USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.713 K(o=-0.71,f=0.18) USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= -0.3 USER MOD Set 2.2: A 19 SER OG : rot -86:sc= -2.31 USER MOD Set 2.3: A 24 ASN : amide:sc= -1.06 K(o=-3.7,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0907 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0.944 (180deg=0.873) USER MOD Single : A 14 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.4) USER MOD Single : A 16 SER OG : rot -54:sc= 0.0507 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.95) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -98:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0845 USER MOD Single : A 48 SER OG : rot 41:sc= 1.06 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.053) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0103 (180deg=-0.498) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0127 (180deg=-0.161) USER MOD Single : A 62 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 66 HIS : no HD1:sc= -1.42! C(o=-1.4!,f=-0.96!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -3.14! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.01) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.368 -55.676 -32.269 1.00 0.00 N ATOM 2 CA GLY A 1 -6.122 -54.520 -31.820 1.00 0.00 C ATOM 3 C GLY A 1 -7.090 -54.014 -32.871 1.00 0.00 C ATOM 4 O GLY A 1 -7.094 -54.497 -34.004 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.596 -56.494 -31.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.617 -55.891 -33.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.350 -55.473 -32.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.674 -54.779 -30.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.431 -53.721 -31.553 1.00 0.00 H new ATOM 8 N SER A 2 -7.913 -53.040 -32.496 1.00 0.00 N ATOM 9 CA SER A 2 -8.893 -52.472 -33.414 1.00 0.00 C ATOM 10 C SER A 2 -8.351 -51.209 -34.074 1.00 0.00 C ATOM 11 O SER A 2 -7.255 -50.749 -33.754 1.00 0.00 O ATOM 12 CB SER A 2 -10.194 -52.156 -32.672 1.00 0.00 C ATOM 13 OG SER A 2 -10.792 -53.336 -32.164 1.00 0.00 O ATOM 0 H SER A 2 -7.921 -52.628 -31.563 1.00 0.00 H new ATOM 0 HA SER A 2 -9.096 -53.208 -34.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.991 -51.466 -31.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.888 -51.654 -33.346 1.00 0.00 H new ATOM 0 HG SER A 2 -11.620 -53.106 -31.693 1.00 0.00 H new ATOM 19 N SER A 3 -9.127 -50.653 -34.999 1.00 0.00 N ATOM 20 CA SER A 3 -8.723 -49.444 -35.709 1.00 0.00 C ATOM 21 C SER A 3 -8.236 -48.378 -34.733 1.00 0.00 C ATOM 22 O SER A 3 -8.703 -48.299 -33.598 1.00 0.00 O ATOM 23 CB SER A 3 -9.890 -48.900 -36.536 1.00 0.00 C ATOM 24 OG SER A 3 -9.424 -48.129 -37.630 1.00 0.00 O ATOM 0 H SER A 3 -10.038 -51.020 -35.274 1.00 0.00 H new ATOM 0 HA SER A 3 -7.902 -49.702 -36.378 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.497 -49.728 -36.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.534 -48.288 -35.904 1.00 0.00 H new ATOM 0 HG SER A 3 -10.189 -47.794 -38.144 1.00 0.00 H new ATOM 30 N GLY A 4 -7.291 -47.559 -35.185 1.00 0.00 N ATOM 31 CA GLY A 4 -6.754 -46.508 -34.340 1.00 0.00 C ATOM 32 C GLY A 4 -5.794 -45.600 -35.083 1.00 0.00 C ATOM 33 O GLY A 4 -4.588 -45.624 -34.834 1.00 0.00 O ATOM 0 H GLY A 4 -6.888 -47.605 -36.121 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.575 -45.913 -33.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.240 -46.957 -33.490 1.00 0.00 H new ATOM 37 N SER A 5 -6.328 -44.799 -35.999 1.00 0.00 N ATOM 38 CA SER A 5 -5.509 -43.884 -36.785 1.00 0.00 C ATOM 39 C SER A 5 -5.684 -42.447 -36.302 1.00 0.00 C ATOM 40 O SER A 5 -6.451 -41.676 -36.879 1.00 0.00 O ATOM 41 CB SER A 5 -5.874 -43.984 -38.268 1.00 0.00 C ATOM 42 OG SER A 5 -4.938 -43.287 -39.072 1.00 0.00 O ATOM 0 H SER A 5 -7.324 -44.765 -36.215 1.00 0.00 H new ATOM 0 HA SER A 5 -4.465 -44.168 -36.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.907 -45.031 -38.