1.00 0.00 C ATOM 693 OG SER A 48 -16.758 6.145 -32.119 1.00 0.00 O ATOM 0 H SER A 48 -14.794 3.145 -30.217 1.00 0.00 H new ATOM 0 HA SER A 48 -14.866 4.623 -32.647 1.00 0.00 H new ATOM 0 HB2 SER A 48 -16.121 5.815 -30.189 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.086 6.854 -31.149 1.00 0.00 H new ATOM 0 HG SER A 48 -17.129 5.274 -32.373 1.00 0.00 H new ATOM 699 N LYS A 49 -12.519 5.163 -32.110 1.00 0.00 N ATOM 700 CA LYS A 49 -11.107 5.399 -31.833 1.00 0.00 C ATOM 701 C LYS A 49 -10.925 6.606 -30.919 1.00 0.00 C ATOM 702 O LYS A 49 -10.441 6.480 -29.795 1.00 0.00 O ATOM 703 CB LYS A 49 -10.339 5.614 -33.139 1.00 0.00 C ATOM 704 CG LYS A 49 -10.953 4.899 -34.331 1.00 0.00 C ATOM 705 CD LYS A 49 -9.992 4.851 -35.507 1.00 0.00 C ATOM 706 CE LYS A 49 -10.725 4.592 -36.815 1.00 0.00 C ATOM 707 NZ LYS A 49 -10.744 3.145 -37.163 1.00 0.00 N ATOM 0 H LYS A 49 -12.757 5.147 -33.102 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.711 4.519 -31.326 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.292 6.682 -33.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.313 5.270 -33.008 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.230 3.884 -34.045 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.870 5.408 -34.629 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.449 5.794 -35.573 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.252 4.068 -35.342 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.748 4.960 -36.737 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.245 5.152 -37.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.657 2.905 -37.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.975 2.939 -37.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.613 2.579 -36.301 1.00 0.00 H new ATOM 721 N GLY A 50 -11.319 7.778 -31.410 1.00 0.00 N ATOM 722 CA GLY A 50 -11.193 8.991 -30.623 1.00 0.00 C ATOM 723 C GLY A 50 -11.555 8.778 -29.167 1.00 0.00 C ATOM 724 O GLY A 50 -10.817 9.186 -28.270 1.00 0.00 O ATOM 0 H GLY A 50 -11.723 7.909 -32.338 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.169 9.359 -30.689 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.837 9.763 -31.045 1.00 0.00 H new ATOM 728 N HIS A 51 -12.697 8.140 -28.930 1.00 0.00 N ATOM 729 CA HIS A 51 -13.157 7.875 -27.571 1.00 0.00 C ATOM 730 C HIS A 51 -12.148 7.018 -26.814 1.00 0.00 C ATOM 731 O HIS A 51 -11.681 7.395 -25.738 1.00 0.00 O ATOM 732 CB HIS A 51 -14.518 7.178 -27.598 1.00 0.00 C ATOM 733 CG HIS A 51 -15.677 8.127 -27.611 1.00 0.00 C ATOM 734 ND1 HIS A 51 -16.871 7.848 -28.242 1.00 0.00 N ATOM 735 CD2 HIS A 51 -15.820 9.356 -27.063 1.00 0.00 C ATOM 736 CE1 HIS A 51 -17.698 8.866 -28.083 1.00 0.00 C ATOM 737 NE2 HIS A 51 -17.085 9.794 -27.371 1.00 0.00 N ATOM 0 H HIS A 51 -13.321 7.797 -29.661 1.00 0.00 H new ATOM 0 HA HIS A 51 -13.256 8.830 -27.054 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.572 6.539 -28.479 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.601 6.528 -26.727 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.078 9.892 -26.490 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.704 8.929 -28.470 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.486 10.690 -27.095 1.00 0.00 H new ATOM 745 N LEU A 52 -11.816 5.863 -27.381 1.00 0.00 N ATOM 746 CA LEU A 52 -10.862 4.951 -26.759 1.00 0.00 C ATOM 747 C LEU A 52 -9.662 5.713 -26.205 1.00 0.00 C ATOM 748 O LEU A 52 -9.178 5.421 -25.111 1.00 0.00 O ATOM 749 CB LEU A 52 -10.394 3.904 -27.770 1.00 0.00 C ATOM 750 CG LEU A 52 -9.136 3.121 -27.392 1.00 0.00 C ATOM 751 CD1 LEU A 52 -9.381 2.287 -26.144 1.00 0.00 C ATOM 752 CD2 LEU A 52 -8.690 2.238 -28.548 1.00 0.00 C ATOM 0 H LEU A 52 -12.193 5.536 -28.270 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.363 4.449 -25.932 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.205 3.194 -27.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.215 4.403 -28.723 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.339 3.833 -27.177 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.475 1.737 -25.890 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.652 2.942 -25.316 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.192 1.583 -26.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.794 1.688 -28.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.484 1.533 -28.795 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.472 2.859 -29.417 1.00 0.00 H new ATOM 764 N LYS A 53 -9.187 6.693 -26.967 1.00 0.00 N ATOM 765 CA LYS A 53 -8.046 7.500 -26.553 1.00 0.00 C ATOM 766 C LYS A 53 -8.318 8.180 -25.215 1.00 0.00 C ATOM 767 O LYS A 53 -7.464 8.191 -24.328 1.00 0.00 O ATOM 768 CB LYS A 53 -7.727 8.553 -27.616 1.00 0.00 C ATOM 769 CG LYS A 53 -6.806 9.655 -27.124 1.00 0.00 C ATOM 770 CD LYS A 53 -6.453 10.627 -28.238 1.00 0.00 C ATOM 771 CE LYS A 53 -7.436 11.785 -28.299 1.00 0.00 C ATOM 772 NZ LYS A 53 -8.586 11.489 -29.198 1.00 0.00 N ATOM 0 H LYS A 53 -9.575 6.947 -27.875 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.188 6.838 -26.437 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.267 8.063 -28.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.659 8.999 -27.965 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.287 10.195 -26.308 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.894 9.215 -26.721 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.445 11.012 -28.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.448 10.102 -29.193 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.805 12.001 -27.296 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.922 12.680 -28.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.557 12.126 -30.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.528 10.502 -29.