USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 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 66 HIS : no HD1:sc= 0.0461 K(o=0.046,f=-0.96) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 46 CYS SG : rot 130:sc= -1.56 USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.0723 X(o=-1.6,f=-1.6) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -137:sc= -0.08 (180deg=-0.00118) USER MOD Set 4.2: A 26 ASN : amide:sc= -0.303 X(o=-0.38,f=-0.53) USER MOD Set 5.1: A 17 TYR OH : rot 165:sc= 0.0451 USER MOD Set 5.2: A 19 SER OG : rot 117:sc= 0.862 USER MOD Set 5.3: A 24 ASN : amide:sc= -1.16! C(o=-0.25!,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.894 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+ -113:sc= 0.133 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.0456 (180deg=-0.147) USER MOD Single : A 14 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -72:sc= 1.21 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 -56:sc= 0.0313 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 7:sc= 0.209 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.239 (180deg=0.0444) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.52! C(o=-1.5!,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.0235 (180deg=-0.299) USER MOD Single : A 74 TYR OH : rot -139:sc= 0.113 USER MOD Single : A 75 SER OG : rot 180:sc= -0.204 USER MOD Single : A 79 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.75) 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 -21.838 43.179 -18.506 1.00 0.00 N ATOM 2 CA GLY A 1 -21.956 41.804 -18.057 1.00 0.00 C ATOM 3 C GLY A 1 -23.249 41.548 -17.308 1.00 0.00 C ATOM 4 O GLY A 1 -23.234 41.232 -16.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.938 43.303 -19.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.628 43.405 -19.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.864 43.816 -17.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.900 41.138 -18.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.112 41.562 -17.412 1.00 0.00 H new ATOM 8 N SER A 2 -24.372 41.684 -18.006 1.00 0.00 N ATOM 9 CA SER A 2 -25.681 41.471 -17.399 1.00 0.00 C ATOM 10 C SER A 2 -25.805 40.047 -16.865 1.00 0.00 C ATOM 11 O SER A 2 -25.137 39.131 -17.344 1.00 0.00 O ATOM 12 CB SER A 2 -26.790 41.745 -18.416 1.00 0.00 C ATOM 13 OG SER A 2 -26.946 43.135 -18.639 1.00 0.00 O ATOM 0 H SER A 2 -24.402 41.941 -18.993 1.00 0.00 H new ATOM 0 HA SER A 2 -25.785 42.165 -16.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.556 41.247 -19.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.729 41.324 -18.057 1.00 0.00 H new ATOM 0 HG SER A 2 -27.660 43.283 -19.294 1.00 0.00 H new ATOM 19 N SER A 3 -26.667 39.869 -15.868 1.00 0.00 N ATOM 20 CA SER A 3 -26.877 38.558 -15.264 1.00 0.00 C ATOM 21 C SER A 3 -28.215 38.506 -14.532 1.00 0.00 C ATOM 22 O SER A 3 -28.924 39.507 -14.440 1.00 0.00 O ATOM 23 CB SER A 3 -25.740 38.231 -14.295 1.00 0.00 C ATOM 24 OG SER A 3 -24.608 37.733 -14.988 1.00 0.00 O ATOM 0 H SER A 3 -27.231 40.616 -15.462 1.00 0.00 H new ATOM 0 HA SER A 3 -26.889 37.815 -16.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.464 39.126 -13.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.079 37.493 -13.567 1.00 0.00 H new ATOM 0 HG SER A 3 -24.638 38.032 -15.921 1.00 0.00 H new ATOM 30 N GLY A 4 -28.552 37.330 -14.013 1.00 0.00 N ATOM 31 CA GLY A 4 -29.804 37.167 -13.296 1.00 0.00 C ATOM 32 C GLY A 4 -29.744 36.051 -12.271 1.00 0.00 C ATOM 33 O GLY A 4 -29.073 35.041 -12.483 1.00 0.00 O ATOM 0 H GLY A 4 -27.981 36.487 -14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.057 38.102 -12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.603 36.960 -14.008 1.00 0.00 H new ATOM 37 N SER A 5 -30.446 36.234 -11.158 1.00 0.00 N ATOM 38 CA SER A 5 -30.466 35.237 -10.094 1.00 0.00 C ATOM 39 C SER A 5 -31.793 34.485 -10.079 1.00 0.00 C ATOM 40 O SER A 5 -32.666 34.761 -9.257 1.00 0.00 O ATOM 41 CB SER A 5 -30.229 35.903 -8.737 1.00 0.00 C ATOM 42 OG SER A 5 -30.304 34.957 -7.685 1.00 0.00 O ATOM 0 H SER A 5 -31.009 37.064 -10.969 1.00 0.00 H new ATOM 0 HA SER A 5 -29.665 34.522 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.250 36.383 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.970 36.687 -8.579 1.00 0.00 H new ATOM 0 HG SER A 5 -30.148 35.407 -6.829 1.00 0.00 H new ATOM 48 N SER A 6 -31.936 33.533 -10.995 1.00 0.00 N ATOM 49 CA SER A 6 -33.158 32.742 -11.091 1.00 0.00 C ATOM 50 C SER A 6 -32.852 31.252 -10.971 1.00 0.00 C ATOM 51 O SER A 6 -31.711 30.826 -11.143 1.00 0.00 O ATOM 52 CB SER A 6 -33.870 33.023 -12.416 1.00 0.00 C ATOM 53 OG SER A 6 -35.208 32.557 -12.385 1.00 0.00 O ATOM 0 H SER A 6 -31.221 33.290 -11.681 1.00 0.00 H new ATOM 0 HA SER A 6 -33.812 33.028 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.859 34.094 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.332 32.539 -13.231 1.00 0.00 H new ATOM 0 HG SER A 6 -35.642 32.750 -13.242 1.00 0.00 H new ATOM 59 N GLY A 7 -33.881 30.465 -10.675 1.00 0.00 N ATOM 60 CA GLY A 7 -33.703 29.031 -10.537 1.00 0.00 C ATOM 61 C GLY A 7 -33.188 28.386 -11.809 1.00 0.00 C ATOM 62 O GLY A 7 -32.947 29.066 -12.806 1.00 0.00 O ATOM 0 H GLY A 7 -34.835 30.794 -10.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.005 28.831 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.654 28.575 -10.261 1.00 0.00 H new ATOM 66 N LYS A 8 -33.016 27.069 -11.774 1.00 0.00 N ATOM 67 CA LYS A 8 -32.525 26.330 -12.931 1.00 0.00 C ATOM 68 C LYS A 8 -31.188 26.889 -13.407 1.00 0.00 C ATOM 69 O LYS A 8 -31.019 27.254 -14.571 1.00 0.00 O ATOM 70 CB LYS A 8 -33.547 26.386 -14.069 1.00 0.00 C ATOM 71 CG LYS A 8 -34.644 25.342 -13.953 1.00 0.00 C ATOM 72 CD LYS A 8 -35.686 25.504 -15.048 1.00 0.00 C ATOM 73 CE LYS A 8 -36.841 24.531 -14.866 1.00 0.00 C ATOM 74 NZ LYS A 8 -36.486 23.158 -15.320 1.00 0.00 N ATOM 0 H LYS A 8 -33.210 26.491 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 8 -32.379 25.292 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -34.001 27.377 -14.090 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -33.029 26.252 -15.019 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -34.207 24.345 -14.010 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -35.124 25.424 -12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -36.065 26.526 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -35.222 25.341 -16.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -37.130 24.503 -13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -37.707 24.886 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -37.050 22.913 -16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.475 23.122 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -36.685 22.478 -14.558 1.00 0.00 H new ATOM 88 N PRO A 9 -30.214 26.959 -12.488 1.00 0.00 N ATOM 89 CA PRO A 9 -28.874 27.471 -12.791 1.00 0.00 C ATOM 90 C PRO A 9 -28.086 26.532 -13.697 1.00 0.00 C ATOM 91 O PRO A 9 -27.405 26.973 -14.623 1.00 0.00 O ATOM 92 CB PRO A 9 -28.211 27.567 -11.414 1.00 0.00 C ATOM 93 CG PRO A 9 -28.929 26.565 -10.578 1.00 0.00 C ATOM 94 CD PRO A 9 -30.345 26.543 -11.081 1.00 0.00 C ATOM 0 HA PRO A 9 -28.912 28.419 -13.328 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -27.145 27.344 -11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -28.305 28.570 -10.998 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -28.468 25.581 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -28.894 26.840 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -30.787 25.550 -10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -30.982 27.225 -10.518 1.00 0.00 H new ATOM 102 N TYR A 10 -28.183 25.235 -13.425 1.00 0.00 N ATOM 103 CA TYR A 10 -27.477 24.233 -14.215 1.00 0.00 C ATOM 104 C TYR A 10 -28.053 24.147 -15.626 1.00 0.00 C ATOM 105 O TYR A 10 -29.235 23.856 -15.810 1.00 0.00 O ATOM 106 CB TYR A 10 -27.559 22.866 -13.535 1.00 0.00 C ATOM 107 CG TYR A 10 -27.049 22.867 -12.111 1.00 0.00 C ATOM 108 CD1 TYR A 10 -27.855 23.299 -11.064 1.00 0.00 C ATOM 109 CD2 TYR A 10 -25.762 22.438 -11.812 1.00 0.00 C ATOM 110 CE1 TYR A 10 -27.394 23.302 -9.762 1.00 0.00 C ATOM 111 CE2 TYR A 10 -25.293 22.437 -10.513 1.00 0.00 C ATOM 112 CZ TYR A 10 -26.113 22.870 -9.492 1.00 0.00 C ATOM 113 OH TYR A 10 -25.648 22.871 -8.196 1.00 0.00 O ATOM 0 H TYR A 10 -28.744 24.853 -12.663 1.00 0.00 H new ATOM 0 HA TYR A 10 -26.432 24.534 -14.286 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.595 22.528 -13.541 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -26.985 22.145 -14.117 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -28.859 23.638 -11.272 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -25.117 22.099 -12.609 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -28.033 23.641 -8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -24.290 22.099 -10.298 1.00 0.00 H new ATOM 0 HH TYR A 10 -24.727 22.536 -8.179 1.00 0.00 H new ATOM 123 N LYS A 11 -27.209 24.402 -16.619 1.00 0.00 N ATOM 124 CA LYS A 11 -27.630 24.352 -18.014 1.00 0.00 C ATOM 125 C LYS A 11 -26.966 23.187 -18.741 1.00 0.00 C ATOM 126 O LYS A 11 -25.855 22.781 -18.400 1.00 0.00 O ATOM 127 CB LYS A 11 -27.290 25.668 -18.718 1.00 0.00 C ATOM 128 CG LYS A 11 -28.405 26.697 -18.656 1.00 0.00 C ATOM 129 CD LYS A 11 -28.547 27.282 -17.261 1.00 0.00 C ATOM 130 CE LYS A 11 -29.277 28.616 -17.288 1.00 0.00 C ATOM 131 NZ LYS A 11 -29.095 29.374 -16.019 1.00 0.00 N ATOM 0 H LYS A 11 -26.228 24.646 -16.484 1.00 0.00 H new ATOM 0 HA LYS A 11 -28.710 24.203 -18.037 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -26.392 26.090 -18.267 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -27.055 25.462 -19.762 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -28.203 27.497 -19.368 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -29.346 26.234 -18.955 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -29.089 26.582 -16.625 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -27.560 27.415 -16.819 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -28.911 29.213 -18.123 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -30.340 28.445 -17.