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 64 LYS NZ :NH3+ -142:sc= -0.0968 (180deg=-0.0024) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 163:sc= -0.11 (180deg=-0.733) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 TYR OH : rot 150:sc= 0.0773 USER MOD Set 3.2: A 19 SER OG : rot 108:sc= -0.498 USER MOD Set 3.3: A 24 ASN : amide:sc= -0.617 K(o=-1,f=-3.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.404 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= -0.351 (180deg=-1.65!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.518 (180deg=0.447) USER MOD Single : A 14 GLN : amide:sc= -1.5 K(o=-1.5,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 26 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.47) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -3.21! (180deg=-7.15!) USER MOD Single : A 33 THR OG1 : rot -87:sc= 1.33 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 150:sc= 0.038 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.017) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 65 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.8!) USER MOD Single : A 66 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0894) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 3:sc= -0.371 USER MOD Single : A 75 SER OG : rot -85:sc= 0.207 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.65! C(o=-3.7!,f=-4.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.938 -13.921 -33.176 1.00 0.00 N ATOM 2 CA GLY A 1 -15.845 -15.122 -33.985 1.00 0.00 C ATOM 3 C GLY A 1 -14.658 -15.095 -34.929 1.00 0.00 C ATOM 4 O GLY A 1 -14.360 -14.065 -35.532 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.765 -13.988 -32.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.076 -13.821 -32.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.041 -13.092 -33.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.766 -15.991 -33.332 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.762 -15.239 -34.562 1.00 0.00 H new ATOM 8 N SER A 2 -13.979 -16.230 -35.055 1.00 0.00 N ATOM 9 CA SER A 2 -12.814 -16.331 -35.927 1.00 0.00 C ATOM 10 C SER A 2 -13.238 -16.582 -37.371 1.00 0.00 C ATOM 11 O SER A 2 -13.869 -17.594 -37.677 1.00 0.00 O ATOM 12 CB SER A 2 -11.891 -17.454 -35.452 1.00 0.00 C ATOM 13 OG SER A 2 -10.593 -17.316 -36.005 1.00 0.00 O ATOM 0 H SER A 2 -14.215 -17.093 -34.565 1.00 0.00 H new ATOM 0 HA SER A 2 -12.275 -15.385 -35.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.829 -17.442 -34.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.310 -18.419 -35.737 1.00 0.00 H new ATOM 0 HG SER A 2 -10.022 -18.045 -35.685 1.00 0.00 H new ATOM 19 N SER A 3 -12.886 -15.654 -38.254 1.00 0.00 N ATOM 20 CA SER A 3 -13.232 -15.771 -39.666 1.00 0.00 C ATOM 21 C SER A 3 -12.018 -15.493 -40.548 1.00 0.00 C ATOM 22 O SER A 3 -11.303 -14.512 -40.348 1.00 0.00 O ATOM 23 CB SER A 3 -14.364 -14.804 -40.017 1.00 0.00 C ATOM 24 OG SER A 3 -15.629 -15.374 -39.733 1.00 0.00 O ATOM 0 H SER A 3 -12.361 -14.812 -38.017 1.00 0.00 H new ATOM 0 HA SER A 3 -13.566 -16.792 -39.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.244 -13.879 -39.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.309 -14.543 -41.074 1.00 0.00 H new ATOM 0 HG SER A 3 -16.335 -14.735 -39.965 1.00 0.00 H new ATOM 30 N GLY A 4 -11.792 -16.366 -41.525 1.00 0.00 N ATOM 31 CA GLY A 4 -10.665 -16.199 -42.423 1.00 0.00 C ATOM 32 C GLY A 4 -10.436 -14.749 -42.803 1.00 0.00 C ATOM 33 O GLY A 4 -11.356 -14.067 -43.256 1.00 0.00 O ATOM 0 H GLY A 4 -12.370 -17.186 -41.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.766 -16.594 -41.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.834 -16.786 -43.326 1.00 0.00 H new ATOM 37 N SER A 5 -9.208 -14.277 -42.617 1.00 0.00 N ATOM 38 CA SER A 5 -8.863 -12.897 -42.939 1.00 0.00 C ATOM 39 C SER A 5 -7.620 -12.839 -43.821 1.00 0.00 C ATOM 40 O SER A 5 -6.544 -13.290 -43.427 1.00 0.00 O ATOM 41 CB SER A 5 -8.630 -12.096 -41.656 1.00 0.00 C ATOM 42 OG SER A 5 -7.544 -12.624 -40.915 1.00 0.00 O ATOM 0 H SER A 5 -8.435 -14.829 -42.245 1.00 0.00 H new ATOM 0 HA SER A 5 -9.696 -12.458 -43.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.431 -11.054 -41.905 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.533 -12.111 -41.045 1.00 0.00 H new ATOM 0 HG SER A 5 -6.915 -13.063 -41.525 1.00 0.00 H new ATOM 48 N SER A 6 -7.776 -12.281 -45.017 1.00 0.00 N ATOM 49 CA SER A 6 -6.668 -12.167 -45.958 1.00 0.00 C ATOM 50 C SER A 6 -6.835 -10.939 -46.847 1.00 0.00 C ATOM 51 O SER A 6 -7.804 -10.828 -47.597 1.00 0.00 O ATOM 52 CB SER A 6 -6.573 -13.427 -46.822 1.00 0.00 C ATOM 53 OG SER A 6 -5.289 -13.547 -47.408 1.00 0.00 O ATOM 0 H SER A 6 -8.659 -11.901 -45.357 1.00 0.00 H new ATOM 0 HA SER A 6 -5.747 -12.057 -45.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.782 -14.306 -46.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.332 -13.394 -47.604 1.00 0.00 H new ATOM 0 HG SER A 6 -5.253 -14.360 -47.953 1.00 0.00 H new ATOM 59 N GLY A 7 -5.881 -10.016 -46.757 1.00 0.00 N ATOM 60 CA GLY A 7 -5.939 -8.807 -47.557 1.00 0.00 C ATOM 61 C GLY A 7 -5.600 -7.566 -46.757 1.00 0.00 C ATOM 62 O GLY A 7 -4.718 -7.593 -45.898 1.00 0.00 O ATOM 0 H GLY A 7 -5.069 -10.085 -46.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.247 -8.896 -48.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.939 -8.702 -47.979 1.00 0.00 H new ATOM 66 N LYS A 8 -6.299 -6.472 -47.040 1.00 0.00 N ATOM 67 CA LYS A 8 -6.068 -5.213 -46.341 1.00 0.00 C ATOM 68 C LYS A 8 -4.637 -4.728 -46.553 1.00 0.00 C ATOM 69 O LYS A 8 -3.899 -4.465 -45.604 1.00 0.00 O ATOM 70 CB LYS A 8 -6.346 -5.378 -44.846 1.00 0.00 C ATOM 71 CG LYS A 8 -7.822 -5.325 -44.492 1.00 0.00 C ATOM 72 CD LYS A 8 -8.042 -5.465 -42.995 1.00 0.00 C ATOM 73 CE LYS A 8 -8.190 -6.923 -42.587 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.879 -7.628 -42.564 1.00 0.00 N ATOM 0 H LYS A 8 -7.031 -6.432 -47.749 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.750 -4.468 -46.751 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.935 -6.330 -44.512 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.821 -4.595 -44.299 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.246 -4.382 -44.836 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.351 -6.122 -45.015 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.203 -5.020 -42.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.935 -4.912 -42.704 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.650 -6.979 -41.600 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.862 -7.428 -43.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.897 -8.371 -41.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.700 -8.058 -43.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.123 -6.948 -42.345 1.00 0.00 H new ATOM 88 N PRO A 9 -4.236 -4.605 -47.827 1.00 0.00 N ATOM 89 CA PRO A 9 -2.892 -4.149 -48.193 1.00 0.00 C ATOM 90 C PRO A 9 -2.675 -2.672 -47.879 1.00 0.00 C ATOM 91 O PRO A 9 -1.597 -2.273 -47.438 1.00 0.00 O ATOM 92 CB PRO A 9 -2.835 -4.388 -49.704 1.00 0.00 C ATOM 93 CG PRO A 9 -4.256 -4.343 -50.148 1.00 0.00 C ATOM 94 CD PRO A 9 -5.064 -4.900 -49.009 1.00 0.00 C ATOM 0 HA PRO A 9 -2.118 -4.675 -47.635 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.240 -3.624 -50.204 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.378 -5.350 -49.936 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.560 -3.322 -50.380 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.401 -4.932 -51.054 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.043 -4.426 -48.942 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.235 -5.970 -49.123 1.00 0.00 H new ATOM 102 N TYR A 10 -3.706 -1.866 -48.107 1.00 0.00 N ATOM 103 CA TYR A 10 -3.627 -0.433 -47.850 1.00 0.00 C ATOM 104 C TYR A 10 -3.588 -0.150 -46.352 1.00 0.00 C ATOM 105 O TYR A 10 -4.378 -0.699 -45.583 1.00 0.00 O ATOM 106 CB TYR A 10 -4.818 0.286 -48.486 1.00 0.00 C ATOM 107 CG TYR A 10 -4.925 0.077 -49.979 1.00 0.00 C ATOM 108 CD1 TYR A 10 -5.487 -1.082 -50.499 1.00 0.00 C ATOM 109 CD2 TYR A 10 -4.463 1.038 -50.870 1.00 0.00 C ATOM 110 CE1 TYR A 10 -5.586 -1.278 -51.863 1.00 0.00 C ATOM 111 CE2 TYR A 10 -4.560 0.851 -52.236 1.00 0.00 C ATOM 112 CZ TYR A 10 -5.122 -0.309 -52.727 1.00 0.00 C ATOM 113 OH TYR A 10 -5.219 -0.499 -54.087 1.00 0.00 O ATOM 0 H TYR A 10 -4.606 -2.181 -48.469 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.705 -0.059 -48.296 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.736 -0.061 -48.012 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.738 1.354 -48.282 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.853 -1.843 -49.826 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.021 1.946 -50.489 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.025 -2.186 -52.250 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.198 1.609 -52.915 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.847 0.279 -54.553 1.00 0.00 H new ATOM 123 N LYS A 11 -2.663 0.712 -45.943 1.00 0.00 N ATOM 124 CA LYS A 11 -2.520 1.072 -44.537 1.00 0.00 C ATOM 125 C LYS A 11 -2.575 2.586 -44.355 1.00 0.00 C ATOM 126 O LYS A 11 -2.176 3.343 -45.240 1.00 0.00 O ATOM 127 CB LYS A 11 -1.201 0.529 -43.983 1.00 0.00 C ATOM 128 CG LYS A 11 -1.317 -0.865 -43.392 1.00 0.00 C ATOM 129 CD LYS A 11 -1.114 -1.937 -44.450 1.00 0.00 C ATOM 130 CE LYS A 11 -0.644 -3.246 -43.834 1.00 0.00 C ATOM 131 NZ LYS A 11 -1.787 -4.119 -43.448 1.00 0.00 N ATOM 0 H LYS A 11 -2.001 1.175 -46.566 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.349 0.627 -43.987 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.460 0.515 -44.782 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.831 1.210 -43.216 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.578 -0.989 -42.601 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.298 -0.986 -42.933 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.048 -2.101 -44.987 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.382 -1.594 -45.181 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.008 -3.774 -44.544 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.035 -3.036 -42.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.436 -5.072 -43.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.262 -3.720 -42.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.463 -4.175 -44.237 1.00 0.00 H new ATOM 145 N CYS A 12 -3.072 3.020 -43.201 1.00 0.00 N ATOM 146 CA CYS A 12 -3.179 4.443 -42.902 1.00 0.00 C ATOM 147 C CYS A 12 -1.859 4.986 -42.363 1.00 0.00 C ATOM 148 O CYS A 12 -1.349 4.540 -41.334 1.00 0.00 O ATOM 149 CB CYS A 12 -4.297 4.689 -41.887 1.00 0.00 C ATOM 150 SG CYS A 12 -4.596 6.449 -41.522 1.00 0.00 S ATOM 0 H CYS A 12 -3.407 2.407 -42.458 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.416 4.967 -43.828 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.219 4.245 -42.263 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.051 4.173 -40.959 1.00 0.00 H new ATOM 155 N PRO A 13 -1.291 5.973 -43.072 1.00 0.00 N ATOM 156 CA PRO A 13 -0.024 6.599 -42.683 1.00 0.00 C ATOM 157 C PRO A 13 -0.159 7.449 -41.425 1.00 0.00 C ATOM 158 O PRO A 13 0.822 8.008 -40.935 1.00 0.00 O ATOM 159 CB PRO A 13 0.321 7.478 -43.888 1.00 0.00 C ATOM 160 CG PRO A 13 -0.990 7.772 -44.531 1.00 0.00 C ATOM 161 CD PRO A 13 -1.843 6.553 -44.308 1.00 0.00 C ATOM 0 HA PRO A 13 0.740 5.859 -42.444 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.824 8.394 -43.579 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.992 6.962 -44.575 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.451 8.657 -44.091 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.867 7.973 -45.595 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.895 6.814 -44.195 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.776 5.857 -45.144 1.00 0.00 H new ATOM 169 N GLN A 14 -1.380 7.542 -40.907 1.00 0.00 N ATOM 170 CA GLN A 14 -1.642 8.324 -39.705 1.00 0.00 C ATOM 171 C GLN A 14 -1.954 7.415 -38.521 1.00 0.00 C ATOM 172 O GLN A 14 -1.582 7.710 -37.384 1.00 0.00 O ATOM 173 CB GLN A 14 -2.805 9.289 -39.943 1.00 0.00 C ATOM 174 CG GLN A 14 -2.611 10.190 -41.152 1.00 0.00 C ATOM 175 CD GLN A 14 -3.468 11.439 -41.093 1.00 0.00 C ATOM 176 OE1 GLN A 14 -4.367 11.629 -41.913 1.00 0.00 O ATOM 177 NE2 GLN A 14 -3.194 12.299 -40.119 1.00 0.00 N ATOM 0 H GLN A 14 -2.203 7.086 -41.301 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.745 8.897 -39.472 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.722 8.714 -40.072 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.939 9.909 -39.