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.872 -43.575 -38.429 1.00 0.00 H new ATOM 0 HG SER A 5 -5.193 -43.367 -40.015 1.00 0.00 H new ATOM 48 N SER A 6 -4.968 -42.096 -35.239 1.00 0.00 N ATOM 49 CA SER A 6 -5.046 -40.753 -34.675 1.00 0.00 C ATOM 50 C SER A 6 -3.730 -40.005 -34.868 1.00 0.00 C ATOM 51 O SER A 6 -2.928 -39.889 -33.943 1.00 0.00 O ATOM 52 CB SER A 6 -5.393 -40.822 -33.186 1.00 0.00 C ATOM 53 OG SER A 6 -6.666 -41.412 -32.986 1.00 0.00 O ATOM 0 H SER A 6 -4.328 -42.722 -34.751 1.00 0.00 H new ATOM 0 HA SER A 6 -5.832 -40.210 -35.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.634 -41.400 -32.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.383 -39.819 -32.760 1.00 0.00 H new ATOM 0 HG SER A 6 -6.864 -41.446 -32.027 1.00 0.00 H new ATOM 59 N GLY A 7 -3.516 -39.500 -36.079 1.00 0.00 N ATOM 60 CA GLY A 7 -2.297 -38.769 -36.373 1.00 0.00 C ATOM 61 C GLY A 7 -2.383 -37.311 -35.967 1.00 0.00 C ATOM 62 O GLY A 7 -2.651 -36.996 -34.808 1.00 0.00 O ATOM 0 H GLY A 7 -4.165 -39.584 -36.862 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.461 -39.239 -35.854 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.087 -38.834 -37.441 1.00 0.00 H new ATOM 66 N LYS A 8 -2.152 -36.418 -36.924 1.00 0.00 N ATOM 67 CA LYS A 8 -2.204 -34.985 -36.661 1.00 0.00 C ATOM 68 C LYS A 8 -1.383 -34.628 -35.426 1.00 0.00 C ATOM 69 O LYS A 8 -1.871 -34.000 -34.486 1.00 0.00 O ATOM 70 CB LYS A 8 -3.653 -34.532 -36.471 1.00 0.00 C ATOM 71 CG LYS A 8 -4.393 -34.296 -37.777 1.00 0.00 C ATOM 72 CD LYS A 8 -5.879 -34.084 -37.545 1.00 0.00 C ATOM 73 CE LYS A 8 -6.676 -34.279 -38.826 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.112 -33.928 -38.645 1.00 0.00 N ATOM 0 H LYS A 8 -1.927 -36.662 -37.889 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.778 -34.468 -37.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.187 -35.285 -35.891 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.664 -33.612 -35.886 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.975 -33.425 -38.281 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.245 -35.149 -38.439 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.233 -34.781 -36.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.048 -33.079 -37.159 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.248 -33.663 -39.617 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.594 -35.316 -39.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.621 -34.074 -39.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.527 -34.533 -37.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.192 -32.931 -38.360 1.00 0.00 H new ATOM 88 N PRO A 9 -0.105 -35.036 -35.426 1.00 0.00 N ATOM 89 CA PRO A 9 0.811 -34.768 -34.313 1.00 0.00 C ATOM 90 C PRO A 9 1.180 -33.292 -34.207 1.00 0.00 C ATOM 91 O PRO A 9 1.368 -32.767 -33.110 1.00 0.00 O ATOM 92 CB PRO A 9 2.046 -35.604 -34.661 1.00 0.00 C ATOM 93 CG PRO A 9 2.002 -35.746 -36.144 1.00 0.00 C ATOM 94 CD PRO A 9 0.544 -35.789 -36.512 1.00 0.00 C ATOM 0 HA PRO A 9 0.366 -35.019 -33.350 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.962 -35.110 -34.338 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.017 -36.576 -34.169 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.503 -34.910 -36.631 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.513 -36.654 -36.465 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.361 -35.330 -37.484 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.174 -36.813 -36.568 1.00 0.00 H new ATOM 102 N TYR A 10 1.280 -32.629 -35.354 1.00 0.00 N ATOM 103 CA TYR A 10 1.628 -31.214 -35.390 1.00 0.00 C ATOM 104 C TYR A 10 0.457 -30.353 -34.925 1.00 0.00 C ATOM 105 O TYR A 10 -0.609 -30.349 -35.541 1.00 0.00 O ATOM 106 CB TYR A 10 2.046 -30.806 -36.803 1.00 0.00 C ATOM 107 CG TYR A 10 3.228 -31.585 -37.334 1.00 0.00 C ATOM 108 CD1 TYR A 10 3.069 -32.871 -37.834 1.00 0.00 C ATOM 109 CD2 TYR A 10 4.504 -31.035 -37.335 1.00 0.00 C ATOM 110 CE1 TYR A 10 4.147 -33.588 -38.319 1.00 0.00 C ATOM 111 CE2 TYR A 10 5.587 -31.743 -37.819 1.00 0.00 C ATOM 112 CZ TYR A 10 5.403 -33.019 -38.310 1.00 0.00 