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -30.017 29.497 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -28.456 28.848 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -28.685 30.307 -16.228 1.00 0.00 H new ATOM 145 N CYS A 12 -27.653 22.655 -19.746 1.00 0.00 N ATOM 146 CA CYS A 12 -27.130 21.537 -20.523 1.00 0.00 C ATOM 147 C CYS A 12 -26.200 22.031 -21.628 1.00 0.00 C ATOM 148 O CYS A 12 -26.597 22.782 -22.519 1.00 0.00 O ATOM 149 CB CYS A 12 -28.279 20.730 -21.131 1.00 0.00 C ATOM 150 SG CYS A 12 -27.754 19.185 -21.942 1.00 0.00 S ATOM 0 H CYS A 12 -28.573 22.980 -20.042 1.00 0.00 H new ATOM 0 HA CYS A 12 -26.559 20.895 -19.852 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -28.996 20.490 -20.346 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -28.800 21.351 -21.859 1.00 0.00 H new ATOM 155 N PRO A 13 -24.932 21.599 -21.570 1.00 0.00 N ATOM 156 CA PRO A 13 -23.919 21.983 -22.558 1.00 0.00 C ATOM 157 C PRO A 13 -24.174 21.355 -23.924 1.00 0.00 C ATOM 158 O PRO A 13 -23.448 21.618 -24.882 1.00 0.00 O ATOM 159 CB PRO A 13 -22.617 21.447 -21.957 1.00 0.00 C ATOM 160 CG PRO A 13 -23.040 20.319 -21.080 1.00 0.00 C ATOM 161 CD PRO A 13 -24.389 20.701 -20.536 1.00 0.00 C ATOM 0 HA PRO A 13 -23.911 23.058 -22.737 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.932 21.109 -22.734 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.097 22.218 -21.388 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.096 19.387 -21.642 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.324 20.162 -20.273 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -25.025 19.828 -20.388 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -24.306 21.202 -19.572 1.00 0.00 H new ATOM 169 N GLN A 14 -25.209 20.525 -24.005 1.00 0.00 N ATOM 170 CA GLN A 14 -25.558 19.860 -25.254 1.00 0.00 C ATOM 171 C GLN A 14 -26.849 20.431 -25.832 1.00 0.00 C ATOM 172 O GLN A 14 -26.986 20.578 -27.047 1.00 0.00 O ATOM 173 CB GLN A 14 -25.707 18.355 -25.031 1.00 0.00 C ATOM 174 CG GLN A 14 -24.448 17.691 -24.497 1.00 0.00 C ATOM 175 CD GLN A 14 -24.344 16.232 -24.895 1.00 0.00 C ATOM 176 OE1 GLN A 14 -24.674 15.858 -26.021 1.00 0.00 O ATOM 177 NE2 GLN A 14 -23.884 15.397 -23.970 1.00 0.00 N ATOM 0 H GLN A 14 -25.820 20.297 -23.221 1.00 0.00 H new ATOM 0 HA GLN A 14 -24.753 20.036 -25.967 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -26.525 18.179 -24.332 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -25.985 17.882 -25.973 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -23.574 18.228 -24.867 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -24.434 17.769 -23.410 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -23.622 15.750 -23.050 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -23.793 14.403 -24.180 1.00 0.00 H new ATOM 186 N CYS A 15 -27.794 20.751 -24.954 1.00 0.00 N ATOM 187 CA CYS A 15 -29.074 21.305 -25.377 1.00 0.00 C ATOM 188 C CYS A 15 -29.464 22.498 -24.508 1.00 0.00 C ATOM 189 O CYS A 15 -28.696 22.930 -23.648 1.00 0.00 O ATOM 190 CB CYS A 15 -30.164 20.234 -25.309 1.00 0.00 C ATOM 191 SG CYS A 15 -31.008 20.132 -23.697 1.00 0.00 S ATOM 0 H CYS A 15 -27.697 20.636 -23.945 1.00 0.00 H new ATOM 0 HA CYS A 15 -28.972 21.646 -26.407 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -30.905 20.435 -26.083 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -29.721 19.265 -25.537 1.00 0.00 H new ATOM 196 N SER A 16 -30.661 23.026 -24.740 1.00 0.00 N ATOM 197 CA SER A 16 -31.152 24.171 -23.982 1.00 0.00 C ATOM 198 C SER A 16 -31.917 23.715 -22.743 1.00 0.00 C ATOM 199 O SER A 16 -32.936 24.302 -22.378 1.00 0.00 O ATOM 200 CB SER A 16 -32.052 25.042 -24.860 1.00 0.00 C ATOM 201 OG SER A 16 -31.286 25.818 -25.765 1.00 0.00 O ATOM 0 H SER A 16 -31.309 22.679 -25.447 1.00 0.00 H new ATOM 0 HA SER A 16 -30.292 24.759 -23.660 1.00 0.00 H new ATOM 0 HB2 SER A 16 -32.745 24.410 -25.415 1.00 0.00 H new ATOM 0 HB3 SER A 16 -32.653 25.699 -24.231 1.00 0.00 H new ATOM 0 HG SER A 16 -31.885 26.364 -26.316 1.00 0.00 H new ATOM 207 N TYR A 17 -31.419 22.664 -22.102 1.00 0.00 N ATOM 208 CA TYR A 17 -32.057 22.126 -20.906 1.00 0.00 C ATOM 209 C TYR A 17 -31.497 22.783 -19.648 1.00 0.00 C ATOM 210 O TYR A 17 -30.375 23.290 -19.646 1.00 0.00 O ATOM 211 CB TYR A 17 -31.858 20.611 -20.834 1.00 0.00 C ATOM 212 CG TYR A 17 -32.174 20.022 -19.478 1.00 0.00 C ATOM 213 CD1 TYR A 17 -33.480 19.706 -19.124 1.00 0.00 C ATOM 214 CD2 TYR A 17 -31.168 19.784 -18.550 1.00 0.00 C ATOM 215 CE1 TYR A 17 -33.774 19.168 -17.885 1.00 0.00 C ATOM 216 CE2 TYR A 17 -31.453 19.246 -17.310 1.00 0.00 C ATOM 217 CZ TYR A 17 -32.757 18.940 -16.982 1.00 0.00 C ATOM 218 OH TYR A 17 -33.045 18.405 -15.747 1.00 0.00 O ATOM 0 H TYR A 17 -30.576 22.168 -22.390 1.00 0.00 H new ATOM 0 HA TYR A 17 -33.123 22.344 -20.965 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -32.489 20.134 -21.584 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -30.825 20.376 -21.091 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -34.279 19.884 -19.829 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -30.146 20.024 -18.802 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -34.794 18.928 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -30.659 19.066 -16.601 1.00 0.00 H new ATOM 0 HH TYR A 17 -32.219 18.086 -15.328 1.00 0.00 H new ATOM 228 N ALA A 18 -32.287 22.770 -18.580 1.00 0.00 N ATOM 229 CA ALA A 18 -31.871 23.362 -17.314 1.00 0.00 C ATOM 230 C ALA A 18 -32.515 22.643 -16.134 1.00 0.00 C ATOM 231 O ALA A 18 -33.630 22.132 -16.240 1.00 0.00 O ATOM 232 CB ALA A 18 -32.217 24.843 -17.285 1.00 0.00 C ATOM 0 H ALA A 18 -33.219 22.356 -18.566 1.00 0.00 H new ATOM 0 HA ALA A 18 -30.790 23.251 -17.227 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -31.901 25.272 -16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -31.705 25.352 -18.101 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -33.294 24.967 -17.399 1.00 0.00 H new ATOM 238 N SER A 19 -31.807 22.608 -15.010 1.00 0.00 N ATOM 239 CA SER A 19 -32.308 21.947 -13.810 1.00 0.00 C ATOM 240 C SER A 19 -31.841 22.676 -12.554 1.00 0.00 C ATOM 241 O SER A 19 -31.006 23.577 -12.620 1.00 0.00 O ATOM 242 CB SER A 19 -31.842 20.491 -13.772 1.00 0.00 C ATOM 243 OG SER A 19 -32.791 19.669 -13.115 1.00 0.00 O ATOM 0 H SER A 19 -30.884 23.030 -14.905 1.00 0.00 H new ATOM 0 HA SER A 19 -33.397 21.971 -13.839 1.00 0.00 H new ATOM 0 HB2 SER A 19 -31.685 20.130 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 19 -30.883 20.426 -13.259 1.00 0.00 H new ATOM 0 HG SER A 19 -33.147 19.011 -13.748 1.00 0.00 H new ATOM 249 N ALA A 20 -32.387 22.278 -11.410 1.00 0.00 N ATOM 250 CA ALA A 20 -32.026 22.890 -10.137 1.00 0.00 C ATOM 251 C ALA A 20 -31.021 22.029 -9.379 1.00 0.00 C ATOM 252 O ALA A 20 -30.166 22.546 -8.659 1.00 0.00 O ATOM 253 CB ALA A 20 -33.270 23.122 -9.291 1.00 0.00 C ATOM 0 H ALA A 20 -33.081 21.534 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 20 -31.557 23.852 -10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -32.985 23.579 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -33.953 23.784 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -33.763 22.169 -9.100 1.00 0.00 H new ATOM 259 N ILE A 21 -31.130 20.716 -9.545 1.00 0.00 N ATOM 260 CA ILE A 21 -30.230 19.784 -8.877 1.00 0.00 C ATOM 261 C ILE A 21 -29.035 19.444 -9.761 1.00 0.00 C ATOM 262 O ILE A 21 -29.146 19.407 -10.986 1.00 0.00 O ATOM 263 CB ILE A 21 -30.955 18.482 -8.489 1.00 0.00 C ATOM 264 CG1 ILE A 21 -32.124 18.783 -7.550 1.00 0.00 C ATOM 265 CG2 ILE A 21 -29.983 17.509 -7.838 1.00 0.00 C ATOM 266 CD1 ILE A 21 -33.184 17.704 -7.539 1.00 0.00 C ATOM 0 H ILE A 21 -31.833 20.273 -10.137 1.00 0.00 H new ATOM 0 HA ILE A 21 -29.879 20.278 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 21 -31.350 18.021 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -31.742 18.916 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -32.582 19.728 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -30.510 16.593 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -29.180 17.274 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -29.561 17.962 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -33.982 17.985 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -33.594 17.587 -8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -32.741 16.762 -7.216 1.00 0.00 H new ATOM 278 N LYS A 22 -27.892 19.195 -9.131 1.00 0.00 N ATOM 279 CA LYS A 22 -26.676 18.854 -9.858 1.00 0.00 C ATOM 280 C LYS A 22 -26.783 17.464 -10.478 1.00 0.00 C ATOM 281 O LYS A 22 -26.528 17.284 -11.668 1.00 0.00 O ATOM 282 CB LYS A 22 -25.465 18.915 -8.925 1.00 0.00 C ATOM 283 CG LYS A 22 -24.187 18.384 -9.551 1.00 0.00 C ATOM 284 CD LYS A 22 -23.425 19.480 -10.277 1.00 0.00 C ATOM 285 CE LYS A 22 -22.337 18.904 -11.171 1.00 0.00 C ATOM 286 NZ LYS A 22 -22.892 18.358 -12.440 1.00 0.00 N ATOM 0 H LYS A 22 -27.783 19.223 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 22 -26.547 19.581 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -25.306 19.948 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -25.683 18.343 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -23.554 17.951 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -24.428 17.583 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -24.117 20.069 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -22.979 20.158 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -21.606 19.680 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -21.808 18.115 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -22.439 17.447 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -23.918 18.219 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -22.708 19.026 -13.215 1.00 0.00 H new ATOM 300 N ALA A 23 -27.164 16.486 -9.663 1.00 0.00 N ATOM 301 CA ALA A 23 -27.309 15.113 -10.132 1.00 0.00 C ATOM 302 C ALA A 23 -28.215 15.045 -11.357 1.00 0.00 C ATOM 303 O ALA A 23 -28.017 14.212 -12.241 1.00 0.00 O ATOM 304 CB ALA A 23 -27.855 14.230 -9.020 1.00 0.00 C ATOM 0 H ALA A 23 -27.378 16.619 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 23 -26.323 14.747 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -27.958 13.208 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -27.169 14.246 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -28.830 14.603 -8.705 1.00 0.00 H new ATOM 310 N ASN A 24 -29.209 15.926 -11.403 1.00 0.00 N ATOM 311 CA ASN A 24 -30.146 15.964 -12.520 1.00 0.00 C ATOM 312 C ASN A 24 -29.410 16.175 -13.840 1.00 0.00 C ATOM 313 O ASN A 24 -29.419 15.306 -14.713 1.00 0.00 O ATOM 314 CB ASN A 24 -31.173 17.079 -12.312 1.00 0.00 C ATOM 315 CG ASN A 24 -32.213 16.720 -11.268 1.00 0.00 C ATOM 316 OD1 ASN A 24 -32.034 15.777 -10.497 1.00 0.00 O ATOM 317 ND2 ASN A 24 -33.306 17.472 -11.239 1.00 0.00 N ATOM 0 H ASN A 24 -29.386 16.623 -10.680 1.00 0.00 H new ATOM 0 HA ASN A 24 -30.663 15.005 -12.562 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -30.659 17.991 -12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -31.670 17.292 -13.258 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -34.040 17.278 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -33.412 18.244 -11.898 1.00 0.00 H new ATOM 324 N LEU A 25 -28.775 17.333 -13.978 1.00 0.00 N ATOM 325 CA LEU A 25 -28.033 17.658 -15.192 1.00 0.00 C ATOM 326 C LEU A 25 -27.266 16.443 -15.704 1.00 0.00 C ATOM 327 O LEU A 25 -27.150 16.233 -16.910 1.00 0.00 O ATOM 328 CB LEU A 25 -27.064 18.812 -14.927 1.00 0.00 C ATOM 329 CG LEU A 25 -26.311 19.349 -16.145 1.00 0.00 C ATOM 330 CD1 LEU A 25 -27.287 19.844 -17.200 1.00 0.00 C ATOM 331 CD2 LEU A 25 -25.357 20.461 -15.734 1.00 0.00 C ATOM 0 H LEU A 25 -28.759 18.063 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 25 -28.749 17.960 -15.956 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -27.623 19.634 -14.479 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -26.333 18.484 -14.188 1.00 0.00 H new ATOM 0 HG LEU A 25 -25.726 18.536 -16.574 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -26.733 20.222 -18.059 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -27.929 19.022 -17.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -27.900 20.643 -16.