USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 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 130:sc= -0.689 USER MOD Set 1.2: A 19 SER OG : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0626 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.437 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1 (180deg=0.969) USER MOD Single : A 14 GLN : amide:sc= -0.469 K(o=-0.47,f=-2.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.61) USER MOD Single : A 26 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= -1.13 (180deg=-4.37!) USER MOD Single : A 33 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -50:sc= 0.545 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 140:sc= -0.0866 USER MOD Single : A 48 SER OG : rot 36:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.073) USER MOD Single : A 53 LYS NZ :NH3+ -111:sc= 1 (180deg=-0.0879) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.199 (180deg=-0.833) USER MOD Single : A 65 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.5) USER MOD Single : A 66 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.16) 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 141:sc= -1.16 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.16) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.747 -22.398 -42.938 1.00 0.00 N ATOM 2 CA GLY A 1 -32.040 -21.040 -43.358 1.00 0.00 C ATOM 3 C GLY A 1 -33.103 -20.983 -44.437 1.00 0.00 C ATOM 4 O GLY A 1 -33.326 -21.962 -45.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.119 -22.553 -41.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.194 -23.069 -43.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.718 -22.547 -42.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.370 -20.460 -42.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.127 -20.572 -43.727 1.00 0.00 H new ATOM 8 N SER A 2 -33.761 -19.835 -44.557 1.00 0.00 N ATOM 9 CA SER A 2 -34.810 -19.656 -45.554 1.00 0.00 C ATOM 10 C SER A 2 -34.400 -18.619 -46.595 1.00 0.00 C ATOM 11 O SER A 2 -34.713 -17.435 -46.465 1.00 0.00 O ATOM 12 CB SER A 2 -36.116 -19.230 -44.881 1.00 0.00 C ATOM 13 OG SER A 2 -35.920 -18.090 -44.062 1.00 0.00 O ATOM 0 H SER A 2 -33.587 -19.015 -43.976 1.00 0.00 H new ATOM 0 HA SER A 2 -34.963 -20.610 -46.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.866 -19.011 -45.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.503 -20.052 -44.279 1.00 0.00 H new ATOM 0 HG SER A 2 -35.396 -17.422 -44.551 1.00 0.00 H new ATOM 19 N SER A 3 -33.697 -19.072 -47.628 1.00 0.00 N ATOM 20 CA SER A 3 -33.239 -18.183 -48.690 1.00 0.00 C ATOM 21 C SER A 3 -34.264 -18.112 -49.818 1.00 0.00 C ATOM 22 O SER A 3 -35.298 -18.778 -49.775 1.00 0.00 O ATOM 23 CB SER A 3 -31.893 -18.661 -49.238 1.00 0.00 C ATOM 24 OG SER A 3 -32.025 -19.908 -49.898 1.00 0.00 O ATOM 0 H SER A 3 -33.432 -20.049 -47.752 1.00 0.00 H new ATOM 0 HA SER A 3 -33.118 -17.185 -48.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.495 -17.920 -49.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.176 -18.752 -48.422 1.00 0.00 H new ATOM 0 HG SER A 3 -31.151 -20.191 -50.241 1.00 0.00 H new ATOM 30 N GLY A 4 -33.969 -17.298 -50.827 1.00 0.00 N ATOM 31 CA GLY A 4 -34.874 -17.153 -51.952 1.00 0.00 C ATOM 32 C GLY A 4 -35.767 -15.934 -51.825 1.00 0.00 C ATOM 33 O GLY A 4 -35.591 -14.950 -52.542 1.00 0.00 O ATOM 0 H GLY A 4 -33.119 -16.736 -50.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.295 -17.081 -52.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.493 -18.046 -52.034 1.00 0.00 H new ATOM 37 N SER A 5 -36.729 -16.001 -50.911 1.00 0.00 N ATOM 38 CA SER A 5 -37.657 -14.897 -50.696 1.00 0.00 C ATOM 39 C SER A 5 -36.905 -13.579 -50.532 1.00 0.00 C ATOM 40 O SER A 5 -35.689 -13.565 -50.344 1.00 0.00 O ATOM 41 CB SER A 5 -38.521 -15.161 -49.461 1.00 0.00 C ATOM 42 OG SER A 5 -39.533 -16.112 -49.741 1.00 0.00 O ATOM 0 H SER A 5 -36.886 -16.808 -50.307 1.00 0.00 H new ATOM 0 HA SER A 5 -38.301 -14.822 -51.572 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.894 -15.522 -48.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 -38.976 -14.229 -49.126 1.00 0.00 H new ATOM 0 HG SER A 5 -40.070 -16.265 -48.936 1.00 0.00 H new ATOM 48 N SER A 6 -37.639 -12.473 -50.604 1.00 0.00 N ATOM 49 CA SER A 6 -37.042 -11.150 -50.468 1.00 0.00 C ATOM 50 C SER A 6 -36.669 -10.869 -49.016 1.00 0.00 C ATOM 51 O SER A 6 -37.354 -11.305 -48.091 1.00 0.00 O ATOM 52 CB SER A 6 -38.008 -10.077 -50.974 1.00 0.00 C ATOM 53 OG SER A 6 -39.256 -10.158 -50.307 1.00 0.00 O ATOM 0 H SER A 6 -38.648 -12.467 -50.756 1.00 0.00 H new ATOM 0 HA SER A 6 -36.134 -11.125 -51.070 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.573 -9.090 -50.819 1.00 0.00 H new ATOM 0 HB3 SER A 6 -38.157 -10.195 -52.047 1.00 0.00 H new ATOM 0 HG SER A 6 -39.855 -9.461 -50.647 1.00 0.00 H new ATOM 59 N GLY A 7 -35.575 -10.138 -48.823 1.00 0.00 N ATOM 60 CA GLY A 7 -35.128 -9.811 -47.482 1.00 0.00 C ATOM 61 C GLY A 7 -34.502 -8.433 -47.399 1.00 0.00 C ATOM 62 O GLY A 7 -34.971 -7.490 -48.036 1.00 0.00 O ATOM 0 H GLY A 7 -34.990 -9.767 -49.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -35.974 -9.864 -46.797 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.404 -10.556 -47.152 1.00 0.00 H new ATOM 66 N LYS A 8 -33.439 -8.314 -46.610 1.00 0.00 N ATOM 67 CA LYS A 8 -32.747 -7.042 -46.444 1.00 0.00 C ATOM 68 C LYS A 8 -33.695 -5.972 -45.910 1.00 0.00 C ATOM 69 O LYS A 8 -33.832 -4.890 -46.480 1.00 0.00 O ATOM 70 CB LYS A 8 -32.147 -6.587 -47.777 1.00 0.00 C ATOM 71 CG LYS A 8 -30.848 -7.289 -48.130 1.00 0.00 C ATOM 72 CD LYS A 8 -30.329 -6.851 -49.490 1.00 0.00 C ATOM 73 CE LYS A 8 -29.402 -5.651 -49.372 1.00 0.00 C ATOM 74 NZ LYS A 8 -28.966 -5.154 -50.706 1.00 0.00 N ATOM 0 H LYS A 8 -33.038 -9.084 -46.075 1.00 0.00 H new ATOM 0 HA LYS A 8 -31.944 -7.185 -45.721 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -32.873 -6.763 -48.571 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -31.971 -5.512 -47.738 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.099 -7.075 -47.368 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.004 -8.368 -48.129 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.798 -7.678 -49.961 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -31.169 -6.601 -50.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.911 -4.851 -48.835 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.527 -5.925 -48.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.336 -4.336 -50.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.458 -5.910 -51.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.799 -4.869 -51.259 1.00 0.00 H new ATOM 88 N PRO A 9 -34.363 -6.280 -44.789 1.00 0.00 N ATOM 89 CA PRO A 9 -35.308 -5.357 -44.152 1.00 0.00 C ATOM 90 C PRO A 9 -34.610 -4.156 -43.523 1.00 0.00 C ATOM 91 O PRO A 9 -35.115 -3.034 -43.576 1.00 0.00 O ATOM 92 CB PRO A 9 -35.970 -6.217 -43.072 1.00 0.00 C ATOM 93 CG PRO A 9 -34.970 -7.277 -42.765 1.00 0.00 C ATOM 94 CD PRO A 9 -34.249 -7.552 -44.056 1.00 0.00 C ATOM 0 HA PRO A 9 -36.011 -4.934 -44.869 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -36.206 -5.627 -42.186 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -36.906 -6.647 -43.427 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -34.275 -6.946 -41.993 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -35.458 -8.177 -42.391 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -33.208 -7.825 -43.884 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -34.708 -8.374 -44.605 1.00 0.00 H new ATOM 102 N TYR A 10 -33.448 -4.398 -42.928 1.00 0.00 N ATOM 103 CA TYR A 10 -32.681 -3.336 -42.287 1.00 0.00 C ATOM 104 C TYR A 10 -32.106 -2.377 -43.324 1.00 0.00 C ATOM 105 O TYR A 10 -31.326 -2.774 -44.189 1.00 0.00 O ATOM 106 CB TYR A 10 -31.552 -3.931 -41.444 1.00 0.00 C ATOM 107 CG TYR A 10 -32.018 -4.979 -40.459 1.00 0.00 C ATOM 108 CD1 TYR A 10 -32.263 -6.284 -40.867 1.00 0.00 C ATOM 109 CD2 TYR A 10 -32.215 -4.663 -39.120 1.00 0.00 C ATOM 110 CE1 TYR A 10 -32.690 -7.245 -39.971 1.00 0.00 C ATOM 111 CE2 TYR A 10 -32.640 -5.618 -38.217 1.00 0.00 C ATOM 112 CZ TYR A 10 -32.876 -6.907 -38.647 1.00 0.00 C ATOM 113 OH TYR A 10 -33.301 -7.860 -37.750 1.00 0.00 O ATOM 0 H TYR A 10 -33.016 -5.320 -42.876 1.00 0.00 H new ATOM 0 HA TYR A 10 -33.355 -2.778 -41.637 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -30.809 -4.373 -42.108 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -31.055 -3.128 -40.899 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -32.117 -6.552 -41.903 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -32.033 -3.654 -38.780 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.877 -8.255 -40.305 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -32.787 -5.357 -37.179 1.00 0.00 H new ATOM 0 HH TYR A 10 -33.381 -7.459 -36.860 1.00 0.00 H new ATOM 123 N LYS A 11 -32.498 -1.111 -43.230 1.00 0.00 N ATOM 124 CA LYS A 11 -32.022 -0.091 -44.158 1.00 0.00 C ATOM 125 C LYS A 11 -31.231 0.986 -43.423 1.00 0.00 C ATOM 126 O LYS A 11 -31.472 1.254 -42.246 1.00 0.00 O ATOM 127 CB LYS A 11 -33.201 0.543 -44.899 1.00 0.00 C ATOM 128 CG LYS A 11 -33.639 -0.238 -46.126 1.00 0.00 C ATOM 129 CD LYS A 11 -34.607 -1.351 -45.762 1.00 0.00 C ATOM 130 CE LYS A 11 -35.390 -1.828 -46.975 1.00 0.00 C ATOM 131 NZ LYS A 11 -34.519 -2.534 -47.955 1.00 0.00 N ATOM 0 H LYS A 11 -33.144 -0.766 -42.520 1.00 0.00 H new ATOM 0 HA LYS A 11 -31.363 -0.572 -44.881 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -34.045 0.631 -44.214 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -32.928 1.554 -45.201 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -34.111 0.438 -46.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -32.765 -0.662 -46.620 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -34.056 -2.187 -45.331 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -35.299 -0.997 -44.997 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -36.189 -2.496 -46.652 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -35.864 -0.975 -47.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -35.067 -2.754 -48.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -33.714 -1.925 -48.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -34.167 -3.417 -47.533 1.00 0.00 H new ATOM 145 N CYS A 12 -30.285 1.602 -44.125 1.00 0.00 N ATOM 146 CA CYS A 12 -29.459 2.651 -43.540 1.00 0.00 C ATOM 147 C CYS A 12 -30.185 3.993 -43.564 1.00 0.00 C ATOM 148 O CYS A 12 -30.515 4.529 -44.622 1.00 0.00 O ATOM 149 CB CYS A 12 -28.132 2.763 -44.294 1.00 0.00 C ATOM 150 SG CYS A 12 -26.883 3.787 -43.451 1.00 0.00 S ATOM 0 H CYS A 12 -30.072 1.392 -45.100 1.00 0.00 H new ATOM 0 HA CYS A 12 -29.259 2.385 -42.502 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -27.726 1.763 -44.444 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -28.322 3.181 -45.283 1.00 0.00 H new ATOM 155 N PRO A 13 -30.441 4.548 -42.371 1.00 0.00 N ATOM 156 CA PRO A 13 -31.130 5.834 -42.227 1.00 0.00 C ATOM 157 C PRO A 13 -30.276 7.006 -42.699 1.00 0.00 C ATOM 158 O PRO A 13 -30.701 8.159 -42.639 1.00 0.00 O ATOM 159 CB PRO A 13 -31.388 5.933 -40.722 1.00 0.00 C ATOM 160 CG PRO A 13 -30.331 5.086 -40.100 1.00 0.00 C ATOM 161 CD PRO A 13 -30.076 3.964 -41.069 1.00 0.00 C ATOM 0 HA PRO A 13 -32.035 5.880 -42.832 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -31.323 6.965 -40.376 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -32.385 5.573 -40.467 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -29.423 5.662 -39.923 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -30.658 4.701 -39.134 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -29.034 3.645 -41.