C ATOM 113 OH TYR A 10 6.479 -33.728 -38.792 1.00 0.00 O ATOM 0 H TYR A 10 1.125 -33.049 -36.271 1.00 0.00 H new ATOM 0 HA TYR A 10 2.465 -31.054 -34.710 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.200 -30.942 -37.477 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.290 -29.744 -36.808 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.086 -33.319 -37.844 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.652 -30.037 -36.951 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.006 -34.588 -38.703 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.572 -31.300 -37.813 1.00 0.00 H new ATOM 0 HH TYR A 10 7.290 -33.184 -38.715 1.00 0.00 H new ATOM 123 N LYS A 11 0.664 -29.624 -33.834 1.00 0.00 N ATOM 124 CA LYS A 11 -0.371 -28.756 -33.285 1.00 0.00 C ATOM 125 C LYS A 11 0.025 -27.289 -33.411 1.00 0.00 C ATOM 126 O LYS A 11 1.206 -26.946 -33.339 1.00 0.00 O ATOM 127 CB LYS A 11 -0.629 -29.102 -31.817 1.00 0.00 C ATOM 128 CG LYS A 11 -1.709 -30.152 -31.620 1.00 0.00 C ATOM 129 CD LYS A 11 -1.135 -31.558 -31.676 1.00 0.00 C ATOM 130 CE LYS A 11 -2.075 -32.570 -31.038 1.00 0.00 C ATOM 131 NZ LYS A 11 -3.073 -33.092 -32.012 1.00 0.00 N ATOM 0 H LYS A 11 1.540 -29.617 -33.312 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.285 -28.917 -33.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.298 -29.458 -31.368 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.914 -28.195 -31.283 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.199 -29.996 -30.659 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.473 -30.039 -32.389 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.950 -31.836 -32.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.173 -31.580 -31.164 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.495 -33.399 -30.633 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.594 -32.105 -30.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.582 -33.895 -31.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.751 -32.340 -32.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.585 -33.405 -32.875 1.00 0.00 H new ATOM 145 N CYS A 12 -0.968 -26.426 -33.597 1.00 0.00 N ATOM 146 CA CYS A 12 -0.724 -24.995 -33.732 1.00 0.00 C ATOM 147 C CYS A 12 -0.556 -24.341 -32.363 1.00 0.00 C ATOM 148 O CYS A 12 -1.442 -24.394 -31.509 1.00 0.00 O ATOM 149 CB CYS A 12 -1.873 -24.329 -34.490 1.00 0.00 C ATOM 150 SG CYS A 12 -1.535 -22.612 -34.996 1.00 0.00 S ATOM 0 H CYS A 12 -1.950 -26.693 -33.658 1.00 0.00 H new ATOM 0 HA CYS A 12 0.199 -24.861 -34.296 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.099 -24.920 -35.378 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.764 -24.343 -33.862 1.00 0.00 H new ATOM 155 N PRO A 13 0.607 -23.708 -32.149 1.00 0.00 N ATOM 156 CA PRO A 13 0.918 -23.030 -30.886 1.00 0.00 C ATOM 157 C PRO A 13 0.083 -21.771 -30.683 1.00 0.00 C ATOM 158 O PRO A 13 0.179 -21.112 -29.648 1.00 0.00 O ATOM 159 CB PRO A 13 2.399 -22.672 -31.032 1.00 0.00 C ATOM 160 CG PRO A 13 2.626 -22.588 -32.502 1.00 0.00 C ATOM 161 CD PRO A 13 1.707 -23.605 -33.122 1.00 0.00 C ATOM 0 HA PRO A 13 0.700 -23.657 -30.022 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.628 -21.726 -30.542 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.036 -23.430 -30.576 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.408 -21.587 -32.874 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.666 -22.800 -32.749 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.350 -23.281 -34.100 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.207 -24.563 -33.267 1.00 0.00 H new ATOM 169 N GLN A 14 -0.737 -21.443 -31.677 1.00 0.00 N ATOM 170 CA GLN A 14 -1.589 -20.262 -31.606 1.00 0.00 C ATOM 171 C GLN A 14 -3.051 -20.656 -31.421 1.00 0.00 C ATOM 172 O GLN A 14 -3.801 -19.984 -30.713 1.00 0.00 O ATOM 173 CB GLN A 14 -1.432 -19.417 -32.871 1.00 0.00 C ATOM 174 CG GLN A 14 -0.005 -18.957 -33.122 1.00 0.00 C ATOM 175 CD GLN A 14 0.061 -17.657 -33.899 1.00 0.00 C ATOM 176 OE1 GLN A 14 -0.724 -16.738 -33.662 1.00 0.00 O ATOM 177 NE2 GLN A 14 1.000 -17.573 -34.834 1.00 0.00 N ATOM 0 H GLN A 14 -0.829 -21.978 -32.540 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.279 -19.672 -30.743 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.775 -19.995 -33.729 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.079 -18.543 -32.797 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.505 -18.831 -32.