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -24.830 20.831 -16.613 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -25.921 21.275 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -24.636 20.074 -15.014 1.00 0.00 H new ATOM 343 N ASN A 26 -26.748 15.643 -14.777 1.00 0.00 N ATOM 344 CA ASN A 26 -25.994 14.447 -15.135 1.00 0.00 C ATOM 345 C ASN A 26 -26.894 13.418 -15.812 1.00 0.00 C ATOM 346 O ASN A 26 -26.569 12.899 -16.879 1.00 0.00 O ATOM 347 CB ASN A 26 -25.347 13.835 -13.890 1.00 0.00 C ATOM 348 CG ASN A 26 -24.296 14.742 -13.279 1.00 0.00 C ATOM 349 OD1 ASN A 26 -23.114 14.653 -13.612 1.00 0.00 O ATOM 350 ND2 ASN A 26 -24.724 15.622 -12.381 1.00 0.00 N ATOM 0 H ASN A 26 -26.837 15.801 -13.773 1.00 0.00 H new ATOM 0 HA ASN A 26 -25.213 14.737 -15.837 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -26.118 13.626 -13.149 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -24.891 12.881 -14.153 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -24.063 16.260 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -25.713 15.660 -12.136 1.00 0.00 H new ATOM 357 N VAL A 27 -28.029 13.129 -15.183 1.00 0.00 N ATOM 358 CA VAL A 27 -28.979 12.164 -15.724 1.00 0.00 C ATOM 359 C VAL A 27 -29.586 12.664 -17.030 1.00 0.00 C ATOM 360 O VAL A 27 -29.862 11.881 -17.939 1.00 0.00 O ATOM 361 CB VAL A 27 -30.111 11.869 -14.723 1.00 0.00 C ATOM 362 CG1 VAL A 27 -31.288 12.803 -14.958 1.00 0.00 C ATOM 363 CG2 VAL A 27 -30.546 10.415 -14.825 1.00 0.00 C ATOM 0 H VAL A 27 -28.313 13.550 -14.298 1.00 0.00 H new ATOM 0 HA VAL A 27 -28.424 11.245 -15.913 1.00 0.00 H new ATOM 0 HB VAL A 27 -29.735 12.043 -13.715 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -32.078 12.580 -14.241 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -30.964 13.836 -14.831 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -31.666 12.664 -15.971 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -31.347 10.224 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -30.904 10.212 -15.834 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -29.699 9.765 -14.603 1.00 0.00 H new ATOM 373 N HIS A 28 -29.792 13.974 -17.117 1.00 0.00 N ATOM 374 CA HIS A 28 -30.367 14.580 -18.313 1.00 0.00 C ATOM 375 C HIS A 28 -29.434 14.413 -19.508 1.00 0.00 C ATOM 376 O HIS A 28 -29.884 14.248 -20.643 1.00 0.00 O ATOM 377 CB HIS A 28 -30.648 16.064 -18.074 1.00 0.00 C ATOM 378 CG HIS A 28 -31.021 16.811 -19.317 1.00 0.00 C ATOM 379 ND1 HIS A 28 -32.323 16.956 -19.746 1.00 0.00 N ATOM 380 CD2 HIS A 28 -30.253 17.459 -20.225 1.00 0.00 C ATOM 381 CE1 HIS A 28 -32.341 17.659 -20.864 1.00 0.00 C ATOM 382 NE2 HIS A 28 -31.097 17.976 -21.176 1.00 0.00 N ATOM 0 H HIS A 28 -29.569 14.636 -16.374 1.00 0.00 H new ATOM 0 HA HIS A 28 -31.306 14.071 -18.533 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -31.454 16.160 -17.347 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -29.765 16.526 -17.634 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -33.145 16.579 -19.274 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -29.177 17.552 -20.205 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -33.222 17.929 -21.427 1.00 0.00 H new ATOM 390 N LEU A 29 -28.132 14.459 -19.247 1.00 0.00 N ATOM 391 CA LEU A 29 -27.135 14.313 -20.302 1.00 0.00 C ATOM 392 C LEU A 29 -27.105 12.882 -20.830 1.00 0.00 C ATOM 393 O LEU A 29 -26.672 12.634 -21.955 1.00 0.00 O ATOM 394 CB LEU A 29 -25.751 14.705 -19.780 1.00 0.00 C ATOM 395 CG LEU A 29 -25.577 16.168 -19.373 1.00 0.00 C ATOM 396 CD1 LEU A 29 -24.542 16.294 -18.265 1.00 0.00 C ATOM 397 CD2 LEU A 29 -25.180 17.013 -20.574 1.00 0.00 C ATOM 0 H LEU A 29 -27.742 14.596 -18.314 1.00 0.00 H new ATOM 0 HA LEU A 29 -27.410 14.977 -21.122 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -25.519 14.079 -18.918 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -25.015 14.473 -20.550 1.00 0.00 H new ATOM 0 HG LEU A 29 -26.531 16.536 -18.995 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -24.431 17.342 -17.988 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -24.867 15.722 -17.396 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -23.585 15.908 -18.616 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -25.061 18.051 -20.265 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.239 16.645 -20.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -25.956 16.948 -21.337 1.00 0.00 H new ATOM 409 N ARG A 30 -27.572 11.945 -20.011 1.00 0.00 N ATOM 410 CA ARG A 30 -27.600 10.539 -20.396 1.00 0.00 C ATOM 411 C ARG A 30 -28.446 10.336 -21.649 1.00 0.00 C ATOM 412 O ARG A 30 -28.260 9.368 -22.387 1.00 0.00 O ATOM 413 CB ARG A 30 -28.150 9.686 -19.252 1.00 0.00 C ATOM 414 CG ARG A 30 -27.273 9.693 -18.011 1.00 0.00 C ATOM 415 CD ARG A 30 -27.904 8.898 -16.878 1.00 0.00 C ATOM 416 NE ARG A 30 -27.706 7.461 -17.042 1.00 0.00 N ATOM 417 CZ ARG A 30 -26.563 6.841 -16.771 1.00 0.00 C ATOM 418 NH1 ARG A 30 -25.521 7.529 -16.325 1.00 0.00 N ATOM 419 NH2 ARG A 30 -26.461 5.529 -16.946 1.00 0.00 N ATOM 0 H ARG A 30 -27.936 12.134 -19.077 1.00 0.00 H new ATOM 0 HA ARG A 30 -26.579 10.227 -20.614 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -29.144 10.047 -18.986 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -28.266 8.659 -19.599 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.297 9.273 -18.252 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.107 10.721 -17.687 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.475 9.217 -15.928 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.971 9.114 -16.834 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.488 6.902 -17.383 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.596 8.537 -16.189 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -24.645 7.050 -16.118 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -27.261 4.997 -17.289 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.583 5.053 -16.738 1.00 0.00 H new ATOM 433 N LYS A 31 -29.377 11.254 -21.884 1.00 0.00 N ATOM 434 CA LYS A 31 -30.253 11.178 -23.047 1.00 0.00 C ATOM 435 C LYS A 31 -29.532 11.658 -24.303 1.00 0.00 C ATOM 436 O LYS A 31 -29.839 11.221 -25.413 1.00 0.00 O ATOM 437 CB LYS A 31 -31.513 12.014 -22.819 1.00 0.00 C ATOM 438 CG LYS A 31 -32.235 11.685 -21.523 1.00 0.00 C ATOM 439 CD LYS A 31 -33.472 12.549 -21.339 1.00 0.00 C ATOM 440 CE LYS A 31 -33.754 12.812 -19.868 1.00 0.00 C ATOM 441 NZ LYS A 31 -34.927 13.710 -19.680 1.00 0.00 N ATOM 0 H LYS A 31 -29.545 12.061 -21.283 1.00 0.00 H new ATOM 0 HA LYS A 31 -30.538 10.135 -23.188 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -31.243 13.070 -22.817 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -32.196 11.862 -23.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -32.521 10.633 -21.522 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -31.559 11.832 -20.681 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -33.336 13.497 -21.860 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -34.332 12.057 -21.793 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -33.936 11.866 -19.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -32.875 13.260 -19.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -35.086 13.865 -18.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -34.744 14.622 -20.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -35.771 13.271 -20.100 1.00 0.00 H new ATOM 455 N HIS A 32 -28.571 12.558 -24.121 1.00 0.00 N ATOM 456 CA HIS A 32 -27.805 13.096 -25.239 1.00 0.00 C ATOM 457 C HIS A 32 -26.675 12.148 -25.629 1.00 0.00 C ATOM 458 O HIS A 32 -25.686 12.559 -26.238 1.00 0.00 O ATOM 459 CB HIS A 32 -27.234 14.468 -24.881 1.00 0.00 C ATOM 460 CG HIS A 32 -28.280 15.529 -24.725 1.00 0.00 C ATOM 461 ND1 HIS A 32 -29.094 15.941 -25.758 1.00 0.00 N ATOM 462 CD2 HIS A 32 -28.642 16.262 -23.646 1.00 0.00 C ATOM 463 CE1 HIS A 32 -29.912 16.883 -25.322 1.00 0.00 C ATOM 464 NE2 HIS A 32 -29.658 17.096 -24.044 1.00 0.00 N ATOM 0 H HIS A 32 -28.304 12.930 -23.209 1.00 0.00 H new ATOM 0 HA HIS A 32 -28.478 13.202 -26.090 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -26.669 14.387 -23.952 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -26.531 14.773 -25.656 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -29.069 15.576 -26.710 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -28.212 16.202 -22.657 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -30.661 17.392 -25.911 1.00 0.00 H new ATOM 472 N THR A 33 -26.826 10.876 -25.274 1.00 0.00 N ATOM 473 CA THR A 33 -25.818 9.870 -25.585 1.00 0.00 C ATOM 474 C THR A 33 -26.194 9.082 -26.834 1.00 0.00 C ATOM 475 O THR A 33 -27.182 9.390 -27.500 1.00 0.00 O ATOM 476 CB THR A 33 -25.623 8.889 -24.413 1.00 0.00 C ATOM 477 OG1 THR A 33 -26.855 8.218 -24.126 1.00 0.00 O ATOM 478 CG2 THR A 33 -25.137 9.620 -23.171 1.00 0.00 C ATOM 0 H THR A 33 -27.637 10.518 -24.770 1.00 0.00 H new ATOM 0 HA THR A 33 -24.884 10.403 -25.763 1.00 0.00 H new ATOM 0 HB THR A 33 -24.869 8.157 -24.702 1.00 0.00 H new ATOM 0 HG1 THR A 33 -27.479 8.846 -23.706 1.00 0.00 H new ATOM 0 HG21 THR A 33 -25.007 8.907 -22.357 1.00 0.00 H new ATOM 0 HG22 THR A 33 -24.185 10.106 -23.384 1.00 0.00 H new ATOM 0 HG23 THR A 33 -25.871 10.372 -22.881 1.00 0.00 H new ATOM 486 N GLY A 34 -25.400 8.063 -27.148 1.00 0.00 N ATOM 487 CA GLY A 34 -25.667 7.247 -28.317 1.00 0.00 C ATOM 488 C GLY A 34 -24.405 6.657 -28.913 1.00 0.00 C ATOM 489 O GLY A 34 -24.315 6.462 -30.125 1.00 0.00 O ATOM 0 H GLY A 34 -24.576 7.788 -26.613 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -26.348 6.441 -28.045 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -26.173 7.851 -29.070 1.00 0.00 H new ATOM 493 N GLU A 35 -23.426 6.373 -28.060 1.00 0.00 N ATOM 494 CA GLU A 35 -22.161 5.804 -28.511 1.00 0.00 C ATOM 495 C GLU A 35 -21.432 5.117 -27.360 1.00 0.00 C ATOM 496 O GLU A 35 -21.498 5.562 -26.214 1.00 0.00 O ATOM 497 CB GLU A 35 -21.272 6.895 -29.113 1.00 0.00 C ATOM 498 CG GLU A 35 -21.427 7.044 -30.617 1.00 0.00 C ATOM 499 CD GLU A 35 -20.480 8.074 -31.201 1.00 0.00 C ATOM 500 OE1 GLU A 35 -20.749 9.284 -31.046 1.00 0.00 O ATOM 501 OE2 GLU A 35 -19.469 7.670 -31.813 1.00 0.00 O ATOM 0 H GLU A 35 -23.484 6.527 -27.053 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.379 5.059 -29.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.506 7.847 -28.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.230 6.671 -28.884 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.249 6.080 -31.094 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.454 7.329 -30.846 1.00 0.00 H new ATOM 508 N LYS A 36 -20.738 4.028 -27.673 1.00 0.00 N ATOM 509 CA LYS A 36 -19.996 3.277 -26.667 1.00 0.00 C ATOM 510 C LYS A 36 -18.492 3.423 -26.879 1.00 0.00 C ATOM 511 O LYS A 36 -17.906 2.745 -27.724 1.00 0.00 O ATOM 512 CB LYS A 36 -20.388 1.799 -26.712 1.00 0.00 C ATOM 513 CG LYS A 36 -21.661 1.483 -25.948 1.00 0.00 C ATOM 514 CD LYS A 36 -21.359 0.941 -24.561 1.00 0.00 C ATOM 515 CE LYS A 36 -22.635 0.673 -23.777 1.00 0.00 C ATOM 516 NZ LYS A 36 -22.412 -0.295 -22.668 1.00 0.00 N ATOM 0 H LYS A 36 -20.674 3.645 -28.616 1.00 0.00 H new ATOM 0 HA LYS A 36 -20.248 3.683 -25.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.514 1.497 -27.752 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.572 1.203 -26.304 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -22.269 2.384 -25.863 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -22.249 0.753 -26.505 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.783 0.020 -24.647 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.740 1.654 -24.017 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -23.015 1.610 -23.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.400 0.285 -24.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.305 -0.451 -22.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.074 -1.198 -23.