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -30.682 3.088 -40.838 1.00 0.00 H new ATOM 169 N GLN A 14 -29.070 6.701 -43.169 1.00 0.00 N ATOM 170 CA GLN A 14 -28.157 7.730 -43.651 1.00 0.00 C ATOM 171 C GLN A 14 -27.968 7.626 -45.161 1.00 0.00 C ATOM 172 O GLN A 14 -27.816 8.636 -45.850 1.00 0.00 O ATOM 173 CB GLN A 14 -26.804 7.612 -42.947 1.00 0.00 C ATOM 174 CG GLN A 14 -26.897 7.703 -41.432 1.00 0.00 C ATOM 175 CD GLN A 14 -25.645 8.281 -40.804 1.00 0.00 C ATOM 176 OE1 GLN A 14 -24.959 9.108 -41.407 1.00 0.00 O ATOM 177 NE2 GLN A 14 -25.339 7.849 -39.586 1.00 0.00 N ATOM 0 H GLN A 14 -28.703 5.751 -43.226 1.00 0.00 H new ATOM 0 HA GLN A 14 -28.593 8.703 -43.424 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -26.344 6.662 -43.218 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -26.145 8.400 -43.310 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -27.753 8.321 -41.161 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -27.079 6.709 -41.023 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -25.936 7.163 -39.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -24.507 8.203 -39.113 1.00 0.00 H new ATOM 186 N CYS A 15 -27.977 6.399 -45.671 1.00 0.00 N ATOM 187 CA CYS A 15 -27.806 6.162 -47.099 1.00 0.00 C ATOM 188 C CYS A 15 -28.804 5.123 -47.601 1.00 0.00 C ATOM 189 O CYS A 15 -29.661 4.656 -46.851 1.00 0.00 O ATOM 190 CB CYS A 15 -26.378 5.698 -47.393 1.00 0.00 C ATOM 191 SG CYS A 15 -26.146 3.894 -47.281 1.00 0.00 S ATOM 0 H CYS A 15 -28.101 5.553 -45.116 1.00 0.00 H new ATOM 0 HA CYS A 15 -27.991 7.100 -47.622 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -26.098 6.028 -48.393 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -25.698 6.185 -46.695 1.00 0.00 H new ATOM 196 N SER A 16 -28.687 4.766 -48.876 1.00 0.00 N ATOM 197 CA SER A 16 -29.581 3.785 -49.481 1.00 0.00 C ATOM 198 C SER A 16 -29.025 2.373 -49.321 1.00 0.00 C ATOM 199 O SER A 16 -29.115 1.552 -50.234 1.00 0.00 O ATOM 200 CB SER A 16 -29.789 4.099 -50.964 1.00 0.00 C ATOM 201 OG SER A 16 -30.268 5.421 -51.143 1.00 0.00 O ATOM 0 H SER A 16 -27.982 5.141 -49.510 1.00 0.00 H new ATOM 0 HA SER A 16 -30.541 3.839 -48.968 1.00 0.00 H new ATOM 0 HB2 SER A 16 -28.849 3.974 -51.501 1.00 0.00 H new ATOM 0 HB3 SER A 16 -30.498 3.391 -51.393 1.00 0.00 H new ATOM 0 HG SER A 16 -30.391 5.598 -52.099 1.00 0.00 H new ATOM 207 N TYR A 17 -28.451 2.099 -48.156 1.00 0.00 N ATOM 208 CA TYR A 17 -27.878 0.787 -47.876 1.00 0.00 C ATOM 209 C TYR A 17 -28.893 -0.113 -47.178 1.00 0.00 C ATOM 210 O TYR A 17 -29.803 0.366 -46.503 1.00 0.00 O ATOM 211 CB TYR A 17 -26.625 0.929 -47.010 1.00 0.00 C ATOM 212 CG TYR A 17 -26.139 -0.379 -46.430 1.00 0.00 C ATOM 213 CD1 TYR A 17 -25.329 -1.232 -47.170 1.00 0.00 C ATOM 214 CD2 TYR A 17 -26.489 -0.764 -45.141 1.00 0.00 C ATOM 215 CE1 TYR A 17 -24.882 -2.429 -46.644 1.00 0.00 C ATOM 216 CE2 TYR A 17 -26.046 -1.958 -44.607 1.00 0.00 C ATOM 217 CZ TYR A 17 -25.244 -2.787 -45.362 1.00 0.00 C ATOM 218 OH TYR A 17 -24.802 -3.978 -44.834 1.00 0.00 O ATOM 0 H TYR A 17 -28.370 2.767 -47.390 1.00 0.00 H new ATOM 0 HA TYR A 17 -27.605 0.328 -48.826 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -25.828 1.370 -47.609 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -26.833 1.623 -46.196 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -25.044 -0.954 -48.174 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -27.118 -0.118 -44.547 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -24.253 -3.080 -47.233 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.326 -2.241 -43.603 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.410 -3.819 -43.950 1.00 0.00 H new ATOM 228 N ALA A 18 -28.727 -1.421 -47.345 1.00 0.00 N ATOM 229 CA ALA A 18 -29.626 -2.389 -46.729 1.00 0.00 C ATOM 230 C ALA A 18 -28.944 -3.744 -46.565 1.00 0.00 C ATOM 231 O ALA A 18 -28.087 -4.119 -47.366 1.00 0.00 O ATOM 232 CB ALA A 18 -30.895 -2.532 -47.557 1.00 0.00 C ATOM 0 H ALA A 18 -27.979 -1.834 -47.901 1.00 0.00 H new ATOM 0 HA ALA A 18 -29.891 -2.022 -45.738 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -31.557 -3.258 -47.085 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -31.399 -1.568 -47.619 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -30.638 -2.873 -48.560 1.00 0.00 H new ATOM 238 N SER A 19 -29.330 -4.473 -45.523 1.00 0.00 N ATOM 239 CA SER A 19 -28.752 -5.784 -45.252 1.00 0.00 C ATOM 240 C SER A 19 -29.763 -6.689 -44.556 1.00 0.00 C ATOM 241 O SER A 19 -30.755 -6.219 -44.000 1.00 0.00 O ATOM 242 CB SER A 19 -27.497 -5.643 -44.388 1.00 0.00 C ATOM 243 OG SER A 19 -26.667 -6.786 -44.503 1.00 0.00 O ATOM 0 H SER A 19 -30.040 -4.178 -44.853 1.00 0.00 H new ATOM 0 HA SER A 19 -28.479 -6.238 -46.205 1.00 0.00 H new ATOM 0 HB2 SER A 19 -26.942 -4.755 -44.690 1.00 0.00 H new ATOM 0 HB3 SER A 19 -27.783 -5.501 -43.346 1.00 0.00 H new ATOM 0 HG SER A 19 -25.731 -6.525 -44.376 1.00 0.00 H new ATOM 249 N ALA A 20 -29.504 -7.992 -44.591 1.00 0.00 N ATOM 250 CA ALA A 20 -30.389 -8.965 -43.962 1.00 0.00 C ATOM 251 C ALA A 20 -30.071 -9.118 -42.479 1.00 0.00 C ATOM 252 O ALA A 20 -30.960 -9.380 -41.668 1.00 0.00 O ATOM 253 CB ALA A 20 -30.283 -10.309 -44.668 1.00 0.00 C ATOM 0 H ALA A 20 -28.688 -8.398 -45.049 1.00 0.00 H new ATOM 0 HA ALA A 20 -31.412 -8.600 -44.052 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -30.949 -11.026 -44.188 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -30.567 -10.194 -45.714 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -29.257 -10.671 -44.609 1.00 0.00 H new ATOM 259 N ILE A 21 -28.799 -8.955 -42.131 1.00 0.00 N ATOM 260 CA ILE A 21 -28.366 -9.075 -40.744 1.00 0.00 C ATOM 261 C ILE A 21 -28.396 -7.723 -40.040 1.00 0.00 C ATOM 262 O ILE A 21 -28.167 -6.683 -40.657 1.00 0.00 O ATOM 263 CB ILE A 21 -26.944 -9.659 -40.648 1.00 0.00 C ATOM 264 CG1 ILE A 21 -26.874 -11.009 -41.366 1.00 0.00 C ATOM 265 CG2 ILE A 21 -26.529 -9.806 -39.192 1.00 0.00 C ATOM 266 CD1 ILE A 21 -25.466 -11.427 -41.731 1.00 0.00 C ATOM 0 H ILE A 21 -28.051 -8.740 -42.790 1.00 0.00 H new ATOM 0 HA ILE A 21 -29.064 -9.753 -40.253 1.00 0.00 H new ATOM 0 HB ILE A 21 -26.252 -8.973 -41.136 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -27.318 -11.774 -40.729 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -27.477 -10.961 -42.273 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -25.522 -10.220 -39.141 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -26.545 -8.829 -38.709 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -27.222 -10.475 -38.682 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -25.493 -12.392 -42.236 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.026 -10.682 -42.394 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.864 -11.508 -40.826 1.00 0.00 H new ATOM 278 N LYS A 22 -28.680 -7.745 -38.742 1.00 0.00 N ATOM 279 CA LYS A 22 -28.738 -6.523 -37.950 1.00 0.00 C ATOM 280 C LYS A 22 -27.337 -5.984 -37.677 1.00 0.00 C ATOM 281 O LYS A 22 -27.074 -4.795 -37.855 1.00 0.00 O ATOM 282 CB LYS A 22 -29.463 -6.781 -36.627 1.00 0.00 C ATOM 283 CG LYS A 22 -29.886 -5.512 -35.908 1.00 0.00 C ATOM 284 CD LYS A 22 -31.118 -5.742 -35.048 1.00 0.00 C ATOM 285 CE LYS A 22 -30.806 -6.634 -33.855 1.00 0.00 C ATOM 286 NZ LYS A 22 -32.033 -6.981 -33.086 1.00 0.00 N ATOM 0 H LYS A 22 -28.874 -8.597 -38.216 1.00 0.00 H new ATOM 0 HA LYS A 22 -29.291 -5.777 -38.521 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -30.346 -7.391 -36.819 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -28.812 -7.360 -35.972 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -29.067 -5.156 -35.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -30.092 -4.730 -36.639 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -31.502 -4.784 -34.697 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -31.903 -6.199 -35.650 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -30.324 -7.548 -34.201 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -30.097 -6.129 -33.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -31.778 -7.589 -32.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -32.480 -6.110 -32.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -32.699 -7.486 -33.705 1.00 0.00 H new ATOM 300 N ALA A 23 -26.443 -6.867 -37.245 1.00 0.00 N ATOM 301 CA ALA A 23 -25.068 -6.480 -36.951 1.00 0.00 C ATOM 302 C ALA A 23 -24.439 -5.750 -38.132 1.00 0.00 C ATOM 303 O ALA A 23 -23.707 -4.777 -37.954 1.00 0.00 O ATOM 304 CB ALA A 23 -24.243 -7.705 -36.585 1.00 0.00 C ATOM 0 H ALA A 23 -26.646 -7.855 -37.091 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.082 -5.797 -36.102 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.219 -7.402 -36.368 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.674 -8.184 -35.706 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.245 -8.407 -37.419 1.00 0.00 H new ATOM 310 N ASN A 24 -24.729 -6.226 -39.339 1.00 0.00 N ATOM 311 CA ASN A 24 -24.190 -5.618 -40.550 1.00 0.00 C ATOM 312 C ASN A 24 -24.473 -4.119 -40.579 1.00 0.00 C ATOM 313 O ASN A 24 -23.580 -3.312 -40.840 1.00 0.00 O ATOM 314 CB ASN A 24 -24.787 -6.285 -41.791 1.00 0.00 C ATOM 315 CG ASN A 24 -23.994 -7.500 -42.232 1.00 0.00 C ATOM 316 OD1 ASN A 24 -23.858 -8.470 -41.487 1.00 0.00 O ATOM 317 ND2 ASN A 24 -23.466 -7.451 -43.449 1.00 0.00 N ATOM 0 H ASN A 24 -25.334 -7.030 -39.504 1.00 0.00 H new ATOM 0 HA ASN A 24 -23.110 -5.766 -40.550 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -25.815 -6.582 -41.582 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.823 -5.563 -42.606 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.922 -8.239 -43.801 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.605 -6.626 -44.032 1.00 0.00 H new ATOM 324 N LEU A 25 -25.722 -3.753 -40.309 1.00 0.00 N ATOM 325 CA LEU A 25 -26.124 -2.351 -40.303 1.00 0.00 C ATOM 326 C LEU A 25 -25.240 -1.535 -39.365 1.00 0.00 C ATOM 327 O LEU A 25 -24.943 -0.372 -39.633 1.00 0.00 O ATOM 328 CB LEU A 25 -27.589 -2.223 -39.882 1.00 0.00 C ATOM 329 CG LEU A 25 -28.206 -0.830 -40.017 1.00 0.00 C ATOM 330 CD1 LEU A 25 -28.223 -0.392 -41.473 1.00 0.00 C ATOM 331 CD2 LEU A 25 -29.613 -0.812 -39.437 1.00 0.00 C ATOM 0 H LEU A 25 -26.473 -4.408 -40.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -26.007 -1.960 -41.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -28.180 -2.920 -40.477 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -27.677 -2.538 -38.842 1.00 0.00 H new ATOM 0 HG LEU A 25 -27.593 -0.126 -39.454 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -28.665 0.601 -41.549 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -27.203 -0.365 -41.857 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -28.813 -1.098 -42.058 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -30.037 0.187 -39.