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.477 11.632 -28.681 1.00 0.00 H new ATOM 786 N VAL A 54 -9.512 8.746 -25.076 1.00 0.00 N ATOM 787 CA VAL A 54 -9.897 9.426 -23.845 1.00 0.00 C ATOM 788 C VAL A 54 -9.936 8.456 -22.670 1.00 0.00 C ATOM 789 O VAL A 54 -9.483 8.776 -21.570 1.00 0.00 O ATOM 790 CB VAL A 54 -11.274 10.102 -23.984 1.00 0.00 C ATOM 791 CG1 VAL A 54 -11.687 10.750 -22.671 1.00 0.00 C ATOM 792 CG2 VAL A 54 -11.254 11.126 -25.109 1.00 0.00 C ATOM 0 H VAL A 54 -10.230 8.747 -25.801 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.143 10.190 -23.657 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.010 9.337 -24.232 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.662 11.222 -22.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.744 9.990 -21.892 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.951 11.503 -22.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.235 11.594 -25.193 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.506 11.889 -24.894 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.007 10.630 -26.048 1.00 0.00 H new ATOM 802 N HIS A 55 -10.480 7.267 -22.909 1.00 0.00 N ATOM 803 CA HIS A 55 -10.578 6.248 -21.870 1.00 0.00 C ATOM 804 C HIS A 55 -9.253 6.100 -21.128 1.00 0.00 C ATOM 805 O HIS A 55 -9.230 5.927 -19.909 1.00 0.00 O ATOM 806 CB HIS A 55 -10.986 4.906 -22.479 1.00 0.00 C ATOM 807 CG HIS A 55 -10.610 3.726 -21.637 1.00 0.00 C ATOM 808 ND1 HIS A 55 -11.373 3.286 -20.575 1.00 0.00 N ATOM 809 CD2 HIS A 55 -9.546 2.893 -21.704 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.793 2.234 -20.026 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.683 1.974 -20.693 1.00 0.00 N ATOM 0 H HIS A 55 -10.860 6.985 -23.813 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.341 6.563 -21.158 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.065 4.901 -22.636 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.521 4.805 -23.460 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -12.248 3.707 -20.263 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.739 2.942 -22.420 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.163 1.680 -19.176 1.00 0.00 H new ATOM 819 N ILE A 56 -8.153 6.169 -21.870 1.00 0.00 N ATOM 820 CA ILE A 56 -6.826 6.044 -21.282 1.00 0.00 C ATOM 821 C ILE A 56 -6.397 7.344 -20.610 1.00 0.00 C ATOM 822 O ILE A 56 -5.742 7.329 -19.569 1.00 0.00 O ATOM 823 CB ILE A 56 -5.776 5.655 -22.339 1.00 0.00 C ATOM 824 CG1 ILE A 56 -6.160 4.335 -23.010 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.398 5.551 -21.703 1.00 0.00 C ATOM 826 CD1 ILE A 56 -5.641 4.202 -24.425 1.00 0.00 C ATOM 0 H ILE A 56 -8.155 6.311 -22.880 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.886 5.254 -20.534 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.745 6.433 -23.102 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.777 3.508 -22.412 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.246 4.245 -23.020 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.667 5.275 -22.463 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.125 6.512 -21.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.414 4.791 -20.922 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.951 3.242 -24.838 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.045 5.008 -25.038 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.553 4.260 -24.420 1.00 0.00 H new ATOM 838 N GLU A 57 -6.774 8.468 -21.213 1.00 0.00 N ATOM 839 CA GLU A 57 -6.429 9.777 -20.672 1.00 0.00 C ATOM 840 C GLU A 57 -7.277 10.099 -19.445 1.00 0.00 C ATOM 841 O GLU A 57 -7.018 11.072 -18.736 1.00 0.00 O ATOM 842 CB GLU A 57 -6.619 10.860 -21.736 1.00 0.00 C ATOM 843 CG GLU A 57 -5.970 10.525 -23.069 1.00 0.00 C ATOM 844 CD GLU A 57 -4.549 11.043 -23.172 1.00 0.00 C ATOM 845 OE1 GLU A 57 -4.371 12.205 -23.593 1.00 0.00 O ATOM 846 OE2 GLU A 57 -3.615 10.286 -22.833 1.00 0.00 O ATOM 0 H GLU A 57 -7.318 8.498 -22.075 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.381 9.753 -20.372 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.686 11.022 -21.891 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.205 11.798 -21.366 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.970 9.444 -23.207 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.567 10.949 -23.876 1.00 0.00 H new ATOM 853 N ARG A 58 -8.292 9.276 -19.202 1.00 0.00 N ATOM 854 CA ARG A 58 -9.179 9.474 -18.063 1.00 0.00 C ATOM 855 C ARG A 58 -9.022 8.345 -17.048 1.00 0.00 C ATOM 856 O ARG A 58 -9.071 8.571 -15.839 1.00 0.00 O ATOM 857 CB ARG A 58 -10.634 9.555 -18.530 1.00 0.00 C ATOM 858 CG ARG A 58 -11.341 8.210 -18.558 1.00 0.00 C ATOM 859 CD ARG A 58 -12.689 8.303 -19.255 1.00 0.00 C ATOM 860 NE ARG A 58 -13.769 8.604 -18.320 1.00 0.00 N ATOM 861 CZ ARG A 58 -14.937 9.120 -18.687 1.00 0.00 C ATOM 862 NH1 ARG A 58 -15.174 9.390 -19.964 1.00 0.00 N ATOM 863 NH2 ARG A 58 -15.871 9.366 -17.777 1.00 0.00 N ATOM 0 H ARG A 58 -8.520 8.466 -19.779 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.906 10.413 -17.582 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.181 10.230 -17.871 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.662 9.992 -19.528 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.715 7.479 -19.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.481 7.850 -17.539 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.648 9.076 -20.022 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.901 7.362 -19.762 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.619 8.407 -17.331 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.459 9.201 -20.666 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.071 9.786 -20.243 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.693 9.159 -16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.767 9.762 -18.060 1.00 0.00 H new ATOM 877 N VAL A 59 -8.834 7.128 -17.550 1.00 0.00 N ATOM 878 CA VAL A 59 -8.670 5.963 -16.688 1.00 0.00 C ATOM 879 C VAL A 59 -7.197 5.705 -16.390 1.00 0.00 C ATOM 880 O VAL A 59 -6.764 5.775 -15.239 1.00 0.00 O ATOM 881 CB VAL A 59 -9.282 4.702 -17.326 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.059 3.490 -16.434 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.765 4.909 -17.596 1.00 0.00 C ATOM 0 H VAL A 59 -8.792 6.924 -18.548 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.194 6.180 -15.757 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.784 4.519 -18.