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.701 0.087 -22.012 1.00 0.00 H new ATOM 530 N PHE A 37 -17.873 4.309 -26.107 1.00 0.00 N ATOM 531 CA PHE A 37 -16.438 4.543 -26.210 1.00 0.00 C ATOM 532 C PHE A 37 -15.678 3.735 -25.162 1.00 0.00 C ATOM 533 O PHE A 37 -15.528 4.166 -24.019 1.00 0.00 O ATOM 534 CB PHE A 37 -16.128 6.032 -26.045 1.00 0.00 C ATOM 535 CG PHE A 37 -17.029 6.924 -26.851 1.00 0.00 C ATOM 536 CD1 PHE A 37 -16.738 7.210 -28.175 1.00 0.00 C ATOM 537 CD2 PHE A 37 -18.166 7.477 -26.284 1.00 0.00 C ATOM 538 CE1 PHE A 37 -17.565 8.031 -28.918 1.00 0.00 C ATOM 539 CE2 PHE A 37 -18.997 8.299 -27.023 1.00 0.00 C ATOM 540 CZ PHE A 37 -18.696 8.575 -28.342 1.00 0.00 C ATOM 0 H PHE A 37 -18.343 4.877 -25.402 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.114 4.219 -27.199 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -16.214 6.298 -24.992 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.094 6.214 -26.337 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -15.855 6.787 -28.631 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -18.406 7.264 -25.253 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -17.327 8.247 -29.949 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -19.880 8.724 -26.569 1.00 0.00 H new ATOM 0 HZ PHE A 37 -19.344 9.215 -28.922 1.00 0.00 H new ATOM 550 N ALA A 38 -15.202 2.560 -25.560 1.00 0.00 N ATOM 551 CA ALA A 38 -14.457 1.692 -24.657 1.00 0.00 C ATOM 552 C ALA A 38 -13.099 2.294 -24.312 1.00 0.00 C ATOM 553 O ALA A 38 -12.457 2.926 -25.152 1.00 0.00 O ATOM 554 CB ALA A 38 -14.283 0.312 -25.274 1.00 0.00 C ATOM 0 H ALA A 38 -15.319 2.187 -26.502 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.028 1.596 -23.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.725 -0.325 -24.588 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.262 -0.128 -25.463 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.737 0.400 -26.213 1.00 0.00 H new ATOM 560 N CYS A 39 -12.666 2.094 -23.071 1.00 0.00 N ATOM 561 CA CYS A 39 -11.385 2.618 -22.614 1.00 0.00 C ATOM 562 C CYS A 39 -10.230 1.965 -23.368 1.00 0.00 C ATOM 563 O CYS A 39 -10.235 0.757 -23.606 1.00 0.00 O ATOM 564 CB CYS A 39 -11.223 2.387 -21.111 1.00 0.00 C ATOM 565 SG CYS A 39 -9.661 3.026 -20.425 1.00 0.00 S ATOM 0 H CYS A 39 -13.184 1.572 -22.364 1.00 0.00 H new ATOM 0 HA CYS A 39 -11.367 3.689 -22.814 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.056 2.859 -20.590 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.285 1.318 -20.910 1.00 0.00 H new ATOM 570 N ASP A 40 -9.243 2.772 -23.740 1.00 0.00 N ATOM 571 CA ASP A 40 -8.080 2.273 -24.466 1.00 0.00 C ATOM 572 C ASP A 40 -7.028 1.734 -23.502 1.00 0.00 C ATOM 573 O ASP A 40 -5.862 1.577 -23.864 1.00 0.00 O ATOM 574 CB ASP A 40 -7.477 3.382 -25.330 1.00 0.00 C ATOM 575 CG ASP A 40 -6.755 2.839 -26.547 1.00 0.00 C ATOM 576 OD1 ASP A 40 -6.133 1.762 -26.437 1.00 0.00 O ATOM 577 OD2 ASP A 40 -6.812 3.492 -27.611 1.00 0.00 O ATOM 0 H ASP A 40 -9.224 3.774 -23.551 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.408 1.458 -25.111 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.269 4.058 -25.652 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.781 3.969 -24.730 1.00 0.00 H new ATOM 582 N TYR A 41 -7.448 1.454 -22.273 1.00 0.00 N ATOM 583 CA TYR A 41 -6.541 0.935 -21.255 1.00 0.00 C ATOM 584 C TYR A 41 -7.092 -0.346 -20.637 1.00 0.00 C ATOM 585 O TYR A 41 -6.335 -1.236 -20.246 1.00 0.00 O ATOM 586 CB TYR A 41 -6.312 1.984 -20.165 1.00 0.00 C ATOM 587 CG TYR A 41 -5.680 3.259 -20.675 1.00 0.00 C ATOM 588 CD1 TYR A 41 -6.310 4.031 -21.644 1.00 0.00 C ATOM 589 CD2 TYR A 41 -4.454 3.694 -20.187 1.00 0.00 C ATOM 590 CE1 TYR A 41 -5.736 5.196 -22.113 1.00 0.00 C ATOM 591 CE2 TYR A 41 -3.873 4.859 -20.649 1.00 0.00 C ATOM 592 CZ TYR A 41 -4.518 5.606 -21.613 1.00 0.00 C ATOM 593 OH TYR A 41 -3.944 6.768 -22.076 1.00 0.00 O ATOM 0 H TYR A 41 -8.410 1.578 -21.957 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.589 0.705 -21.734 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.267 2.224 -19.697 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.675 1.557 -19.390 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.265 3.714 -22.037 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.946 3.111 -19.433 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.238 5.783 -22.868 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.920 5.183 -20.258 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.088 6.914 -21.621 1.00 0.00 H new ATOM 603 N CYS A 42 -8.415 -0.433 -20.552 1.00 0.00 N ATOM 604 CA CYS A 42 -9.070 -1.604 -19.982 1.00 0.00 C ATOM 605 C CYS A 42 -10.376 -1.906 -20.711 1.00 0.00 C ATOM 606 O CYS A 42 -10.709 -1.258 -21.703 1.00 0.00 O ATOM 607 CB CYS A 42 -9.342 -1.387 -18.492 1.00 0.00 C ATOM 608 SG CYS A 42 -10.528 -0.050 -18.140 1.00 0.00 S ATOM 0 H CYS A 42 -9.055 0.294 -20.871 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.403 -2.457 -20.102 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.720 -2.315 -18.064 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.400 -1.164 -17.990 1.00 0.00 H new ATOM 613 N SER A 43 -11.112 -2.893 -20.210 1.00 0.00 N ATOM 614 CA SER A 43 -12.380 -3.283 -20.815 1.00 0.00 C ATOM 615 C SER A 43 -13.516 -2.394 -20.317 1.00 0.00 C ATOM 616 O SER A 43 -14.641 -2.854 -20.124 1.00 0.00 O ATOM 617 CB SER A 43 -12.690 -4.748 -20.501 1.00 0.00 C ATOM 618 OG SER A 43 -13.617 -5.284 -21.430 1.00 0.00 O ATOM 0 H SER A 43 -10.852 -3.437 -19.387 1.00 0.00 H new ATOM 0 HA SER A 43 -12.292 -3.160 -21.894 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.769 -5.331 -20.524 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.094 -4.829 -19.492 1.00 0.00 H new ATOM 0 HG SER A 43 -14.430 -4.736 -21.435 1.00 0.00 H new ATOM 624 N PHE A 44 -13.212 -1.116 -20.111 1.00 0.00 N ATOM 625 CA PHE A 44 -14.206 -0.161 -19.635 1.00 0.00 C ATOM 626 C PHE A 44 -14.995 0.429 -20.800 1.00 0.00 C ATOM 627 O PHE A 44 -14.534 0.427 -21.942 1.00 0.00 O ATOM 628 CB PHE A 44 -13.529 0.959 -18.843 1.00 0.00 C ATOM 629 CG PHE A 44 -14.436 2.119 -18.550 1.00 0.00 C ATOM 630 CD1 PHE A 44 -14.590 3.145 -19.470 1.00 0.00 C ATOM 631 CD2 PHE A 44 -15.136 2.185 -17.356 1.00 0.00 C ATOM 632 CE1 PHE A 44 -15.425 4.214 -19.204 1.00 0.00 C ATOM 633 CE2 PHE A 44 -15.972 3.252 -17.085 1.00 0.00 C ATOM 634 CZ PHE A 44 -16.116 4.268 -18.010 1.00 0.00 C ATOM 0 H PHE A 44 -12.286 -0.718 -20.266 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.899 -0.691 -18.982 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -13.156 0.554 -17.903 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -12.664 1.317 -19.402 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -14.051 3.108 -20.405 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.027 1.394 -16.629 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.537 5.006 -19.929 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.512 3.291 -16.151 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.768 5.103 -17.799 1.00 0.00 H new ATOM 644 N THR A 45 -16.187 0.936 -20.503 1.00 0.00 N ATOM 645 CA THR A 45 -17.042 1.528 -21.525 1.00 0.00 C ATOM 646 C THR A 45 -17.952 2.596 -20.928 1.00 0.00 C ATOM 647 O THR A 45 -18.269 2.561 -19.739 1.00 0.00 O ATOM 648 CB THR A 45 -17.908 0.462 -22.220 1.00 0.00 C ATOM 649 OG1 THR A 45 -18.511 -0.394 -21.243 1.00 0.00 O ATOM 650 CG2 THR A 45 -17.074 -0.369 -23.184 1.00 0.00 C ATOM 0 H THR A 45 -16.583 0.949 -19.563 1.00 0.00 H new ATOM 0 HA THR A 45 -16.383 1.986 -22.262 1.00 0.00 H new ATOM 0 HB THR A 45 -18.688 0.972 -22.786 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.061 -1.068 -21.694 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.708 -1.115 -23.663 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.641 0.281 -23.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.275 -0.869 -22.636 1.00 0.00 H new ATOM 658 N CYS A 46 -18.369 3.543 -21.761 1.00 0.00 N ATOM 659 CA CYS A 46 -19.244 4.622 -21.315 1.00 0.00 C ATOM 660 C CYS A 46 -20.086 5.152 -22.471 1.00 0.00 C ATOM 661 O CYS A 46 -19.758 4.942 -23.639 1.00 0.00 O ATOM 662 CB CYS A 46 -18.419 5.757 -20.707 1.00 0.00 C ATOM 663 SG CYS A 46 -19.410 7.075 -19.965 1.00 0.00 S ATOM 0 H CYS A 46 -18.116 3.586 -22.748 1.00 0.00 H new ATOM 0 HA CYS A 46 -19.915 4.222 -20.554 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.757 5.343 -19.947 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.785 6.187 -21.483 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.975 7.322 -18.765 1.00 0.00 H new ATOM 669 N LEU A 47 -21.174 5.837 -22.137 1.00 0.00 N ATOM 670 CA LEU A 47 -22.066 6.397 -23.148 1.00 0.00 C ATOM 671 C LEU A 47 -21.784 7.880 -23.361 1.00 0.00 C ATOM 672 O LEU A 47 -22.685 8.652 -23.689 1.00 0.00 O ATOM 673 CB LEU A 47 -23.525 6.196 -22.735 1.00 0.00 C ATOM 674 CG LEU A 47 -24.048 4.761 -22.794 1.00 0.00 C ATOM 675 CD1 LEU A 47 -24.187 4.302 -24.237 1.00 0.00 C ATOM 676 CD2 LEU A 47 -23.129 3.826 -22.021 1.00 0.00 C ATOM 0 H LEU A 47 -21.460 6.018 -21.175 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.886 5.874 -24.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.647 6.564 -21.716 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -24.152 6.816 -23.376 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.034 4.735 -22.330 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -24.561 3.278 -24.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -24.886 4.954 -24.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -23.214 4.344 -24.727 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.517 2.809 -22.074 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -22.130 3.856 -22.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -23.081 4.142 -20.979 1.00 0.00 H new ATOM 688 N SER A 48 -20.528 8.272 -23.174 1.00 0.00 N ATOM 689 CA SER A 48 -20.128 9.664 -23.344 1.00 0.00 C ATOM 690 C SER A 48 -18.629 9.770 -23.609 1.00 0.00 C ATOM 691 O SER A 48 -17.833 9.017 -23.049 1.00 0.00 O ATOM 692 CB SER A 48 -20.497 10.478 -22.102 1.00 0.00 C ATOM 693 OG SER A 48 -21.903 10.583 -21.959 1.00 0.00 O ATOM 0 H SER A 48 -19.770 7.645 -22.905 1.00 0.00 H new ATOM 0 HA SER A 48 -20.661 10.067 -24.205 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.073 10.007 -21.215 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.060 11.474 -22.174 1.00 0.00 H new ATOM 0 HG SER A 48 -22.343 10.022 -22.631 1.00 0.00 H new ATOM 699 N LYS A 49 -18.252 10.712 -24.467 1.00 0.00 N ATOM 700 CA LYS A 49 -16.850 10.920 -24.808 1.00 0.00 C ATOM 701 C LYS A 49 -16.116 11.635 -23.678 1.00 0.00 C ATOM 702 O LYS A 49 -15.044 11.206 -23.252 1.00 0.00 O ATOM 703 CB LYS A 49 -16.732 11.730 -26.101 1.00 0.00 C ATOM 704 CG LYS A 49 -17.906 11.541 -27.046 1.00 0.00 C ATOM 705 CD LYS A 49 -17.560 11.979 -28.459 1.00 0.00 C ATOM 706 CE LYS A 49 -18.805 12.364 -29.244 1.00 0.00 C ATOM 707 NZ LYS A 49 -18.467 12.908 -30.588 1.00 0.00 N ATOM 0 H LYS A 49 -18.899 11.344 -24.939 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.389 9.943 -24.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.644 12.787 -25.851 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.813 11.447 -26.615 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.205 10.493 -27.052 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.760 12.114 -26.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.876 12.827 -28.421 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.039 11.172 -28.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.448 11.491 -29.357 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.372 13.107 -28.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.342 13.158 -31.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.875 13.756 -30.