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.531 -19.731 -33.671 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.629 -18.359 -34.997 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.092 -16.722 -35.389 1.00 0.00 H new ATOM 186 N CYS A 15 -3.450 -21.749 -32.063 1.00 0.00 N ATOM 187 CA CYS A 15 -4.822 -22.232 -31.972 1.00 0.00 C ATOM 188 C CYS A 15 -4.855 -23.751 -31.828 1.00 0.00 C ATOM 189 O CYS A 15 -3.814 -24.397 -31.712 1.00 0.00 O ATOM 190 CB CYS A 15 -5.618 -21.809 -33.208 1.00 0.00 C ATOM 191 SG CYS A 15 -5.438 -22.933 -34.629 1.00 0.00 S ATOM 0 H CYS A 15 -2.842 -22.317 -32.652 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.278 -21.790 -31.086 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.673 -21.743 -32.942 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.301 -20.810 -33.506 1.00 0.00 H new ATOM 196 N SER A 16 -6.059 -24.315 -31.836 1.00 0.00 N ATOM 197 CA SER A 16 -6.229 -25.757 -31.703 1.00 0.00 C ATOM 198 C SER A 16 -6.190 -26.437 -33.068 1.00 0.00 C ATOM 199 O SER A 16 -6.909 -27.406 -33.312 1.00 0.00 O ATOM 200 CB SER A 16 -7.550 -26.073 -31.001 1.00 0.00 C ATOM 201 OG SER A 16 -7.536 -27.380 -30.452 1.00 0.00 O ATOM 0 H SER A 16 -6.931 -23.795 -31.933 1.00 0.00 H new ATOM 0 HA SER A 16 -5.405 -26.141 -31.102 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.728 -25.345 -30.210 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.373 -25.982 -31.710 1.00 0.00 H new ATOM 0 HG SER A 16 -7.302 -28.026 -31.151 1.00 0.00 H new ATOM 207 N TYR A 17 -5.345 -25.921 -33.955 1.00 0.00 N ATOM 208 CA TYR A 17 -5.213 -26.476 -35.297 1.00 0.00 C ATOM 209 C TYR A 17 -4.190 -27.607 -35.320 1.00 0.00 C ATOM 210 O TYR A 17 -3.217 -27.595 -34.568 1.00 0.00 O ATOM 211 CB TYR A 17 -4.804 -25.383 -36.285 1.00 0.00 C ATOM 212 CG TYR A 17 -4.309 -25.918 -37.610 1.00 0.00 C ATOM 213 CD1 TYR A 17 -2.966 -26.218 -37.802 1.00 0.00 C ATOM 214 CD2 TYR A 17 -5.185 -26.125 -38.668 1.00 0.00 C ATOM 215 CE1 TYR A 17 -2.510 -26.707 -39.011 1.00 0.00 C ATOM 216 CE2 TYR A 17 -4.737 -26.615 -39.880 1.00 0.00 C ATOM 217 CZ TYR A 17 -3.399 -26.904 -40.047 1.00 0.00 C ATOM 218 OH TYR A 17 -2.948 -27.392 -41.252 1.00 0.00 O ATOM 0 H TYR A 17 -4.742 -25.120 -33.769 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.181 -26.880 -35.593 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.657 -24.728 -36.463 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.022 -24.772 -35.834 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.267 -26.066 -36.993 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.234 -25.899 -38.541 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.463 -26.934 -39.144 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.431 -26.771 -40.692 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.701 -27.473 -41.874 1.00 0.00 H new ATOM 228 N ALA A 18 -4.419 -28.585 -36.191 1.00 0.00 N ATOM 229 CA ALA A 18 -3.517 -29.723 -36.316 1.00 0.00 C ATOM 230 C ALA A 18 -3.429 -30.197 -37.763 1.00 0.00 C ATOM 231 O ALA A 18 -4.340 -29.968 -38.558 1.00 0.00 O ATOM 232 CB ALA A 18 -3.973 -30.860 -35.413 1.00 0.00 C ATOM 0 H ALA A 18 -5.221 -28.612 -36.820 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.523 -29.403 -36.