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.498 2.609 -16.901 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.989 3.332 -16.295 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.529 3.660 -15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.182 4.008 -18.047 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.280 5.117 -16.658 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.897 5.750 -18.277 1.00 0.00 H new ATOM 893 N HIS A 60 -6.431 5.405 -17.434 1.00 0.00 N ATOM 894 CA HIS A 60 -5.005 5.136 -17.284 1.00 0.00 C ATOM 895 C HIS A 60 -4.192 6.418 -17.432 1.00 0.00 C ATOM 896 O HIS A 60 -3.102 6.413 -18.003 1.00 0.00 O ATOM 897 CB HIS A 60 -4.548 4.106 -18.317 1.00 0.00 C ATOM 898 CG HIS A 60 -5.414 2.886 -18.371 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.350 1.875 -17.435 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.370 2.517 -19.256 1.00 0.00 C ATOM 901 CE1 HIS A 60 -6.227 0.937 -17.743 1.00 0.00 C ATOM 902 NE2 HIS A 60 -6.860 1.303 -18.843 1.00 0.00 N ATOM 0 H HIS A 60 -6.774 5.342 -18.393 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.839 4.735 -16.284 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.532 4.574 -19.301 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.525 3.805 -18.090 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.723 1.855 -16.631 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.688 3.074 -20.125 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.398 0.025 -17.190 1.00 0.00 H new ATOM 910 N LYS A 61 -4.731 7.517 -16.914 1.00 0.00 N ATOM 911 CA LYS A 61 -4.056 8.808 -16.988 1.00 0.00 C ATOM 912 C LYS A 61 -2.958 8.908 -15.934 1.00 0.00 C ATOM 913 O LYS A 61 -3.161 8.551 -14.774 1.00 0.00 O ATOM 914 CB LYS A 61 -5.064 9.945 -16.799 1.00 0.00 C ATOM 915 CG LYS A 61 -4.543 11.300 -17.246 1.00 0.00 C ATOM 916 CD LYS A 61 -3.734 11.975 -16.151 1.00 0.00 C ATOM 917 CE LYS A 61 -4.634 12.683 -15.150 1.00 0.00 C ATOM 918 NZ LYS A 61 -3.894 13.718 -14.375 1.00 0.00 N ATOM 0 H LYS A 61 -5.633 7.539 -16.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.599 8.896 -17.974 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.971 9.712 -17.357 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.343 10.001 -15.747 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.924 11.178 -18.134 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.381 11.938 -17.527 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.127 11.231 -15.634 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.046 12.694 -16.596 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.467 13.150 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.061 11.951 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.537 14.500 -14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.523 13.297 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.104 14.081 -14.946 1.00 0.00 H new ATOM 932 N LYS A 62 -1.793 9.398 -16.346 1.00 0.00 N ATOM 933 CA LYS A 62 -0.662 9.549 -15.438 1.00 0.00 C ATOM 934 C LYS A 62 -0.220 8.195 -14.890 1.00 0.00 C ATOM 935 O LYS A 62 -0.151 7.999 -13.676 1.00 0.00 O ATOM 936 CB LYS A 62 -1.030 10.483 -14.283 1.00 0.00 C ATOM 937 CG LYS A 62 -0.756 11.948 -14.575 1.00 0.00 C ATOM 938 CD LYS A 62 -0.881 12.799 -13.322 1.00 0.00 C ATOM 939 CE LYS A 62 0.419 12.821 -12.532 1.00 0.00 C ATOM 940 NZ LYS A 62 0.484 11.713 -11.540 1.00 0.00 N ATOM 0 H LYS A 62 -1.608 9.697 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 62 0.166 9.983 -15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.087 10.359 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.471 10.187 -13.395 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.246 12.056 -14.991 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.455 12.306 -15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.158 13.817 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.683 12.410 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.262 12.744 -13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.514 13.776 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.999 12.033 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.480 11.431 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.979 10.900 -11.960 1.00 0.00 H new ATOM 954 N ILE A 63 0.079 7.266 -15.792 1.00 0.00 N ATOM 955 CA ILE A 63 0.516 5.933 -15.398 1.00 0.00 C ATOM 956 C ILE A 63 2.020 5.767 -15.593 1.00 0.00 C ATOM 957 O ILE A 63 2.578 6.203 -16.601 1.00 0.00 O ATOM 958 CB ILE A 63 -0.218 4.840 -16.197 1.00 0.00 C ATOM 959 CG1 ILE A 63 0.165 3.453 -15.677 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.103 4.963 -17.679 1.00 0.00 C ATOM 961 CD1 ILE A 63 -0.739 2.349 -16.179 1.00 0.00 C ATOM 0 H ILE A 63 0.027 7.412 -16.800 1.00 0.00 H new ATOM 0 HA ILE A 63 0.275 5.822 -14.341 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.292 4.973 -16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.191 3.234 -15.972 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.142 3.463 -14.587 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.423 4.184 -18.231 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.215 5.941 -18.040 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.177 4.852 -17.829 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.408 1.394 -15.770 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.763 2.545 -15.861 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.698 2.312 -17.268 1.00 0.00 H new ATOM 973 N LYS A 64 2.671 5.133 -14.624 1.00 0.00 N ATOM 974 CA LYS A 64 4.109 4.906 -14.690 1.00 0.00 C ATOM 975 C LYS A 64 4.504 4.298 -16.032 1.00 0.00 C ATOM 976 O LYS A 64 3.656 4.077 -16.896 1.00 0.00 O ATOM 977 CB LYS A 64 4.554 3.986 -13.551 1.00 0.00 C ATOM 978 CG LYS A 64 4.036 2.564 -13.681 1.00 0.00 C ATOM 979 CD LYS A 64 4.472 1.702 -12.508 1.00 0.00 C ATOM 980 CE LYS A 64 4.023 0.259 -12.679 1.00 0.00 C ATOM 981 NZ LYS A 64 4.455 -0.596 -11.539 1.00 0.00 N ATOM 0 H LYS A 64 2.225 4.767 -13.783 1.00 0.00 H new ATOM 0 HA LYS A 64 4.608 5.870 -14.587 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.643 