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.948 12.190 -31.133 1.00 0.00 H new ATOM 721 N GLY A 50 -16.701 12.727 -23.197 1.00 0.00 N ATOM 722 CA GLY A 50 -16.088 13.483 -22.120 1.00 0.00 C ATOM 723 C GLY A 50 -15.829 12.635 -20.891 1.00 0.00 C ATOM 724 O GLY A 50 -14.763 12.723 -20.281 1.00 0.00 O ATOM 0 H GLY A 50 -17.588 13.102 -23.533 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.147 13.909 -22.469 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.736 14.318 -21.852 1.00 0.00 H new ATOM 728 N HIS A 51 -16.806 11.812 -20.524 1.00 0.00 N ATOM 729 CA HIS A 51 -16.678 10.945 -19.359 1.00 0.00 C ATOM 730 C HIS A 51 -15.534 9.952 -19.543 1.00 0.00 C ATOM 731 O HIS A 51 -14.676 9.810 -18.671 1.00 0.00 O ATOM 732 CB HIS A 51 -17.986 10.193 -19.110 1.00 0.00 C ATOM 733 CG HIS A 51 -18.214 9.847 -17.671 1.00 0.00 C ATOM 734 ND1 HIS A 51 -19.446 9.482 -17.170 1.00 0.00 N ATOM 735 CD2 HIS A 51 -17.358 9.809 -16.623 1.00 0.00 C ATOM 736 CE1 HIS A 51 -19.338 9.237 -15.876 1.00 0.00 C ATOM 737 NE2 HIS A 51 -18.081 9.428 -15.520 1.00 0.00 N ATOM 0 H HIS A 51 -17.695 11.728 -21.017 1.00 0.00 H new ATOM 0 HA HIS A 51 -16.457 11.571 -18.494 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.818 10.801 -19.465 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.986 9.276 -19.700 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -16.303 10.036 -16.650 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -20.141 8.932 -15.221 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.708 9.311 -14.578 1.00 0.00 H new ATOM 745 N LEU A 52 -15.530 9.267 -20.681 1.00 0.00 N ATOM 746 CA LEU A 52 -14.491 8.286 -20.979 1.00 0.00 C ATOM 747 C LEU A 52 -13.116 8.809 -20.577 1.00 0.00 C ATOM 748 O LEU A 52 -12.319 8.091 -19.973 1.00 0.00 O ATOM 749 CB LEU A 52 -14.502 7.941 -22.469 1.00 0.00 C ATOM 750 CG LEU A 52 -13.267 7.210 -22.998 1.00 0.00 C ATOM 751 CD1 LEU A 52 -13.005 5.950 -22.188 1.00 0.00 C ATOM 752 CD2 LEU A 52 -13.437 6.873 -24.472 1.00 0.00 C ATOM 0 H LEU A 52 -16.233 9.372 -21.412 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.699 7.385 -20.401 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.379 7.326 -22.673 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.623 8.865 -23.035 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.406 7.870 -22.894 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.123 5.443 -22.579 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.838 6.217 -21.144 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.866 5.286 -22.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.549 6.353 -24.831 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.309 6.232 -24.600 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.575 7.792 -25.042 1.00 0.00 H new ATOM 764 N LYS A 53 -12.846 10.066 -20.912 1.00 0.00 N ATOM 765 CA LYS A 53 -11.569 10.688 -20.583 1.00 0.00 C ATOM 766 C LYS A 53 -11.332 10.681 -19.076 1.00 0.00 C ATOM 767 O LYS A 53 -10.277 10.255 -18.605 1.00 0.00 O ATOM 768 CB LYS A 53 -11.527 12.124 -21.110 1.00 0.00 C ATOM 769 CG LYS A 53 -10.747 13.076 -20.220 1.00 0.00 C ATOM 770 CD LYS A 53 -11.663 13.823 -19.264 1.00 0.00 C ATOM 771 CE LYS A 53 -12.070 15.177 -19.826 1.00 0.00 C ATOM 772 NZ LYS A 53 -12.907 15.041 -21.050 1.00 0.00 N ATOM 0 H LYS A 53 -13.495 10.674 -21.411 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.778 10.109 -21.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.083 12.124 -22.105 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.547 12.493 -21.216 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.004 12.517 -19.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.204 13.791 -20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.554 13.226 -19.070 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.158 13.961 -18.308 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.622 15.733 -19.069 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.177 15.757 -20.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.357 15.953 -21.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.308 14.753 -21.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.641 14.322 -20.890 1.00 0.00 H new ATOM 786 N VAL A 54 -12.321 11.154 -18.324 1.00 0.00 N ATOM 787 CA VAL A 54 -12.221 11.199 -16.871 1.00 0.00 C ATOM 788 C VAL A 54 -11.818 9.842 -16.305 1.00 0.00 C ATOM 789 O VAL A 54 -10.980 9.756 -15.406 1.00 0.00 O ATOM 790 CB VAL A 54 -13.553 11.635 -16.230 1.00 0.00 C ATOM 791 CG1 VAL A 54 -13.555 11.328 -14.740 1.00 0.00 C ATOM 792 CG2 VAL A 54 -13.803 13.115 -16.478 1.00 0.00 C ATOM 0 H VAL A 54 -13.200 11.511 -18.698 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.452 11.933 -16.629 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.362 11.070 -16.694 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.503 11.643 -14.305 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.425 10.256 -14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.738 11.864 -14.257 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.748 13.406 -16.019 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.992 13.699 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.848 13.302 -17.551 1.00 0.00 H new ATOM 802 N HIS A 55 -12.419 8.783 -16.837 1.00 0.00 N ATOM 803 CA HIS A 55 -12.122 7.428 -16.386 1.00 0.00 C ATOM 804 C HIS A 55 -10.618 7.173 -16.387 1.00 0.00 C ATOM 805 O HIS A 55 -10.081 6.565 -15.461 1.00 0.00 O ATOM 806 CB HIS A 55 -12.825 6.405 -17.277 1.00 0.00 C ATOM 807 CG HIS A 55 -12.255 5.024 -17.170 1.00 0.00 C ATOM 808 ND1 HIS A 55 -12.663 4.113 -16.220 1.00 0.00 N ATOM 809 CD2 HIS A 55 -11.303 4.400 -17.903 1.00 0.00 C ATOM 810 CE1 HIS A 55 -11.986 2.989 -16.371 1.00 0.00 C ATOM 811 NE2 HIS A 55 -11.154 3.137 -17.386 1.00 0.00 N ATOM 0 H HIS A 55 -13.115 8.837 -17.581 1.00 0.00 H new ATOM 0 HA HIS A 55 -12.490 7.323 -15.366 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.883 6.374 -17.015 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.763 6.735 -18.314 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.377 4.281 -15.511 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.762 4.818 -18.739 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.094 2.100 -15.767 1.00 0.00 H new ATOM 819 N ILE A 56 -9.944 7.640 -17.433 1.00 0.00 N ATOM 820 CA ILE A 56 -8.503 7.462 -17.554 1.00 0.00 C ATOM 821 C ILE A 56 -7.751 8.436 -16.653 1.00 0.00 C ATOM 822 O ILE A 56 -6.599 8.198 -16.290 1.00 0.00 O ATOM 823 CB ILE A 56 -8.031 7.658 -19.007 1.00 0.00 C ATOM 824 CG1 ILE A 56 -8.747 6.673 -19.935 1.00 0.00 C ATOM 825 CG2 ILE A 56 -6.523 7.484 -19.103 1.00 0.00 C ATOM 826 CD1 ILE A 56 -8.791 7.125 -21.378 1.00 0.00 C ATOM 0 H ILE A 56 -10.373 8.144 -18.209 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.285 6.440 -17.244 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.280 8.672 -19.321 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.247 5.706 -19.881 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.766 6.525 -19.578 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.205 7.626 -20.136 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.031 8.220 -18.468 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.251 6.481 -18.774 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.313 6.379 -21.977 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.317 8.077 -21.445 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.775 7.245 -21.753 1.00 0.00 H new ATOM 838 N GLU A 57 -8.412 9.532 -16.293 1.00 0.00 N ATOM 839 CA GLU A 57 -7.806 10.541 -15.433 1.00 0.00 C ATOM 840 C GLU A 57 -7.997 10.187 -13.961 1.00 0.00 C ATOM 841 O GLU A 57 -7.401 10.807 -13.080 1.00 0.00 O ATOM 842 CB GLU A 57 -8.409 11.918 -15.721 1.00 0.00 C ATOM 843 CG GLU A 57 -8.213 12.381 -17.154 1.00 0.00 C ATOM 844 CD GLU A 57 -8.251 13.890 -17.290 1.00 0.00 C ATOM 845 OE1 GLU A 57 -9.100 14.524 -16.629 1.00 0.00 O ATOM 846 OE2 GLU A 57 -7.433 14.439 -18.058 1.00 0.00 O ATOM 0 H GLU A 57 -9.367 9.743 -16.584 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.737 10.569 -15.646 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.476 11.891 -15.499 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.962 12.649 -15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.257 12.011 -17.524 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.989 11.944 -17.782 1.00 0.00 H new ATOM 853 N ARG A 58 -8.834 9.188 -13.703 1.00 0.00 N ATOM 854 CA ARG A 58 -9.106 8.752 -12.338 1.00 0.00 C ATOM 855 C ARG A 58 -8.597 7.332 -12.109 1.00 0.00 C ATOM 856 O ARG A 58 -8.088 7.010 -11.035 1.00 0.00 O ATOM 857 CB ARG A 58 -10.607 8.820 -12.048 1.00 0.00 C ATOM 858 CG ARG A 58 -11.367 7.577 -12.481 1.00 0.00 C ATOM 859 CD ARG A 58 -12.827 7.890 -12.770 1.00 0.00 C ATOM 860 NE ARG A 58 -13.640 6.679 -12.852 1.00 0.00 N ATOM 861 CZ ARG A 58 -14.095 6.026 -11.789 1.00 0.00 C ATOM 862 NH1 ARG A 58 -13.819 6.465 -10.569 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.829 4.932 -11.945 1.00 0.00 N ATOM 0 H ARG A 58 -9.336 8.665 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.580 9.422 -11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.756 8.973 -10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.028 9.688 -12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.901 7.156 -13.372 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.304 6.820 -11.700 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.221 8.539 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.901 8.441 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.871 6.315 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.256 7.306 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.170 5.961 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.044 4.592 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.178 4.431 -11.128 1.00 0.00 H new ATOM 877 N VAL A 59 -8.738 6.487 -13.125 1.00 0.00 N ATOM 878 CA VAL A 59 -8.291 5.102 -13.035 1.00 0.00 C ATOM 879 C VAL A 59 -6.833 4.966 -13.458 1.00 0.00 C ATOM 880 O VAL A 59 -5.970 4.620 -12.650 1.00 0.00 O ATOM 881 CB VAL A 59 -9.157 4.175 -13.910 1.00 0.00 C ATOM 882 CG1 VAL A 59 -8.580 2.768 -13.931 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.594 4.164 -13.412 1.00 0.00 C ATOM 0 H VAL A 59 -9.158 6.737 -14.020 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.392 4.804 -11.991 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.153 4.558 -14.930 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.205 2.128 -14.554 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.569 2.795 -14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.552 2.371 -12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.192 3.505 -14.041 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.620 3.806 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.002 5.174 -13.455 1.00 0.00 H new ATOM 893 N HIS A 60 -6.564 5.240 -14.731 1.00 0.00 N ATOM 894 CA HIS A 60 -5.208 5.149 -15.262 1.00 0.00 C ATOM 895 C HIS A 60 -4.529 6.515 -15.253 1.00 0.00 C ATOM 896 O HIS A 60 -3.864 6.896 -16.216 1.00 0.00 O ATOM 897 CB HIS A 60 -5.232 4.588 -16.684 1.00 0.00 C ATOM 898 CG HIS A 60 -6.236 3.494 -16.879 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.979 2.174 -16.577 1.00 0.00 N ATOM 900 CD2 HIS A 60 -7.505 3.531 -17.349 1.00 0.00 C ATOM 901 CE1 HIS A 60 -7.046 1.445 -16.853 1.00 0.00 C ATOM 902 NE2 HIS A 60 -7.987 2.245 -17.322 1.00 0.00 N ATOM 0 H HIS A 60 -7.266 5.527 -15.413 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.638 4.475 -14.623 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.448 5.397 -17.381 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.241 4.209 -16.933 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.102 1.816 -16.199 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.039 4.408 -17.683 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.134 0.377 -16.718 1.00 0.00 H new ATOM 910 N LYS A 61 -4.701 7.249 -14.159 1.00 0.00 N ATOM 911 CA LYS A 61 -4.104 8.573 -14.023 1.00 0.00 C