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -30.236 -1.529 -39.972 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -29.575 -1.081 -38.381 1.00 0.00 H new ATOM 343 N ASN A 26 -24.823 -2.154 -38.266 1.00 0.00 N ATOM 344 CA ASN A 26 -23.971 -1.485 -37.289 1.00 0.00 C ATOM 345 C ASN A 26 -22.586 -1.216 -37.869 1.00 0.00 C ATOM 346 O ASN A 26 -22.051 -0.114 -37.741 1.00 0.00 O ATOM 347 CB ASN A 26 -23.850 -2.334 -36.022 1.00 0.00 C ATOM 348 CG ASN A 26 -25.151 -2.406 -35.247 1.00 0.00 C ATOM 349 OD1 ASN A 26 -25.297 -1.782 -34.196 1.00 0.00 O ATOM 350 ND2 ASN A 26 -26.106 -3.171 -35.765 1.00 0.00 N ATOM 0 H ASN A 26 -25.061 -3.117 -38.029 1.00 0.00 H new ATOM 0 HA ASN A 26 -24.431 -0.530 -37.036 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -23.535 -3.342 -36.292 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -23.072 -1.918 -35.382 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -27.004 -3.259 -35.289 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -25.941 -3.671 -36.639 1.00 0.00 H new ATOM 357 N VAL A 27 -22.010 -2.230 -38.507 1.00 0.00 N ATOM 358 CA VAL A 27 -20.688 -2.102 -39.109 1.00 0.00 C ATOM 359 C VAL A 27 -20.724 -1.184 -40.325 1.00 0.00 C ATOM 360 O VAL A 27 -19.750 -0.491 -40.622 1.00 0.00 O ATOM 361 CB VAL A 27 -20.129 -3.474 -39.531 1.00 0.00 C ATOM 362 CG1 VAL A 27 -20.515 -3.789 -40.968 1.00 0.00 C ATOM 363 CG2 VAL A 27 -18.619 -3.510 -39.356 1.00 0.00 C ATOM 0 H VAL A 27 -22.438 -3.149 -38.620 1.00 0.00 H new ATOM 0 HA VAL A 27 -20.035 -1.669 -38.351 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.565 -4.238 -38.887 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -20.111 -4.762 -41.248 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.601 -3.807 -41.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -20.110 -3.024 -41.630 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -18.241 -4.486 -39.659 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -18.163 -2.737 -39.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -18.370 -3.333 -38.310 1.00 0.00 H new ATOM 373 N HIS A 28 -21.853 -1.184 -41.027 1.00 0.00 N ATOM 374 CA HIS A 28 -22.017 -0.349 -42.212 1.00 0.00 C ATOM 375 C HIS A 28 -22.069 1.128 -41.833 1.00 0.00 C ATOM 376 O HIS A 28 -21.326 1.946 -42.376 1.00 0.00 O ATOM 377 CB HIS A 28 -23.288 -0.740 -42.965 1.00 0.00 C ATOM 378 CG HIS A 28 -23.661 0.222 -44.051 1.00 0.00 C ATOM 379 ND1 HIS A 28 -23.213 0.102 -45.349 1.00 0.00 N ATOM 380 CD2 HIS A 28 -24.446 1.325 -44.025 1.00 0.00 C ATOM 381 CE1 HIS A 28 -23.705 1.090 -46.075 1.00 0.00 C ATOM 382 NE2 HIS A 28 -24.456 1.846 -45.296 1.00 0.00 N ATOM 0 H HIS A 28 -22.668 -1.753 -40.796 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.156 -0.509 -42.861 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -23.153 -1.731 -43.399 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -24.113 -0.812 -42.256 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -22.598 -0.634 -45.695 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.967 1.721 -43.166 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.524 1.252 -47.127 1.00 0.00 H new ATOM 390 N LEU A 29 -22.952 1.463 -40.899 1.00 0.00 N ATOM 391 CA LEU A 29 -23.103 2.842 -40.447 1.00 0.00 C ATOM 392 C LEU A 29 -21.746 3.461 -40.127 1.00 0.00 C ATOM 393 O LEU A 29 -21.579 4.679 -40.186 1.00 0.00 O ATOM 394 CB LEU A 29 -24.007 2.900 -39.215 1.00 0.00 C ATOM 395 CG LEU A 29 -25.461 2.478 -39.428 1.00 0.00 C ATOM 396 CD1 LEU A 29 -26.064 1.967 -38.129 1.00 0.00 C ATOM 397 CD2 LEU A 29 -26.278 3.637 -39.978 1.00 0.00 C ATOM 0 H LEU A 29 -23.575 0.798 -40.440 1.00 0.00 H new ATOM 0 HA LEU A 29 -23.562 3.415 -41.253 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -23.575 2.264 -38.442 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.998 3.920 -38.831 1.00 0.00 H new ATOM 0 HG LEU A 29 -25.481 1.668 -40.157 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -27.099 1.671 -38.300 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -25.494 1.107 -37.777 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -26.031 2.756 -37.378 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -27.310 3.318 -40.123 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -26.251 4.468 -39.273 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -25.859 3.957 -40.932 1.00 0.00 H new ATOM 409 N ARG A 30 -20.780 2.613 -39.789 1.00 0.00 N ATOM 410 CA ARG A 30 -19.437 3.077 -39.461 1.00 0.00 C ATOM 411 C ARG A 30 -18.891 3.984 -40.559 1.00 0.00 C ATOM 412 O ARG A 30 -18.296 5.026 -40.281 1.00 0.00 O ATOM 413 CB ARG A 30 -18.499 1.886 -39.255 1.00 0.00 C ATOM 414 CG ARG A 30 -18.858 1.029 -38.052 1.00 0.00 C ATOM 415 CD ARG A 30 -17.821 -0.057 -37.813 1.00 0.00 C ATOM 416 NE ARG A 30 -18.102 -0.824 -36.602 1.00 0.00 N ATOM 417 CZ ARG A 30 -17.176 -1.495 -35.926 1.00 0.00 C ATOM 418 NH1 ARG A 30 -15.916 -1.493 -36.340 1.00 0.00 N ATOM 419 NH2 ARG A 30 -17.509 -2.169 -34.833 1.00 0.00 N ATOM 0 H ARG A 30 -20.902 1.602 -39.735 1.00 0.00 H new ATOM 0 HA ARG A 30 -19.494 3.650 -38.536 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -18.513 1.264 -40.150 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.479 2.253 -39.138 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.938 1.659 -37.166 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -19.835 0.572 -38.208 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.796 -0.729 -38.670 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.833 0.396 -37.734 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.062 -0.846 -36.257 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.656 -0.975 -37.179 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.207 -2.009 -35.819 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.477 -2.172 -34.511 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.797 -2.684 -34.315 1.00 0.00 H new ATOM 433 N LYS A 31 -19.097 3.582 -41.809 1.00 0.00 N ATOM 434 CA LYS A 31 -18.627 4.357 -42.950 1.00 0.00 C ATOM 435 C LYS A 31 -19.164 5.784 -42.898 1.00 0.00 C ATOM 436 O LYS A 31 -18.634 6.682 -43.552 1.00 0.00 O ATOM 437 CB LYS A 31 -19.054 3.688 -44.259 1.00 0.00 C ATOM 438 CG LYS A 31 -18.712 2.209 -44.326 1.00 0.00 C ATOM 439 CD LYS A 31 -19.190 1.584 -45.625 1.00 0.00 C ATOM 440 CE LYS A 31 -20.709 1.555 -45.704 1.00 0.00 C ATOM 441 NZ LYS A 31 -21.254 2.773 -46.364 1.00 0.00 N ATOM 0 H LYS A 31 -19.587 2.723 -42.057 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.539 4.395 -42.907 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.130 3.810 -44.385 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.575 4.201 -45.093 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.634 2.080 -44.234 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.168 1.691 -43.483 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.791 2.147 -46.469 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.801 0.569 -45.706 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.027 0.670 -46.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.123 1.470 -44.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.984 3.199 -45.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.487 3.458 -46.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.672 2.514 -47.280 1.00 0.00 H new ATOM 455 N HIS A 32 -20.219 5.985 -42.114 1.00 0.00 N ATOM 456 CA HIS A 32 -20.827 7.304 -41.975 1.00 0.00 C ATOM 457 C HIS A 32 -20.342 7.994 -40.704 1.00 0.00 C ATOM 458 O HIS A 32 -21.016 8.873 -40.165 1.00 0.00 O ATOM 459 CB HIS A 32 -22.351 7.187 -41.956 1.00 0.00 C ATOM 460 CG HIS A 32 -22.921 6.580 -43.201 1.00 0.00 C ATOM 461 ND1 HIS A 32 -22.736 7.122 -44.455 1.00 0.00 N ATOM 462 CD2 HIS A 32 -23.674 5.470 -43.381 1.00 0.00 C ATOM 463 CE1 HIS A 32 -23.352 6.373 -45.352 1.00 0.00 C ATOM 464 NE2 HIS A 32 -23.929 5.363 -44.726 1.00 0.00 N ATOM 0 H HIS A 32 -20.670 5.252 -41.566 1.00 0.00 H new ATOM 0 HA HIS A 32 -20.527 7.907 -42.832 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -22.650 6.585 -41.098 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -22.782 8.178 -41.815 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -22.206 7.969 -44.659 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -24.012 4.794 -42.610 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -23.379 6.555 -46.416 1.00 0.00 H new ATOM 472 N THR A 33 -19.168 7.590 -40.227 1.00 0.00 N ATOM 473 CA THR A 33 -18.594 8.167 -39.019 1.00 0.00 C ATOM 474 C THR A 33 -17.542 9.217 -39.357 1.00 0.00 C ATOM 475 O THR A 33 -17.346 9.560 -40.522 1.00 0.00 O ATOM 476 CB THR A 33 -17.955 7.085 -38.128 1.00 0.00 C ATOM 477 OG1 THR A 33 -16.816 6.520 -38.785 1.00 0.00 O ATOM 478 CG2 THR A 33 -18.958 5.987 -37.806 1.00 0.00 C ATOM 0 H THR A 33 -18.596 6.865 -40.660 1.00 0.00 H new ATOM 0 HA THR A 33 -19.412 8.639 -38.475 1.00 0.00 H new ATOM 0 HB THR A 33 -17.641 7.553 -37.195 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.114 5.942 -39.518 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.484 5.234 -37.176 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.811 6.416 -37.280 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.299 5.523 -38.731 1.00 0.00 H new ATOM 486 N GLY A 34 -16.867 9.724 -38.330 1.00 0.00 N ATOM 487 CA GLY A 34 -15.842 10.730 -38.540 1.00 0.00 C ATOM 488 C GLY A 34 -14.442 10.177 -38.360 1.00 0.00 C ATOM 489 O GLY A 34 -14.191 9.005 -38.636 1.00 0.00 O ATOM 0 H GLY A 34 -17.012 9.456 -37.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.941 11.141 -39.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.997 11.553 -37.842 1.00 0.00 H new ATOM 493 N GLU A 35 -13.528 11.025 -37.898 1.00 0.00 N ATOM 494 CA GLU A 35 -12.145 10.614 -37.684 1.00 0.00 C ATOM 495 C GLU A 35 -12.054 9.562 -36.583 1.00 0.00 C ATOM 496 O GLU A 35 -12.731 9.657 -35.559 1.00 0.00 O ATOM 497 CB GLU A 35 -11.281 11.823 -37.322 1.00 0.00 C ATOM 498 CG GLU A 35 -10.674 12.521 -38.528 1.00 0.00 C ATOM 499 CD GLU A 35 -11.611 13.543 -39.143 1.00 0.00 C ATOM 500 OE1 GLU A 35 -12.504 13.139 -39.916 1.00 0.00 O ATOM 501 OE2 GLU A 35 -11.450 14.746 -38.850 1.00 0.00 O ATOM 0 H GLU A 35 -13.720 11.999 -37.665 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.775 10.177 -38.611 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.887 12.538 -36.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.479 11.500 -36.658 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.749 13.015 -38.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.410 11.777 -39.279 1.00 0.00 H new ATOM 508 N LYS A 36 -11.212 8.557 -36.800 1.00 0.00 N ATOM 509 CA LYS A 36 -11.030 7.487 -35.828 1.00 0.00 C ATOM 510 C LYS A 36 -9.683 7.615 -35.123 1.00 0.00 C ATOM 511 O LYS A 36 -8.646 7.238 -35.669 1.00 0.00 O ATOM 512 CB LYS A 36 -11.129 6.123 -36.515 1.00 0.00 C ATOM 513 CG LYS A 36 -12.557 5.682 -36.788 1.00 0.00 C ATOM 514 CD LYS A 36 -12.680 4.168 -36.804 1.00 0.00 C ATOM 515 CE LYS A 36 -14.132 3.725 -36.715 1.00 0.00 C ATOM 516 NZ LYS A 36 -14.262 2.365 -36.124 1.00 0.00 N ATOM 0 H LYS A 36 -10.644 8.462 -37.642 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.821 7.570 -35.082 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.582 6.160 -37.457 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.639 5.375 -35.891 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.218 6.093 -36.025 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.886 6.085 -37.746 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.234 3.776 -37.718 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.119 3.748 -35.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.693 4.438 -36.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.575 3.732 -37.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.267 2.100 -36.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.748 1.680 -36.