3.965 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.213 4.403 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.948 2.576 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.401 2.127 -14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.557 1.738 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.058 2.106 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.937 0.225 -12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.431 -0.141 -13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.129 -1.572 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.493 -0.584 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.045 -0.230 -10.656 1.00 0.00 H new ATOM 995 N GLN A 65 5.795 4.030 -16.198 1.00 0.00 N ATOM 996 CA GLN A 65 6.300 3.447 -17.436 1.00 0.00 C ATOM 997 C GLN A 65 7.491 2.535 -17.161 1.00 0.00 C ATOM 998 O GLN A 65 8.248 2.754 -16.215 1.00 0.00 O ATOM 999 CB GLN A 65 6.701 4.549 -18.417 1.00 0.00 C ATOM 1000 CG GLN A 65 5.517 5.279 -19.030 1.00 0.00 C ATOM 1001 CD GLN A 65 5.825 5.839 -20.405 1.00 0.00 C ATOM 1002 OE1 GLN A 65 6.975 5.841 -20.844 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.795 6.317 -21.093 1.00 0.00 N ATOM 0 H GLN A 65 6.510 4.207 -15.492 1.00 0.00 H new ATOM 0 HA GLN A 65 5.503 2.850 -17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.334 5.271 -17.901 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.301 4.112 -19.215 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.671 4.595 -19.101 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.215 6.092 -18.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.858 6.295 -20.690 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.940 6.706 -22.025 1.00 0.00 H new ATOM 1012 N HIS A 66 7.651 1.512 -17.994 1.00 0.00 N ATOM 1013 CA HIS A 66 8.751 0.566 -17.841 1.00 0.00 C ATOM 1014 C HIS A 66 9.650 0.575 -19.074 1.00 0.00 C ATOM 1015 O HIS A 66 9.220 0.219 -20.172 1.00 0.00 O ATOM 1016 CB HIS A 66 8.211 -0.843 -17.600 1.00 0.00 C ATOM 1017 CG HIS A 66 7.774 -1.540 -18.852 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.498 -1.438 -19.365 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.454 -2.351 -19.696 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.411 -2.158 -20.469 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.584 -2.722 -20.693 1.00 0.00 N ATOM 0 H HIS A 66 7.033 1.317 -18.782 1.00 0.00 H new ATOM 0 HA HIS A 66 9.343 0.872 -16.978 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.982 -1.440 -17.112 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.367 -0.787 -16.912 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.487 -2.651 -19.603 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.530 -2.267 -21.084 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.808 -3.333 -21.478 1.00 0.00 H new ATOM 1029 N CYS A 67 10.901 0.983 -18.886 1.00 0.00 N ATOM 1030 CA CYS A 67 11.861 1.039 -19.982 1.00 0.00 C ATOM 1031 C CYS A 67 11.861 -0.266 -20.772 1.00 0.00 C ATOM 1032 O CYS A 67 11.471 -1.315 -20.259 1.00 0.00 O ATOM 1033 CB CYS A 67 13.265 1.323 -19.444 1.00 0.00 C ATOM 1034 SG CYS A 67 14.430 1.944 -20.698 1.00 0.00 S ATOM 0 H CYS A 67 11.274 1.280 -17.984 1.00 0.00 H new ATOM 0 HA CYS A 67 11.565 1.848 -20.650 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.193 2.053 -18.638 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.668 0.408 -19.010 1.00 0.00 H new ATOM 1039 N ARG A 68 12.302 -0.193 -22.024 1.00 0.00 N ATOM 1040 CA ARG A 68 12.352 -1.368 -22.886 1.00 0.00 C ATOM 1041 C ARG A 68 13.776 -1.909 -22.985 1.00 0.00 C ATOM 1042 O ARG A 68 14.008 -2.972 -23.560 1.00 0.00 O ATOM 1043 CB ARG A 68 11.827 -1.026 -24.281 1.00 0.00 C ATOM 1044 CG ARG A 68 12.109 -2.101 -25.318 1.00 0.00 C ATOM 1045 CD ARG A 68 13.388 -1.809 -26.088 1.00 0.00 C ATOM 1046 NE ARG A 68 14.037 -3.032 -26.553 1.00 0.00 N ATOM 1047 CZ ARG A 68 14.819 -3.086 -27.626 1.00 0.00 C ATOM 1048 NH1 ARG A 68 15.048 -1.993 -28.340 1.00 0.00 N ATOM 1049 NH2 ARG A 68 15.375 -4.236 -27.986 1.00 0.00 N ATOM 0 H ARG A 68 12.630 0.667 -22.464 1.00 0.00 H new ATOM 0 HA ARG A 68 11.719 -2.138 -22.446 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.751 -0.861 -24.225 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.277 -0.089 -24.610 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.192 -3.070 -24.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.272 -2.167 -26.013 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.159 -1.172 -26.943 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.076 -1.253 -25.451 1.00 0.00 H new ATOM 0 HE ARG A 68 13.882 -3.891 -26.026 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.623 -1.107 -28.066 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.649 -2.038 -29.163 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.202 -5.079 -27.439 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.975 -4.277 -28.810 1.00 0.00 H new ATOM 1063 N PHE A 69 14.725 -1.169 -22.420 1.00 0.00 N ATOM 1064 CA PHE A 69 16.126 -1.574 -22.446 1.00 0.00 C ATOM 1065 C PHE A 69 16.534 -2.206 -21.119 1.00 0.00 C ATOM 1066 O PHE A 69 16.973 -3.356 -21.075 1.00 0.00 O ATOM 1067 CB PHE A 69 17.020 -0.370 -22.747 1.00 0.00 C ATOM 1068 CG PHE A 69 16.504 0.498 -23.859 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.113 -0.060 -25.066 1.00 0.00 C ATOM 1070 CD2 PHE A 69 16.410 1.871 -23.698 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.639 0.737 -26.091 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.935 2.672 -24.719 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.548 2.104 -25.917 1.00 0.00 C ATOM 0 H PHE A 69 14.550 -0.287 -21.939 1.00 0.00 H new ATOM 0 HA PHE A 69 16.250 -2.316 -23.234 1.00 0.00 H new ATOM 0 HB2 PHE A 69 17.121 0.232 -21.844 1.00 0.00 H new ATOM 0 HB3 PHE A 69 18.018 -0.724 -23.007 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.179 -1.129 -25.207 1.00 0.00 H new ATOM 0 HD2 PHE A 69 16.712 2.321 -22.763 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.340 0.291 -27.028 1.00 0.00 H new ATOM 0 HE2 PHE A 69 15.866 3.741 -24.580 