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.290 -31.703 -35.517 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.978 -30.522 -34.377 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.978 -31.170 -35.698 1.00 0.00 H new ATOM 238 N SER A 19 -2.326 -30.859 -38.098 1.00 0.00 N ATOM 239 CA SER A 19 -2.117 -31.361 -39.451 1.00 0.00 C ATOM 240 C SER A 19 -1.114 -32.511 -39.454 1.00 0.00 C ATOM 241 O SER A 19 -0.134 -32.497 -38.709 1.00 0.00 O ATOM 242 CB SER A 19 -1.624 -30.237 -40.365 1.00 0.00 C ATOM 243 OG SER A 19 -1.881 -30.537 -41.726 1.00 0.00 O ATOM 0 H SER A 19 -1.563 -31.060 -37.451 1.00 0.00 H new ATOM 0 HA SER A 19 -3.071 -31.732 -39.826 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.117 -29.303 -40.096 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.554 -30.087 -40.218 1.00 0.00 H new ATOM 0 HG SER A 19 -1.145 -31.073 -42.087 1.00 0.00 H new ATOM 249 N ALA A 20 -1.366 -33.505 -40.299 1.00 0.00 N ATOM 250 CA ALA A 20 -0.485 -34.662 -40.402 1.00 0.00 C ATOM 251 C ALA A 20 0.687 -34.379 -41.335 1.00 0.00 C ATOM 252 O ALA A 20 1.258 -35.296 -41.926 1.00 0.00 O ATOM 253 CB ALA A 20 -1.264 -35.877 -40.884 1.00 0.00 C ATOM 0 H ALA A 20 -2.173 -33.532 -40.922 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.083 -34.871 -39.410 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.594 -36.734 -40.956 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.063 -36.100 -40.178 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.693 -35.669 -41.864 1.00 0.00 H new ATOM 259 N ILE A 21 1.039 -33.104 -41.464 1.00 0.00 N ATOM 260 CA ILE A 21 2.144 -32.701 -42.325 1.00 0.00 C ATOM 261 C ILE A 21 2.859 -31.476 -41.766 1.00 0.00 C ATOM 262 O ILE A 21 2.225 -30.556 -41.247 1.00 0.00 O ATOM 263 CB ILE A 21 1.659 -32.390 -43.754 1.00 0.00 C ATOM 264 CG1 ILE A 21 0.916 -33.594 -44.337 1.00 0.00 C ATOM 265 CG2 ILE A 21 2.835 -32.007 -44.641 1.00 0.00 C ATOM 266 CD1 ILE A 21 0.257 -33.310 -45.669 1.00 0.00 C ATOM 0 H ILE A 21 0.575 -32.333 -40.984 1.00 0.00 H new ATOM 0 HA ILE A 21 2.839 -33.540 -42.359 1.00 0.00 H new ATOM 0 HB ILE A 21 0.970 -31.546 -43.712 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.617 -34.420 -44.456 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.156 -33.920 -43.627 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.476 -31.790 -45.647 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.326 -31.124 -44.233 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.546 -32.832 -44.679 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.251 -34.207 -46.022 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.468 -32.505 -45.552 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.015 -33.013 -46.394 1.00 0.00 H new ATOM 278 N LYS A 22 4.183 -31.469 -41.875 1.00 0.00 N ATOM 279 CA LYS A 22 4.986 -30.356 -41.383 1.00 0.00 C ATOM 280 C LYS A 22 4.685 -29.080 -42.164 1.00 0.00 C ATOM 281 O LYS A 22 4.352 -28.049 -41.581 1.00 0.00 O ATOM 282 CB LYS A 22 6.476 -30.690 -41.487 1.00 0.00 C ATOM 283 CG LYS A 22 7.386 -29.522 -41.147 1.00 0.00 C ATOM 284 CD LYS A 22 7.458 -29.290 -39.647 1.00 0.00 C ATOM 285 CE LYS A 22 8.061 -27.932 -39.321 1.00 0.00 C ATOM 286 NZ LYS A 22 9.492 -27.850 -39.723 1.00 0.00 N ATOM 0 H LYS A 22 4.723 -32.223 -42.300 1.00 0.00 H new ATOM 0 HA LYS A 22 4.729 -30.190 -40.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.701 -31.521 -40.819 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.694 -31.027 -42.500 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.386 -29.714 -41.535 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.021 -28.620 -41.639 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.458 -29.357 -39.219 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.056 -30.075 -39.185 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.495 -27.152 -39.830 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.973 -27.743 -38.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.866 -26.910 -39.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.037 -28.578 -39.