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.862 2.364 -35.164 1.00 0.00 H new ATOM 530 N PHE A 37 -9.706 8.148 -33.905 1.00 0.00 N ATOM 531 CA PHE A 37 -8.487 8.325 -33.125 1.00 0.00 C ATOM 532 C PHE A 37 -8.226 7.110 -32.240 1.00 0.00 C ATOM 533 O PHE A 37 -8.768 7.003 -31.140 1.00 0.00 O ATOM 534 CB PHE A 37 -8.586 9.586 -32.264 1.00 0.00 C ATOM 535 CG PHE A 37 -9.061 10.794 -33.022 1.00 0.00 C ATOM 536 CD1 PHE A 37 -10.415 11.056 -33.155 1.00 0.00 C ATOM 537 CD2 PHE A 37 -8.153 11.666 -33.600 1.00 0.00 C ATOM 538 CE1 PHE A 37 -10.855 12.166 -33.851 1.00 0.00 C ATOM 539 CE2 PHE A 37 -8.587 12.778 -34.297 1.00 0.00 C ATOM 540 CZ PHE A 37 -9.940 13.027 -34.424 1.00 0.00 C ATOM 0 H PHE A 37 -10.555 8.465 -33.438 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.654 8.432 -33.819 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.267 9.397 -31.434 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.608 9.799 -31.832 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.135 10.385 -32.710 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.094 11.475 -33.505 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.913 12.360 -33.947 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.869 13.451 -34.742 1.00 0.00 H new ATOM 0 HZ PHE A 37 -10.281 13.894 -34.971 1.00 0.00 H new ATOM 550 N ALA A 38 -7.393 6.198 -32.728 1.00 0.00 N ATOM 551 CA ALA A 38 -7.059 4.991 -31.981 1.00 0.00 C ATOM 552 C ALA A 38 -6.208 5.320 -30.759 1.00 0.00 C ATOM 553 O ALA A 38 -5.436 6.279 -30.767 1.00 0.00 O ATOM 554 CB ALA A 38 -6.335 3.999 -32.879 1.00 0.00 C ATOM 0 H ALA A 38 -6.937 6.271 -33.637 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.988 4.539 -31.633 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.091 3.103 -32.309 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.977 3.732 -33.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.417 4.451 -33.254 1.00 0.00 H new ATOM 560 N CYS A 39 -6.355 4.519 -29.709 1.00 0.00 N ATOM 561 CA CYS A 39 -5.602 4.725 -28.478 1.00 0.00 C ATOM 562 C CYS A 39 -4.138 4.336 -28.664 1.00 0.00 C ATOM 563 O CYS A 39 -3.831 3.313 -29.277 1.00 0.00 O ATOM 564 CB CYS A 39 -6.216 3.912 -27.337 1.00 0.00 C ATOM 565 SG CYS A 39 -5.323 4.055 -25.756 1.00 0.00 S ATOM 0 H CYS A 39 -6.989 3.721 -29.686 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.649 5.784 -28.226 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.247 4.234 -27.190 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.249 2.863 -27.630 1.00 0.00 H new ATOM 570 N ASP A 40 -3.241 5.158 -28.132 1.00 0.00 N ATOM 571 CA ASP A 40 -1.810 4.899 -28.238 1.00 0.00 C ATOM 572 C ASP A 40 -1.343 3.962 -27.129 1.00 0.00 C ATOM 573 O ASP A 40 -0.157 3.914 -26.801 1.00 0.00 O ATOM 574 CB ASP A 40 -1.027 6.212 -28.177 1.00 0.00 C ATOM 575 CG ASP A 40 -0.779 6.802 -29.551 1.00 0.00 C ATOM 576 OD1 ASP A 40 -1.524 6.454 -30.491 1.00 0.00 O ATOM 577 OD2 ASP A 40 0.160 7.614 -29.687 1.00 0.00 O ATOM 0 H ASP A 40 -3.479 6.009 -27.623 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.623 4.417 -29.198 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.576 6.931 -27.570 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.072 6.039 -27.681 1.00 0.00 H new ATOM 582 N TYR A 41 -2.283 3.220 -26.554 1.00 0.00 N ATOM 583 CA TYR A 41 -1.969 2.287 -25.478 1.00 0.00 C ATOM 584 C TYR A 41 -2.539 0.903 -25.774 1.00 0.00 C ATOM 585 O TYR A 41 -1.942 -0.115 -25.423 1.00 0.00 O ATOM 586 CB TYR A 41 -2.520 2.805 -24.149 1.00 0.00 C ATOM 587 CG TYR A 41 -1.979 4.160 -23.755 1.00 0.00 C ATOM 588 CD1 TYR A 41 -2.297 5.297 -24.488 1.00 0.00 C ATOM 589 CD2 TYR A 41 -1.150 4.305 -22.649 1.00 0.00 C ATOM 590 CE1 TYR A 41 -1.804 6.537 -24.132 1.00 0.00 C ATOM 591 CE2 TYR A 41 -0.653 5.541 -22.286 1.00 0.00 C ATOM 592 CZ TYR A 41 -0.983 6.655 -23.030 1.00 0.00 C ATOM 593 OH TYR A 41 -0.490 7.889 -22.672 1.00 0.00 O ATOM 0 H TYR A 41 -3.269 3.246 -26.815 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.884 2.205 -25.406 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.607 2.862 -24.214 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.285 2.087 -23.363 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.941 5.209 -25.351 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.890 3.436 -22.063 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.060 7.410 -24.714 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.009 5.635 -21.424 1.00 0.00 H new ATOM 0 HH TYR A 41 0.070 7.798 -21.873 1.00 0.00 H new ATOM 603 N CYS A 42 -3.698 0.874 -26.424 1.00 0.00 N ATOM 604 CA CYS A 42 -4.350 -0.383 -26.768 1.00 0.00 C ATOM 605 C CYS A 42 -5.030 -0.287 -28.131 1.00 0.00 C ATOM 606 O CYS A 42 -4.918 0.725 -28.822 1.00 0.00 O ATOM 607 CB CYS A 42 -5.379 -0.758 -25.699 1.00 0.00 C ATOM 608 SG CYS A 42 -6.775 0.405 -25.570 1.00 0.00 S ATOM 0 H CYS A 42 -4.205 1.707 -26.723 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.586 -1.159 -26.815 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.768 -1.753 -25.917 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.878 -0.816 -24.733 1.00 0.00 H new ATOM 613 N SER A 43 -5.734 -1.349 -28.511 1.00 0.00 N ATOM 614 CA SER A 43 -6.428 -1.386 -29.793 1.00 0.00 C ATOM 615 C SER A 43 -7.794 -0.713 -29.691 1.00 0.00 C ATOM 616 O SER A 43 -8.765 -1.159 -30.302 1.00 0.00 O ATOM 617 CB SER A 43 -6.594 -2.832 -30.265 1.00 0.00 C ATOM 618 OG SER A 43 -7.101 -2.882 -31.587 1.00 0.00 O ATOM 0 H SER A 43 -5.839 -2.194 -27.950 1.00 0.00 H new ATOM 0 HA SER A 43 -5.826 -0.840 -30.520 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.633 -3.345 -30.221 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.269 -3.362 -29.593 1.00 0.00 H new ATOM 0 HG SER A 43 -7.895 -2.311 -31.655 1.00 0.00 H new ATOM 624 N PHE A 44 -7.859 0.363 -28.914 1.00 0.00 N ATOM 625 CA PHE A 44 -9.105 1.099 -28.730 1.00 0.00 C ATOM 626 C PHE A 44 -9.249 2.196 -29.781 1.00 0.00 C ATOM 627 O PHE A 44 -8.261 2.654 -30.357 1.00 0.00 O ATOM 628 CB PHE A 44 -9.159 1.709 -27.328 1.00 0.00 C ATOM 629 CG PHE A 44 -10.311 2.651 -27.129 1.00 0.00 C ATOM 630 CD1 PHE A 44 -11.558 2.173 -26.760 1.00 0.00 C ATOM 631 CD2 PHE A 44 -10.148 4.015 -27.310 1.00 0.00 C ATOM 632 CE1 PHE A 44 -12.621 3.037 -26.577 1.00 0.00 C ATOM 633 CE2 PHE A 44 -11.207 4.885 -27.127 1.00 0.00 C ATOM 634 CZ PHE A 44 -12.445 4.395 -26.759 1.00 0.00 C ATOM 0 H PHE A 44 -7.064 0.745 -28.402 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.932 0.399 -28.846 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.225 0.906 -26.593 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.227 2.241 -27.136 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.701 1.113 -26.614 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.182 4.403 -27.597 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.588 2.651 -26.292 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.066 5.946 -27.272 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.274 5.072 -26.614 1.00 0.00 H new ATOM 644 N THR A 45 -10.487 2.613 -30.026 1.00 0.00 N ATOM 645 CA THR A 45 -10.762 3.654 -31.008 1.00 0.00 C ATOM 646 C THR A 45 -12.014 4.442 -30.638 1.00 0.00 C ATOM 647 O THR A 45 -12.912 3.922 -29.974 1.00 0.00 O ATOM 648 CB THR A 45 -10.940 3.063 -32.419 1.00 0.00 C ATOM 649 OG1 THR A 45 -11.803 1.922 -32.368 1.00 0.00 O ATOM 650 CG2 THR A 45 -9.597 2.663 -33.011 1.00 0.00 C ATOM 0 H THR A 45 -11.315 2.246 -29.558 1.00 0.00 H new ATOM 0 HA THR A 45 -9.901 4.323 -31.008 1.00 0.00 H new ATOM 0 HB THR A 45 -11.387 3.827 -33.055 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.912 1.554 -33.270 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.748 2.248 -34.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.953 3.540 -33.076 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.127 1.914 -32.374 1.00 0.00 H new ATOM 658 N CYS A 46 -12.068 5.696 -31.072 1.00 0.00 N ATOM 659 CA CYS A 46 -13.211 6.555 -30.787 1.00 0.00 C ATOM 660 C CYS A 46 -13.388 7.606 -31.878 1.00 0.00 C ATOM 661 O CYS A 46 -12.435 7.964 -32.571 1.00 0.00 O ATOM 662 CB CYS A 46 -13.036 7.238 -29.429 1.00 0.00 C ATOM 663 SG CYS A 46 -14.565 7.914 -28.740 1.00 0.00 S ATOM 0 H CYS A 46 -11.333 6.140 -31.623 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.104 5.931 -30.760 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.619 6.519 -28.724 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -12.309 8.043 -29.530 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.600 7.691 -27.460 1.00 0.00 H new ATOM 669 N LEU A 47 -14.614 8.095 -32.027 1.00 0.00 N ATOM 670 CA LEU A 47 -14.917 9.104 -33.037 1.00 0.00 C ATOM 671 C LEU A 47 -14.887 10.505 -32.433 1.00 0.00 C ATOM 672 O LEU A 47 -15.702 11.359 -32.780 1.00 0.00 O ATOM 673 CB LEU A 47 -16.288 8.835 -33.660 1.00 0.00 C ATOM 674 CG LEU A 47 -16.302 7.909 -34.876 1.00 0.00 C ATOM 675 CD1 LEU A 47 -15.433 8.476 -35.988 1.00 0.00 C ATOM 676 CD2 LEU A 47 -15.834 6.513 -34.490 1.00 0.00 C ATOM 0 H LEU A 47 -15.414 7.810 -31.462 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.154 9.046 -33.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.935 8.406 -32.895 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.727 9.790 -33.950 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.326 7.838 -35.243 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.455 7.804 -36.846 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.813 9.454 -36.284 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.408 8.577 -35.633 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.851 5.868 -35.368 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.819 6.565 -34.097 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.497 6.105 -33.727 1.00 0.00 H new ATOM 688 N SER A 48 -13.940 10.733 -31.528 1.00 0.00 N ATOM 689 CA SER A 48 -13.805 12.029 -30.875 1.00 0.00 C ATOM 690 C SER A 48 -12.452 12.147 -30.178 1.00 0.00 C ATOM 691 O SER A 48 -12.043 11.255 -29.435 1.00 0.00 O ATOM 692 CB SER A 48 -14.932 12.234 -29.861 1.00 0.00 C ATOM 693 OG SER A 48 -16.082 12.782 -30.482 1.00 0.00 O ATOM 0 H SER A 48 -13.256 10.037 -31.231 1.00 0.00 H new ATOM 0 HA SER A 48 -13.870 12.802 -31.641 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.185 11.281 -29.396 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.593 12.897 -29.065 1.00 0.00 H new ATOM 0 HG SER A 48 -16.177 12.408 -31.383 1.00 0.00 H new ATOM 699 N LYS A 49 -11.762 13.256 -30.423 1.00 0.00 N ATOM 700 CA LYS A 49 -10.456 13.495 -29.820 1.00 0.00 C ATOM 701 C LYS A 49 -10.568 13.593 -28.302 1.00 0.00 C ATOM 702 O LYS A 49 -9.914 12.849 -27.572 1.00 0.00 O ATOM 703 CB LYS A 49 -9.839 14.777 -30.382 1.00 0.00 C ATOM 704 CG LYS A 49 -10.237 15.066 -31.819 1.00 0.00 C ATOM 705 CD LYS A 49 -9.392 16.177 -32.419 1.00 0.00 C ATOM 706 CE LYS A 49 -8.013 15.675 -32.818 1.00 0.00 C ATOM 707 NZ LYS A 49 -7.032 16.788 -32.941 1.00 0.00 N ATOM 0 H LYS A 49 -12.086 14.004 -31.036 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.810 12.652 -30.065 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.136 15.618 -29.756 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.753 14.704 -30.323 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.128 14.161 -32.417 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.289 15.347 -31.856 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.897 16.588 -33.293 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.291 16.988 -31.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.659 14.959 -32.077 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.081 15.144 -33.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.105 16.405 -33.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.357 17.459 -33.