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.175 2.728 -26.716 1.00 0.00 H new ATOM 1083 N CYS A 70 16.386 -1.447 -20.039 1.00 0.00 N ATOM 1084 CA CYS A 70 16.740 -1.930 -18.709 1.00 0.00 C ATOM 1085 C CYS A 70 15.493 -2.330 -17.926 1.00 0.00 C ATOM 1086 O CYS A 70 15.534 -2.481 -16.705 1.00 0.00 O ATOM 1087 CB CYS A 70 17.515 -0.857 -17.943 1.00 0.00 C ATOM 1088 SG CYS A 70 16.597 0.700 -17.711 1.00 0.00 S ATOM 0 H CYS A 70 16.023 -0.494 -20.058 1.00 0.00 H new ATOM 0 HA CYS A 70 17.372 -2.810 -18.826 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.792 -1.252 -16.966 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.442 -0.644 -18.475 1.00 0.00 H new ATOM 1093 N LYS A 71 14.383 -2.499 -18.638 1.00 0.00 N ATOM 1094 CA LYS A 71 13.124 -2.883 -18.012 1.00 0.00 C ATOM 1095 C LYS A 71 12.980 -2.235 -16.638 1.00 0.00 C ATOM 1096 O LYS A 71 12.595 -2.890 -15.669 1.00 0.00 O ATOM 1097 CB LYS A 71 13.038 -4.405 -17.881 1.00 0.00 C ATOM 1098 CG LYS A 71 12.384 -5.082 -19.074 1.00 0.00 C ATOM 1099 CD LYS A 71 12.886 -6.504 -19.252 1.00 0.00 C ATOM 1100 CE LYS A 71 12.034 -7.498 -18.477 1.00 0.00 C ATOM 1101 NZ LYS A 71 12.175 -8.882 -19.008 1.00 0.00 N ATOM 0 H LYS A 71 14.331 -2.376 -19.649 1.00 0.00 H new ATOM 0 HA LYS A 71 12.310 -2.533 -18.647 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.043 -4.808 -17.751 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.476 -4.653 -16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.302 -5.091 -18.940 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.589 -4.507 -19.977 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.878 -6.764 -20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.921 -6.570 -18.916 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.322 -7.481 -17.426 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.988 -7.195 -18.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.579 -9.529 -18.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.876 -8.904 -20.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.169 -9.181 -18.938 1.00 0.00 H new ATOM 1115 N LYS A 72 13.289 -0.945 -16.562 1.00 0.00 N ATOM 1116 CA LYS A 72 13.191 -0.208 -15.308 1.00 0.00 C ATOM 1117 C LYS A 72 11.913 0.624 -15.264 1.00 0.00 C ATOM 1118 O LYS A 72 11.652 1.428 -16.159 1.00 0.00 O ATOM 1119 CB LYS A 72 14.410 0.701 -15.131 1.00 0.00 C ATOM 1120 CG LYS A 72 14.645 1.129 -13.692 1.00 0.00 C ATOM 1121 CD LYS A 72 16.020 1.750 -13.514 1.00 0.00 C ATOM 1122 CE LYS A 72 17.101 0.687 -13.391 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.415 1.170 -13.900 1.00 0.00 N ATOM 0 H LYS A 72 13.609 -0.388 -17.354 1.00 0.00 H new ATOM 0 HA LYS A 72 13.162 -0.930 -14.492 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.296 0.182 -15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.283 1.589 -15.750 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.880 1.846 -13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.546 0.266 -13.034 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.240 2.398 -14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.024 2.379 -12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.203 0.392 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.801 -0.202 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.125 0.417 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.325 1.428 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.714 2.003 -13.354 1.00 0.00 H new ATOM 1137 N LYS A 73 11.120 0.427 -14.216 1.00 0.00 N ATOM 1138 CA LYS A 73 9.871 1.160 -14.053 1.00 0.00 C ATOM 1139 C LYS A 73 10.129 2.560 -13.504 1.00 0.00 C ATOM 1140 O LYS A 73 11.081 2.778 -12.755 1.00 0.00 O ATOM 1141 CB LYS A 73 8.928 0.400 -13.117 1.00 0.00 C ATOM 1142 CG LYS A 73 8.206 -0.755 -13.788 1.00 0.00 C ATOM 1143 CD LYS A 73 9.042 -2.024 -13.765 1.00 0.00 C ATOM 1144 CE LYS A 73 9.130 -2.608 -12.363 1.00 0.00 C ATOM 1145 NZ LYS A 73 9.866 -3.902 -12.346 1.00 0.00 N ATOM 0 H LYS A 73 11.321 -0.235 -13.466 1.00 0.00 H new ATOM 0 HA LYS A 73 9.403 1.253 -15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.499 0.018 -12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.190 1.095 -12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.257 -0.934 -13.283 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.973 -0.490 -14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.606 -2.760 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.045 -1.807 -14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.630 -1.897 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.125 -2.757 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.904 -4.267 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.376 -4.588 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.833 -3.756 -12.699 1.00 0.00 H new ATOM 1159 N TYR A 74 9.275 3.505 -13.881 1.00 0.00 N ATOM 1160 CA TYR A 74 9.411 4.884 -13.428 1.00 0.00 C ATOM 1161 C TYR A 74 8.054 5.471 -13.054 1.00 0.00 C ATOM 1162 O TYR A 74 7.180 5.635 -13.905 1.00 0.00 O ATOM 1163 CB TYR A 74 10.067 5.738 -14.514 1.00 0.00 C ATOM 1164 CG TYR A 74 11.571 5.592 -14.573 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.159 4.529 -15.248 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.403 6.516 -13.954 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.533 4.391 -15.304 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.778 6.387 -14.007 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.338 5.322 -14.682 1.00 0.00 C ATOM 1170 OH TYR A 74 15.706 5.190 -14.735 1.00 0.00 O ATOM 0 H TYR A 74 8.481 3.341 -14.500 1.00 0.00 H new ATOM 0 HA TYR A 74 10.045 4.887 -12.541 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.646 5.466 -15.482 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.819 6.785 -14.341 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.532 3.798 -15.737 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.968 7.349 -13.422 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.974 3.558 -15.832 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.411 7.116 -13.523 1.00 0.00 H new ATOM 0 HH