ATOM 912 C LYS A 61 -2.618 8.469 -13.696 1.00 0.00 C ATOM 913 O LYS A 61 -2.240 8.123 -12.577 1.00 0.00 O ATOM 914 CB LYS A 61 -4.823 9.369 -12.931 1.00 0.00 C ATOM 915 CG LYS A 61 -4.538 10.860 -12.978 1.00 0.00 C ATOM 916 CD LYS A 61 -3.243 11.204 -12.261 1.00 0.00 C ATOM 917 CE LYS A 61 -3.322 10.870 -10.779 1.00 0.00 C ATOM 918 NZ LYS A 61 -2.248 11.547 -10.000 1.00 0.00 N ATOM 0 H LYS A 61 -5.249 6.949 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.213 9.093 -14.975 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.897 9.210 -13.025 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.527 8.982 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.478 11.187 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.364 11.404 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.417 10.656 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.028 12.265 -12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.296 11.169 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.243 9.791 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.336 11.294 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.318 11.243 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.339 12.578 -10.107 1.00 0.00 H new ATOM 932 N LYS A 62 -1.778 8.771 -14.681 1.00 0.00 N ATOM 933 CA LYS A 62 -0.333 8.715 -14.498 1.00 0.00 C ATOM 934 C LYS A 62 0.158 7.271 -14.485 1.00 0.00 C ATOM 935 O LYS A 62 0.788 6.829 -13.523 1.00 0.00 O ATOM 936 CB LYS A 62 0.065 9.412 -13.195 1.00 0.00 C ATOM 937 CG LYS A 62 1.541 9.761 -13.118 1.00 0.00 C ATOM 938 CD LYS A 62 1.884 10.937 -14.017 1.00 0.00 C ATOM 939 CE LYS A 62 1.376 12.248 -13.437 1.00 0.00 C ATOM 940 NZ LYS A 62 1.594 13.388 -14.370 1.00 0.00 N ATOM 0 H LYS A 62 -2.074 9.057 -15.614 1.00 0.00 H new ATOM 0 HA LYS A 62 0.134 9.232 -15.336 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.522 10.324 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.191 8.767 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.806 10.000 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.136 8.895 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.964 10.991 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.448 10.781 -15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.313 12.159 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.883 12.449 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.543 14.283 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.531 13.300 -14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.860 13.378 -15.107 1.00 0.00 H new ATOM 954 N ILE A 63 -0.133 6.542 -15.557 1.00 0.00 N ATOM 955 CA ILE A 63 0.282 5.149 -15.668 1.00 0.00 C ATOM 956 C ILE A 63 1.799 5.019 -15.591 1.00 0.00 C ATOM 957 O ILE A 63 2.531 5.746 -16.264 1.00 0.00 O ATOM 958 CB ILE A 63 -0.210 4.519 -16.985 1.00 0.00 C ATOM 959 CG1 ILE A 63 0.223 3.054 -17.067 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.321 5.301 -18.177 1.00 0.00 C ATOM 961 CD1 ILE A 63 -0.659 2.213 -17.963 1.00 0.00 C ATOM 0 H ILE A 63 -0.654 6.893 -16.361 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.168 4.618 -14.829 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.299 4.559 -17.005 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.249 3.007 -17.432 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.222 2.626 -16.064 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.035 4.844 -19.100 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.032 6.331 -18.123 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.411 5.289 -18.163 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.293 1.186 -17.974 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.682 2.230 -17.586 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.639 2.616 -18.976 1.00 0.00 H new ATOM 973 N LYS A 64 2.267 4.087 -14.768 1.00 0.00 N ATOM 974 CA LYS A 64 3.697 3.857 -14.604 1.00 0.00 C ATOM 975 C LYS A 64 4.343 3.478 -15.933 1.00 0.00 C ATOM 976 O LYS A 64 3.789 2.691 -16.700 1.00 0.00 O ATOM 977 CB LYS A 64 3.943 2.754 -13.572 1.00 0.00 C ATOM 978 CG LYS A 64 3.361 3.061 -12.203 1.00 0.00 C ATOM 979 CD LYS A 64 3.301 1.818 -11.331 1.00 0.00 C ATOM 980 CE LYS A 64 2.479 2.059 -10.074 1.00 0.00 C ATOM 981 NZ LYS A 64 3.259 2.782 -9.032 1.00 0.00 N ATOM 0 H LYS A 64 1.675 3.478 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 64 4.150 4.783 -14.251 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.513 1.822 -13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.017 2.593 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.967 3.822 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.359 3.475 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.867 0.995 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.311 1.517 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.589 2.635 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.137 1.104 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.664 2.927 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.095 2.220 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.564 3.704 -9.404 1.00 0.00 H new ATOM 995 N GLN A 65 5.518 4.042 -16.197 1.00 0.00 N ATOM 996 CA GLN A 65 6.238 3.762 -17.433 1.00 0.00 C ATOM 997 C GLN A 65 7.569 3.075 -17.143 1.00 0.00 C ATOM 998 O GLN A 65 8.417 3.615 -16.432 1.00 0.00 O ATOM 999 CB GLN A 65 6.478 5.055 -18.213 1.00 0.00 C ATOM 1000 CG GLN A 65 5.206 5.835 -18.504 1.00 0.00 C ATOM 1001 CD GLN A 65 4.332 5.160 -19.542 1.00 0.00 C ATOM 1002 OE1 GLN A 65 3.193 4.784 -19.262 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.861 5.002 -20.750 1.00 0.00 N ATOM 0 H GLN A 65 5.991 4.695 -15.572 1.00 0.00 H new ATOM 0 HA GLN A 65 5.626 3.091 -18.036 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.162 5.689 -17.648 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.971 4.815 -19.155 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.639 5.956 -17.581 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.469 6.835 -18.850 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.809 5.329 -20.938 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.319 4.554 -21.489 1.00 0.00 H new ATOM 1012 N HIS A 66 7.746 1.880 -17.699 1.00 0.00 N ATOM 1013 CA HIS A 66 8.974 1.119 -17.500 1.00 0.00 C ATOM 1014 C HIS A 66 9.762 1.010 -18.802 1.00 0.00 C ATOM 1015 O HIS A 66 9.206 0.683 -19.851 1.00 0.00 O ATOM 1016 CB HIS A 66 8.653 -0.278 -16.966 1.00 0.00 C ATOM 1017 CG HIS A 66 7.649 -1.019 -17.794 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.293 -0.775 -17.729 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.809 -2.002 -18.710 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.663 -1.578 -18.569 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.561 -2.332 -19.177 1.00 0.00 N ATOM 0 H HIS A 66 7.055 1.419 -18.290 1.00 0.00 H new ATOM 0 HA HIS A 66 9.585 1.647 -16.769 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.573 -0.860 -16.918 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.278 -0.191 -15.946 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.745 -2.445 -19.017 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.596 -1.612 -18.731 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.360 -3.044 -19.879 1.00 0.00 H new ATOM 1029 N CYS A 67 11.060 1.285 -18.727 1.00 0.00 N ATOM 1030 CA CYS A 67 11.925 1.220 -19.899 1.00 0.00 C ATOM 1031 C CYS A 67 11.906 -0.178 -20.511 1.00 0.00 C ATOM 1032 O CYS A 67 11.562 -1.154 -19.844 1.00 0.00 O ATOM 1033 CB CYS A 67 13.357 1.605 -19.523 1.00 0.00 C ATOM 1034 SG CYS A 67 14.439 1.929 -20.953 1.00 0.00 S ATOM 0 H CYS A 67 11.536 1.555 -17.866 1.00 0.00 H new ATOM 0 HA CYS A 67 11.548 1.927 -20.639 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.329 2.494 -18.893 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.792 0.804 -18.925 1.00 0.00 H new ATOM 1039 N ARG A 68 12.279 -0.265 -21.784 1.00 0.00 N ATOM 1040 CA ARG A 68 12.305 -1.543 -22.486 1.00 0.00 C ATOM 1041 C ARG A 68 13.738 -2.030 -22.675 1.00 0.00 C ATOM 1042 O ARG A 68 13.969 -3.176 -23.063 1.00 0.00 O ATOM 1043 CB ARG A 68 11.614 -1.415 -23.845 1.00 0.00 C ATOM 1044 CG ARG A 68 12.418 -0.626 -24.865 1.00 0.00 C ATOM 1045 CD ARG A 68 13.311 -1.535 -25.696 1.00 0.00 C ATOM 1046 NE ARG A 68 12.568 -2.212 -26.755 1.00 0.00 N ATOM 1047 CZ ARG A 68 13.146 -2.903 -27.731 1.00 0.00 C ATOM 1048 NH1 ARG A 68 14.466 -3.008 -27.782 1.00 0.00 N ATOM 1049 NH2 ARG A 68 12.402 -3.491 -28.660 1.00 0.00 N ATOM 0 H ARG A 68 12.567 0.533 -22.350 1.00 0.00 H new ATOM 0 HA ARG A 68 11.769 -2.274 -21.881 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.421 -2.412 -24.240 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.646 -0.934 -23.707 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.740 -0.081 -25.522 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.030 0.116 -24.352 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.116 -0.948 -26.137 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.776 -2.278 -25.048 1.00 0.00 H new ATOM 0 HE ARG A 68 11.550 -2.151 -26.745 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.041 -2.557 -27.070 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.907 -3.539 -28.533 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.386 -3.412 -28.625 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.847 -4.021 -29.409 1.00 0.00 H new ATOM 1063 N PHE A 69 14.697 -1.153 -22.400 1.00 0.00 N ATOM 1064 CA PHE A 69 16.108 -1.493 -22.542 1.00 0.00 C ATOM 1065 C PHE A 69 16.654 -2.098 -21.252 1.00 0.00 C ATOM 1066 O PHE A 69 17.345 -3.117 -21.274 1.00 0.00 O ATOM 1067 CB PHE A 69 16.919 -0.252 -22.919 1.00 0.00 C ATOM 1068 CG PHE A 69 16.436 0.423 -24.171 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.458 -0.244 -25.385 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.959 1.723 -24.133 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.014 0.374 -26.539 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.514 2.347 -25.284 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.540 1.671 -26.488 1.00 0.00 C ATOM 0 H PHE A 69 14.523 -0.201 -22.077 1.00 0.00 H new ATOM 0 HA PHE A 69 16.199 -2.233 -23.337 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.882 0.460 -22.095 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.963 -0.536 -23.049 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.826 -1.258 -25.430 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.934 2.255 -23.194 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.038 -0.156 -27.480 1.00 0.00 H new ATOM 0 HE2 PHE A 69 15.147 3.362 -25.241 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.191 2.155 -27.388 1.00 0.00 H new ATOM 1083 N CYS A 70 16.338 -1.463 -20.128 1.00 0.00 N ATOM 1084 CA CYS A 70 16.796 -1.936 -18.827 1.00 0.00 C ATOM 1085 C CYS A 70 15.613 -2.279 -17.926 1.00 0.00 C ATOM 1086 O CYS A 70 15.754 -2.369 -16.706 1.00 0.00 O ATOM 1087 CB CYS A 70 17.673 -0.878 -18.156 1.00 0.00 C ATOM 1088 SG CYS A 70 16.914 0.776 -18.077 1.00 0.00 S ATOM 0 H CYS A 70 15.766 -0.619 -20.092 1.00 0.00 H new ATOM 0 HA CYS A 70 17.385 -2.840 -18.983 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.909 -1.206 -17.144 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.617 -0.807 -18.697 1.00 0.00 H new ATOM 1093 N LYS A 71 14.448 -2.469 -18.535 1.00 0.00 N ATOM 1094 CA LYS A 71 13.240 -2.803 -17.789 1.00 0.00 C ATOM 1095 C LYS A 71 13.157 -1.996 -16.498 1.00 0.00 C ATOM 1096 O LYS A 71 12.798 -2.523 -15.445 1.00 0.00 O ATOM 1097 CB LYS A 71 13.211 -4.300 -17.470 1.00 0.00 C ATOM 1098 CG LYS A 71 13.314 -5.186 -18.699 1.00 0.00 C ATOM 1099 CD LYS A 71 11.942 -5.535 -19.252 1.00 0.00 C ATOM 1100 CE LYS A 71 11.513 -4.559 -20.337 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.050 -4.632 -20.601 1.00 0.00 N ATOM 0 H LYS A 71 14.314 -2.397 -19.544 1.00 0.00 H new ATOM 0 HA LYS A 71 12.379 -2.553 -18.409 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.033 -4.535 -16.793 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.287 -4.532 -16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.898 -4.678 -19.467 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.848 -6.101 -18.