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.948 17.279 -32.028 1.00 0.00 H new ATOM 721 N GLY A 50 -11.402 14.517 -27.833 1.00 0.00 N ATOM 722 CA GLY A 50 -11.585 14.694 -26.405 1.00 0.00 C ATOM 723 C GLY A 50 -11.921 13.397 -25.697 1.00 0.00 C ATOM 724 O GLY A 50 -11.334 13.074 -24.664 1.00 0.00 O ATOM 0 H GLY A 50 -11.954 15.146 -28.417 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.676 15.114 -25.975 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.383 15.416 -26.231 1.00 0.00 H new ATOM 728 N HIS A 51 -12.870 12.650 -26.253 1.00 0.00 N ATOM 729 CA HIS A 51 -13.285 11.380 -25.668 1.00 0.00 C ATOM 730 C HIS A 51 -12.100 10.427 -25.542 1.00 0.00 C ATOM 731 O HIS A 51 -11.869 9.844 -24.482 1.00 0.00 O ATOM 732 CB HIS A 51 -14.383 10.738 -26.517 1.00 0.00 C ATOM 733 CG HIS A 51 -15.765 11.176 -26.140 1.00 0.00 C ATOM 734 ND1 HIS A 51 -16.848 11.056 -26.984 1.00 0.00 N ATOM 735 CD2 HIS A 51 -16.237 11.735 -25.001 1.00 0.00 C ATOM 736 CE1 HIS A 51 -17.927 11.524 -26.381 1.00 0.00 C ATOM 737 NE2 HIS A 51 -17.583 11.941 -25.176 1.00 0.00 N ATOM 0 H HIS A 51 -13.366 12.902 -27.108 1.00 0.00 H new ATOM 0 HA HIS A 51 -13.677 11.578 -24.670 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.208 10.979 -27.565 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.316 9.654 -26.424 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.662 11.974 -24.119 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.921 11.559 -26.802 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.215 12.350 -24.487 1.00 0.00 H new ATOM 745 N LEU A 52 -11.353 10.273 -26.629 1.00 0.00 N ATOM 746 CA LEU A 52 -10.192 9.390 -26.641 1.00 0.00 C ATOM 747 C LEU A 52 -9.337 9.599 -25.395 1.00 0.00 C ATOM 748 O LEU A 52 -8.887 8.639 -24.769 1.00 0.00 O ATOM 749 CB LEU A 52 -9.353 9.635 -27.896 1.00 0.00 C ATOM 750 CG LEU A 52 -7.929 9.079 -27.871 1.00 0.00 C ATOM 751 CD1 LEU A 52 -7.949 7.566 -27.714 1.00 0.00 C ATOM 752 CD2 LEU A 52 -7.178 9.476 -29.134 1.00 0.00 C ATOM 0 H LEU A 52 -11.530 10.748 -27.514 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.549 8.360 -26.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.876 9.201 -28.749 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.299 10.710 -28.068 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.408 9.506 -27.014 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.927 7.188 -27.698 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.447 7.304 -26.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.488 7.120 -28.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.167 9.071 -29.098 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.697 9.079 -30.006 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.132 10.563 -29.203 1.00 0.00 H new ATOM 764 N LYS A 53 -9.117 10.860 -25.039 1.00 0.00 N ATOM 765 CA LYS A 53 -8.319 11.197 -23.866 1.00 0.00 C ATOM 766 C LYS A 53 -8.884 10.533 -22.615 1.00 0.00 C ATOM 767 O LYS A 53 -8.165 9.854 -21.881 1.00 0.00 O ATOM 768 CB LYS A 53 -8.271 12.714 -23.674 1.00 0.00 C ATOM 769 CG LYS A 53 -8.238 13.142 -22.217 1.00 0.00 C ATOM 770 CD LYS A 53 -9.625 13.496 -21.708 1.00 0.00 C ATOM 771 CE LYS A 53 -9.893 14.990 -21.811 1.00 0.00 C ATOM 772 NZ LYS A 53 -10.504 15.356 -23.118 1.00 0.00 N ATOM 0 H LYS A 53 -9.481 11.666 -25.547 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.307 10.826 -24.028 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.390 13.108 -24.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.141 13.160 -24.156 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.821 12.338 -21.610 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.578 14.002 -22.104 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.374 12.951 -22.282 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.725 13.178 -20.670 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.556 15.296 -21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.959 15.536 -21.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.821 15.904 -23.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.762 14.491 -23.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.356 15.929 -22.954 1.00 0.00 H new ATOM 786 N VAL A 54 -10.177 10.732 -22.378 1.00 0.00 N ATOM 787 CA VAL A 54 -10.839 10.150 -21.216 1.00 0.00 C ATOM 788 C VAL A 54 -10.538 8.660 -21.101 1.00 0.00 C ATOM 789 O VAL A 54 -10.239 8.157 -20.018 1.00 0.00 O ATOM 790 CB VAL A 54 -12.365 10.351 -21.281 1.00 0.00 C ATOM 791 CG1 VAL A 54 -13.048 9.628 -20.130 1.00 0.00 C ATOM 792 CG2 VAL A 54 -12.707 11.833 -21.269 1.00 0.00 C ATOM 0 H VAL A 54 -10.786 11.291 -22.975 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.449 10.665 -20.338 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.732 9.924 -22.215 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.125 9.781 -20.192 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.829 8.562 -20.189 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.680 10.022 -19.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.789 11.957 -21.315 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.329 12.286 -20.353 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.249 12.319 -22.130 1.00 0.00 H new ATOM 802 N HIS A 55 -10.620 7.957 -22.226 1.00 0.00 N ATOM 803 CA HIS A 55 -10.356 6.522 -22.253 1.00 0.00 C ATOM 804 C HIS A 55 -9.015 6.205 -21.596 1.00 0.00 C ATOM 805 O HIS A 55 -8.882 5.208 -20.886 1.00 0.00 O ATOM 806 CB HIS A 55 -10.367 6.007 -23.692 1.00 0.00 C ATOM 807 CG HIS A 55 -9.609 4.728 -23.876 1.00 0.00 C ATOM 808 ND1 HIS A 55 -10.170 3.485 -23.671 1.00 0.00 N ATOM 809 CD2 HIS A 55 -8.327 4.504 -24.249 1.00 0.00 C ATOM 810 CE1 HIS A 55 -9.265 2.552 -23.909 1.00 0.00 C ATOM 811 NE2 HIS A 55 -8.138 3.144 -24.262 1.00 0.00 N ATOM 0 H HIS A 55 -10.867 8.357 -23.131 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.144 6.021 -21.691 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.399 5.857 -24.008 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.942 6.769 -24.345 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.133 3.313 -23.381 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.590 5.255 -24.491 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.420 1.486 -23.829 1.00 0.00 H new ATOM 819 N ILE A 56 -8.026 7.058 -21.840 1.00 0.00 N ATOM 820 CA ILE A 56 -6.697 6.868 -21.272 1.00 0.00 C ATOM 821 C ILE A 56 -6.652 7.320 -19.816 1.00 0.00 C ATOM 822 O ILE A 56 -5.850 6.822 -19.027 1.00 0.00 O ATOM 823 CB ILE A 56 -5.629 7.638 -22.070 1.00 0.00 C ATOM 824 CG1 ILE A 56 -5.578 7.134 -23.514 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.267 7.497 -21.406 1.00 0.00 C ATOM 826 CD1 ILE A 56 -4.986 8.134 -24.483 1.00 0.00 C ATOM 0 H ILE A 56 -8.120 7.887 -22.427 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.480 5.801 -21.326 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.898 8.694 -22.083 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.992 6.216 -23.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.588 6.881 -23.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.523 8.047 -21.982 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.312 7.899 -20.394 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.989 6.444 -21.366 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.982 7.709 -25.487 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.585 9.045 -24.477 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.965 8.369 -24.184 1.00 0.00 H new ATOM 838 N GLU A 57 -7.519 8.265 -19.468 1.00 0.00 N ATOM 839 CA GLU A 57 -7.578 8.783 -18.106 1.00 0.00 C ATOM 840 C GLU A 57 -8.439 7.888 -17.220 1.00 0.00 C ATOM 841 O GLU A 57 -8.469 8.048 -16.000 1.00 0.00 O ATOM 842 CB GLU A 57 -8.134 10.209 -18.102 1.00 0.00 C ATOM 843 CG GLU A 57 -7.393 11.153 -19.035 1.00 0.00 C ATOM 844 CD GLU A 57 -6.246 11.870 -18.349 1.00 0.00 C ATOM 845 OE1 GLU A 57 -5.679 11.303 -17.392 1.00 0.00 O ATOM 846 OE2 GLU A 57 -5.916 12.998 -18.771 1.00 0.00 O ATOM 0 H GLU A 57 -8.190 8.687 -20.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.564 8.795 -17.705 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.186 10.181 -18.387 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.089 10.605 -17.087 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.008 10.590 -19.885 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.092 11.890 -19.431 1.00 0.00 H new ATOM 853 N ARG A 58 -9.139 6.945 -17.844 1.00 0.00 N ATOM 854 CA ARG A 58 -10.002 6.025 -17.113 1.00 0.00 C ATOM 855 C ARG A 58 -9.477 4.596 -17.208 1.00 0.00 C ATOM 856 O ARG A 58 -9.545 3.833 -16.245 1.00 0.00 O ATOM 857 CB ARG A 58 -11.431 6.093 -17.657 1.00 0.00 C ATOM 858 CG ARG A 58 -11.690 5.135 -18.808 1.00 0.00 C ATOM 859 CD ARG A 58 -12.876 5.582 -19.648 1.00 0.00 C ATOM 860 NE ARG A 58 -14.143 5.412 -18.941 1.00 0.00 N ATOM 861 CZ ARG A 58 -14.730 4.234 -18.757 1.00 0.00 C ATOM 862 NH1 ARG A 58 -14.167 3.129 -19.226 1.00 0.00 N ATOM 863 NH2 ARG A 58 -15.882 4.161 -18.103 1.00 0.00 N ATOM 0 H ARG A 58 -9.125 6.799 -18.853 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.005 6.323 -16.065 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.129 5.874 -16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.636 7.111 -17.989 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.802 5.070 -19.436 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.877 4.135 -18.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.752 6.630 -19.922 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.899 5.010 -20.576 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.602 6.243 -18.568 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.281 3.182 -19.729 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.619 2.226 -19.083 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.318 5.009 -17.741 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.332 3.257 -17.962 1.00 0.00 H new ATOM 877 N VAL A 59 -8.954 4.239 -18.377 1.00 0.00 N ATOM 878 CA VAL A 59 -8.417 2.902 -18.599 1.00 0.00 C ATOM 879 C VAL A 59 -6.937 2.837 -18.239 1.00 0.00 C ATOM 880 O VAL A 59 -6.544 2.136 -17.306 1.00 0.00 O ATOM 881 CB VAL A 59 -8.598 2.460 -20.063 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.987 1.084 -20.285 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.071 2.466 -20.443 1.00 0.00 C ATOM 0 H VAL A 59 -8.891 4.858 -19.185 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.975 2.226 -17.952 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.078 3.170 -20.706 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.125 0.788 -21.325 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.922 1.117 -20.055 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.476 0.359 -19.634 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.180 2.151 -21.481 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.616 1.779 -19.796 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.473 3.472 -20.325 1.00 0.00 H new ATOM 893 N HIS A 60 -6.120 3.575 -18.984 1.00 0.00 N ATOM 894 CA HIS A 60 -4.682 3.602 -18.743 1.00 0.00 C ATOM 895 C HIS A 60 -4.308 4.756 -17.817 1.00 0.00 C ATOM 896 O HIS A 60 -3.323 5.458 -18.048 1.00 0.00 O ATOM 897 CB HIS A 60 -3.924 3.728 -20.065 1.00 0.00 C ATOM 898 CG HIS A 60 -4.462 2.847 -21.150 1.00 0.00 C ATOM 899 ND1 HIS A 60 -4.166 1.503 -21.244 1.00 0.00 N ATOM 900 CD2 HIS A 60 -5.282 3.124 -22.190 1.00 0.00 C ATOM 901 CE1 HIS A 60 -4.780 0.992 -22.296 1.00 0.00 C ATOM 902 NE2 HIS A 60 -5.465 1.955 -22.887 1.00 0.00 N ATOM 0 H HIS A 60 -6.429 4.162 -19.759 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.402 2.666 -18.260 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.961 4.765 -20.398 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.875 3.485 -19.897 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.567 0.985 -20.602 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.712 4.086 -22.428 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.731 -0.038 -22.618 1.00 0.00 H new ATOM 910 N LYS A 61 -5.102 4.948 -16.769 1.00 0.00 N ATOM 911 CA LYS A 61 -4.855 6.016 -15.807 1.00 0.00 C ATOM 912 C LYS A 61 -3.796 5.599 -14.791 1.00 0.00 C ATOM 913 O LYS A 61 -3.755 4.448 -14.358 1.00 0.00 O ATOM 914 CB LYS A 61 -6.152 6.388 -15.084 1.00 0.00 C ATOM 915 CG LYS A 61 -6.064 7.693 -14.313 1.00 0.00 C ATOM 916 CD LYS A 61 -5.606 7.466 -12.882 1.00 0.00 C ATOM 917 CE LYS A 61 -6.779 7.168 -11.961 1.00 0.00 C ATOM 918 NZ LYS A 61 -7.372 8.413 -11.398 1.00 0.00 N ATOM 0 H LYS A 61 -5.922 4.378 -16.564 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.487 6.885 -16.