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.562 10.477 -41.222 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.850 9.633 -42.058 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.440 12.101 -39.461 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.738 13.157 -40.029 1.00 0.00 H new ATOM 186 N CYS A 15 -2.638 6.310 -38.794 1.00 0.00 N ATOM 187 CA CYS A 15 -3.001 5.357 -37.752 1.00 0.00 C ATOM 188 C CYS A 15 -2.764 3.924 -38.218 1.00 0.00 C ATOM 189 O CYS A 15 -2.244 3.693 -39.310 1.00 0.00 O ATOM 190 CB CYS A 15 -4.467 5.539 -37.353 1.00 0.00 C ATOM 191 SG CYS A 15 -5.642 4.628 -38.405 1.00 0.00 S ATOM 0 H CYS A 15 -2.953 6.052 -39.729 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.369 5.548 -36.885 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.594 5.215 -36.320 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.713 6.600 -37.387 1.00 0.00 H new ATOM 196 N SER A 16 -3.149 2.964 -37.383 1.00 0.00 N ATOM 197 CA SER A 16 -2.975 1.553 -37.707 1.00 0.00 C ATOM 198 C SER A 16 -4.195 1.012 -38.446 1.00 0.00 C ATOM 199 O SER A 16 -4.606 -0.130 -38.236 1.00 0.00 O ATOM 200 CB SER A 16 -2.735 0.741 -36.433 1.00 0.00 C ATOM 201 OG SER A 16 -1.461 1.025 -35.881 1.00 0.00 O ATOM 0 H SER A 16 -3.584 3.138 -36.477 1.00 0.00 H new ATOM 0 HA SER A 16 -2.106 1.459 -38.358 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.511 0.968 -35.702 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.809 -0.323 -36.657 1.00 0.00 H new ATOM 0 HG SER A 16 -1.332 0.495 -35.067 1.00 0.00 H new ATOM 207 N TYR A 17 -4.770 1.839 -39.312 1.00 0.00 N ATOM 208 CA TYR A 17 -5.945 1.445 -40.081 1.00 0.00 C ATOM 209 C TYR A 17 -5.539 0.763 -41.384 1.00 0.00 C ATOM 210 O TYR A 17 -4.436 0.970 -41.889 1.00 0.00 O ATOM 211 CB TYR A 17 -6.816 2.666 -40.382 1.00 0.00 C ATOM 212 CG TYR A 17 -7.863 2.416 -41.443 1.00 0.00 C ATOM 213 CD1 TYR A 17 -9.096 1.865 -41.115 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.620 2.730 -42.775 1.00 0.00 C ATOM 215 CE1 TYR A 17 -10.055 1.634 -42.081 1.00 0.00 C ATOM 216 CE2 TYR A 17 -8.574 2.504 -43.748 1.00 0.00 C ATOM 217 CZ TYR A 17 -9.790 1.955 -43.396 1.00 0.00 C ATOM 218 OH TYR A 17 -10.742 1.727 -44.363 1.00 0.00 O ATOM 0 H TYR A 17 -4.442 2.786 -39.499 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.518 0.736 -39.484 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.310 2.985 -39.464 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.176 3.488 -40.702 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.308 1.613 -40.086 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.669 3.158 -43.054 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.008 1.204 -41.808 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.369 2.756 -44.778 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.644 2.388 -45.080 1.00 0.00 H new ATOM 228 N ALA A 18 -6.440 -0.052 -41.923 1.00 0.00 N ATOM 229 CA ALA A 18 -6.179 -0.763 -43.168 1.00 0.00 C ATOM 230 C ALA A 18 -7.469 -1.003 -43.944 1.00 0.00 C ATOM 231 O ALA A 18 -8.540 -1.157 -43.356 1.00 0.00 O ATOM 232 CB ALA A 18 -5.479 -2.084 -42.884 1.00 0.00 C ATOM 0 H ALA A 18 -7.357 -0.236 -41.517 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.526 -0.142 -43.782 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.290 -2.605 -43.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.533 -1.893 -42.378 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.112 -2.702 -42.247 1.00 0.00 H new ATOM 238 N SER A 19 -7.360 -1.032 -45.269 1.00 0.00 N ATOM 239 CA SER A 19 -8.520 -1.248 -46.126 1.00 0.00 C ATOM 240 C SER A 19 -8.134 -2.041 -47.372 1.00 0.00 C ATOM 241 O SER A 19 -6.960 -2.125 -47.728 1.00 0.00 O ATOM 242 CB SER A 19 -9.137 0.092 -46.532 1.00 0.00 C ATOM 243 OG SER A 19 -10.533 -0.033 -46.744 1.00 0.00 O ATOM 0 H SER A 19 -6.481 -0.909 -45.772 1.00 0.00 H new ATOM 0 HA SER A 19 -9.255 -1.823 -45.563 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.949 0.833 -45.755 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.659 0.455 -47.442 1.00 0.00 H new ATOM 0 HG SER A 19 -11.016 0.399 -46.008 1.00 0.00 H new ATOM 249 N ALA A 20 -9.133 -2.620 -48.029 1.00 0.00 N ATOM 250 CA ALA A 20 -8.901 -3.405 -49.235 1.00 0.00 C ATOM 251 C ALA A 20 -9.063 -2.549 -50.487 1.00 0.00 C ATOM 252 O ALA A 20 -8.448 -2.818 -51.519 1.00 0.00 O ATOM 253 CB ALA A 20 -9.847 -4.595 -49.281 1.00 0.00 C ATOM 0 H ALA A 20 -10.111 -2.560 -47.746 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.875 -3.772 -49.208 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.662 -5.172 -50.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.680 -5.226 -48.408 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.878 -4.241 -49.281 1.00 0.00 H new ATOM 259 N ILE A 21 -9.896 -1.518 -50.389 1.00 0.00 N ATOM 260 CA ILE A 21 -10.139 -0.623 -51.513 1.00 0.00 C ATOM 261 C ILE A 21 -9.308 0.650 -51.392 1.00 0.00 C ATOM 262 O ILE A 21 -9.099 1.167 -50.294 1.00 0.00 O ATOM 263 CB ILE A 21 -11.627 -0.243 -51.619 1.00 0.00 C ATOM 264 CG1 ILE A 21 -12.484 -1.496 -51.807 1.00 0.00 C ATOM 265 CG2 ILE A 21 -11.845 0.731 -52.768 1.00 0.00 C ATOM 266 CD1 ILE A 21 -13.964 -1.251 -51.616 1.00 0.00 C ATOM 0 H ILE A 21 -10.414 -1.282 -49.542 1.00 0.00 H new ATOM 0 HA ILE A 21 -9.845 -1.162 -52.414 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.928 0.245 -50.692 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.316 -1.894 -52.808 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.156 -2.259 -51.101 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.902 0.990 -52.830 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.260 1.634 -52.595 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.530 0.267 -53.703 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.509 -2.183 -51.765 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -14.144 -0.882 -50.606 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -14.307 -0.511 -52.339 1.00 0.00 H new ATOM 278 N LYS A 22 -8.836 1.153 -52.528 1.00 0.00 N ATOM 279 CA LYS A 22 -8.030 2.368 -52.552 1.00 0.00 C ATOM 280 C LYS A 22 -8.842 3.568 -52.075 1.00 0.00 C ATOM 281 O LYS A 22 -8.404 4.318 -51.203 1.00 0.00 O ATOM 282 CB LYS A 22 -7.500 2.625 -53.964 1.00 0.00 C ATOM 283 CG LYS A 22 -6.820 3.974 -54.121 1.00 0.00 C ATOM 284 CD LYS A 22 -5.406 3.954 -53.565 1.00 0.00 C ATOM 285 CE LYS A 22 -4.859 5.361 -53.380 1.00 0.00 C ATOM 286 NZ LYS A 22 -4.220 5.877 -54.622 1.00 0.00 N ATOM 0 H LYS A 22 -8.998 0.737 -53.445 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.187 2.229 -51.875 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.793 1.838 -54.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.327 2.560 -54.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.793 4.248 -55.176 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.403 4.738 -53.607 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.397 3.431 -52.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.757 3.396 -54.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.668 6.029 -53.084 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.131 5.363 -52.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.860 6.838 -54.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.432 5.254 -54.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.921 5.899 -55.390 1.00 0.00 H new ATOM 300 N ALA A 23 -10.026 3.742 -52.652 1.00 0.00 N ATOM 301 CA ALA A 23 -10.900 4.850 -52.283 1.00 0.00 C ATOM 302 C ALA A 23 -11.147 4.876 -50.778 1.00 0.00 C ATOM 303 O ALA A 23 -11.252 5.944 -50.176 1.00 0.00 O ATOM 304 CB ALA A 23 -12.219 4.754 -53.035 1.00 0.00 C ATOM 0 H ALA A 23 -10.403 3.131 -53.377 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.404 5.780 -52.559 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.862 5.587 -52.750 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.030 4.792 -54.108 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.712 3.814 -52.787 1.00 0.00 H new ATOM 310 N ASN A 24 -11.240 3.694 -50.177 1.00 0.00 N ATOM 311 CA ASN A 24 -11.476 3.582 -48.743 1.00 0.00 C ATOM 312 C ASN A 24 -10.419 4.351 -47.956 1.00 0.00 C ATOM 313 O ASN A 24 -10.735 5.285 -47.217 1.00 0.00 O ATOM 314 CB ASN A 24 -11.476 2.113 -48.318 1.00 0.00 C ATOM 315 CG ASN A 24 -12.779 1.413 -48.656 1.00 0.00 C ATOM 316 OD1 ASN A 24 -13.521 1.850 -49.536 1.00 0.00 O ATOM 317 ND2 ASN A 24 -13.062 0.321 -47.957 1.00 0.00 N ATOM 0 H ASN A 24 -11.155 2.800 -50.661 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.452 4.016 -48.526 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.651 1.596 -48.808 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.300 2.048 -47.244 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.924 -0.193 -48.140 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.417 -0.005 -47.237 1.00 0.00 H new ATOM 324 N LEU A 25 -9.162 3.952 -48.119 1.00 0.00 N ATOM 325 CA LEU A 25 -8.057 4.604 -47.425 1.00 0.00 C ATOM 326 C LEU A 25 -8.211 6.121 -47.458 1.00 0.00 C ATOM 327 O LEU A 25 -7.889 6.809 -46.490 1.00 0.00 O ATOM 328 CB LEU A 25 -6.724 4.201 -48.058 1.00 0.00 C ATOM 329 CG LEU A 25 -5.466 4.734 -47.369 1.00 0.00 C ATOM 330 CD1 LEU A 25 -5.427 4.293 -45.914 1.00 0.00 C ATOM 331 CD2 LEU A 25 -4.218 4.267 -48.104 1.00 0.00 C ATOM 0 H LEU A 25 -8.883 3.181 -48.725 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.072 4.279 -46.385 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.669 3.113 -48.079 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.719 4.541 -49.094 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.493 5.823 -47.396 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.525 4.681 -45.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.305 4.677 -45.394 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.423 3.204 -45.864 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.333 4.655 -47.601 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.185 3.178 -48.108 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.242 4.633 -49.130 1.00 0.00 H new ATOM 343 N ASN A 26 -8.708 6.636 -48.578 1.00 0.00 N ATOM 344 CA ASN A 26 -8.907 8.072 -48.737 1.00 0.00 C ATOM 345 C ASN A 26 -9.997 8.577 -47.796 1.00 0.00 C ATOM 346 O ASN A 26 -9.780 9.507 -47.019 1.00 0.00 O ATOM 347 CB ASN A 26 -9.275 8.400 -50.185 1.00 0.00 C ATOM 348 CG ASN A 26 -8.139 8.117 -51.149 1.00 0.00 C ATOM 349 OD1 ASN A 26 -7.431 9.029 -51.576 1.00 0.00 O ATOM 350 ND2 ASN A 26 -7.959 6.848 -51.495 1.00 0.00 N ATOM 0 H ASN A 26 -8.980 6.080 -49.389 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.973 8.573 -48.485 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.149 7.817 -50.476 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.555 9.451 -50.257 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.210 6.597 -52.140 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.570 6.125 -51.116 1.00 0.00 H new ATOM 357 N VAL A 27 -11.171 7.957 -47.872 1.00 0.00 N ATOM 358 CA VAL A 27 -12.295 8.343 -47.027 1.00 0.00 C ATOM 359 C VAL A 27 -11.947 8.197 -45.550 1.00 0.00 C ATOM 360 O VAL A 27 -12.412 8.971 -44.712 1.00 0.00 O ATOM 361 CB VAL A 27 -13.544 7.496 -47.334 1.00 0.00 C ATOM 362 CG1 VAL A 27 -13.611 6.288 -46.411 1.00 0.00 C ATOM 363 CG2 VAL A 27 -14.803 8.341 -47.213 1.00 0.00 C ATOM 0 H VAL A 27 -11.368 7.186 -48.