TYR A 74 16.125 5.930 -14.248 1.00 0.00 H new ATOM 1180 N SER A 75 7.885 5.788 -11.774 1.00 0.00 N ATOM 1181 CA SER A 75 6.634 6.354 -11.285 1.00 0.00 C ATOM 1182 C SER A 75 6.006 7.270 -12.332 1.00 0.00 C ATOM 1183 O SER A 75 4.830 7.131 -12.668 1.00 0.00 O ATOM 1184 CB SER A 75 6.874 7.132 -9.989 1.00 0.00 C ATOM 1185 OG SER A 75 7.634 8.303 -10.230 1.00 0.00 O ATOM 0 H SER A 75 8.599 5.662 -11.057 1.00 0.00 H new ATOM 0 HA SER A 75 5.946 5.533 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.918 7.401 -9.541 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.395 6.498 -9.272 1.00 0.00 H new ATOM 0 HG SER A 75 7.772 8.783 -9.387 1.00 0.00 H new ATOM 1191 N ASP A 76 6.800 8.204 -12.843 1.00 0.00 N ATOM 1192 CA ASP A 76 6.324 9.143 -13.852 1.00 0.00 C ATOM 1193 C ASP A 76 7.135 9.016 -15.138 1.00 0.00 C ATOM 1194 O ASP A 76 8.360 8.895 -15.102 1.00 0.00 O ATOM 1195 CB ASP A 76 6.403 10.576 -13.325 1.00 0.00 C ATOM 1196 CG ASP A 76 5.400 10.842 -12.218 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.198 10.578 -12.430 1.00 0.00 O ATOM 1198 OD2 ASP A 76 5.819 11.313 -11.140 1.00 0.00 O ATOM 0 H ASP A 76 7.776 8.331 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 76 5.284 8.903 -14.073 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.409 10.768 -12.953 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.228 11.272 -14.145 1.00 0.00 H new ATOM 1203 N VAL A 77 6.444 9.043 -16.273 1.00 0.00 N ATOM 1204 CA VAL A 77 7.100 8.930 -17.571 1.00 0.00 C ATOM 1205 C VAL A 77 8.084 10.073 -17.789 1.00 0.00 C ATOM 1206 O VAL A 77 9.174 9.875 -18.327 1.00 0.00 O ATOM 1207 CB VAL A 77 6.074 8.924 -18.719 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.230 10.190 -18.689 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.777 8.775 -20.060 1.00 0.00 C ATOM 0 H VAL A 77 5.430 9.142 -16.320 1.00 0.00 H new ATOM 0 HA VAL A 77 7.641 7.983 -17.572 1.00 0.00 H new ATOM 0 HB VAL A 77 5.410 8.070 -18.585 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.511 10.167 -19.508 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.697 10.250 -17.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.876 11.061 -18.798 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.037 8.773 -20.860 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.465 9.608 -20.205 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.333 7.838 -20.077 1.00 0.00 H new ATOM 1219 N LYS A 78 7.695 11.272 -17.368 1.00 0.00 N ATOM 1220 CA LYS A 78 8.543 12.448 -17.515 1.00 0.00 C ATOM 1221 C LYS A 78 10.003 12.105 -17.236 1.00 0.00 C ATOM 1222 O LYS A 78 10.884 12.401 -18.042 1.00 0.00 O ATOM 1223 CB LYS A 78 8.079 13.558 -16.568 1.00 0.00 C ATOM 1224 CG LYS A 78 6.888 14.344 -17.089 1.00 0.00 C ATOM 1225 CD LYS A 78 6.525 15.488 -16.158 1.00 0.00 C ATOM 1226 CE LYS A 78 5.548 16.452 -16.815 1.00 0.00 C ATOM 1227 NZ LYS A 78 6.150 17.136 -17.992 1.00 0.00 N ATOM 0 H LYS A 78 6.796 11.454 -16.922 1.00 0.00 H new ATOM 0 HA LYS A 78 8.461 12.798 -18.544 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.820 13.118 -15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.908 14.244 -16.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.116 14.738 -18.079 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.032 13.678 -17.200 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.085 15.089 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.429 16.025 -15.869 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.657 15.908 -17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.228 17.197 -16.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.623 18.010 -18.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.143 17.370 -17.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.106 16.507 -18.819 1.00 0.00 H new ATOM 1241 N ASN A 79 10.250 11.478 -16.091 1.00 0.00 N ATOM 1242 CA ASN A 79 11.604 11.094 -15.707 1.00 0.00 C ATOM 1243 C ASN A 79 12.175 10.068 -16.681 1.00 0.00 C ATOM 1244 O ASN A 79 13.293 10.218 -17.174 1.00 0.00 O ATOM 1245 CB ASN A 79 11.611 10.525 -14.287 1.00 0.00 C ATOM 1246 CG ASN A 79 10.878 11.416 -13.303 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.002 12.640 -13.346 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.110 10.804 -12.409 1.00 0.00 N ATOM 0 H ASN A 79 9.531 11.225 -15.413 1.00 0.00 H new ATOM 0 HA ASN A 79 12.231 11.985 -15.737 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.150 9.537 -14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.641 10.394 -13.956 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.593 11.351 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.037 9.787 -12.411 1.00 0.00 H new ATOM 1255 N LEU A 80 11.399 9.024 -16.955 1.00 0.00 N ATOM 1256 CA LEU A 80 11.826 7.973 -17.871 1.00 0.00 C ATOM 1257 C LEU A 80 12.442 8.567 -19.133 1.00 0.00 C ATOM 1258 O LEU A 80 13.456 8.077 -19.632 1.00 0.00 O ATOM 1259 CB LEU A 80 10.642 7.078 -18.239 1.00 0.00 C ATOM 1260 CG LEU A 80 10.930 5.964 -19.246 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.797 4.885 -18.615 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.631 5.368 -19.768 1.00 0.00 C ATOM 0 H LEU A 80 10.471 8.884 -16.555 1.00 0.00 H new ATOM 0 HA LEU A 80 12.584 7.373 -17.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.258 6.624 -17.326 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.848 7.707 -18.641 1.00 0.00 H new ATOM 0 HG LEU A 80 11.474 6.393 -20.087 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.992 4.101 -19.346 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.742 5.321 -18.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.280 4.459 -17.