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.574 -28.005 -40.748 1.00 0.00 H new ATOM 300 N ALA A 23 4.802 -29.159 -43.485 1.00 0.00 N ATOM 301 CA ALA A 23 4.539 -28.012 -44.346 1.00 0.00 C ATOM 302 C ALA A 23 3.201 -27.366 -44.004 1.00 0.00 C ATOM 303 O ALA A 23 3.077 -26.142 -43.992 1.00 0.00 O ATOM 304 CB ALA A 23 4.567 -28.432 -45.808 1.00 0.00 C ATOM 0 H ALA A 23 5.077 -30.006 -43.983 1.00 0.00 H new ATOM 0 HA ALA A 23 5.323 -27.274 -44.177 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.369 -27.566 -46.439 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.548 -28.841 -46.050 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.804 -29.191 -45.983 1.00 0.00 H new ATOM 310 N ASN A 24 2.201 -28.197 -43.728 1.00 0.00 N ATOM 311 CA ASN A 24 0.870 -27.705 -43.388 1.00 0.00 C ATOM 312 C ASN A 24 0.937 -26.709 -42.234 1.00 0.00 C ATOM 313 O ASN A 24 0.619 -25.531 -42.397 1.00 0.00 O ATOM 314 CB ASN A 24 -0.048 -28.872 -43.017 1.00 0.00 C ATOM 315 CG ASN A 24 -0.748 -29.463 -44.225 1.00 0.00 C ATOM 316 OD1 ASN A 24 -0.119 -29.745 -45.245 1.00 0.00 O ATOM 317 ND2 ASN A 24 -2.058 -29.653 -44.115 1.00 0.00 N ATOM 0 H ASN A 24 2.287 -29.213 -43.733 1.00 0.00 H new ATOM 0 HA ASN A 24 0.464 -27.195 -44.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.537 -29.648 -42.524 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.794 -28.530 -42.299 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.583 -30.047 -44.895 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.539 -29.405 -43.250 1.00 0.00 H new ATOM 324 N LEU A 25 1.354 -27.191 -41.068 1.00 0.00 N ATOM 325 CA LEU A 25 1.463 -26.343 -39.886 1.00 0.00 C ATOM 326 C LEU A 25 2.042 -24.978 -40.246 1.00 0.00 C ATOM 327 O LEU A 25 1.625 -23.955 -39.705 1.00 0.00 O ATOM 328 CB LEU A 25 2.340 -27.019 -38.829 1.00 0.00 C ATOM 329 CG LEU A 25 2.333 -26.377 -37.442 1.00 0.00 C ATOM 330 CD1 LEU A 25 0.947 -26.461 -36.821 1.00 0.00 C ATOM 331 CD2 LEU A 25 3.364 -27.043 -36.541 1.00 0.00 C ATOM 0 H LEU A 25 1.622 -28.163 -40.916 1.00 0.00 H new ATOM 0 HA LEU A 25 0.462 -26.197 -39.480 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.020 -28.056 -38.729 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.367 -27.036 -39.194 1.00 0.00 H new ATOM 0 HG LEU A 25 2.598 -25.325 -37.549 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.962 -25.999 -35.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.232 -25.938 -37.456 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.653 -27.506 -36.728 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.345 -26.573 -35.558 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.130 -28.103 -36.442 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.356 -26.930 -36.978 1.00 0.00 H new ATOM 343 N ASN A 26 3.003 -24.972 -41.164 1.00 0.00 N ATOM 344 CA ASN A 26 3.637 -23.733 -41.598 1.00 0.00 C ATOM 345 C ASN A 26 2.643 -22.844 -42.340 1.00 0.00 C ATOM 346 O ASN A 26 2.468 -21.673 -42.001 1.00 0.00 O ATOM 347 CB ASN A 26 4.836 -24.037 -42.498 1.00 0.00 C ATOM 348 CG ASN A 26 5.927 -24.799 -41.769 1.00 0.00 C ATOM 349 OD1 ASN A 26 6.785 -24.204 -41.116 1.00 0.00 O ATOM 350 ND2 ASN A 26 5.899 -26.122 -41.879 1.00 0.00 N ATOM 0 H ASN A 26 3.359 -25.811 -41.621 1.00 0.00 H new ATOM 0 HA ASN A 26 3.982 -23.201 -40.711 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.503 -24.618 -43.358 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.244 -23.103 -42.883 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.607 -26.688 -41.412 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.169 -26.573 -42.431 1.00 0.00 H new ATOM 357 N VAL A 27 1.995 -23.408 -43.353 1.00 0.00 N ATOM 358 CA VAL A 27 1.017 -22.668 -44.142 1.00 0.00 C ATOM 359 C VAL A 27 -0.152 -22.208 -43.278 1.00 0.00 C ATOM 360 O VAL A 27 -0.684 -21.114 -43.466 1.00 0.00 O ATOM 361 CB VAL A 27 0.477 -23.518 -45.308 1.00 0.00 C ATOM 362 CG1 VAL A 27 -0.808 -24.224 -44.903 1.00 0.00 C ATOM 363 CG2 VAL A 27 0.255 -22.653 -46.539 1.00 0.00 C ATOM 0 H VAL A 27 2.129 -24.375 -43.647 1.00 0.00 H new ATOM 0 HA VAL A 27 1.531 -21.796 -44.546 1.00 0.00 H new ATOM 0 HB VAL A 27 1.218 -24.278 -45.555 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.175 -24.820 -45.739 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.612 -24.876 -44.