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.959 -6.547 -19.657 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.210 -5.527 -18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.778 -3.545 -20.039 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.059 -4.774 -21.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.797 -3.952 -21.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.801 -5.593 -20.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.528 -4.402 -19.731 1.00 0.00 H new ATOM 1115 N LYS A 72 13.488 -0.712 -16.586 1.00 0.00 N ATOM 1116 CA LYS A 72 13.448 0.171 -15.426 1.00 0.00 C ATOM 1117 C LYS A 72 12.074 0.817 -15.282 1.00 0.00 C ATOM 1118 O LYS A 72 11.669 1.632 -16.110 1.00 0.00 O ATOM 1119 CB LYS A 72 14.523 1.254 -15.546 1.00 0.00 C ATOM 1120 CG LYS A 72 14.922 1.864 -14.214 1.00 0.00 C ATOM 1121 CD LYS A 72 16.177 1.214 -13.657 1.00 0.00 C ATOM 1122 CE LYS A 72 16.239 1.330 -12.141 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.559 0.895 -11.605 1.00 0.00 N ATOM 0 H LYS A 72 13.787 -0.259 -17.450 1.00 0.00 H new ATOM 0 HA LYS A 72 13.643 -0.429 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.407 0.826 -16.020 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.160 2.044 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.090 2.934 -14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.105 1.750 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.202 0.163 -13.944 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.057 1.685 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.050 2.363 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.449 0.723 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.561 0.989 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.728 -0.098 -11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.311 1.490 -12.008 1.00 0.00 H new ATOM 1137 N LYS A 73 11.361 0.449 -14.223 1.00 0.00 N ATOM 1138 CA LYS A 73 10.033 0.994 -13.967 1.00 0.00 C ATOM 1139 C LYS A 73 10.123 2.426 -13.450 1.00 0.00 C ATOM 1140 O LYS A 73 10.873 2.714 -12.517 1.00 0.00 O ATOM 1141 CB LYS A 73 9.287 0.122 -12.954 1.00 0.00 C ATOM 1142 CG LYS A 73 8.375 0.908 -12.029 1.00 0.00 C ATOM 1143 CD LYS A 73 7.178 0.081 -11.591 1.00 0.00 C ATOM 1144 CE LYS A 73 6.528 0.658 -10.343 1.00 0.00 C ATOM 1145 NZ LYS A 73 7.397 0.504 -9.143 1.00 0.00 N ATOM 0 H LYS A 73 11.681 -0.225 -13.528 1.00 0.00 H new ATOM 0 HA LYS A 73 9.483 0.999 -14.908 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.694 -0.618 -13.492 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.014 -0.426 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.936 1.231 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.030 1.809 -12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.447 0.042 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.494 -0.944 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.312 1.714 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.574 0.160 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.818 0.585 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.856 -0.429 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.124 1.248 -9.143 1.00 0.00 H new ATOM 1159 N TYR A 74 9.354 3.320 -14.061 1.00 0.00 N ATOM 1160 CA TYR A 74 9.349 4.723 -13.664 1.00 0.00 C ATOM 1161 C TYR A 74 7.925 5.214 -13.419 1.00 0.00 C ATOM 1162 O TYR A 74 7.100 5.242 -14.332 1.00 0.00 O ATOM 1163 CB TYR A 74 10.019 5.582 -14.737 1.00 0.00 C ATOM 1164 CG TYR A 74 11.528 5.602 -14.642 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.181 6.529 -13.840 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.300 4.692 -15.354 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.559 6.551 -13.751 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.679 4.706 -15.270 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.304 5.638 -14.468 1.00 0.00 C ATOM 1170 OH TYR A 74 15.677 5.655 -14.381 1.00 0.00 O ATOM 0 H TYR A 74 8.726 3.098 -14.833 1.00 0.00 H new ATOM 0 HA TYR A 74 9.911 4.813 -12.734 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.730 5.211 -15.720 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.645 6.603 -14.659 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.601 7.245 -13.276 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.814 3.962 -15.984 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.051 7.279 -13.123 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.264 3.991 -15.829 1.00 0.00 H new ATOM 0 HH TYR A 74 16.063 5.503 -15.269 1.00 0.00 H new ATOM 1180 N SER A 75 7.645 5.601 -12.178 1.00 0.00 N ATOM 1181 CA SER A 75 6.320 6.088 -11.811 1.00 0.00 C ATOM 1182 C SER A 75 5.864 7.190 -12.762 1.00 0.00 C ATOM 1183 O SER A 75 4.774 7.122 -13.331 1.00 0.00 O ATOM 1184 CB SER A 75 6.327 6.611 -10.373 1.00 0.00 C ATOM 1185 OG SER A 75 7.199 7.720 -10.237 1.00 0.00 O ATOM 0 H SER A 75 8.317 5.587 -11.411 1.00 0.00 H new ATOM 0 HA SER A 75 5.620 5.256 -11.885 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.317 6.901 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.637 5.816 -9.695 1.00 0.00 H new ATOM 0 HG SER A 75 7.184 8.036 -9.310 1.00 0.00 H new ATOM 1191 N ASP A 76 6.705 8.204 -12.930 1.00 0.00 N ATOM 1192 CA ASP A 76 6.389 9.321 -13.813 1.00 0.00 C ATOM 1193 C ASP A 76 7.134 9.194 -15.138 1.00 0.00 C ATOM 1194 O ASP A 76 8.323 8.875 -15.165 1.00 0.00 O ATOM 1195 CB ASP A 76 6.745 10.648 -13.139 1.00 0.00 C ATOM 1196 CG ASP A 76 6.228 10.731 -11.716 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.067 10.334 -11.482 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.984 11.194 -10.837 1.00 0.00 O ATOM 0 H ASP A 76 7.611 8.276 -12.467 1.00 0.00 H new ATOM 0 HA ASP A 76 5.318 9.300 -14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.828 10.772 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.331 11.471 -13.722 1.00 0.00 H new ATOM 1203 N VAL A 77 6.427 9.444 -16.235 1.00 0.00 N ATOM 1204 CA VAL A 77 7.020 9.357 -17.564 1.00 0.00 C ATOM 1205 C VAL A 77 8.083 10.432 -17.762 1.00 0.00 C ATOM 1206 O VAL A 77 9.138 10.178 -18.344 1.00 0.00 O ATOM 1207 CB VAL A 77 5.953 9.496 -18.666 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.305 10.871 -18.611 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.565 9.240 -20.035 1.00 0.00 C ATOM 0 H VAL A 77 5.442 9.709 -16.230 1.00 0.00 H new ATOM 0 HA VAL A 77 7.483 8.373 -17.640 1.00 0.00 H new ATOM 0 HB VAL A 77 5.178 8.749 -18.494 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.554 10.951 -19.397 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.830 11.011 -17.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.066 11.638 -18.757 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.797 9.342 -20.802 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.360 9.963 -20.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.977 8.231 -20.067 1.00 0.00 H new ATOM 1219 N LYS A 78 7.799 11.634 -17.274 1.00 0.00 N ATOM 1220 CA LYS A 78 8.730 12.749 -17.395 1.00 0.00 C ATOM 1221 C LYS A 78 10.158 12.300 -17.100 1.00 0.00 C ATOM 1222 O LYS A 78 11.085 12.624 -17.841 1.00 0.00 O ATOM 1223 CB LYS A 78 8.332 13.879 -16.441 1.00 0.00 C ATOM 1224 CG LYS A 78 7.038 14.574 -16.828 1.00 0.00 C ATOM 1225 CD LYS A 78 5.869 14.078 -15.995 1.00 0.00 C ATOM 1226 CE LYS A 78 5.967 14.558 -14.555 1.00 0.00 C ATOM 1227 NZ LYS A 78 4.762 14.187 -13.763 1.00 0.00 N ATOM 0 H LYS A 78 6.930 11.861 -16.790 1.00 0.00 H new ATOM 0 HA LYS A 78 8.687 13.116 -18.421 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.230 13.474 -15.434 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.135 14.616 -16.409 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.149 15.650 -16.697 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.833 14.401 -17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.934 14.428 -16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.843 12.989 -16.015 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.854 14.129 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.092 15.641 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.868 14.532 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.918 14.617 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.657 13.152 -13.755 1.00 0.00 H new ATOM 1241 N ASN A 79 10.326 11.553 -16.014 1.00 0.00 N ATOM 1242 CA ASN A 79 11.641 11.058 -15.623 1.00 0.00 C ATOM 1243 C ASN A 79 12.170 10.054 -16.642 1.00 0.00 C ATOM 1244 O ASN A 79 13.289 10.189 -17.140 1.00 0.00 O ATOM 1245 CB ASN A 79 11.574 10.410 -14.239 1.00 0.00 C ATOM 1246 CG ASN A 79 10.779 11.240 -13.250 1.00 0.00 C ATOM 1247 OD1 ASN A 79 10.810 12.470 -13.287 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.060 10.568 -12.357 1.00 0.00 N ATOM 0 H ASN A 79 9.568 11.277 -15.389 1.00 0.00 H new ATOM 0 HA ASN A 79 12.325 11.906 -15.587 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.123 9.422 -14.325 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.585 10.267 -13.859 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.505 11.072 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.064 9.548 -12.363 1.00 0.00 H new ATOM 1255 N LEU A 80 11.359 9.048 -16.949 1.00 0.00 N ATOM 1256 CA LEU A 80 11.745 8.020 -17.910 1.00 0.00 C ATOM 1257 C LEU A 80 12.394 8.643 -19.142 1.00 0.00 C ATOM 1258 O LEU A 80 13.415 8.157 -19.630 1.00 0.00 O ATOM 1259 CB LEU A 80 10.523 7.197 -18.324 1.00 0.00 C ATOM 1260 CG LEU A 80 10.756 6.154 -19.418 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.562 4.984 -18.876 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.429 5.673 -19.986 1.00 0.00 C ATOM 0 H LEU A 80 10.430 8.922 -16.547 1.00 0.00 H new ATOM 0 HA LEU A 80 12.472 7.364 -17.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.136 6.688 -17.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.746 7.882 -18.663 1.00 0.00 H new ATOM 0 HG LEU A 80 11.326 6.619 -20.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.718 4.252 -19.668 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.527 5.342 -18.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.019 4.518 -18.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.613 4.931 -20.763 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.834 5.225 -19.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.888 6.518 -20.412 1.00 0.00 H new ATOM 1274 N ILE A 81 11.796 9.720 -19.639 1.00 0.00 N ATOM 1275 CA ILE A 81 12.318 10.410 -20.812 1.00 0.00 C ATOM 1276 C ILE A 81 13.784 10.785 -20.622 1.00 0.00 C ATOM 1277 O ILE A 81 14.632 10.459 -21.452 1.00 0.00 O ATOM 1278 CB ILE A 81 11.510 11.685 -21.121 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.023 11.352 -21.256 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.028 12.345 -22.390 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.726 10.340 -22.340 1.00 0.00 C ATOM 0 H ILE A 81 10.950 10.134 -19.248 1.00 0.00 H new ATOM 0 HA ILE A 81 12.227 9.720 -21.651 1.00 0.00 H new ATOM 0 HB ILE A 81 11.633 12.385 -20.294 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.657 10.970 -20.303 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.471 12.269 -21.