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.511 9.389 -47.245 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.474 7.135 -48.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.500 5.702 -46.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.723 5.672 -46.553 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.658 6.624 -45.375 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.676 7.727 -47.433 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.882 8.733 -46.199 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.755 9.169 -47.920 1.00 0.00 H new ATOM 373 N HIS A 28 -11.124 7.201 -45.236 1.00 0.00 N ATOM 374 CA HIS A 28 -10.712 6.955 -43.859 1.00 0.00 C ATOM 375 C HIS A 28 -9.861 8.106 -43.332 1.00 0.00 C ATOM 376 O HIS A 28 -10.123 8.644 -42.256 1.00 0.00 O ATOM 377 CB HIS A 28 -9.931 5.644 -43.765 1.00 0.00 C ATOM 378 CG HIS A 28 -9.263 5.438 -42.441 1.00 0.00 C ATOM 379 ND1 HIS A 28 -9.878 4.816 -41.375 1.00 0.00 N ATOM 380 CD2 HIS A 28 -8.024 5.775 -42.013 1.00 0.00 C ATOM 381 CE1 HIS A 28 -9.048 4.781 -40.349 1.00 0.00 C ATOM 382 NE2 HIS A 28 -7.915 5.356 -40.710 1.00 0.00 N ATOM 0 H HIS A 28 -10.730 6.552 -45.917 1.00 0.00 H new ATOM 0 HA HIS A 28 -11.610 6.880 -43.245 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.610 4.812 -43.953 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.176 5.624 -44.551 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -10.827 4.441 -41.379 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.263 6.280 -42.589 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.259 4.355 -39.379 1.00 0.00 H new ATOM 390 N LEU A 29 -8.841 8.480 -44.098 1.00 0.00 N ATOM 391 CA LEU A 29 -7.950 9.567 -43.708 1.00 0.00 C ATOM 392 C LEU A 29 -8.740 10.839 -43.413 1.00 0.00 C ATOM 393 O LEU A 29 -8.326 11.663 -42.598 1.00 0.00 O ATOM 394 CB LEU A 29 -6.926 9.834 -44.812 1.00 0.00 C ATOM 395 CG LEU A 29 -5.981 8.678 -45.145 1.00 0.00 C ATOM 396 CD1 LEU A 29 -5.474 8.798 -46.573 1.00 0.00 C ATOM 397 CD2 LEU A 29 -4.817 8.642 -44.165 1.00 0.00 C ATOM 0 H LEU A 29 -8.611 8.046 -44.992 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.427 9.267 -42.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.463 10.111 -45.719 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.325 10.696 -44.522 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.535 7.743 -45.055 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.803 7.967 -46.792 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.318 8.774 -47.262 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.936 9.739 -46.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.155 7.814 -44.417 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.264 9.579 -44.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.198 8.507 -43.153 1.00 0.00 H new ATOM 409 N ARG A 30 -9.879 10.990 -44.081 1.00 0.00 N ATOM 410 CA ARG A 30 -10.727 12.160 -43.890 1.00 0.00 C ATOM 411 C ARG A 30 -11.097 12.329 -42.419 1.00 0.00 C ATOM 412 O ARG A 30 -11.534 13.400 -41.997 1.00 0.00 O ATOM 413 CB ARG A 30 -11.996 12.040 -44.736 1.00 0.00 C ATOM 414 CG ARG A 30 -11.732 12.028 -46.232 1.00 0.00 C ATOM 415 CD ARG A 30 -13.010 12.249 -47.026 1.00 0.00 C ATOM 416 NE ARG A 30 -12.747 12.416 -48.453 1.00 0.00 N ATOM 417 CZ ARG A 30 -13.571 13.044 -49.284 1.00 0.00 C ATOM 418 NH1 ARG A 30 -14.705 13.562 -48.832 1.00 0.00 N ATOM 419 NH2 ARG A 30 -13.262 13.155 -50.569 1.00 0.00 N ATOM 0 H ARG A 30 -10.236 10.317 -44.759 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.168 13.039 -44.209 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.521 11.125 -44.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.660 12.871 -44.500 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.009 12.805 -46.481 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.286 11.075 -46.516 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.680 11.402 -46.878 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.524 13.132 -46.647 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.883 12.029 -48.832 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.946 13.479 -47.844 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.336 14.044 -49.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.391 12.758 -50.920 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.896 13.638 -51.206 1.00 0.00 H new ATOM 433 N LYS A 31 -10.919 11.265 -41.644 1.00 0.00 N ATOM 434 CA LYS A 31 -11.233 11.294 -40.220 1.00 0.00 C ATOM 435 C LYS A 31 -10.092 11.919 -39.424 1.00 0.00 C ATOM 436 O LYS A 31 -10.288 12.387 -38.302 1.00 0.00 O ATOM 437 CB LYS A 31 -11.510 9.878 -39.709 1.00 0.00 C ATOM 438 CG LYS A 31 -12.644 9.179 -40.439 1.00 0.00 C ATOM 439 CD LYS A 31 -12.373 7.692 -40.594 1.00 0.00 C ATOM 440 CE LYS A 31 -11.522 7.158 -39.452 1.00 0.00 C ATOM 441 NZ LYS A 31 -11.923 7.741 -38.142 1.00 0.00 N ATOM 0 H LYS A 31 -10.559 10.371 -41.978 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.125 11.904 -40.082 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.603 9.281 -39.808 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.747 9.924 -38.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.575 9.325 -39.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.778 9.630 -41.422 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.318 7.151 -40.629 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.867 7.510 -41.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.612 6.073 -39.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.473 7.384 -39.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.204 8.425 -37.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.839 8.223 -38.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.007 6.982 -37.436 1.00 0.00 H new ATOM 455 N HIS A 32 -8.900 11.926 -40.012 1.00 0.00 N ATOM 456 CA HIS A 32 -7.728 12.496 -39.358 1.00 0.00 C ATOM 457 C HIS A 32 -7.611 13.988 -39.657 1.00 0.00 C ATOM 458 O HIS A 32 -6.530 14.570 -39.555 1.00 0.00 O ATOM 459 CB HIS A 32 -6.461 11.772 -39.814 1.00 0.00 C ATOM 460 CG HIS A 32 -6.387 10.348 -39.356 1.00 0.00 C ATOM 461 ND1 HIS A 32 -6.368 9.985 -38.026 1.00 0.00 N ATOM 462 CD2 HIS A 32 -6.329 9.193 -40.060 1.00 0.00 C ATOM 463 CE1 HIS A 32 -6.300 8.669 -37.931 1.00 0.00 C ATOM 464 NE2 HIS A 32 -6.276 8.165 -39.152 1.00 0.00 N ATOM 0 H HIS A 32 -8.720 11.543 -40.940 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.844 12.367 -38.282 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.409 11.798 -40.902 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.590 12.311 -39.441 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.401 10.632 -37.238 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.325 9.098 -41.136 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.269 8.102 -37.012 1.00 0.00 H new ATOM 472 N THR A 33 -8.730 14.602 -40.027 1.00 0.00 N ATOM 473 CA THR A 33 -8.753 16.025 -40.342 1.00 0.00 C ATOM 474 C THR A 33 -9.294 16.839 -39.172 1.00 0.00 C ATOM 475 O THR A 33 -9.717 16.283 -38.159 1.00 0.00 O ATOM 476 CB THR A 33 -9.610 16.310 -41.590 1.00 0.00 C ATOM 477 OG1 THR A 33 -10.977 15.969 -41.334 1.00 0.00 O ATOM 478 CG2 THR A 33 -9.101 15.522 -42.787 1.00 0.00 C ATOM 0 H THR A 33 -9.633 14.136 -40.116 1.00 0.00 H new ATOM 0 HA THR A 33 -7.723 16.321 -40.541 1.00 0.00 H new ATOM 0 HB THR A 33 -9.538 17.373 -41.818 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.119 15.019 -41.528 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.722 15.739 -43.656 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.070 15.805 -42.997 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.146 14.456 -42.566 1.00 0.00 H new ATOM 486 N GLY A 34 -9.277 18.160 -39.318 1.00 0.00 N ATOM 487 CA GLY A 34 -9.769 19.029 -38.265 1.00 0.00 C ATOM 488 C GLY A 34 -8.971 18.896 -36.983 1.00 0.00 C ATOM 489 O GLY A 34 -7.968 18.183 -36.940 1.00 0.00 O ATOM 0 H GLY A 34 -8.931 18.644 -40.147 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.733 20.064 -38.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.815 18.795 -38.064 1.00 0.00 H new ATOM 493 N GLU A 35 -9.416 19.583 -35.936 1.00 0.00 N ATOM 494 CA GLU A 35 -8.735 19.539 -34.648 1.00 0.00 C ATOM 495 C GLU A 35 -8.904 18.173 -33.989 1.00 0.00 C ATOM 496 O GLU A 35 -10.009 17.786 -33.610 1.00 0.00 O ATOM 497 CB GLU A 35 -9.273 20.633 -33.723 1.00 0.00 C ATOM 498 CG GLU A 35 -8.533 21.955 -33.849 1.00 0.00 C ATOM 499 CD GLU A 35 -9.321 23.120 -33.283 1.00 0.00 C ATOM 500 OE1 GLU A 35 -10.239 23.608 -33.974 1.00 0.00 O ATOM 501 OE2 GLU A 35 -9.018 23.545 -32.148 1.00 0.00 O ATOM 0 H GLU A 35 -10.245 20.177 -35.955 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.673 19.710 -34.822 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.329 20.795 -33.941 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.210 20.288 -32.691 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.576 21.883 -33.332 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.313 22.146 -34.900 1.00 0.00 H new ATOM 508 N LYS A 36 -7.799 17.446 -33.857 1.00 0.00 N ATOM 509 CA LYS A 36 -7.822 16.123 -33.244 1.00 0.00 C ATOM 510 C LYS A 36 -6.546 15.870 -32.448 1.00 0.00 C ATOM 511 O LYS A 36 -5.465 15.726 -33.020 1.00 0.00 O ATOM 512 CB LYS A 36 -7.990 15.045 -34.317 1.00 0.00 C ATOM 513 CG LYS A 36 -9.415 14.906 -34.823 1.00 0.00 C ATOM 514 CD LYS A 36 -9.797 13.449 -35.023 1.00 0.00 C ATOM 515 CE LYS A 36 -10.532 12.894 -33.813 1.00 0.00 C ATOM 516 NZ LYS A 36 -10.936 11.474 -34.013 1.00 0.00 N ATOM 0 H LYS A 36 -6.876 17.751 -34.167 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.669 16.081 -32.560 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.336 15.276 -35.158 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.662 14.087 -33.912 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.101 15.369 -34.113 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.521 15.443 -35.765 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.427 13.355 -35.907 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.899 12.859 -35.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.893 12.969 -32.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.417 13.499 -33.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.434 11.132 -33.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.567 11.405 -34.