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.559 -23.483 -44.628 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.126 -23.270 -47.353 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.467 -21.870 -46.308 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.199 -22.199 -46.840 1.00 0.00 H new ATOM 373 N HIS A 28 -0.547 -23.051 -42.330 1.00 0.00 N ATOM 374 CA HIS A 28 -1.653 -22.731 -41.435 1.00 0.00 C ATOM 375 C HIS A 28 -1.300 -21.551 -40.535 1.00 0.00 C ATOM 376 O HIS A 28 -2.154 -20.723 -40.216 1.00 0.00 O ATOM 377 CB HIS A 28 -2.015 -23.947 -40.581 1.00 0.00 C ATOM 378 CG HIS A 28 -2.993 -23.643 -39.489 1.00 0.00 C ATOM 379 ND1 HIS A 28 -4.359 -23.739 -39.653 1.00 0.00 N ATOM 380 CD2 HIS A 28 -2.796 -23.243 -38.211 1.00 0.00 C ATOM 381 CE1 HIS A 28 -4.960 -23.411 -38.524 1.00 0.00 C ATOM 382 NE2 HIS A 28 -4.034 -23.106 -37.632 1.00 0.00 N ATOM 0 H HIS A 28 -0.118 -23.961 -42.162 1.00 0.00 H new ATOM 0 HA HIS A 28 -2.513 -22.456 -42.046 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.431 -24.722 -41.225 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.105 -24.354 -40.140 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -4.831 -24.020 -40.512 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.843 -23.065 -37.735 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.027 -23.395 -38.358 1.00 0.00 H new ATOM 390 N LEU A 29 -0.037 -21.480 -40.129 1.00 0.00 N ATOM 391 CA LEU A 29 0.429 -20.400 -39.266 1.00 0.00 C ATOM 392 C LEU A 29 0.433 -19.069 -40.011 1.00 0.00 C ATOM 393 O LEU A 29 0.242 -18.011 -39.412 1.00 0.00 O ATOM 394 CB LEU A 29 1.834 -20.709 -38.743 1.00 0.00 C ATOM 395 CG LEU A 29 1.937 -21.848 -37.728 1.00 0.00 C ATOM 396 CD1 LEU A 29 3.332 -22.452 -37.743 1.00 0.00 C ATOM 397 CD2 LEU A 29 1.583 -21.353 -36.333 1.00 0.00 C ATOM 0 H LEU A 29 0.682 -22.157 -40.383 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.257 -20.321 -38.423 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.472 -20.948 -39.594 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.237 -19.805 -38.287 1.00 0.00 H new ATOM 0 HG LEU A 29 1.225 -22.624 -38.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.386 -23.261 -37.014 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.548 -22.844 -38.737 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.063 -21.685 -37.489 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.662 -22.177 -35.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.270 -20.558 -36.044 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.563 -20.969 -36.331 1.00 0.00 H new ATOM 409 N ARG A 30 0.650 -19.131 -41.320 1.00 0.00 N ATOM 410 CA ARG A 30 0.678 -17.931 -42.148 1.00 0.00 C ATOM 411 C ARG A 30 -0.587 -17.102 -41.944 1.00 0.00 C ATOM 412 O ARG A 30 -0.558 -15.874 -42.027 1.00 0.00 O ATOM 413 CB ARG A 30 0.822 -18.306 -43.624 1.00 0.00 C ATOM 414 CG ARG A 30 2.165 -18.931 -43.964 1.00 0.00 C ATOM 415 CD ARG A 30 2.243 -19.320 -45.432 1.00 0.00 C ATOM 416 NE ARG A 30 2.426 -18.157 -46.297 1.00 0.00 N ATOM 417 CZ ARG A 30 2.970 -18.220 -47.507 1.00 0.00 C ATOM 418 NH1 ARG A 30 3.381 -19.383 -47.993 1.00 0.00 N ATOM 419 NH2 ARG A 30 3.103 -17.118 -48.234 1.00 0.00 N ATOM 0 H ARG A 30 0.809 -20.000 -41.831 1.00 0.00 H new ATOM 0 HA ARG A 30 1.538 -17.332 -41.848 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.028 -19.003 -43.893 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.682 -17.413 -44.233 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.964 -18.228 -43.730 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.324 -19.813 -43.344 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.069 -20.015 -45.579 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.331 -19.844 -45.717 1.00 0.00 H new ATOM 0 HE ARG A 30 2.119 -17.247 -45.953 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.280 -20.232 -47.437 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.798 -19.428 -48.923 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.787 -16.222 -47.864 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.521 -17.167 -49.163 1.00 0.00 H new ATOM 433 N LYS A 31 -1.698 -17.781 -41.678 1.00 0.00 N ATOM 434 CA