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.958 6.461 -15.815 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.418 5.586 -14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.370 8.367 -14.815 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.038 8.182 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.899 6.637 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.076 8.349 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.543 6.619 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.447 6.523 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.168 8.168 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.650 8.925 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.712 9.017 -12.173 1.00 0.00 H new ATOM 932 N LYS A 62 -2.941 6.544 -14.414 1.00 0.00 N ATOM 933 CA LYS A 62 -1.883 6.277 -13.447 1.00 0.00 C ATOM 934 C LYS A 62 -1.022 5.100 -13.894 1.00 0.00 C ATOM 935 O LYS A 62 -0.850 4.130 -13.155 1.00 0.00 O ATOM 936 CB LYS A 62 -2.484 5.989 -12.069 1.00 0.00 C ATOM 937 CG LYS A 62 -2.738 7.238 -11.243 1.00 0.00 C ATOM 938 CD LYS A 62 -1.476 7.705 -10.536 1.00 0.00 C ATOM 939 CE LYS A 62 -1.785 8.751 -9.476 1.00 0.00 C ATOM 940 NZ LYS A 62 -1.769 10.131 -10.036 1.00 0.00 N ATOM 0 H LYS A 62 -2.960 7.502 -14.764 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.251 7.163 -13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.423 5.451 -12.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.812 5.330 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.110 8.033 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.516 7.036 -10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.980 6.852 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.781 8.120 -11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.763 8.548 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.055 8.678 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.984 10.814 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.828 10.335 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.483 10.209 -10.788 1.00 0.00 H new ATOM 954 N ILE A 63 -0.483 5.194 -15.104 1.00 0.00 N ATOM 955 CA ILE A 63 0.362 4.138 -15.647 1.00 0.00 C ATOM 956 C ILE A 63 1.832 4.392 -15.329 1.00 0.00 C ATOM 957 O ILE A 63 2.278 5.538 -15.274 1.00 0.00 O ATOM 958 CB ILE A 63 0.194 4.009 -17.173 1.00 0.00 C ATOM 959 CG1 ILE A 63 0.908 2.757 -17.683 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.727 5.252 -17.871 1.00 0.00 C ATOM 961 CD1 ILE A 63 0.258 2.146 -18.905 1.00 0.00 C ATOM 0 H ILE A 63 -0.616 5.990 -15.727 1.00 0.00 H new ATOM 0 HA ILE A 63 0.045 3.208 -15.175 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.868 3.916 -17.400 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.942 3.009 -17.919 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.935 2.014 -16.886 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.602 5.146 -18.949 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.177 6.127 -17.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.785 5.374 -17.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.818 1.262 -19.211 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.767 1.862 -18.668 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.255 2.873 -19.717 1.00 0.00 H new ATOM 973 N LYS A 64 2.582 3.314 -15.122 1.00 0.00 N ATOM 974 CA LYS A 64 4.003 3.418 -14.812 1.00 0.00 C ATOM 975 C LYS A 64 4.852 2.990 -16.005 1.00 0.00 C ATOM 976 O LYS A 64 5.058 1.799 -16.234 1.00 0.00 O ATOM 977 CB LYS A 64 4.344 2.558 -13.594 1.00 0.00 C ATOM 978 CG LYS A 64 4.026 1.085 -13.781 1.00 0.00 C ATOM 979 CD LYS A 64 3.734 0.405 -12.454 1.00 0.00 C ATOM 980 CE LYS A 64 4.997 -0.169 -11.831 1.00 0.00 C ATOM 981 NZ LYS A 64 5.623 -1.204 -12.700 1.00 0.00 N ATOM 0 H LYS A 64 2.229 2.358 -15.163 1.00 0.00 H new ATOM 0 HA LYS A 64 4.226 4.461 -14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.405 2.666 -13.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.795 2.933 -12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.166 0.979 -14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.866 0.589 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.283 1.122 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.007 -0.393 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.711 0.635 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.758 -0.605 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.133 -1.891 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.884 -1.695 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.290 -0.749 -13.356 1.00 0.00 H new ATOM 995 N GLN A 65 5.343 3.969 -16.758 1.00 0.00 N ATOM 996 CA GLN A 65 6.170 3.691 -17.926 1.00 0.00 C ATOM 997 C GLN A 65 7.386 2.852 -17.545 1.00 0.00 C ATOM 998 O GLN A 65 8.194 3.256 -16.709 1.00 0.00 O ATOM 999 CB GLN A 65 6.623 4.999 -18.579 1.00 0.00 C ATOM 1000 CG GLN A 65 5.474 5.853 -19.089 1.00 0.00 C ATOM 1001 CD GLN A 65 4.705 5.187 -20.213 1.00 0.00 C ATOM 1002 OE1 GLN A 65 3.987 4.210 -19.995 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.850 5.713 -21.423 1.00 0.00 N ATOM 0 H GLN A 65 5.183 4.961 -16.580 1.00 0.00 H new ATOM 0 HA GLN A 65 5.570 3.125 -18.639 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.200 5.575 -17.856 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.290 4.769 -19.409 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.793 6.068 -18.266 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.864 6.809 -19.438 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.455 6.523 -21.558 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.356 5.307 -22.218 1.00 0.00 H new ATOM 1012 N HIS A 66 7.509 1.682 -18.164 1.00 0.00 N ATOM 1013 CA HIS A 66 8.626 0.786 -17.890 1.00 0.00 C ATOM 1014 C HIS A 66 9.545 0.677 -19.102 1.00 0.00 C ATOM 1015 O HIS A 66 9.132 0.221 -20.169 1.00 0.00 O ATOM 1016 CB HIS A 66 8.112 -0.600 -17.499 1.00 0.00 C ATOM 1017 CG HIS A 66 7.068 -1.136 -18.429 1.00 0.00 C ATOM 1018 ND1 HIS A 66 5.715 -0.998 -18.202 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.185 -1.811 -19.596 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.044 -1.567 -19.188 1.00 0.00 C ATOM 1021 NE2 HIS A 66 5.913 -2.068 -20.047 1.00 0.00 N ATOM 0 H HIS A 66 6.849 1.333 -18.859 1.00 0.00 H new ATOM 0 HA HIS A 66 9.197 1.201 -17.059 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.951 -1.295 -17.469 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.700 -0.555 -16.491 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.107 -2.095 -20.082 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.969 -1.614 -19.276 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.678 -2.565 -20.906 1.00 0.00 H new ATOM 1029 N CYS A 67 10.794 1.099 -18.932 1.00 0.00 N ATOM 1030 CA CYS A 67 11.772 1.050 -20.012 1.00 0.00 C ATOM 1031 C CYS A 67 11.764 -0.316 -20.693 1.00 0.00 C ATOM 1032 O CYS A 67 11.329 -1.309 -20.109 1.00 0.00 O ATOM 1033 CB CYS A 67 13.172 1.355 -19.475 1.00 0.00 C ATOM 1034 SG CYS A 67 14.341 1.948 -20.740 1.00 0.00 S ATOM 0 H CYS A 67 11.152 1.479 -18.056 1.00 0.00 H new ATOM 0 HA CYS A 67 11.499 1.806 -20.749 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.092 2.106 -18.689 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.577 0.454 -19.015 1.00 0.00 H new ATOM 1039 N ARG A 68 12.247 -0.357 -21.930 1.00 0.00 N ATOM 1040 CA ARG A 68 12.294 -1.600 -22.690 1.00 0.00 C ATOM 1041 C ARG A 68 13.712 -2.166 -22.720 1.00 0.00 C ATOM 1042 O ARG A 68 13.914 -3.348 -22.998 1.00 0.00 O ATOM 1043 CB ARG A 68 11.796 -1.369 -24.118 1.00 0.00 C ATOM 1044 CG ARG A 68 12.197 -2.468 -25.089 1.00 0.00 C ATOM 1045 CD ARG A 68 13.536 -2.171 -25.744 1.00 0.00 C ATOM 1046 NE ARG A 68 14.109 -3.355 -26.380 1.00 0.00 N ATOM 1047 CZ ARG A 68 13.641 -3.882 -27.506 1.00 0.00 C ATOM 1048 NH1 ARG A 68 12.600 -3.334 -28.117 1.00 0.00 N ATOM 1049 NH2 ARG A 68 14.216 -4.961 -28.023 1.00 0.00 N ATOM 0 H ARG A 68 12.611 0.456 -22.427 1.00 0.00 H new ATOM 0 HA ARG A 68 11.643 -2.322 -22.198 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.709 -1.286 -24.106 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.185 -0.417 -24.480 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.252 -3.420 -24.560 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.431 -2.574 -25.857 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.409 -1.385 -26.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.230 -1.791 -24.994 1.00 0.00 H new ATOM 0 HE ARG A 68 14.912 -3.801 -25.936 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.156 -2.505 -27.723 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.243 -3.741 -28.981 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.017 -5.385 -27.556 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.857 -5.366 -28.888 1.00 0.00 H new ATOM 1063 N PHE A 69 14.689 -1.313 -22.434 1.00 0.00 N ATOM 1064 CA PHE A 69 16.088 -1.727 -22.429 1.00 0.00 C ATOM 1065 C PHE A 69 16.487 -2.280 -21.064 1.00 0.00 C ATOM 1066 O PHE A 69 16.918 -3.427 -20.949 1.00 0.00 O ATOM 1067 CB PHE A 69 16.991 -0.548 -22.799 1.00 0.00 C ATOM 1068 CG PHE A 69 16.444 0.302 -23.909 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.059 -0.269 -25.112 1.00 0.00 C ATOM 1070 CD2 PHE A 69 16.313 1.672 -23.750 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.556 0.511 -26.135 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.809 2.458 -24.770 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.429 1.876 -25.964 1.00 0.00 C ATOM 0 H PHE A 69 14.539 -0.331 -22.203 1.00 0.00 H new ATOM 0 HA PHE A 69 16.211 -2.517 -23.170 1.00 0.00 H new ATOM 0 HB2 PHE A 69 17.142 0.074 -21.917 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.969 -0.928 -23.092 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.153 -1.336 -25.251 1.00 0.00 H new ATOM 0 HD2 PHE A 69 16.608 2.132 -22.818 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.262 0.054 -27.068 1.00 0.00 H new ATOM 0 HE2 PHE A 69 15.713 3.525 -24.633 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.033 2.487 -26.762 1.00 0.00 H new ATOM 1083 N CYS A 70 16.341 -1.455 -20.033 1.00 0.00 N ATOM 1084 CA CYS A 70 16.686 -1.859 -18.675 1.00 0.00 C ATOM 1085 C CYS A 70 15.440 -2.266 -17.895 1.00 0.00 C ATOM 1086 O CYS A 70 15.459 -2.341 -16.666 1.00 0.00 O ATOM 1087 CB CYS A 70 17.407 -0.721 -17.950 1.00 0.00 C ATOM 1088 SG CYS A 70 16.401 0.784 -17.744 1.00 0.00 S ATOM 0 H CYS A 70 15.986 -0.502 -20.112 1.00 0.00 H new ATOM 0 HA CYS A 70 17.351 -2.720 -18.737 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.722 -1.072 -16.967 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.312 -0.468 -18.503 1.00 0.00 H new ATOM 1093 N LYS A 71 14.356 -2.528 -18.617 1.00 0.00 N ATOM 1094 CA LYS A 71 13.100 -2.929 -17.995 1.00 0.00 C ATOM 1095 C LYS A 71 12.917 -2.242 -16.645 1.00 0.00 C ATOM 1096 O LYS A 71 12.435 -2.848 -15.688 1.00 0.00 O ATOM 1097 CB LYS A 71 13.057 -4.449 -17.815 1.00 0.00 C ATOM 1098 CG LYS A 71 12.526 -5.190 -19.030 1.00 0.00 C ATOM 1099 CD LYS A 71 11.043 -4.928 -19.238 1.00 0.00 C ATOM 1100 CE LYS A 71 10.480 -5.779 -20.366 1.00 0.00 C ATOM 1101 NZ LYS A 71 9.048 -5.469 -20.633 1.00 0.00 N ATOM 0 H LYS A 71 14.322 -2.470 -19.635 1.00 0.00 H new ATOM 0 HA LYS A 71 12.286 -2.624 -18.652 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.061 -4.809 -17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.433 -4.687 -16.953 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.079 -4.880 -19.917 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.694 -6.260 -18.907 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.502 -5.140 -18.316 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.887 -3.873 -19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.063 -5.613 -21.272 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.582 -6.834 -20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.701 -6.070 -21.