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.855 4.577 -20.483 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.061 4.954 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.045 6.145 -20.259 1.00 0.00 H new ATOM 1274 N ILE A 81 11.823 9.626 -19.645 1.00 0.00 N ATOM 1275 CA ILE A 81 12.312 10.289 -20.847 1.00 0.00 C ATOM 1276 C ILE A 81 13.775 10.693 -20.695 1.00 0.00 C ATOM 1277 O ILE A 81 14.620 10.326 -21.512 1.00 0.00 O ATOM 1278 CB ILE A 81 11.477 11.540 -21.179 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.995 11.177 -21.286 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.967 12.176 -22.472 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.665 10.333 -22.498 1.00 0.00 C ATOM 0 H ILE A 81 10.982 10.043 -19.246 1.00 0.00 H new ATOM 0 HA ILE A 81 12.218 9.573 -21.663 1.00 0.00 H new ATOM 0 HB ILE A 81 11.597 12.264 -20.373 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.695 10.639 -20.386 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.406 12.094 -21.321 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.367 13.059 -22.693 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.012 12.466 -22.362 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.873 11.460 -23.288 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.597 10.114 -22.509 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.933 10.877 -23.404 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.226 9.400 -22.455 1.00 0.00 H new ATOM 1293 N LYS A 82 14.067 11.452 -19.644 1.00 0.00 N ATOM 1294 CA LYS A 82 15.428 11.905 -19.382 1.00 0.00 C ATOM 1295 C LYS A 82 16.358 10.720 -19.135 1.00 0.00 C ATOM 1296 O LYS A 82 17.525 10.742 -19.528 1.00 0.00 O ATOM 1297 CB LYS A 82 15.451 12.845 -18.175 1.00 0.00 C ATOM 1298 CG LYS A 82 16.615 13.821 -18.186 1.00 0.00 C ATOM 1299 CD LYS A 82 16.664 14.645 -16.911 1.00 0.00 C ATOM 1300 CE LYS A 82 15.805 15.895 -17.022 1.00 0.00 C ATOM 1301 NZ LYS A 82 14.376 15.616 -16.710 1.00 0.00 N ATOM 0 H LYS A 82 13.379 11.766 -18.960 1.00 0.00 H new ATOM 0 HA LYS A 82 15.781 12.444 -20.261 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.517 13.407 -18.145 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.495 12.250 -17.263 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.550 13.272 -18.302 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.526 14.485 -19.046 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.321 14.040 -16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.695 14.928 -16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.183 16.657 -16.341 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.884 16.301 -18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.974 16.416 -16.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.847 15.485 -17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.308 14.752 -16.135 1.00 0.00 H new ATOM 1315 N HIS A 83 15.833 9.688 -18.483 1.00 0.00 N ATOM 1316 CA HIS A 83 16.615 8.493 -18.186 1.00 0.00 C ATOM 1317 C HIS A 83 17.148 7.860 -19.468 1.00 0.00 C ATOM 1318 O HIS A 83 18.282 7.382 -19.511 1.00 0.00 O ATOM 1319 CB HIS A 83 15.767 7.480 -17.417 1.00 0.00 C ATOM 1320 CG HIS A 83 16.169 6.057 -17.657 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.291 5.487 -17.094 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.590 5.088 -18.404 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.386 4.229 -17.484 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.366 3.961 -18.280 1.00 0.00 N ATOM 0 H HIS A 83 14.869 9.655 -18.150 1.00 0.00 H new ATOM 0 HA HIS A 83 17.463 8.788 -17.568 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.838 7.694 -16.351 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.721 7.606 -17.698 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.946 5.963 -16.473 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.687 5.183 -18.988 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.165 3.537 -17.201 1.00 0.00 H new ATOM 1332 N ILE A 84 16.322 7.859 -20.509 1.00 0.00 N ATOM 1333 CA ILE A 84 16.711 7.285 -21.791 1.00 0.00 C ATOM 1334 C ILE A 84 17.720 8.175 -22.509 1.00 0.00 C ATOM 1335 O ILE A 84 18.779 7.712 -22.934 1.00 0.00 O ATOM 1336 CB ILE A 84 15.490 7.072 -22.706 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.613 5.941 -22.166 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.940 6.768 -24.127 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.250 5.868 -22.819 1.00 0.00 C ATOM 0 H ILE A 84 15.380 8.249 -20.490 1.00 0.00 H new ATOM 0 HA ILE A 84 17.169 6.319 -21.578 1.00 0.00 H new ATOM 0 HB ILE A 84 14.901 7.989 -22.721 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.128 4.992 -22.312 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.485 6.073 -21.092 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.066 6.620 -24.762 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.528 7.602 -24.509 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.548 5.864 -24.130 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.683 5.043 -22.387 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.715 6.803 -22.651 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.368 5.705 -23.890 1.00 0.00 H new ATOM 1351 N ARG A 85 17.385 9.455 -22.639 1.00 0.00 N ATOM 1352 CA ARG A 85 18.263 10.410 -23.305 1.00 0.00 C ATOM 1353 C ARG A 85 19.597 10.523 -22.574 1.00 0.00 C ATOM 1354 O ARG A 85 20.597 10.955 -23.149 1.00 0.00 O ATOM 1355 CB ARG A 85 17.592 11.783 -23.380 1.00 0.00 C ATOM 1356 CG ARG A 85 16.198 11.748 -23.984 1.00 0.00 C ATOM 1357 CD ARG A 85 15.850 13.064 -24.661 1.00 0.00 C ATOM 1358 NE ARG A 85 14.418 13.345 -24.609 1.00 0.00 N ATOM 1359 CZ ARG A 85 13.888 14.522 -24.925 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.668 15.520 -25.316 1.00 0.00 N ATOM 1361 NH2 ARG A 85 12.576 14.701 -24.852 1.00 0.00 N ATOM 0 H ARG A 85 16.513 9.854 -22.292 1.00 0.00 H new ATOM 0 HA ARG A 85 18.452 10.049 -24.316 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.533 12.204 -22.377 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.218 12.452 -23.