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.090 10.892 -34.175 1.00 0.00 H new ATOM 530 N PHE A 37 -6.679 15.816 -31.127 1.00 0.00 N ATOM 531 CA PHE A 37 -5.536 15.579 -30.253 1.00 0.00 C ATOM 532 C PHE A 37 -5.542 14.147 -29.726 1.00 0.00 C ATOM 533 O PHE A 37 -6.248 13.829 -28.770 1.00 0.00 O ATOM 534 CB PHE A 37 -5.548 16.565 -29.083 1.00 0.00 C ATOM 535 CG PHE A 37 -5.589 18.004 -29.513 1.00 0.00 C ATOM 536 CD1 PHE A 37 -4.429 18.662 -29.886 1.00 0.00 C ATOM 537 CD2 PHE A 37 -6.788 18.697 -29.544 1.00 0.00 C ATOM 538 CE1 PHE A 37 -4.464 19.986 -30.281 1.00 0.00 C ATOM 539 CE2 PHE A 37 -6.830 20.022 -29.938 1.00 0.00 C ATOM 540 CZ PHE A 37 -5.666 20.666 -30.308 1.00 0.00 C ATOM 0 H PHE A 37 -7.567 15.933 -30.638 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.627 15.729 -30.836 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.412 16.358 -28.452 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.661 16.402 -28.471 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.487 18.135 -29.868 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.701 18.197 -29.257 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.552 20.489 -30.568 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.771 20.552 -29.956 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.695 21.700 -30.618 1.00 0.00 H new ATOM 550 N ALA A 38 -4.749 13.287 -30.358 1.00 0.00 N ATOM 551 CA ALA A 38 -4.662 11.890 -29.952 1.00 0.00 C ATOM 552 C ALA A 38 -3.855 11.741 -28.667 1.00 0.00 C ATOM 553 O ALA A 38 -2.943 12.524 -28.400 1.00 0.00 O ATOM 554 CB ALA A 38 -4.045 11.055 -31.065 1.00 0.00 C ATOM 0 H ALA A 38 -4.158 13.533 -31.152 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.672 11.529 -29.759 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.986 10.014 -30.749 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.663 11.128 -31.960 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.043 11.425 -31.285 1.00 0.00 H new ATOM 560 N CYS A 39 -4.196 10.731 -27.873 1.00 0.00 N ATOM 561 CA CYS A 39 -3.505 10.479 -26.615 1.00 0.00 C ATOM 562 C CYS A 39 -2.160 9.801 -26.859 1.00 0.00 C ATOM 563 O CYS A 39 -2.056 8.880 -27.669 1.00 0.00 O ATOM 564 CB CYS A 39 -4.368 9.609 -25.699 1.00 0.00 C ATOM 565 SG CYS A 39 -3.584 9.200 -24.107 1.00 0.00 S ATOM 0 H CYS A 39 -4.948 10.073 -28.080 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.326 11.439 -26.130 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.309 10.125 -25.507 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.613 8.683 -26.220 1.00 0.00 H new ATOM 570 N ASP A 40 -1.134 10.262 -26.153 1.00 0.00 N ATOM 571 CA ASP A 40 0.205 9.700 -26.292 1.00 0.00 C ATOM 572 C ASP A 40 0.386 8.496 -25.372 1.00 0.00 C ATOM 573 O ASP A 40 1.510 8.127 -25.031 1.00 0.00 O ATOM 574 CB ASP A 40 1.262 10.760 -25.979 1.00 0.00 C ATOM 575 CG ASP A 40 1.699 11.523 -27.213 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.296 10.899 -28.115 1.00 0.00 O ATOM 577 OD2 ASP A 40 1.446 12.745 -27.278 1.00 0.00 O ATOM 0 H ASP A 40 -1.203 11.024 -25.478 1.00 0.00 H new ATOM 0 HA ASP A 40 0.328 9.369 -27.323 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.864 11.460 -25.244 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.130 10.281 -25.525 1.00 0.00 H new ATOM 582 N TYR A 41 -0.726 7.890 -24.973 1.00 0.00 N ATOM 583 CA TYR A 41 -0.691 6.730 -24.091 1.00 0.00 C ATOM 584 C TYR A 41 -1.535 5.591 -24.653 1.00 0.00 C ATOM 585 O TYR A 41 -1.215 4.416 -24.469 1.00 0.00 O ATOM 586 CB TYR A 41 -1.190 7.109 -22.695 1.00 0.00 C ATOM 587 CG TYR A 41 -0.381 8.205 -22.040 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.276 9.462 -22.623 1.00 0.00 C ATOM 589 CD2 TYR A 41 0.277 7.984 -20.836 1.00 0.00 C ATOM 590 CE1 TYR A 41 0.462 10.466 -22.027 1.00 0.00 C ATOM 591 CE2 TYR A 41 1.017 8.983 -20.233 1.00 0.00 C ATOM 592 CZ TYR A 41 1.107 10.222 -20.833 1.00 0.00 C ATOM 593 OH TYR A 41 1.843 11.220 -20.236 1.00 0.00 O ATOM 0 H TYR A 41 -1.664 8.183 -25.247 1.00 0.00 H new ATOM 0 HA TYR A 41 0.342 6.391 -24.021 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.230 7.428 -22.764 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.170 6.224 -22.059 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.780 9.657 -23.558 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.209 7.015 -20.364 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.533 11.437 -22.494 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.522 8.795 -19.297 1.00 0.00 H new ATOM 0 HH TYR A 41 2.232 10.885 -19.401 1.00 0.00 H new ATOM 603 N CYS A 42 -2.615 5.947 -25.341 1.00 0.00 N ATOM 604 CA CYS A 42 -3.507 4.957 -25.932 1.00 0.00 C ATOM 605 C CYS A 42 -4.055 5.448 -27.268 1.00 0.00 C ATOM 606 O CYS A 42 -3.666 6.507 -27.759 1.00 0.00 O ATOM 607 CB CYS A 42 -4.662 4.646 -24.977 1.00 0.00 C ATOM 608 SG CYS A 42 -5.840 6.019 -24.764 1.00 0.00 S ATOM 0 H CYS A 42 -2.893 6.915 -25.503 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.934 4.046 -26.107 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.200 3.773 -25.347 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.252 4.378 -24.003 1.00 0.00 H new ATOM 613 N SER A 43 -4.962 4.670 -27.851 1.00 0.00 N ATOM 614 CA SER A 43 -5.561 5.023 -29.133 1.00 0.00 C ATOM 615 C SER A 43 -6.726 5.989 -28.939 1.00 0.00 C ATOM 616 O SER A 43 -7.684 5.987 -29.712 1.00 0.00 O ATOM 617 CB SER A 43 -6.042 3.765 -29.859 1.00 0.00 C ATOM 618 OG SER A 43 -4.996 2.819 -29.987 1.00 0.00 O ATOM 0 H SER A 43 -5.298 3.792 -27.456 1.00 0.00 H new ATOM 0 HA SER A 43 -4.800 5.515 -29.739 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.873 3.321 -29.311 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.418 4.032 -30.847 1.00 0.00 H new ATOM 0 HG SER A 43 -5.329 2.024 -30.453 1.00 0.00 H new ATOM 624 N PHE A 44 -6.636 6.814 -27.902 1.00 0.00 N ATOM 625 CA PHE A 44 -7.682 7.786 -27.604 1.00 0.00 C ATOM 626 C PHE A 44 -7.519 9.039 -28.459 1.00 0.00 C ATOM 627 O PHE A 44 -6.420 9.354 -28.918 1.00 0.00 O ATOM 628 CB PHE A 44 -7.654 8.160 -26.121 1.00 0.00 C ATOM 629 CG PHE A 44 -8.566 9.301 -25.773 1.00 0.00 C ATOM 630 CD1 PHE A 44 -8.121 10.610 -25.854 1.00 0.00 C ATOM 631 CD2 PHE A 44 -9.869 9.064 -25.364 1.00 0.00 C ATOM 632 CE1 PHE A 44 -8.959 11.663 -25.534 1.00 0.00 C ATOM 633 CE2 PHE A 44 -10.711 10.112 -25.044 1.00 0.00 C ATOM 634 CZ PHE A 44 -10.255 11.413 -25.128 1.00 0.00 C ATOM 0 H PHE A 44 -5.849 6.829 -27.253 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.644 7.330 -27.838 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.934 7.288 -25.529 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.634 8.422 -25.840 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.108 10.811 -26.171 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.230 8.049 -25.295 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.600 12.679 -25.602 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.725 9.914 -24.729 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.911 12.233 -24.877 1.00 0.00 H new ATOM 644 N THR A 45 -8.621 9.752 -28.670 1.00 0.00 N ATOM 645 CA THR A 45 -8.602 10.970 -29.471 1.00 0.00 C ATOM 646 C THR A 45 -9.673 11.950 -29.006 1.00 0.00 C ATOM 647 O THR A 45 -10.693 11.550 -28.443 1.00 0.00 O ATOM 648 CB THR A 45 -8.818 10.663 -30.965 1.00 0.00 C ATOM 649 OG1 THR A 45 -9.880 9.716 -31.123 1.00 0.00 O ATOM 650 CG2 THR A 45 -7.545 10.116 -31.594 1.00 0.00 C ATOM 0 H THR A 45 -9.538 9.507 -28.297 1.00 0.00 H new ATOM 0 HA THR A 45 -7.618 11.420 -29.338 1.00 0.00 H new ATOM 0 HB THR A 45 -9.084 11.592 -31.469 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.012 9.528 -32.076 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.721 9.906 -32.649 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.747 10.852 -31.499 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.254 9.197 -31.085 1.00 0.00 H new ATOM 658 N CYS A 46 -9.436 13.235 -29.245 1.00 0.00 N ATOM 659 CA CYS A 46 -10.381 14.274 -28.850 1.00 0.00 C ATOM 660 C CYS A 46 -10.246 15.500 -29.746 1.00 0.00 C ATOM 661 O CYS A 46 -9.311 15.603 -30.540 1.00 0.00 O ATOM 662 CB CYS A 46 -10.157 14.667 -27.389 1.00 0.00 C ATOM 663 SG CYS A 46 -11.651 15.223 -26.537 1.00 0.00 S ATOM 0 H CYS A 46 -8.598 13.583 -29.710 1.00 0.00 H new ATOM 0 HA CYS A 46 -11.389 13.875 -28.961 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.743 13.813 -26.854 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.411 15.461 -27.348 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.564 14.931 -25.273 1.00 0.00 H new ATOM 669 N LEU A 47 -11.188 16.428 -29.615 1.00 0.00 N ATOM 670 CA LEU A 47 -11.176 17.649 -30.414 1.00 0.00 C ATOM 671 C LEU A 47 -10.674 18.832 -29.593 1.00 0.00 C ATOM 672 O LEU A 47 -10.110 19.782 -30.136 1.00 0.00 O ATOM 673 CB LEU A 47 -12.578 17.943 -30.951 1.00 0.00 C ATOM 674 CG LEU A 47 -12.883 17.419 -32.354 1.00 0.00 C ATOM 675 CD1 LEU A 47 -12.527 15.944 -32.462 1.00 0.00 C ATOM 676 CD2 LEU A 47 -14.348 17.642 -32.700 1.00 0.00 C ATOM 0 H LEU A 47 -11.970 16.358 -28.963 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.496 17.499 -31.253 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -13.306 17.518 -30.260 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.727 19.023 -30.948 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.273 17.972 -33.068 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.751 15.588 -33.468 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.465 15.810 -32.258 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.110 15.375 -31.738 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.547 17.263 -33.702 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.976 17.115 -31.981 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.572 18.708 -32.664 1.00 0.00 H new ATOM 688 N SER A 48 -10.881 18.767 -28.282 1.00 0.00 N ATOM 689 CA SER A 48 -10.451 19.834 -27.386 1.00 0.00 C ATOM 690 C SER A 48 -9.244 19.397 -26.561 1.00 0.00 C ATOM 691 O SER A 48 -9.388 18.902 -25.443 1.00 0.00 O ATOM 692 CB SER A 48 -11.597 20.243 -26.458 1.00 0.00 C ATOM 693 OG SER A 48 -11.438 21.577 -26.009 1.00 0.00 O ATOM 0 H SER A 48 -11.344 17.986 -27.816 1.00 0.00 H new ATOM 0 HA SER A 48 -10.162 20.691 -27.994 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.547 20.143 -26.983 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.634 19.570 -25.602 1.00 0.00 H new ATOM 0 HG SER A 48 -12.184 21.815 -25.419 1.00 0.00 H new ATOM 699 N LYS A 49 -8.054 19.584 -27.121 1.00 0.00 N ATOM 700 CA LYS A 49 -6.820 19.211 -26.439 1.00 0.00 C ATOM 701 C LYS A 49 -6.968 19.358 -24.928 1.00 0.00 C ATOM 702 O LYS A 49 -6.459 18.541 -24.162 1.00 0.00 O ATOM 703 CB LYS A 49 -5.658 20.075 -26.935 1.00 0.00 C ATOM 704 CG LYS A 49 -6.058 21.504 -27.259 1.00 0.00 C ATOM 705 CD LYS A 49 -5.812 22.432 -26.081 1.00 0.00 C ATOM 706 CE LYS A 49 -5.442 23.833 -26.543 1.00 0.00 C ATOM 707 NZ LYS A 49 -5.412 24.801 -25.412 1.00 0.00 N ATOM 0 H LYS A 49 -7.918 19.992 -28.046 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.610 18.166 -26.666 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.876 20.089 -26.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.229 19.616 -27.826 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.493 21.854 -28.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.112 21.534 -27.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.706 22.477 -25.459 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.012 22.029 -25.460 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.466 23.810 -27.027 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.160 24.170 -27.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.156 25.744 -25.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.351 24.843 -24.