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.488 -5.652 -19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.954 -4.469 -20.901 1.00 0.00 H new ATOM 1115 N LYS A 72 13.305 -0.974 -16.575 1.00 0.00 N ATOM 1116 CA LYS A 72 13.183 -0.202 -15.344 1.00 0.00 C ATOM 1117 C LYS A 72 12.003 0.761 -15.420 1.00 0.00 C ATOM 1118 O LYS A 72 11.945 1.619 -16.301 1.00 0.00 O ATOM 1119 CB LYS A 72 14.473 0.575 -15.074 1.00 0.00 C ATOM 1120 CG LYS A 72 14.775 0.759 -13.596 1.00 0.00 C ATOM 1121 CD LYS A 72 15.780 1.875 -13.367 1.00 0.00 C ATOM 1122 CE LYS A 72 16.266 1.901 -11.926 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.401 0.962 -11.707 1.00 0.00 N ATOM 0 H LYS A 72 13.707 -0.458 -17.357 1.00 0.00 H new ATOM 0 HA LYS A 72 13.008 -0.899 -14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.307 0.053 -15.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.403 1.555 -15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.853 0.983 -13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.164 -0.172 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.630 1.743 -14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.324 2.833 -13.616 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.576 2.913 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.444 1.638 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.704 1.009 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.098 -0.007 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.195 1.228 -12.324 1.00 0.00 H new ATOM 1137 N LYS A 73 11.064 0.615 -14.491 1.00 0.00 N ATOM 1138 CA LYS A 73 9.886 1.474 -14.451 1.00 0.00 C ATOM 1139 C LYS A 73 10.154 2.727 -13.624 1.00 0.00 C ATOM 1140 O LYS A 73 10.866 2.679 -12.620 1.00 0.00 O ATOM 1141 CB LYS A 73 8.693 0.711 -13.870 1.00 0.00 C ATOM 1142 CG LYS A 73 8.749 0.555 -12.360 1.00 0.00 C ATOM 1143 CD LYS A 73 9.356 -0.779 -11.960 1.00 0.00 C ATOM 1144 CE LYS A 73 10.054 -0.692 -10.611 1.00 0.00 C ATOM 1145 NZ LYS A 73 10.585 -2.012 -10.174 1.00 0.00 N ATOM 0 H LYS A 73 11.096 -0.091 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 73 9.653 1.777 -15.472 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.774 1.231 -14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.646 -0.277 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.337 1.367 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.744 0.637 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.574 -1.538 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.069 -1.098 -12.720 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.872 0.026 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.355 -0.317 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.053 -1.910 -9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.802 -2.691 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.272 -2.359 -10.874 1.00 0.00 H new ATOM 1159 N TYR A 74 9.579 3.845 -14.050 1.00 0.00 N ATOM 1160 CA TYR A 74 9.757 5.111 -13.348 1.00 0.00 C ATOM 1161 C TYR A 74 8.415 5.673 -12.890 1.00 0.00 C ATOM 1162 O TYR A 74 7.444 5.686 -13.646 1.00 0.00 O ATOM 1163 CB TYR A 74 10.465 6.123 -14.250 1.00 0.00 C ATOM 1164 CG TYR A 74 11.939 5.843 -14.435 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.373 4.667 -15.035 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.899 6.752 -14.007 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.719 4.406 -15.205 1.00 0.00 C ATOM 1168 CE2 TYR A 74 14.247 6.500 -14.175 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.652 5.325 -14.774 1.00 0.00 C ATOM 1170 OH TYR A 74 15.993 5.069 -14.941 1.00 0.00 O ATOM 0 H TYR A 74 8.986 3.901 -14.878 1.00 0.00 H new ATOM 0 HA TYR A 74 10.372 4.926 -12.468 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.980 6.129 -15.226 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.344 7.121 -13.828 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.645 3.945 -15.374 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.586 7.671 -13.535 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.039 3.487 -15.673 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.980 7.219 -13.839 1.00 0.00 H new ATOM 0 HH TYR A 74 16.455 5.896 -15.192 1.00 0.00 H new ATOM 1180 N SER A 75 8.369 6.139 -11.646 1.00 0.00 N ATOM 1181 CA SER A 75 7.146 6.700 -11.084 1.00 0.00 C ATOM 1182 C SER A 75 6.369 7.476 -12.142 1.00 0.00 C ATOM 1183 O SER A 75 5.185 7.225 -12.368 1.00 0.00 O ATOM 1184 CB SER A 75 7.475 7.615 -9.903 1.00 0.00 C ATOM 1185 OG SER A 75 6.347 8.383 -9.523 1.00 0.00 O ATOM 0 H SER A 75 9.165 6.139 -11.008 1.00 0.00 H new ATOM 0 HA SER A 75 6.525 5.876 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.812 7.015 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.297 8.279 -10.171 1.00 0.00 H new ATOM 0 HG SER A 75 6.583 8.958 -8.765 1.00 0.00 H new ATOM 1191 N ASP A 76 7.043 8.421 -12.788 1.00 0.00 N ATOM 1192 CA ASP A 76 6.417 9.235 -13.823 1.00 0.00 C ATOM 1193 C ASP A 76 7.183 9.125 -15.138 1.00 0.00 C ATOM 1194 O ASP A 76 8.393 8.895 -15.146 1.00 0.00 O ATOM 1195 CB ASP A 76 6.347 10.697 -13.380 1.00 0.00 C ATOM 1196 CG ASP A 76 5.164 10.972 -12.473 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.145 10.259 -12.596 1.00 0.00 O ATOM 1198 OD2 ASP A 76 5.256 11.898 -11.641 1.00 0.00 O ATOM 0 H ASP A 76 8.023 8.642 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 76 5.405 8.863 -13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.268 10.960 -12.860 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.283 11.337 -14.260 1.00 0.00 H new ATOM 1203 N VAL A 77 6.471 9.290 -16.248 1.00 0.00 N ATOM 1204 CA VAL A 77 7.083 9.209 -17.569 1.00 0.00 C ATOM 1205 C VAL A 77 8.114 10.316 -17.765 1.00 0.00 C ATOM 1206 O VAL A 77 9.229 10.067 -18.224 1.00 0.00 O ATOM 1207 CB VAL A 77 6.026 9.304 -18.684 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.263 10.617 -18.588 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.679 9.156 -20.050 1.00 0.00 C ATOM 0 H VAL A 77 5.469 9.481 -16.259 1.00 0.00 H new ATOM 0 HA VAL A 77 7.578 8.240 -17.630 1.00 0.00 H new ATOM 0 HB VAL A 77 5.314 8.489 -18.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.521 10.665 -19.385 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.763 10.677 -17.621 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.958 11.450 -18.689 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.917 9.226 -20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.414 9.949 -20.190 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.174 8.187 -20.113 1.00 0.00 H new ATOM 1219 N LYS A 78 7.734 11.539 -17.414 1.00 0.00 N ATOM 1220 CA LYS A 78 8.624 12.686 -17.549 1.00 0.00 C ATOM 1221 C LYS A 78 10.064 12.297 -17.229 1.00 0.00 C ATOM 1222 O LYS A 78 10.966 12.493 -18.043 1.00 0.00 O ATOM 1223 CB LYS A 78 8.174 13.820 -16.626 1.00 0.00 C ATOM 1224 CG LYS A 78 7.164 14.759 -17.263 1.00 0.00 C ATOM 1225 CD LYS A 78 7.849 15.889 -18.012 1.00 0.00 C ATOM 1226 CE LYS A 78 8.142 17.068 -17.096 1.00 0.00 C ATOM 1227 NZ LYS A 78 8.737 18.213 -17.839 1.00 0.00 N ATOM 0 H LYS A 78 6.814 11.762 -17.033 1.00 0.00 H new ATOM 0 HA LYS A 78 8.579 13.029 -18.583 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.740 13.391 -15.723 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.048 14.395 -16.318 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.528 14.200 -17.949 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.514 15.173 -16.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.779 15.526 -18.449 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.216 16.216 -18.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.220 17.389 -16.611 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.824 16.754 -16.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.922 18.996 -17.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.630 17.914 -18.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.075 18.530 -18.576 1.00 0.00 H new ATOM 1241 N ASN A 79 10.272 11.744 -16.039 1.00 0.00 N ATOM 1242 CA ASN A 79 11.603 11.326 -15.612 1.00 0.00 C ATOM 1243 C ASN A 79 12.170 10.270 -16.555 1.00 0.00 C ATOM 1244 O ASN A 79 13.283 10.411 -17.065 1.00 0.00 O ATOM 1245 CB ASN A 79 11.554 10.778 -14.184 1.00 0.00 C ATOM 1246 CG ASN A 79 10.754 11.666 -13.250 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.035 12.857 -13.117 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.752 11.088 -12.599 1.00 0.00 N ATOM 0 H ASN A 79 9.536 11.575 -15.353 1.00 0.00 H new ATOM 0 HA ASN A 79 12.256 12.198 -15.637 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.116 9.780 -14.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.570 10.676 -13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.178 11.635 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.556 10.097 -12.741 1.00 0.00 H new ATOM 1255 N LEU A 80 11.399 9.213 -16.783 1.00 0.00 N ATOM 1256 CA LEU A 80 11.825 8.132 -17.666 1.00 0.00 C ATOM 1257 C LEU A 80 12.404 8.685 -18.964 1.00 0.00 C ATOM 1258 O LEU A 80 13.444 8.226 -19.436 1.00 0.00 O ATOM 1259 CB LEU A 80 10.647 7.206 -17.974 1.00 0.00 C ATOM 1260 CG LEU A 80 10.956 6.000 -18.862 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.933 5.063 -18.170 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.675 5.264 -19.227 1.00 0.00 C ATOM 0 H LEU A 80 10.476 9.081 -16.369 1.00 0.00 H new ATOM 0 HA LEU A 80 12.603 7.564 -17.156 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.240 6.842 -17.030 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.864 7.794 -18.453 1.00 0.00 H new ATOM 0 HG LEU A 80 11.419 6.359 -19.781 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.141 4.211 -18.817 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.861 5.595 -17.961 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.499 4.710 -17.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.914 4.409 -19.