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.447 13.244 -22.595 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.077 12.612 -22.259 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.932 11.652 -23.226 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.653 10.152 -22.378 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.061 10.728 -23.302 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.249 9.409 -22.122 1.00 0.00 H new ATOM 1293 N LYS A 82 14.076 11.471 -19.522 1.00 0.00 N ATOM 1294 CA LYS A 82 15.440 11.888 -19.219 1.00 0.00 C ATOM 1295 C LYS A 82 16.347 10.678 -19.018 1.00 0.00 C ATOM 1296 O LYS A 82 17.548 10.739 -19.284 1.00 0.00 O ATOM 1297 CB LYS A 82 15.460 12.768 -17.968 1.00 0.00 C ATOM 1298 CG LYS A 82 16.848 12.959 -17.381 1.00 0.00 C ATOM 1299 CD LYS A 82 16.789 13.228 -15.886 1.00 0.00 C ATOM 1300 CE LYS A 82 17.956 12.580 -15.157 1.00 0.00 C ATOM 1301 NZ LYS A 82 18.246 13.258 -13.863 1.00 0.00 N ATOM 0 H LYS A 82 13.386 11.750 -18.825 1.00 0.00 H new ATOM 0 HA LYS A 82 15.814 12.463 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.041 13.744 -18.214 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.813 12.324 -17.212 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.449 12.069 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.345 13.790 -17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.799 14.303 -15.708 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.850 12.847 -15.483 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.732 11.529 -14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.843 12.611 -15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.047 12.787 -13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.485 14.255 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.409 13.206 -13.249 1.00 0.00 H new ATOM 1315 N HIS A 83 15.764 9.579 -18.548 1.00 0.00 N ATOM 1316 CA HIS A 83 16.520 8.354 -18.313 1.00 0.00 C ATOM 1317 C HIS A 83 17.063 7.791 -19.623 1.00 0.00 C ATOM 1318 O HIS A 83 18.221 7.379 -19.699 1.00 0.00 O ATOM 1319 CB HIS A 83 15.641 7.312 -17.622 1.00 0.00 C ATOM 1320 CG HIS A 83 15.976 5.901 -17.998 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.010 5.194 -17.420 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.407 5.066 -18.898 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.063 3.985 -17.950 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.101 3.881 -18.849 1.00 0.00 N ATOM 0 H HIS A 83 14.771 9.512 -18.323 1.00 0.00 H new ATOM 0 HA HIS A 83 17.362 8.595 -17.665 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.739 7.425 -16.542 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.598 7.507 -17.869 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.636 5.549 -16.697 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.565 5.289 -19.536 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.773 3.213 -17.692 1.00 0.00 H new ATOM 1332 N ILE A 84 16.221 7.777 -20.650 1.00 0.00 N ATOM 1333 CA ILE A 84 16.617 7.266 -21.956 1.00 0.00 C ATOM 1334 C ILE A 84 17.660 8.168 -22.607 1.00 0.00 C ATOM 1335 O ILE A 84 18.660 7.691 -23.143 1.00 0.00 O ATOM 1336 CB ILE A 84 15.407 7.134 -22.900 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.479 6.015 -22.422 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.873 6.871 -24.324 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.102 6.065 -23.046 1.00 0.00 C ATOM 0 H ILE A 84 15.259 8.114 -20.603 1.00 0.00 H new ATOM 0 HA ILE A 84 17.047 6.278 -21.790 1.00 0.00 H new ATOM 0 HB ILE A 84 14.851 8.071 -22.888 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.937 5.052 -22.649 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.380 6.074 -21.338 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.007 6.780 -24.979 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.498 7.698 -24.661 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.449 5.946 -24.353 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.498 5.243 -22.662 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.624 7.013 -22.798 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.190 5.975 -24.129 1.00 0.00 H new ATOM 1351 N ARG A 85 17.420 9.474 -22.553 1.00 0.00 N ATOM 1352 CA ARG A 85 18.338 10.444 -23.137 1.00 0.00 C ATOM 1353 C ARG A 85 19.674 10.440 -22.400 1.00 0.00 C ATOM 1354 O ARG A 85 20.690 10.885 -22.934 1.00 0.00 O ATOM 1355 CB ARG A 85 17.726 11.846 -23.099 1.00 0.00 C ATOM 1356 CG ARG A 85 16.373 11.938 -23.784 1.00 0.00 C ATOM 1357 CD ARG A 85 16.145 13.317 -24.384 1.00 0.00 C ATOM 1358 NE ARG A 85 14.730 13.676 -24.409 1.00 0.00 N ATOM 1359 CZ ARG A 85 14.225 14.621 -25.195 1.00 0.00 C ATOM 1360 NH1 ARG A 85 15.017 15.297 -26.016 1.00 0.00 N ATOM 1361 NH2 ARG A 85 12.926 14.890 -25.160 1.00 0.00 N ATOM 0 H ARG A 85 16.598 9.885 -22.111 1.00 0.00 H new ATOM 0 HA ARG A 85 18.514 10.161 -24.175 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.620 12.159 -22.060 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.413 12.546 -23.574 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.309 11.184 -24.568 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.584 11.718 -23.065 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.697 14.059 -23.807 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.543 13.341 -25.398 1.00 0.00 H new ATOM 0 HE ARG A 85 14.094 13.174 -23.789 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.016 15.092 -26.045 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.627 16.022 -26.619 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.315 14.371 -24.530 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.539 15.615 -25.764 1.00 0.00 H new ATOM 1375 N ASP A 86 19.664 9.936 -21.171 1.00 0.00 N ATOM 1376 CA ASP A 86 20.874 9.874 -20.360 1.00 0.00 C ATOM 1377 C ASP A 86 21.519 8.495 -20.452 1.00 0.00 C ATOM 1378 O ASP A 86 22.617 8.347 -20.988 1.00 0.00 O ATOM 1379 CB ASP A 86 20.554 10.205 -18.901 1.00 0.00 C ATOM 1380 CG ASP A 86 20.488 11.698 -18.647 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.269 12.442 -19.276 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.655 12.122 -17.820 1.00 0.00 O ATOM 0 H ASP A 86 18.831 9.564 -20.714 1.00 0.00 H new ATOM 0 HA ASP A 86 21.578 10.611 -20.745 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.601 9.751 -18.629 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.314 9.763 -18.256 1.00 0.00 H new ATOM 1387 N ALA A 87 20.830 7.488 -19.924 1.00 0.00 N ATOM 1388 CA ALA A 87 21.336 6.121 -19.947 1.00 0.00 C ATOM 1389 C ALA A 87 21.471 5.610 -21.377 1.00 0.00 C ATOM 1390 O ALA A 87 22.529 5.124 -21.776 1.00 0.00 O ATOM 1391 CB ALA A 87 20.423 5.208 -19.142 1.00 0.00 C ATOM 0 H ALA A 87 19.920 7.593 -19.475 1.00 0.00 H new ATOM 0 HA ALA A 87 22.327 6.118 -19.493 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.812 4.190 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.380 5.555 -18.109 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.421 5.224 -19.572 1.00 0.00 H new ATOM 1397 N HIS A 88 20.391 5.723 -22.145 1.00 0.00 N ATOM 1398 CA HIS A 88 20.390 5.271 -23.532 1.00 0.00 C ATOM 1399 C HIS A 88 20.421 6.459 -24.490 1.00 0.00 C ATOM 1400 O HIS A 88 19.759 6.449 -25.528 1.00 0.00 O ATOM 1401 CB HIS A 88 19.157 4.410 -23.809 1.00 0.00 C ATOM 1402 CG HIS A 88 18.862 3.421 -22.724 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.617 2.287 -22.514 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.887 3.402 -21.785 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.119 1.612 -21.493 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.069 2.267 -21.033 1.00 0.00 N ATOM 0 H HIS A 88 19.507 6.123 -21.831 1.00 0.00 H new ATOM 0 HA HIS A 88 21.286 4.672 -23.694 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.292 5.060 -23.942 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.301 3.875 -24.748 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.433 2.012 -23.061 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.111 4.141 -21.652 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.505 0.683 -21.101 1.00 0.00 H new ATOM 1414 N ASP A 89 21.193 7.480 -24.134 1.00 0.00 N ATOM 1415 CA ASP A 89 21.310 8.674 -24.961 1.00 0.00 C ATOM 1416 C ASP A 89 21.511 8.302 -26.427 1.00 0.00 C ATOM 1417 O ASP A 89 22.410 7.540 -26.782 1.00 0.00 O ATOM 1418 CB ASP A 89 22.473 9.543 -24.479 1.00 0.00 C ATOM 1419 CG ASP A 89 23.821 8.989 -24.897 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.208 9.191 -26.067 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.489 8.354 -24.054 1.00 0.00 O ATOM 0 H ASP A 89 21.747 7.504 -23.278 1.00 0.00 H new ATOM 0 HA ASP A 89 20.383 9.240 -24.872 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.359 10.551 -24.877 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.437 9.623 -23.393 1.00 0.00 H new ATOM 1426 N PRO A 90 20.654 8.852 -27.300 1.00 0.00 N ATOM 1427 CA PRO A 90 20.716 8.592 -28.742 1.00 0.00 C ATOM 1428 C PRO A 90 21.940 9.228 -29.393 1.00 0.00 C ATOM 1429 O PRO A 90 22.023 9.322 -30.617 1.00 0.00 O ATOM 1430 CB PRO A 90 19.433 9.234 -29.274 1.00 0.00 C ATOM 1431 CG PRO A 90 19.099 10.292 -28.281 1.00 0.00 C ATOM 1432 CD PRO A 90 19.557 9.770 -26.948 1.00 0.00 C ATOM 0 HA PRO A 90 20.798 7.527 -28.961 1.00 0.00 H new ATOM 0 HB2 PRO A 90 19.584 9.657 -30.267 1.00 0.00 H new ATOM 0 HB3 PRO A 90 18.630 8.502 -29.358 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.600 11.229 -28.526 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.028 10.495 -28.273 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.899 10.575 -26.297 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.754 9.254 -26.421 1.00 0.00 H new ATOM 1440 N GLN A 91 22.886 9.662 -28.567 1.00 0.00 N ATOM 1441 CA GLN A 91 24.105 10.289 -29.064 1.00 0.00 C ATOM 1442 C GLN A 91 23.791 11.606 -29.766 1.00 0.00 C ATOM 1443 O GLN A 91 24.394 11.935 -30.788 1.00 0.00 O ATOM 1444 CB GLN A 91 24.834 9.347 -30.023 1.00 0.00 C ATOM 1445 CG GLN A 91 25.862 8.460 -29.340 1.00 0.00 C ATOM 1446 CD GLN A 91 26.780 7.764 -30.327 1.00 0.00 C ATOM 1447 OE1 GLN A 91 27.964 8.088 -30.425 1.00 0.00 O ATOM 1448 NE2 GLN A 91 26.237 6.803 -31.064 1.00 0.00 N ATOM 0 H GLN A 91 22.832 9.591 -27.551 1.00 0.00 H new ATOM 0 HA GLN A 91 24.751 10.497 -28.211 1.00 0.00 H new ATOM 0 HB2 GLN A 91 24.101 8.717 -30.528 1.00 0.00 H new ATOM 0 HB3 GLN A 91 25.330 9.938 -30.793 1.00 0.00 H new ATOM 0 HG2 GLN A 91 26.460 9.063 -28.656 1.00 0.00 H new ATOM 0 HG3 GLN A 91 25.347 7.711 -28.738 1.00 0.00 H new ATOM 0 HE21 GLN A 91 25.251 6.568 -30.949 1.00 0.00 H new ATOM 0 HE22 GLN A 91 26.806 6.300 -31.745 1.00 0.00 H new ATOM 1457 N ASP A 92 22.846 12.356 -29.211 1.00 0.00 N ATOM 1458 CA ASP A 92 22.453 13.639 -29.784 1.00 0.00 C ATOM 1459 C ASP A 92 23.477 14.719 -29.450 1.00 0.00 C ATOM 1460 O ASP A 92 24.153 15.207 -30.354 1.00 0.00 O ATOM 1461 CB ASP A 92 21.072 14.050 -29.269 1.00 0.00 C ATOM 1462 CG ASP A 92 20.744 15.496 -29.585 1.00 0.00 C ATOM 1463 OD1 ASP A 92 20.401 15.785 -30.750 1.00 0.00 O ATOM 1464 OD2 ASP A 92 20.829 16.337 -28.666 1.00 0.00 O ATOM 0 H ASP A 92 22.338 12.098 -28.365 1.00 0.00 H new ATOM 0 HA ASP A 92 22.409 13.528 -30.867 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.315 13.403 -29.712 1.00 0.00 H new ATOM 0 HB3 ASP A 92 21.029 13.898 -28.190 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -29.883 18.332 -22.621 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -9.652 2.096 -18.281 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.552 2.047 -19.805 1.00 0.00 ZN