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.709 24.493 -24.710 1.00 0.00 H new ATOM 721 N GLY A 50 -7.670 20.406 -24.506 1.00 0.00 N ATOM 722 CA GLY A 50 -7.874 20.639 -23.088 1.00 0.00 C ATOM 723 C GLY A 50 -8.355 19.401 -22.359 1.00 0.00 C ATOM 724 O GLY A 50 -7.797 19.021 -21.329 1.00 0.00 O ATOM 0 H GLY A 50 -8.101 21.097 -25.120 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.940 20.980 -22.641 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.601 21.440 -22.956 1.00 0.00 H new ATOM 728 N HIS A 51 -9.396 18.769 -22.893 1.00 0.00 N ATOM 729 CA HIS A 51 -9.954 17.566 -22.285 1.00 0.00 C ATOM 730 C HIS A 51 -8.940 16.426 -22.308 1.00 0.00 C ATOM 731 O HIS A 51 -8.779 15.705 -21.322 1.00 0.00 O ATOM 732 CB HIS A 51 -11.229 17.144 -23.016 1.00 0.00 C ATOM 733 CG HIS A 51 -12.138 16.288 -22.189 1.00 0.00 C ATOM 734 ND1 HIS A 51 -13.126 15.496 -22.733 1.00 0.00 N ATOM 735 CD2 HIS A 51 -12.203 16.102 -20.850 1.00 0.00 C ATOM 736 CE1 HIS A 51 -13.761 14.860 -21.764 1.00 0.00 C ATOM 737 NE2 HIS A 51 -13.220 15.210 -20.611 1.00 0.00 N ATOM 0 H HIS A 51 -9.870 19.070 -23.745 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.197 17.792 -21.247 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.770 18.036 -23.330 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.956 16.601 -23.921 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.572 16.568 -20.107 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.583 14.171 -21.893 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -13.510 14.873 -19.693 1.00 0.00 H new ATOM 745 N LEU A 52 -8.260 16.268 -23.438 1.00 0.00 N ATOM 746 CA LEU A 52 -7.262 15.215 -23.589 1.00 0.00 C ATOM 747 C LEU A 52 -6.361 15.137 -22.361 1.00 0.00 C ATOM 748 O LEU A 52 -6.075 14.052 -21.854 1.00 0.00 O ATOM 749 CB LEU A 52 -6.417 15.462 -24.840 1.00 0.00 C ATOM 750 CG LEU A 52 -5.206 14.547 -25.024 1.00 0.00 C ATOM 751 CD1 LEU A 52 -5.652 13.115 -25.275 1.00 0.00 C ATOM 752 CD2 LEU A 52 -4.331 15.042 -26.166 1.00 0.00 C ATOM 0 H LEU A 52 -8.381 16.855 -24.263 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.786 14.265 -23.693 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.060 15.360 -25.714 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.067 16.494 -24.820 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.618 14.568 -24.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.777 12.478 -25.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.236 12.762 -24.425 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.264 13.077 -26.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.474 14.378 -26.282 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.910 15.052 -27.090 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.981 16.051 -25.946 1.00 0.00 H new ATOM 764 N LYS A 53 -5.918 16.296 -21.884 1.00 0.00 N ATOM 765 CA LYS A 53 -5.053 16.361 -20.712 1.00 0.00 C ATOM 766 C LYS A 53 -5.680 15.627 -19.532 1.00 0.00 C ATOM 767 O LYS A 53 -5.007 14.872 -18.829 1.00 0.00 O ATOM 768 CB LYS A 53 -4.781 17.819 -20.334 1.00 0.00 C ATOM 769 CG LYS A 53 -4.222 17.989 -18.932 1.00 0.00 C ATOM 770 CD LYS A 53 -3.894 19.443 -18.636 1.00 0.00 C ATOM 771 CE LYS A 53 -2.477 19.793 -19.062 1.00 0.00 C ATOM 772 NZ LYS A 53 -2.321 21.250 -19.328 1.00 0.00 N ATOM 0 H LYS A 53 -6.144 17.203 -22.292 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.110 15.874 -20.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.079 18.247 -21.050 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.708 18.386 -20.418 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.946 17.623 -18.204 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.323 17.382 -18.821 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.601 20.090 -19.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.012 19.634 -17.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.778 19.489 -18.283 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.218 19.230 -19.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.341 21.447 -19.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.970 21.535 -20.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.543 21.786 -18.465 1.00 0.00 H new ATOM 786 N VAL A 54 -6.973 15.852 -19.320 1.00 0.00 N ATOM 787 CA VAL A 54 -7.691 15.209 -18.225 1.00 0.00 C ATOM 788 C VAL A 54 -7.743 13.697 -18.415 1.00 0.00 C ATOM 789 O VAL A 54 -7.624 12.936 -17.454 1.00 0.00 O ATOM 790 CB VAL A 54 -9.128 15.750 -18.103 1.00 0.00 C ATOM 791 CG1 VAL A 54 -9.891 15.000 -17.023 1.00 0.00 C ATOM 792 CG2 VAL A 54 -9.112 17.244 -17.816 1.00 0.00 C ATOM 0 H VAL A 54 -7.545 16.474 -19.892 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.145 15.438 -17.310 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.639 15.591 -19.052 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.904 15.396 -16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.933 13.941 -17.276 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.384 15.125 -16.066 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.136 17.610 -17.733 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.584 17.429 -16.881 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.605 17.765 -18.628 1.00 0.00 H new ATOM 802 N HIS A 55 -7.922 13.268 -19.660 1.00 0.00 N ATOM 803 CA HIS A 55 -7.989 11.846 -19.977 1.00 0.00 C ATOM 804 C HIS A 55 -6.760 11.113 -19.448 1.00 0.00 C ATOM 805 O HIS A 55 -6.859 9.988 -18.959 1.00 0.00 O ATOM 806 CB HIS A 55 -8.107 11.643 -21.488 1.00 0.00 C ATOM 807 CG HIS A 55 -7.679 10.283 -21.945 1.00 0.00 C ATOM 808 ND1 HIS A 55 -8.497 9.175 -21.880 1.00 0.00 N ATOM 809 CD2 HIS A 55 -6.510 9.855 -22.477 1.00 0.00 C ATOM 810 CE1 HIS A 55 -7.850 8.124 -22.351 1.00 0.00 C ATOM 811 NE2 HIS A 55 -6.642 8.510 -22.721 1.00 0.00 N ATOM 0 H HIS A 55 -8.023 13.885 -20.466 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.874 11.433 -19.493 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.141 11.809 -21.789 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.502 12.395 -21.996 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.453 9.168 -21.524 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.636 10.459 -22.673 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.242 7.120 -22.422 1.00 0.00 H new ATOM 819 N ILE A 56 -5.603 11.759 -19.550 1.00 0.00 N ATOM 820 CA ILE A 56 -4.355 11.168 -19.081 1.00 0.00 C ATOM 821 C ILE A 56 -4.220 11.297 -17.568 1.00 0.00 C ATOM 822 O ILE A 56 -3.549 10.492 -16.925 1.00 0.00 O ATOM 823 CB ILE A 56 -3.134 11.825 -19.752 1.00 0.00 C ATOM 824 CG1 ILE A 56 -3.136 11.539 -21.255 1.00 0.00 C ATOM 825 CG2 ILE A 56 -1.847 11.327 -19.114 1.00 0.00 C ATOM 826 CD1 ILE A 56 -2.364 12.558 -22.065 1.00 0.00 C ATOM 0 H ILE A 56 -5.504 12.691 -19.953 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.384 10.113 -19.352 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.194 12.904 -19.606 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.711 10.551 -21.429 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.166 11.510 -21.610 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.993 11.800 -19.599 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.846 11.577 -18.053 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.777 10.246 -19.232 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.408 12.292 -23.121 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.803 13.545 -21.921 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.325 12.571 -21.737 1.00 0.00 H new ATOM 838 N GLU A 57 -4.864 12.316 -17.006 1.00 0.00 N ATOM 839 CA GLU A 57 -4.816 12.549 -15.568 1.00 0.00 C ATOM 840 C GLU A 57 -5.914 11.766 -14.853 1.00 0.00 C ATOM 841 O GLU A 57 -5.936 11.689 -13.624 1.00 0.00 O ATOM 842 CB GLU A 57 -4.960 14.042 -15.266 1.00 0.00 C ATOM 843 CG GLU A 57 -3.978 14.915 -16.030 1.00 0.00 C ATOM 844 CD GLU A 57 -2.701 15.173 -15.254 1.00 0.00 C ATOM 845 OE1 GLU A 57 -2.096 14.197 -14.764 1.00 0.00 O ATOM 846 OE2 GLU A 57 -2.307 16.353 -15.138 1.00 0.00 O ATOM 0 H GLU A 57 -5.424 12.992 -17.525 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.849 12.203 -15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.976 14.356 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.821 14.203 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.732 14.436 -16.978 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.453 15.867 -16.268 1.00 0.00 H new ATOM 853 N ARG A 58 -6.823 11.188 -15.631 1.00 0.00 N ATOM 854 CA ARG A 58 -7.924 10.413 -15.073 1.00 0.00 C ATOM 855 C ARG A 58 -7.794 8.938 -15.443 1.00 0.00 C ATOM 856 O ARG A 58 -8.061 8.057 -14.627 1.00 0.00 O ATOM 857 CB ARG A 58 -9.264 10.958 -15.572 1.00 0.00 C ATOM 858 CG ARG A 58 -9.693 10.385 -16.913 1.00 0.00 C ATOM 859 CD ARG A 58 -10.864 11.158 -17.499 1.00 0.00 C ATOM 860 NE ARG A 58 -12.068 11.030 -16.682 1.00 0.00 N ATOM 861 CZ ARG A 58 -13.282 11.368 -17.104 1.00 0.00 C ATOM 862 NH1 ARG A 58 -13.452 11.851 -18.327 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.329 11.223 -16.302 1.00 0.00 N ATOM 0 H ARG A 58 -6.819 11.242 -16.650 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.884 10.503 -13.987 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.033 10.741 -14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.197 12.043 -15.654 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.853 10.413 -17.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.971 9.338 -16.791 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.596 12.211 -17.587 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.069 10.796 -18.506 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.972 10.661 -15.736 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.650 11.964 -18.947 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.385 12.110 -18.648 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.203 10.852 -15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.260 11.483 -16.627 1.00 0.00 H new ATOM 877 N VAL A 59 -7.381 8.678 -16.680 1.00 0.00 N ATOM 878 CA VAL A 59 -7.215 7.311 -17.158 1.00 0.00 C ATOM 879 C VAL A 59 -5.796 6.811 -16.911 1.00 0.00 C ATOM 880 O VAL A 59 -5.582 5.869 -16.148 1.00 0.00 O ATOM 881 CB VAL A 59 -7.532 7.200 -18.661 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.373 5.763 -19.136 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.935 7.712 -18.948 1.00 0.00 C ATOM 0 H VAL A 59 -7.156 9.396 -17.368 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.917 6.693 -16.599 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.824 7.820 -19.211 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.601 5.704 -20.200 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.348 5.435 -18.966 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.056 5.119 -18.582 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.142 7.626 -20.015 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.660 7.120 -18.