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.183 4.917 -18.318 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.009 5.938 -19.765 1.00 0.00 H new ATOM 1274 N ILE A 81 11.725 9.675 -19.534 1.00 0.00 N ATOM 1275 CA ILE A 81 12.175 10.293 -20.775 1.00 0.00 C ATOM 1276 C ILE A 81 13.651 10.668 -20.700 1.00 0.00 C ATOM 1277 O ILE A 81 14.451 10.258 -21.540 1.00 0.00 O ATOM 1278 CB ILE A 81 11.353 11.553 -21.107 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.865 11.209 -21.195 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.836 12.173 -22.409 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.550 10.146 -22.223 1.00 0.00 C ATOM 0 H ILE A 81 10.862 10.066 -19.156 1.00 0.00 H new ATOM 0 HA ILE A 81 12.030 9.556 -21.565 1.00 0.00 H new ATOM 0 HB ILE A 81 11.492 12.280 -20.307 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.520 10.871 -20.218 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.305 12.113 -21.436 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.245 13.062 -22.630 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.886 12.449 -22.313 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.723 11.452 -23.219 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.477 9.953 -22.230 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.864 10.489 -23.209 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.082 9.228 -21.972 1.00 0.00 H new ATOM 1293 N LYS A 82 14.006 11.450 -19.686 1.00 0.00 N ATOM 1294 CA LYS A 82 15.386 11.879 -19.496 1.00 0.00 C ATOM 1295 C LYS A 82 16.303 10.680 -19.275 1.00 0.00 C ATOM 1296 O LYS A 82 17.385 10.596 -19.858 1.00 0.00 O ATOM 1297 CB LYS A 82 15.486 12.837 -18.307 1.00 0.00 C ATOM 1298 CG LYS A 82 16.914 13.147 -17.894 1.00 0.00 C ATOM 1299 CD LYS A 82 16.961 14.175 -16.776 1.00 0.00 C ATOM 1300 CE LYS A 82 16.713 13.534 -15.419 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.313 14.539 -14.395 1.00 0.00 N ATOM 0 H LYS A 82 13.356 11.800 -18.982 1.00 0.00 H new ATOM 0 HA LYS A 82 15.706 12.398 -20.400 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.979 13.769 -18.558 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.957 12.405 -17.458 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.406 12.231 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.470 13.519 -18.755 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.933 14.668 -16.774 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.212 14.946 -16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.932 12.779 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.616 13.020 -15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.153 14.062 -13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.069 15.245 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.437 15.012 -14.696 1.00 0.00 H new ATOM 1315 N HIS A 83 15.863 9.752 -18.430 1.00 0.00 N ATOM 1316 CA HIS A 83 16.644 8.557 -18.133 1.00 0.00 C ATOM 1317 C HIS A 83 17.136 7.896 -19.418 1.00 0.00 C ATOM 1318 O HIS A 83 18.276 7.439 -19.494 1.00 0.00 O ATOM 1319 CB HIS A 83 15.809 7.564 -17.324 1.00 0.00 C ATOM 1320 CG HIS A 83 16.134 6.131 -17.613 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.257 5.500 -17.121 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.475 5.205 -18.348 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.275 4.248 -17.542 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.205 4.043 -18.288 1.00 0.00 N ATOM 0 H HIS A 83 14.970 9.805 -17.940 1.00 0.00 H new ATOM 0 HA HIS A 83 17.511 8.857 -17.544 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.961 7.755 -16.262 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.753 7.737 -17.531 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.963 5.932 -16.525 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.548 5.352 -18.882 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.036 3.516 -17.315 1.00 0.00 H new ATOM 1332 N ILE A 84 16.268 7.850 -20.423 1.00 0.00 N ATOM 1333 CA ILE A 84 16.615 7.246 -21.704 1.00 0.00 C ATOM 1334 C ILE A 84 17.619 8.107 -22.464 1.00 0.00 C ATOM 1335 O ILE A 84 18.632 7.610 -22.955 1.00 0.00 O ATOM 1336 CB ILE A 84 15.368 7.035 -22.582 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.472 5.950 -21.981 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.776 6.666 -24.001 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.128 5.829 -22.665 1.00 0.00 C ATOM 0 H ILE A 84 15.320 8.223 -20.375 1.00 0.00 H new ATOM 0 HA ILE A 84 17.064 6.277 -21.485 1.00 0.00 H new ATOM 0 HB ILE A 84 14.804 7.967 -22.617 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.988 4.991 -22.039 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.315 6.164 -20.924 1.00 0.00 H new ATOM 0 HG21 ILE A 84 14.884 6.520 -24.610 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.378 7.468 -24.427 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.358 5.745 -23.984 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.546 5.041 -22.187 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.592 6.775 -22.585 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.276 5.584 -23.717 1.00 0.00 H new ATOM 1351 N ARG A 85 17.330 9.401 -22.555 1.00 0.00 N ATOM 1352 CA ARG A 85 18.208 10.332 -23.254 1.00 0.00 C ATOM 1353 C ARG A 85 19.555 10.446 -22.546 1.00 0.00 C ATOM 1354 O ARG A 85 20.546 10.869 -23.141 1.00 0.00 O ATOM 1355 CB ARG A 85 17.552 11.711 -23.349 1.00 0.00 C ATOM 1356 CG ARG A 85 16.162 11.683 -23.963 1.00 0.00 C ATOM 1357 CD ARG A 85 15.823 13.004 -24.635 1.00 0.00 C ATOM 1358 NE ARG A 85 15.233 13.958 -23.700 1.00 0.00 N ATOM 1359 CZ ARG A 85 15.521 15.255 -23.693 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.386 15.750 -24.568 1.00 0.00 N ATOM 1361 NH2 ARG A 85 14.943 16.060 -22.811 1.00 0.00 N ATOM 0 H ARG A 85 16.495 9.828 -22.154 1.00 0.00 H new ATOM 0 HA ARG A 85 18.377 9.947 -24.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.490 12.144 -22.351 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.189 12.367 -23.942 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.102 10.876 -24.693 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.425 11.468 -23.189 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.727 13.433 -25.068 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.129 12.825 -25.457 1.00 0.00 H new ATOM 0 HE ARG A 85 14.563 13.609 -23.015 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.832 15.135 -25.248 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.605 16.746 -24.561 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.276 15.683 -22.137 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.165 17.056 -22.807 1.00 0.00 H new ATOM 1375 N ASP A 86 19.582 10.065 -21.274 1.00 0.00 N ATOM 1376 CA ASP A 86 20.807 10.124 -20.485 1.00 0.00 C ATOM 1377 C ASP A 86 21.491 8.761 -20.441 1.00 0.00 C ATOM 1378 O ASP A 86 22.582 8.586 -20.983 1.00 0.00 O ATOM 1379 CB ASP A 86 20.502 10.601 -19.064 1.00 0.00 C ATOM 1380 CG ASP A 86 20.047 12.046 -19.023 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.345 12.474 -19.964 1.00 0.00 O ATOM 1382 OD2 ASP A 86 20.392 12.749 -18.051 1.00 0.00 O ATOM 0 H ASP A 86 18.770 9.712 -20.767 1.00 0.00 H new ATOM 0 HA ASP A 86 21.482 10.835 -20.961 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.729 9.967 -18.629 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.393 10.486 -18.446 1.00 0.00 H new ATOM 1387 N ALA A 87 20.843 7.800 -19.792 1.00 0.00 N ATOM 1388 CA ALA A 87 21.388 6.453 -19.678 1.00 0.00 C ATOM 1389 C ALA A 87 21.465 5.775 -21.042 1.00 0.00 C ATOM 1390 O ALA A 87 22.520 5.281 -21.442 1.00 0.00 O ATOM 1391 CB ALA A 87 20.547 5.622 -18.721 1.00 0.00 C ATOM 0 H ALA A 87 19.939 7.929 -19.337 1.00 0.00 H new ATOM 0 HA ALA A 87 22.400 6.530 -19.281 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.966 4.619 -18.646 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.547 6.090 -17.737 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.525 5.561 -19.094 1.00 0.00 H new ATOM 1397 N HIS A 88 20.342 5.755 -21.752 1.00 0.00 N ATOM 1398 CA HIS A 88 20.282 5.137 -23.072 1.00 0.00 C ATOM 1399 C HIS A 88 20.347 6.194 -24.170 1.00 0.00 C ATOM 1400 O HIS A 88 19.654 6.095 -25.183 1.00 0.00 O ATOM 1401 CB HIS A 88 19.002 4.313 -23.216 1.00 0.00 C ATOM 1402 CG HIS A 88 18.736 3.412 -22.050 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.532 2.331 -21.737 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.755 3.437 -21.118 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.051 1.729 -20.664 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.973 2.381 -20.268 1.00 0.00 N ATOM 0 H HIS A 88 19.461 6.160 -21.436 1.00 0.00 H new ATOM 0 HA HIS A 88 21.143 4.477 -23.176 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.157 4.989 -23.342 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.067 3.711 -24.122 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.363 2.041 -22.253 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.950 4.154 -21.055 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.468 0.852 -20.191 1.00 0.00 H new ATOM 1414 N ASP A 89 21.184 7.205 -23.962 1.00 0.00 N ATOM 1415 CA ASP A 89 21.339 8.281 -24.935 1.00 0.00 C ATOM 1416 C ASP A 89 21.631 7.720 -26.323 1.00 0.00 C ATOM 1417 O ASP A 89 22.659 7.085 -26.559 1.00 0.00 O ATOM 1418 CB ASP A 89 22.463 9.226 -24.506 1.00 0.00 C ATOM 1419 CG ASP A 89 23.823 8.558 -24.534 1.00 0.00 C ATOM 1420 OD1 ASP A 89 23.906 7.364 -24.176 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.805 9.229 -24.914 1.00 0.00 O ATOM 0 H ASP A 89 21.765 7.302 -23.129 1.00 0.00 H new ATOM 0 HA ASP A 89 20.403 8.838 -24.978 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.474 10.095 -25.164 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.262 9.592 -23.499 1.00 0.00 H new ATOM 1426 N PRO A 90 20.707 7.960 -27.265 1.00 0.00 N ATOM 1427 CA PRO A 90 20.842 7.487 -28.646 1.00 0.00 C ATOM 1428 C PRO A 90 21.945 8.219 -29.403 1.00 0.00 C ATOM 1429 O PRO A 90 22.023 8.142 -30.629 1.00 0.00 O ATOM 1430 CB PRO A 90 19.475 7.794 -29.262 1.00 0.00 C ATOM 1431 CG PRO A 90 18.939 8.922 -28.449 1.00 0.00 C ATOM 1432 CD PRO A 90 19.458 8.711 -27.054 1.00 0.00 C ATOM 0 HA PRO A 90 21.117 6.433 -28.691 1.00 0.00 H new ATOM 0 HB2 PRO A 90 19.567 8.071 -30.312 1.00 0.00 H new ATOM 0 HB3 PRO A 90 18.817 6.926 -29.218 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.269 9.881 -28.847 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.849 8.929 -28.463 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.639 9.658 -26.545 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.751 8.151 -26.442 1.00 0.00 H new ATOM 1440 N GLN A 91 22.794 8.927 -28.665 1.00 0.00 N ATOM 1441 CA GLN A 91 23.892 9.672 -29.269 1.00 0.00 C ATOM 1442 C GLN A 91 23.364 10.784 -30.170 1.00 0.00 C ATOM 1443 O GLN A 91 23.887 11.013 -31.261 1.00 0.00 O ATOM 1444 CB GLN A 91 24.793 8.733 -30.072 1.00 0.00 C ATOM 1445 CG GLN A 91 25.888 8.083 -29.242 1.00 0.00 C ATOM 1446 CD GLN A 91 26.405 6.799 -29.861 1.00 0.00 C ATOM 1447 OE1 GLN A 91 27.159 6.826 -30.834 1.00 0.00 O ATOM 1448 NE2 GLN A 91 26.003 5.666 -29.298 1.00 0.00 N ATOM 0 H GLN A 91 22.743 9.000 -27.649 1.00 0.00 H new ATOM 0 HA GLN A 91 24.475 10.125 -28.467 1.00 0.00 H new ATOM 0 HB2 GLN A 91 24.180 7.953 -30.524 1.00 0.00 H new ATOM 0 HB3 GLN A 91 25.251 9.292 -30.888 1.00 0.00 H new ATOM 0 HG2 GLN A 91 26.714 8.784 -29.125 1.00 0.00 H new ATOM 0 HG3 GLN A 91 25.505 7.872 -28.244 1.00 0.00 H new ATOM 0 HE21 GLN A 91 25.378 5.691 -28.493 1.00 0.00 H new ATOM 0 HE22 GLN A 91 26.320 4.771 -29.671 1.00 0.00 H new ATOM 1457 N ASP A 92 22.326 11.471 -29.708 1.00 0.00 N ATOM 1458 CA ASP A 92 21.728 12.560 -30.472 1.00 0.00 C ATOM 1459 C ASP A 92 21.950 13.899 -29.775 1.00 0.00 C ATOM 1460 O ASP A 92 21.835 14.939 -30.421 1.00 0.00 O ATOM 1461 CB ASP A 92 20.230 12.313 -30.664 1.00 0.00 C ATOM 1462 CG ASP A 92 19.949 11.070 -31.485 1.00 0.00 C ATOM 1463 OD1 ASP A 92 20.848 10.641 -32.239 1.00 0.00 O ATOM 1464 OD2 ASP A 92 18.830 10.526 -31.374 1.00 0.00 O ATOM 0 H ASP A 92 21.881 11.293 -28.808 1.00 0.00 H new ATOM 0 HA ASP A 92 22.211 12.595 -31.448 1.00 0.00 H new ATOM 0 HB2 ASP A 92 19.753 12.216 -29.689 1.00 0.00 H new ATOM 0 HB3 ASP A 92 19.782 13.178 -31.154 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -25.152 3.741 -45.111 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -6.381 2.321 -24.510 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.292 2.259 -19.399 1.00 0.00 ZN