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.135 10.937 -24.709 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.468 11.535 -23.203 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.396 13.875 -24.179 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.176 13.034 -25.701 1.00 0.00 H new ATOM 0 HE ARG A 85 13.790 12.597 -24.314 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.677 15.385 -25.375 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.259 16.422 -25.558 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.973 13.935 -24.553 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.170 15.605 -25.095 1.00 0.00 H new ATOM 1375 N ASP A 86 19.605 10.134 -21.304 1.00 0.00 N ATOM 1376 CA ASP A 86 20.817 10.191 -20.494 1.00 0.00 C ATOM 1377 C ASP A 86 21.512 8.834 -20.460 1.00 0.00 C ATOM 1378 O ASP A 86 22.622 8.681 -20.969 1.00 0.00 O ATOM 1379 CB ASP A 86 20.484 10.643 -19.071 1.00 0.00 C ATOM 1380 CG ASP A 86 20.393 12.152 -18.950 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.972 12.852 -19.806 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.742 12.631 -17.998 1.00 0.00 O ATOM 0 H ASP A 86 18.786 9.776 -20.813 1.00 0.00 H new ATOM 0 HA ASP A 86 21.494 10.915 -20.948 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.537 10.199 -18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.247 10.272 -18.387 1.00 0.00 H new ATOM 1387 N ALA A 87 20.852 7.851 -19.856 1.00 0.00 N ATOM 1388 CA ALA A 87 21.406 6.506 -19.757 1.00 0.00 C ATOM 1389 C ALA A 87 21.516 5.855 -21.131 1.00 0.00 C ATOM 1390 O ALA A 87 22.577 5.359 -21.511 1.00 0.00 O ATOM 1391 CB ALA A 87 20.553 5.651 -18.832 1.00 0.00 C ATOM 0 H ALA A 87 19.933 7.961 -19.428 1.00 0.00 H new ATOM 0 HA ALA A 87 22.410 6.583 -19.339 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.978 4.649 -18.767 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.530 6.100 -17.839 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.538 5.590 -19.226 1.00 0.00 H new ATOM 1397 N HIS A 88 20.412 5.859 -21.873 1.00 0.00 N ATOM 1398 CA HIS A 88 20.385 5.267 -23.206 1.00 0.00 C ATOM 1399 C HIS A 88 20.444 6.348 -24.281 1.00 0.00 C ATOM 1400 O HIS A 88 19.742 6.274 -25.289 1.00 0.00 O ATOM 1401 CB HIS A 88 19.125 4.421 -23.386 1.00 0.00 C ATOM 1402 CG HIS A 88 18.846 3.509 -22.231 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.543 2.340 -22.009 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.939 3.601 -21.230 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.077 1.752 -20.922 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.103 2.497 -20.430 1.00 0.00 N ATOM 0 H HIS A 88 19.526 6.265 -21.574 1.00 0.00 H new ATOM 0 HA HIS A 88 21.261 4.627 -23.310 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.271 5.082 -23.531 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.224 3.825 -24.293 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.300 1.985 -22.593 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.221 4.395 -21.087 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.432 0.821 -20.506 1.00 0.00 H new ATOM 1414 N ASP A 89 21.286 7.352 -24.059 1.00 0.00 N ATOM 1415 CA ASP A 89 21.437 8.448 -25.008 1.00 0.00 C ATOM 1416 C ASP A 89 21.756 7.918 -26.403 1.00 0.00 C ATOM 1417 O ASP A 89 22.705 7.159 -26.603 1.00 0.00 O ATOM 1418 CB ASP A 89 22.539 9.402 -24.547 1.00 0.00 C ATOM 1419 CG ASP A 89 23.926 8.815 -24.723 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.091 7.600 -24.481 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.845 9.568 -25.104 1.00 0.00 O ATOM 0 H ASP A 89 21.874 7.429 -23.229 1.00 0.00 H new ATOM 0 HA ASP A 89 20.493 8.991 -25.052 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.468 10.333 -25.109 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.384 9.651 -23.497 1.00 0.00 H new ATOM 1426 N PRO A 90 20.946 8.326 -27.391 1.00 0.00 N ATOM 1427 CA PRO A 90 21.122 7.905 -28.784 1.00 0.00 C ATOM 1428 C PRO A 90 22.367 8.513 -29.421 1.00 0.00 C ATOM 1429 O PRO A 90 23.199 9.105 -28.734 1.00 0.00 O ATOM 1430 CB PRO A 90 19.859 8.426 -29.474 1.00 0.00 C ATOM 1431 CG PRO A 90 19.418 9.577 -28.638 1.00 0.00 C ATOM 1432 CD PRO A 90 19.796 9.231 -27.225 1.00 0.00 C ATOM 0 HA PRO A 90 21.257 6.827 -28.870 1.00 0.00 H new ATOM 0 HB2 PRO A 90 20.067 8.737 -30.498 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.089 7.656 -29.525 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.903 10.500 -28.957 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.343 9.735 -28.727 1.00 0.00 H new ATOM 0 HD2 PRO A 90 20.063 10.119 -26.652 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.975 8.745 -26.697 1.00 0.00 H new ATOM 1440 N GLN A 91 22.486 8.364 -30.736 1.00 0.00 N ATOM 1441 CA GLN A 91 23.630 8.899 -31.465 1.00 0.00 C ATOM 1442 C GLN A 91 23.639 10.424 -31.420 1.00 0.00 C ATOM 1443 O GLN A 91 24.646 11.058 -31.736 1.00 0.00 O ATOM 1444 CB GLN A 91 23.607 8.420 -32.917 1.00 0.00 C ATOM 1445 CG GLN A 91 24.142 7.009 -33.101 1.00 0.00 C ATOM 1446 CD GLN A 91 23.119 5.947 -32.748 1.00 0.00 C ATOM 1447 OE1 GLN A 91 21.913 6.177 -32.835 1.00 0.00 O ATOM 1448 NE2 GLN A 91 23.597 4.774 -32.349 1.00 0.00 N ATOM 0 H GLN A 91 21.805 7.877 -31.318 1.00 0.00 H new ATOM 0 HA GLN A 91 24.538 8.534 -30.985 1.00 0.00 H new ATOM 0 HB2 GLN A 91 22.583 8.463 -33.289 1.00 0.00 H new ATOM 0 HB3 GLN A 91 24.196 9.105 -33.526 1.00 0.00 H new ATOM 0 HG2 GLN A 91 24.456 6.876 -34.136 1.00 0.00 H new ATOM 0 HG3 GLN A 91 25.027 6.876 -32.479 1.00 0.00 H new ATOM 0 HE21 GLN A 91 24.605 4.627 -32.291 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.956 4.020 -32.100 1.00 0.00 H new ATOM 1457 N ASP A 92 22.512 11.006 -31.026 1.00 0.00 N ATOM 1458 CA ASP A 92 22.390 12.456 -30.939 1.00 0.00 C ATOM 1459 C ASP A 92 22.814 12.956 -29.562 1.00 0.00 C ATOM 1460 O ASP A 92 23.583 13.912 -29.478 1.00 0.00 O ATOM 1461 CB ASP A 92 20.952 12.887 -31.231 1.00 0.00 C ATOM 1462 CG ASP A 92 19.997 12.513 -30.115 1.00 0.00 C ATOM 1463 OD1 ASP A 92 20.303 12.822 -28.944 1.00 0.00 O ATOM 1464 OD2 ASP A 92 18.944 11.911 -30.412 1.00 0.00 O ATOM 0 H ASP A 92 21.669 10.495 -30.762 1.00 0.00 H new ATOM 0 HA ASP A 92 23.052 12.896 -31.685 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.923 13.966 -31.383 1.00 0.00 H new ATOM 0 HB3 ASP A 92 20.619 12.425 -32.160 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -23.242 -13.678 -32.693 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -8.100 0.713 -20.172 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.401 2.159 -19.357 1.00 0.00 ZN