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.010 8.757 -18.647 1.00 0.00 H new ATOM 893 N HIS A 60 -4.828 7.450 -17.561 1.00 0.00 N ATOM 894 CA HIS A 60 -3.427 7.071 -17.412 1.00 0.00 C ATOM 895 C HIS A 60 -2.787 7.809 -16.240 1.00 0.00 C ATOM 896 O HIS A 60 -1.630 8.224 -16.310 1.00 0.00 O ATOM 897 CB HIS A 60 -2.656 7.368 -18.698 1.00 0.00 C ATOM 898 CG HIS A 60 -3.339 6.867 -19.934 1.00 0.00 C ATOM 899 ND1 HIS A 60 -3.361 5.536 -20.295 1.00 0.00 N ATOM 900 CD2 HIS A 60 -4.027 7.527 -20.894 1.00 0.00 C ATOM 901 CE1 HIS A 60 -4.032 5.400 -21.424 1.00 0.00 C ATOM 902 NE2 HIS A 60 -4.448 6.593 -21.809 1.00 0.00 N ATOM 0 H HIS A 60 -4.988 8.232 -18.196 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.385 6.000 -17.212 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.510 8.445 -18.784 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.666 6.917 -18.631 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.927 4.776 -19.772 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.211 8.590 -20.934 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.210 4.471 -21.944 1.00 0.00 H new ATOM 910 N LYS A 61 -3.548 7.970 -15.162 1.00 0.00 N ATOM 911 CA LYS A 61 -3.056 8.657 -13.974 1.00 0.00 C ATOM 912 C LYS A 61 -2.165 7.739 -13.144 1.00 0.00 C ATOM 913 O LYS A 61 -2.597 6.678 -12.692 1.00 0.00 O ATOM 914 CB LYS A 61 -4.228 9.152 -13.124 1.00 0.00 C ATOM 915 CG LYS A 61 -3.854 10.266 -12.161 1.00 0.00 C ATOM 916 CD LYS A 61 -3.418 9.716 -10.814 1.00 0.00 C ATOM 917 CE LYS A 61 -4.581 9.079 -10.069 1.00 0.00 C ATOM 918 NZ LYS A 61 -4.302 8.952 -8.611 1.00 0.00 N ATOM 0 H LYS A 61 -4.508 7.634 -15.087 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.464 9.512 -14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.021 9.505 -13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.634 8.314 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.049 10.863 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.706 10.932 -12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.629 8.978 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.995 10.520 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.479 9.679 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.784 8.093 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.118 8.514 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.460 8.359 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.133 9.895 -8.206 1.00 0.00 H new ATOM 932 N LYS A 62 -0.918 8.153 -12.944 1.00 0.00 N ATOM 933 CA LYS A 62 0.034 7.370 -12.166 1.00 0.00 C ATOM 934 C LYS A 62 0.531 6.169 -12.964 1.00 0.00 C ATOM 935 O LYS A 62 0.394 5.024 -12.531 1.00 0.00 O ATOM 936 CB LYS A 62 -0.609 6.897 -10.860 1.00 0.00 C ATOM 937 CG LYS A 62 0.396 6.581 -9.767 1.00 0.00 C ATOM 938 CD LYS A 62 -0.246 6.624 -8.390 1.00 0.00 C ATOM 939 CE LYS A 62 0.779 6.394 -7.290 1.00 0.00 C ATOM 940 NZ LYS A 62 0.980 4.945 -7.013 1.00 0.00 N ATOM 0 H LYS A 62 -0.543 9.028 -13.311 1.00 0.00 H new ATOM 0 HA LYS A 62 0.887 8.008 -11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.293 7.667 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.207 6.008 -11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.824 5.593 -9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.218 7.296 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.729 7.590 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.026 5.865 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.729 6.844 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.453 6.896 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.686 4.831 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.079 4.521 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.316 4.470 -7.875 1.00 0.00 H new ATOM 954 N ILE A 63 1.110 6.437 -14.130 1.00 0.00 N ATOM 955 CA ILE A 63 1.629 5.378 -14.986 1.00 0.00 C ATOM 956 C ILE A 63 3.031 4.960 -14.554 1.00 0.00 C ATOM 957 O ILE A 63 3.890 5.803 -14.293 1.00 0.00 O ATOM 958 CB ILE A 63 1.668 5.815 -16.462 1.00 0.00 C ATOM 959 CG1 ILE A 63 2.043 4.632 -17.357 1.00 0.00 C ATOM 960 CG2 ILE A 63 2.652 6.960 -16.649 1.00 0.00 C ATOM 961 CD1 ILE A 63 0.870 3.741 -17.702 1.00 0.00 C ATOM 0 H ILE A 63 1.231 7.379 -14.503 1.00 0.00 H new ATOM 0 HA ILE A 63 0.952 4.530 -14.885 1.00 0.00 H new ATOM 0 HB ILE A 63 0.676 6.163 -16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.486 5.010 -18.279 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.807 4.036 -16.857 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.669 7.258 -17.697 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.345 7.807 -16.036 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.648 6.636 -16.348 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.209 2.924 -18.338 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.441 3.334 -16.787 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.114 4.323 -18.230 1.00 0.00 H new ATOM 973 N LYS A 64 3.257 3.652 -14.482 1.00 0.00 N ATOM 974 CA LYS A 64 4.555 3.120 -14.085 1.00 0.00 C ATOM 975 C LYS A 64 5.361 2.686 -15.305 1.00 0.00 C ATOM 976 O LYS A 64 5.899 1.580 -15.343 1.00 0.00 O ATOM 977 CB LYS A 64 4.374 1.936 -13.132 1.00 0.00 C ATOM 978 CG LYS A 64 3.688 0.741 -13.771 1.00 0.00 C ATOM 979 CD LYS A 64 2.996 -0.125 -12.732 1.00 0.00 C ATOM 980 CE LYS A 64 2.239 -1.274 -13.379 1.00 0.00 C ATOM 981 NZ LYS A 64 3.160 -2.308 -13.927 1.00 0.00 N ATOM 0 H LYS A 64 2.557 2.941 -14.694 1.00 0.00 H new ATOM 0 HA LYS A 64 5.103 3.911 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.351 1.627 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.792 2.260 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.958 1.087 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.423 0.145 -14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.736 -0.521 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.305 0.485 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.576 -1.731 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.609 -0.888 -14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.779 -2.672 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.096 -1.886 -14.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.249 -3.089 -13.246 1.00 0.00 H new ATOM 995 N GLN A 65 5.441 3.565 -16.299 1.00 0.00 N ATOM 996 CA GLN A 65 6.183 3.272 -17.520 1.00 0.00 C ATOM 997 C GLN A 65 7.441 2.467 -17.212 1.00 0.00 C ATOM 998 O GLN A 65 8.136 2.733 -16.230 1.00 0.00 O ATOM 999 CB GLN A 65 6.556 4.569 -18.240 1.00 0.00 C ATOM 1000 CG GLN A 65 6.730 4.403 -19.741 1.00 0.00 C ATOM 1001 CD GLN A 65 5.493 3.839 -20.413 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.281 2.626 -20.430 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.669 4.718 -20.971 1.00 0.00 N ATOM 0 H GLN A 65 5.001 4.485 -16.283 1.00 0.00 H new ATOM 0 HA GLN A 65 5.542 2.676 -18.170 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.783 5.314 -18.052 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.482 4.957 -17.816 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.971 5.369 -20.184 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.576 3.744 -19.934 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.884 5.714 -20.933 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.821 4.397 -21.438 1.00 0.00 H new ATOM 1012 N HIS A 66 7.729 1.482 -18.057 1.00 0.00 N ATOM 1013 CA HIS A 66 8.905 0.638 -17.875 1.00 0.00 C ATOM 1014 C HIS A 66 9.866 0.784 -19.051 1.00 0.00 C ATOM 1015 O HIS A 66 9.524 0.464 -20.189 1.00 0.00 O ATOM 1016 CB HIS A 66 8.490 -0.825 -17.719 1.00 0.00 C ATOM 1017 CG HIS A 66 7.876 -1.408 -18.955 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.526 -1.341 -19.228 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.437 -2.070 -19.994 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.283 -1.938 -20.381 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.426 -2.389 -20.867 1.00 0.00 N ATOM 0 H HIS A 66 7.165 1.249 -18.874 1.00 0.00 H new ATOM 0 HA HIS A 66 9.417 0.961 -16.968 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.364 -1.415 -17.445 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.779 -0.907 -16.897 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.485 -2.304 -20.114 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.314 -2.040 -20.847 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.539 -2.892 -21.747 1.00 0.00 H new ATOM 1029 N CYS A 67 11.070 1.271 -18.768 1.00 0.00 N ATOM 1030 CA CYS A 67 12.080 1.461 -19.801 1.00 0.00 C ATOM 1031 C CYS A 67 12.191 0.225 -20.689 1.00 0.00 C ATOM 1032 O CYS A 67 12.381 -0.889 -20.199 1.00 0.00 O ATOM 1033 CB CYS A 67 13.438 1.769 -19.166 1.00 0.00 C ATOM 1034 SG CYS A 67 14.590 2.653 -20.266 1.00 0.00 S ATOM 0 H CYS A 67 11.369 1.541 -17.831 1.00 0.00 H new ATOM 0 HA CYS A 67 11.775 2.305 -20.420 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.280 2.366 -18.268 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.900 0.834 -18.850 1.00 0.00 H new ATOM 1039 N ARG A 68 12.070 0.429 -21.996 1.00 0.00 N ATOM 1040 CA ARG A 68 12.155 -0.669 -22.952 1.00 0.00 C ATOM 1041 C ARG A 68 13.610 -1.036 -23.230 1.00 0.00 C ATOM 1042 O ARG A 68 13.906 -1.773 -24.171 1.00 0.00 O ATOM 1043 CB ARG A 68 11.455 -0.291 -24.259 1.00 0.00 C ATOM 1044 CG ARG A 68 12.013 0.965 -24.907 1.00 0.00 C ATOM 1045 CD ARG A 68 13.161 0.642 -25.851 1.00 0.00 C ATOM 1046 NE ARG A 68 12.726 -0.173 -26.983 1.00 0.00 N ATOM 1047 CZ ARG A 68 12.172 0.330 -28.080 1.00 0.00 C ATOM 1048 NH1 ARG A 68 11.985 1.638 -28.193 1.00 0.00 N ATOM 1049 NH2 ARG A 68 11.803 -0.476 -29.067 1.00 0.00 N ATOM 0 H ARG A 68 11.913 1.344 -22.418 1.00 0.00 H new ATOM 0 HA ARG A 68 11.656 -1.535 -22.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.541 -1.121 -24.961 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.392 -0.148 -24.064 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.221 1.475 -25.456 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.358 1.652 -24.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.599 1.569 -26.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.943 0.115 -25.304 1.00 0.00 H new ATOM 0 HE ARG A 68 12.855 -1.183 -26.928 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.267 2.261 -27.436 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.559 2.021 -29.037 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.945 -1.483 -28.983 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.377 -0.089 -29.909 1.00 0.00 H new ATOM 1063 N PHE A 69 14.514 -0.518 -22.405 1.00 0.00 N ATOM 1064 CA PHE A 69 15.938 -0.789 -22.563 1.00 0.00 C ATOM 1065 C PHE A 69 16.481 -1.559 -21.362 1.00 0.00 C ATOM 1066 O PHE A 69 17.280 -2.483 -21.513 1.00 0.00 O ATOM 1067 CB PHE A 69 16.712 0.519 -22.737 1.00 0.00 C ATOM 1068 CG PHE A 69 16.473 1.185 -24.062 1.00 0.00 C ATOM 1069 CD1 PHE A 69 17.009 0.657 -25.225 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.711 2.339 -24.144 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.791 1.268 -26.445 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.489 2.955 -25.361 1.00 0.00 C ATOM 1073 CZ PHE A 69 16.029 2.419 -26.513 1.00 0.00 C ATOM 0 H PHE A 69 14.286 0.092 -21.620 1.00 0.00 H new ATOM 0 HA PHE A 69 16.069 -1.401 -23.455 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.433 1.206 -21.938 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.778 0.319 -22.627 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.604 -0.243 -25.178 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.285 2.762 -23.246 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.216 0.847 -27.344 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.894 3.855 -25.411 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.856 2.898 -27.465 1.00 0.00 H new ATOM 1083 N CYS A 70 16.041 -1.170 -20.170 1.00 0.00 N ATOM 1084 CA CYS A 70 16.482 -1.821 -18.942 1.00 0.00 C ATOM 1085 C CYS A 70 15.293 -2.155 -18.046 1.00 0.00 C ATOM 1086 O CYS A 70 15.428 -2.249 -16.826 1.00 0.00 O ATOM 1087 CB CYS A 70 17.466 -0.923 -18.190 1.00 0.00 C ATOM 1088 SG CYS A 70 16.806 0.725 -17.783 1.00 0.00 S ATOM 0 H CYS A 70 15.379 -0.407 -20.028 1.00 0.00 H new ATOM 0 HA CYS A 70 16.983 -2.751 -19.212 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.764 -1.421 -17.268 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.366 -0.803 -18.793 1.00 0.00 H new ATOM 1093 N LYS A 71 14.128 -2.332 -18.660 1.00 0.00 N ATOM 1094 CA LYS A 71 12.914 -2.657 -17.920 1.00 0.00 C ATOM 1095 C LYS A 71 12.900 -1.958 -16.564 1.00 0.00 C ATOM 1096 O LYS A 71 12.747 -2.600 -15.525 1.00 0.00 O ATOM 1097 CB LYS A 71 12.800 -4.171 -17.726 1.00 0.00 C ATOM 1098 CG LYS A 71 12.819 -4.954 -19.028 1.00 0.00 C ATOM 1099 CD LYS A 71 12.136 -6.303 -18.877 1.00 0.00 C ATOM 1100 CE LYS A 71 11.708 -6.864 -20.225 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.520 -6.151 -20.771 1.00 0.00 N ATOM 0 H LYS A 71 13.999 -2.256 -19.669 1.00 0.00 H new ATOM 0 HA LYS A 71 12.060 -2.306 -18.499 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.621 -4.511 -17.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.876 -4.392 -17.192 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.320 -4.378 -19.807 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.850 -5.101 -19.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.814 -7.003 -18.389 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.264 -6.201 -18.231 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.535 -6.785 -20.930 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.479 -7.925 -20.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.127 -6.692 -21.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.799 -6.057 -20.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.803 -5.206 -21.100 1.00 0.00 H new ATOM 1115 N LYS A 72 13.059 -0.639 -16.582 1.00 0.00 N ATOM 1116 CA LYS A 72 13.062 0.149 -15.355 1.00 0.00 C ATOM 1117 C LYS A 72 11.721 0.848 -15.155 1.00 0.00 C ATOM 1118 O LYS A 72 11.278 1.619 -16.006 1.00 0.00 O ATOM 1119 CB LYS A 72 14.189 1.183 -15.392 1.00 0.00 C ATOM 1120 CG LYS A 72 14.665 1.612 -14.015 1.00 0.00 C ATOM 1121 CD LYS A 72 16.018 2.301 -14.082 1.00 0.00 C ATOM 1122 CE LYS A 72 16.370 2.969 -12.762 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.697 3.642 -12.817 1.00 0.00 N ATOM 0 H LYS A 72 13.188 -0.093 -17.434 1.00 0.00 H new ATOM 0 HA LYS A 72 13.227 -0.528 -14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.032 0.770 -15.946 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.847 2.061 -15.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.934 2.287 -13.570 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.731 0.740 -13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.786 1.572 -14.338 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.009 3.047 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.602 3.700 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.374 2.223 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.900 4.085 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.433 2.940 -13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.686 4.372 -13.558 1.00 0.00 H new ATOM 1137 N LYS A 73 11.080 0.576 -14.023 1.00 0.00 N ATOM 1138 CA LYS A 73 9.792 1.181 -13.709 1.00 0.00 C ATOM 1139 C LYS A 73 9.968 2.618 -13.229 1.00 0.00 C ATOM 1140 O LYS A 73 10.821 2.902 -12.388 1.00 0.00 O ATOM 1141 CB LYS A 73 9.067 0.360 -12.639 1.00 0.00 C ATOM 1142 CG LYS A 73 8.465 -0.930 -13.167 1.00 0.00 C ATOM 1143 CD LYS A 73 8.264 -1.947 -12.056 1.00 0.00 C ATOM 1144 CE LYS A 73 6.935 -1.741 -11.346 1.00 0.00 C ATOM 1145 NZ LYS A 73 5.782 -2.147 -12.197 1.00 0.00 N ATOM 0 H LYS A 73 11.432 -0.060 -13.308 1.00 0.00 H new ATOM 0 HA LYS A 73 9.192 1.191 -14.619 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.767 0.123 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.275 0.968 -12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.508 -0.718 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.117 -1.350 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.304 -2.954 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.079 -1.867 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.924 -2.318 -10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.830 -0.692 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.937 -2.268 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.601 -1.412 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.001 -3.045 -12.673 1.00 0.00 H new ATOM 1159 N TYR A 74 9.155 3.520 -13.768 1.00 0.00 N ATOM 1160 CA TYR A 74 9.223 4.928 -13.395 1.00 0.00 C ATOM 1161 C TYR A 74 7.845 5.454 -13.002 1.00 0.00 C ATOM 1162 O TYR A 74 6.857 5.221 -13.698 1.00 0.00 O ATOM 1163 CB TYR A 74 9.786 5.757 -14.551 1.00 0.00 C ATOM 1164 CG TYR A 74 11.297 5.804 -14.582 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.030 4.797 -15.199 1.00 0.00 C ATOM 1166 CD2 TYR A 74 11.992 6.853 -13.993 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.411 4.835 -15.229 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.373 6.899 -14.020 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.077 5.888 -14.639 1.00 0.00 C ATOM 1170 OH TYR A 74 15.452 5.930 -14.667 1.00 0.00 O ATOM 0 H TYR A 74 8.442 3.302 -14.464 1.00 0.00 H new ATOM 0 HA TYR A 74 9.886 5.018 -12.535 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.424 5.345 -15.493 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.400 6.774 -14.479 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.511 3.971 -15.663 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.444 7.646 -13.506 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.966 4.044 -15.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.898 7.722 -13.559 1.00 0.00 H new ATOM 0 HH TYR A 74 15.792 5.168 -15.181 1.00 0.00 H new ATOM 1180 N SER A 75 7.789 6.166 -11.881 1.00 0.00 N ATOM 1181 CA SER A 75 6.533 6.723 -11.392 1.00 0.00 C ATOM 1182 C SER A 75 5.942 7.701 -12.403 1.00 0.00 C ATOM 1183 O SER A 75 4.758 7.629 -12.733 1.00 0.00 O ATOM 1184 CB SER A 75 6.752 7.428 -10.051 1.00 0.00 C ATOM 1185 OG SER A 75 5.560 8.049 -9.602 1.00 0.00 O ATOM 0 H SER A 75 8.598 6.371 -11.295 1.00 0.00 H new ATOM 0 HA SER A 75 5.829 5.902 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.092 6.706 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.539 8.175 -10.153 1.00 0.00 H new ATOM 0 HG SER A 75 5.485 8.941 -10.002 1.00 0.00 H new ATOM 1191 N ASP A 76 6.775 8.614 -12.890 1.00 0.00 N ATOM 1192 CA ASP A 76 6.337 9.606 -13.865 1.00 0.00 C ATOM 1193 C ASP A 76 7.117 9.469 -15.168 1.00 0.00 C ATOM 1194 O ASP A 76 8.321 9.722 -15.213 1.00 0.00 O ATOM 1195 CB ASP A 76 6.507 11.017 -13.300 1.00 0.00 C ATOM 1196 CG ASP A 76 5.519 11.319 -12.191 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.700 10.791 -11.074 1.00 0.00 O ATOM 1198 OD2 ASP A 76 4.563 12.084 -12.439 1.00 0.00 O ATOM 0 H ASP A 76 7.757 8.688 -12.626 1.00 0.00 H new ATOM 0 HA ASP A 76 5.282 9.432 -14.075 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.522 11.133 -12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.382 11.744 -14.102 1.00 0.00 H new ATOM 1203 N VAL A 77 6.424 9.066 -16.228 1.00 0.00 N ATOM 1204 CA VAL A 77 7.051 8.895 -17.533 1.00 0.00 C ATOM 1205 C VAL A 77 8.058 10.006 -17.808 1.00 0.00 C ATOM 1206 O VAL A 77 9.180 9.748 -18.246 1.00 0.00 O ATOM 1207 CB VAL A 77 6.004 8.875 -18.662 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.201 10.167 -18.668 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.675 8.649 -20.008 1.00 0.00 C ATOM 0 H VAL A 77 5.427 8.852 -16.208 1.00 0.00 H new ATOM 0 HA VAL A 77 7.568 7.936 -17.512 1.00 0.00 H new ATOM 0 HB VAL A 77 5.317 8.048 -18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.466 10.135 -19.472 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.689 10.281 -17.713 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.872 11.012 -18.823 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.920 8.638 -20.794 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.386 9.453 -20.200 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.201 7.694 -19.997 1.00 0.00 H new ATOM 1219 N LYS A 78 7.651 11.244 -17.548 1.00 0.00 N ATOM 1220 CA LYS A 78 8.517 12.396 -17.766 1.00 0.00 C ATOM 1221 C LYS A 78 9.968 12.055 -17.441 1.00 0.00 C ATOM 1222 O LYS A 78 10.879 12.399 -18.193 1.00 0.00 O ATOM 1223 CB LYS A 78 8.055 13.576 -16.908 1.00 0.00 C ATOM 1224 CG LYS A 78 8.329 13.395 -15.425 1.00 0.00 C ATOM 1225 CD LYS A 78 7.534 14.381 -14.586 1.00 0.00 C ATOM 1226 CE LYS A 78 8.314 15.666 -14.350 1.00 0.00 C ATOM 1227 NZ LYS A 78 7.415 16.809 -14.031 1.00 0.00 N ATOM 0 H LYS A 78 6.726 11.475 -17.186 1.00 0.00 H new ATOM 0 HA LYS A 78 8.454 12.673 -18.818 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.553 14.482 -17.253 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.985 13.725 -17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.076 12.377 -15.129 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.394 13.527 -15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.594 14.611 -15.087 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.282 13.926 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.018 15.518 -13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.902 15.902 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.984 17.666 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.759 16.966 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.873 16.594 -13.170 1.00 0.00 H new ATOM 1241 N ASN A 79 10.174 11.377 -16.317 1.00 0.00 N ATOM 1242 CA ASN A 79 11.515 10.989 -15.893 1.00 0.00 C ATOM 1243 C ASN A 79 12.106 9.951 -16.842 1.00 0.00 C ATOM 1244 O ASN A 79 13.246 10.081 -17.291 1.00 0.00 O ATOM 1245 CB ASN A 79 11.481 10.433 -14.468 1.00 0.00 C ATOM 1246 CG ASN A 79 10.462 11.140 -13.596 1.00 0.00 C ATOM 1247 OD1 ASN A 79 9.657 10.500 -12.919 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.493 12.467 -13.608 1.00 0.00 N ATOM 0 H ASN A 79 9.430 11.085 -15.683 1.00 0.00 H new ATOM 0 HA ASN A 79 12.147 11.877 -15.914 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.250 9.368 -14.502 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.469 10.531 -14.019 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.832 12.998 -13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.178 12.956 -14.185 1.00 0.00 H new ATOM 1255 N LEU A 80 11.324 8.920 -17.145 1.00 0.00 N ATOM 1256 CA LEU A 80 11.769 7.859 -18.041 1.00 0.00 C ATOM 1257 C LEU A 80 12.401 8.441 -19.302 1.00 0.00 C ATOM 1258 O LEU A 80 13.423 7.947 -19.779 1.00 0.00 O ATOM 1259 CB LEU A 80 10.593 6.956 -18.417 1.00 0.00 C ATOM 1260 CG LEU A 80 10.921 5.768 -19.322 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.801 4.766 -18.590 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.644 5.101 -19.812 1.00 0.00 C ATOM 0 H LEU A 80 10.378 8.797 -16.783 1.00 0.00 H new ATOM 0 HA LEU A 80 12.521 7.268 -17.519 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.146 6.575 -17.499 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.836 7.565 -18.911 1.00 0.00 H new ATOM 0 HG LEU A 80 11.469 6.137 -20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.024 3.927 -19.250 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.731 5.249 -18.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.279 4.402 -17.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.897 4.258 -20.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.068 4.746 -18.957 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.051 5.821 -20.375 1.00 0.00 H new ATOM 1274 N ILE A 81 11.788 9.493 -19.834 1.00 0.00 N ATOM 1275 CA ILE A 81 12.293 10.143 -21.036 1.00 0.00 C ATOM 1276 C ILE A 81 13.751 10.557 -20.866 1.00 0.00 C ATOM 1277 O ILE A 81 14.617 10.156 -21.644 1.00 0.00 O ATOM 1278 CB ILE A 81 11.458 11.385 -21.398 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.985 11.006 -21.563 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.990 12.030 -22.669 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.744 9.975 -22.644 1.00 0.00 C ATOM 0 H ILE A 81 10.941 9.913 -19.451 1.00 0.00 H new ATOM 0 HA ILE A 81 12.216 9.415 -21.844 1.00 0.00 H new ATOM 0 HB ILE A 81 11.539 12.108 -20.586 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.609 10.622 -20.615 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.411 11.903 -21.793 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.389 12.906 -22.911 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.027 12.331 -22.518 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.936 11.315 -23.490 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.678 9.754 -22.705 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.090 10.364 -23.602 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.290 9.063 -22.405 1.00 0.00 H new ATOM 1293 N LYS A 82 14.017 11.361 -19.842 1.00 0.00 N ATOM 1294 CA LYS A 82 15.370 11.828 -19.566 1.00 0.00 C ATOM 1295 C LYS A 82 16.304 10.654 -19.288 1.00 0.00 C ATOM 1296 O LYS A 82 17.408 10.584 -19.830 1.00 0.00 O ATOM 1297 CB LYS A 82 15.368 12.785 -18.373 1.00 0.00 C ATOM 1298 CG LYS A 82 16.572 13.710 -18.332 1.00 0.00 C ATOM 1299 CD LYS A 82 16.644 14.475 -17.021 1.00 0.00 C ATOM 1300 CE LYS A 82 17.171 13.601 -15.894 1.00 0.00 C ATOM 1301 NZ LYS A 82 17.259 14.347 -14.608 1.00 0.00 N ATOM 0 H LYS A 82 13.312 11.703 -19.189 1.00 0.00 H new ATOM 0 HA LYS A 82 15.732 12.357 -20.447 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.459 13.386 -18.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.336 12.203 -17.452 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.484 13.128 -18.465 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.519 14.414 -19.163 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.290 15.345 -17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.653 14.848 -16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.518 12.737 -15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.157 13.220 -16.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.622 13.716 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.902 15.157 -14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.314 14.689 -14.340 1.00 0.00 H new ATOM 1315 N HIS A 83 15.855 9.734 -18.441 1.00 0.00 N ATOM 1316 CA HIS A 83 16.650 8.562 -18.093 1.00 0.00 C ATOM 1317 C HIS A 83 17.219 7.900 -19.345 1.00 0.00 C ATOM 1318 O HIS A 83 18.407 7.580 -19.404 1.00 0.00 O ATOM 1319 CB HIS A 83 15.803 7.557 -17.312 1.00 0.00 C ATOM 1320 CG HIS A 83 16.262 6.140 -17.463 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.359 5.630 -16.800 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.766 5.122 -18.204 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.518 4.361 -17.130 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.564 4.028 -17.980 1.00 0.00 N ATOM 0 H HIS A 83 14.945 9.777 -17.983 1.00 0.00 H new ATOM 0 HA HIS A 83 17.480 8.890 -17.467 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.819 7.825 -16.255 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.767 7.632 -17.644 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.954 6.151 -16.156 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.903 5.163 -18.851 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.296 3.707 -16.766 1.00 0.00 H new ATOM 1332 N ILE A 84 16.364 7.697 -20.342 1.00 0.00 N ATOM 1333 CA ILE A 84 16.782 7.074 -21.591 1.00 0.00 C ATOM 1334 C ILE A 84 17.829 7.922 -22.305 1.00 0.00 C ATOM 1335 O ILE A 84 18.888 7.425 -22.688 1.00 0.00 O ATOM 1336 CB ILE A 84 15.587 6.851 -22.537 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.595 5.865 -21.916 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.068 6.347 -23.889 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.284 5.774 -22.666 1.00 0.00 C ATOM 0 H ILE A 84 15.378 7.955 -20.309 1.00 0.00 H new ATOM 0 HA ILE A 84 17.215 6.108 -21.332 1.00 0.00 H new ATOM 0 HB ILE A 84 15.078 7.803 -22.687 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.053 4.876 -21.879 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.396 6.163 -20.887 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.212 6.194 -24.546 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.740 7.082 -24.333 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.598 5.403 -23.758 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.630 5.057 -22.170 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.805 6.753 -22.681 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.472 5.447 -23.689 1.00 0.00 H new ATOM 1351 N ARG A 85 17.526 9.204 -22.479 1.00 0.00 N ATOM 1352 CA ARG A 85 18.441 10.122 -23.146 1.00 0.00 C ATOM 1353 C ARG A 85 19.765 10.213 -22.392 1.00 0.00 C ATOM 1354 O ARG A 85 20.790 10.592 -22.961 1.00 0.00 O ATOM 1355 CB ARG A 85 17.811 11.511 -23.261 1.00 0.00 C ATOM 1356 CG ARG A 85 16.475 11.515 -23.985 1.00 0.00 C ATOM 1357 CD ARG A 85 15.804 12.878 -23.908 1.00 0.00 C ATOM 1358 NE ARG A 85 16.573 13.907 -24.603 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.171 15.167 -24.726 1.00 0.00 C ATOM 1360 NH1 ARG A 85 15.015 15.552 -24.204 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.927 16.045 -25.373 1.00 0.00 N ATOM 0 H ARG A 85 16.654 9.631 -22.167 1.00 0.00 H new ATOM 0 HA ARG A 85 18.638 9.736 -24.146 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.674 11.923 -22.261 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.501 12.172 -23.786 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.625 11.240 -25.029 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.821 10.761 -23.548 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.806 12.816 -24.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.680 13.162 -22.863 1.00 0.00 H new ATOM 0 HE ARG A 85 17.468 13.644 -25.016 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.431 14.880 -23.706 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.709 16.520 -24.300 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.817 15.752 -25.776 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.618 17.012 -25.467 1.00 0.00 H new ATOM 1375 N ASP A 86 19.735 9.864 -21.111 1.00 0.00 N ATOM 1376 CA ASP A 86 20.933 9.906 -20.279 1.00 0.00 C ATOM 1377 C ASP A 86 21.693 8.585 -20.355 1.00 0.00 C ATOM 1378 O ASP A 86 22.809 8.529 -20.870 1.00 0.00 O ATOM 1379 CB ASP A 86 20.561 10.213 -18.828 1.00 0.00 C ATOM 1380 CG ASP A 86 20.397 11.698 -18.574 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.259 12.477 -19.031 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.406 12.082 -17.918 1.00 0.00 O ATOM 0 H ASP A 86 18.895 9.549 -20.626 1.00 0.00 H new ATOM 0 HA ASP A 86 21.580 10.699 -20.655 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.632 9.700 -18.578 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.332 9.817 -18.167 1.00 0.00 H new ATOM 1387 N ALA A 87 21.081 7.526 -19.836 1.00 0.00 N ATOM 1388 CA ALA A 87 21.700 6.206 -19.845 1.00 0.00 C ATOM 1389 C ALA A 87 21.746 5.631 -21.257 1.00 0.00 C ATOM 1390 O ALA A 87 22.800 5.208 -21.732 1.00 0.00 O ATOM 1391 CB ALA A 87 20.949 5.265 -18.914 1.00 0.00 C ATOM 0 H ALA A 87 20.157 7.556 -19.404 1.00 0.00 H new ATOM 0 HA ALA A 87 22.725 6.310 -19.490 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.422 4.283 -18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.972 5.662 -17.899 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.914 5.175 -19.245 1.00 0.00 H new ATOM 1397 N HIS A 88 20.596 5.618 -21.923 1.00 0.00 N ATOM 1398 CA HIS A 88 20.505 5.094 -23.281 1.00 0.00 C ATOM 1399 C HIS A 88 20.468 6.230 -24.300 1.00 0.00 C ATOM 1400 O HIS A 88 19.696 6.193 -25.258 1.00 0.00 O ATOM 1401 CB HIS A 88 19.261 4.219 -23.431 1.00 0.00 C ATOM 1402 CG HIS A 88 19.010 3.327 -22.254 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.790 2.227 -21.964 1.00 0.00 N ATOM 1404 CD2 HIS A 88 18.061 3.379 -21.291 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.330 1.640 -20.874 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.281 2.320 -20.445 1.00 0.00 N ATOM 0 H HIS A 88 19.714 5.964 -21.545 1.00 0.00 H new ATOM 0 HA HIS A 88 21.391 4.488 -23.470 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.392 4.860 -23.582 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.364 3.605 -24.326 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.596 1.916 -22.506 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.277 4.116 -21.204 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.741 0.755 -20.412 1.00 0.00 H new ATOM 1414 N ASP A 89 21.308 7.237 -24.086 1.00 0.00 N ATOM 1415 CA ASP A 89 21.371 8.383 -24.986 1.00 0.00 C ATOM 1416 C ASP A 89 21.401 7.930 -26.442 1.00 0.00 C ATOM 1417 O ASP A 89 22.190 7.070 -26.834 1.00 0.00 O ATOM 1418 CB ASP A 89 22.606 9.232 -24.677 1.00 0.00 C ATOM 1419 CG ASP A 89 23.898 8.533 -25.053 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.209 7.492 -24.438 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.596 9.027 -25.962 1.00 0.00 O ATOM 0 H ASP A 89 21.954 7.283 -23.298 1.00 0.00 H new ATOM 0 HA ASP A 89 20.476 8.986 -24.831 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.538 10.177 -25.216 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.622 9.471 -23.614 1.00 0.00 H new ATOM 1426 N PRO A 90 20.521 8.521 -27.264 1.00 0.00 N ATOM 1427 CA PRO A 90 20.426 8.193 -28.689 1.00 0.00 C ATOM 1428 C PRO A 90 21.637 8.680 -29.478 1.00 0.00 C ATOM 1429 O PRO A 90 22.560 9.267 -28.914 1.00 0.00 O ATOM 1430 CB PRO A 90 19.163 8.932 -29.140 1.00 0.00 C ATOM 1431 CG PRO A 90 19.021 10.060 -28.178 1.00 0.00 C ATOM 1432 CD PRO A 90 19.551 9.554 -26.864 1.00 0.00 C ATOM 0 HA PRO A 90 20.390 7.117 -28.858 1.00 0.00 H new ATOM 0 HB2 PRO A 90 19.260 9.294 -30.163 1.00 0.00 H new ATOM 0 HB3 PRO A 90 18.291 8.278 -29.115 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.581 10.933 -28.515 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.979 10.366 -28.087 1.00 0.00 H new ATOM 0 HD2 PRO A 90 20.025 10.349 -26.289 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.757 9.141 -26.242 1.00 0.00 H new ATOM 1440 N GLN A 91 21.626 8.431 -30.783 1.00 0.00 N ATOM 1441 CA GLN A 91 22.724 8.844 -31.648 1.00 0.00 C ATOM 1442 C GLN A 91 24.024 8.158 -31.243 1.00 0.00 C ATOM 1443 O GLN A 91 25.084 8.784 -31.208 1.00 0.00 O ATOM 1444 CB GLN A 91 22.898 10.363 -31.597 1.00 0.00 C ATOM 1445 CG GLN A 91 21.754 11.129 -32.241 1.00 0.00 C ATOM 1446 CD GLN A 91 21.530 10.736 -33.688 1.00 0.00 C ATOM 1447 OE1 GLN A 91 20.916 9.709 -33.977 1.00 0.00 O ATOM 1448 NE2 GLN A 91 22.029 11.555 -34.608 1.00 0.00 N ATOM 0 H GLN A 91 20.869 7.945 -31.264 1.00 0.00 H new ATOM 0 HA GLN A 91 22.480 8.547 -32.668 1.00 0.00 H new ATOM 0 HB2 GLN A 91 22.993 10.675 -30.557 1.00 0.00 H new ATOM 0 HB3 GLN A 91 23.829 10.630 -32.096 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.839 10.953 -31.675 1.00 0.00 H new ATOM 0 HG3 GLN A 91 21.961 12.198 -32.187 1.00 0.00 H new ATOM 0 HE21 GLN A 91 22.531 12.396 -34.324 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.910 11.343 -35.598 1.00 0.00 H new ATOM 1457 N ASP A 92 23.936 6.868 -30.936 1.00 0.00 N ATOM 1458 CA ASP A 92 25.106 6.096 -30.533 1.00 0.00 C ATOM 1459 C ASP A 92 25.978 5.762 -31.739 1.00 0.00 C ATOM 1460 O ASP A 92 26.729 4.789 -31.688 1.00 0.00 O ATOM 1461 CB ASP A 92 24.675 4.810 -29.827 1.00 0.00 C ATOM 1462 CG ASP A 92 23.760 5.075 -28.647 1.00 0.00 C ATOM 1463 OD1 ASP A 92 24.275 5.428 -27.565 1.00 0.00 O ATOM 1464 OD2 ASP A 92 22.530 4.930 -28.806 1.00 0.00 O ATOM 0 H ASP A 92 23.067 6.335 -30.959 1.00 0.00 H new ATOM 0 HA ASP A 92 25.691 6.702 -29.842 1.00 0.00 H new ATOM 0 HB2 ASP A 92 24.165 4.161 -30.539 1.00 0.00 H new ATOM 0 HB3 ASP A 92 25.560 4.274 -29.484 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -6.362 6.268 -39.922 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -5.113 7.546 -23.303 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.723 2.350 -19.238 1.00 0.00 ZN