LYS A 31 -2.973 -17.109 -41.463 1.00 0.00 C ATOM 435 C LYS A 31 -2.980 -16.370 -40.128 1.00 0.00 C ATOM 436 O LYS A 31 -3.606 -15.318 -39.992 1.00 0.00 O ATOM 437 CB LYS A 31 -4.120 -18.122 -41.503 1.00 0.00 C ATOM 438 CG LYS A 31 -4.071 -19.049 -42.705 1.00 0.00 C ATOM 439 CD LYS A 31 -5.158 -20.108 -42.637 1.00 0.00 C ATOM 440 CE LYS A 31 -4.758 -21.366 -43.392 1.00 0.00 C ATOM 441 NZ LYS A 31 -5.174 -21.312 -44.821 1.00 0.00 N ATOM 0 H LYS A 31 -1.740 -18.798 -41.606 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.111 -16.381 -42.262 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.097 -18.720 -40.592 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.068 -17.585 -41.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.186 -18.467 -43.619 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.095 -19.531 -42.754 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.361 -20.357 -41.595 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.082 -19.710 -43.055 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.677 -21.497 -43.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.211 -22.235 -42.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.883 -22.188 -45.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.208 -21.213 -44.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.722 -20.497 -45.284 1.00 0.00 H new ATOM 455 N HIS A 32 -2.279 -16.927 -39.145 1.00 0.00 N ATOM 456 CA HIS A 32 -2.203 -16.319 -37.821 1.00 0.00 C ATOM 457 C HIS A 32 -1.416 -15.013 -37.868 1.00 0.00 C ATOM 458 O HIS A 32 -1.579 -14.146 -37.009 1.00 0.00 O ATOM 459 CB HIS A 32 -1.553 -17.285 -36.830 1.00 0.00 C ATOM 460 CG HIS A 32 -2.502 -18.303 -36.276 1.00 0.00 C ATOM 461 ND1 HIS A 32 -3.613 -17.969 -35.531 1.00 0.00 N ATOM 462 CD2 HIS A 32 -2.501 -19.654 -36.364 1.00 0.00 C ATOM 463 CE1 HIS A 32 -4.254 -19.071 -35.183 1.00 0.00 C ATOM 464 NE2 HIS A 32 -3.600 -20.107 -35.676 1.00 0.00 N ATOM 0 H HIS A 32 -1.756 -17.798 -39.240 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.218 -16.099 -37.490 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.729 -17.800 -37.324 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.124 -16.714 -36.007 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -3.896 -17.020 -35.287 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.772 -20.262 -36.879 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.159 -19.117 -34.595 1.00 0.00 H new ATOM 472 N THR A 33 -0.559 -14.879 -38.876 1.00 0.00 N ATOM 473 CA THR A 33 0.255 -13.680 -39.033 1.00 0.00 C ATOM 474 C THR A 33 -0.498 -12.439 -38.567 1.00 0.00 C ATOM 475 O THR A 33 -1.699 -12.305 -38.800 1.00 0.00 O ATOM 476 CB THR A 33 0.688 -13.484 -40.498 1.00 0.00 C ATOM 477 OG1 THR A 33 -0.463 -13.447 -41.349 1.00 0.00 O ATOM 478 CG2 THR A 33 1.617 -14.603 -40.942 1.00 0.00 C ATOM 0 H THR A 33 -0.411 -15.586 -39.596 1.00 0.00 H new ATOM 0 HA THR A 33 1.142 -13.817 -38.414 1.00 0.00 H new ATOM 0 HB THR A 33 1.224 -12.538 -40.571 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.599 -14.329 -41.754 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.909 -14.443 -41.980 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.506 -14.610 -40.311 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.102 -15.560 -40.853 1.00 0.00 H new ATOM 486 N GLY A 34 0.216 -11.533 -37.906 1.00 0.00 N ATOM 487 CA GLY A 34 -0.402 -10.314 -37.418 1.00 0.00 C ATOM 488 C GLY A 34 -0.810 -10.413 -35.962 1.00 0.00 C ATOM 489 O GLY A 34 -1.950 -10.113 -35.608 1.00 0.00 O ATOM 0 H GLY A 34 1.211 -11.621 -37.700 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.293 -9.483 -37.542 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.280 -10.088 -38.023 1.00 0.00 H new ATOM 493 N GLU A 35 0.123 -10.838 -35.115 1.00 0.00 N ATOM 494 CA GLU A 35 -0.148 -10.979 -33.689 1.00 0.00 C ATOM 495 C GLU A 35 -1.063 -9.862 -33.196 1.00 0.00 C ATOM 496 O GLU A 35 -1.106 -8.777 -33.776 1.00 0.00 O ATOM 497 CB GLU A 35 1.161 -10.968 -32.896 1.00 0.00 C ATOM 498 CG GLU A 35 1.068 -11.684 -31.559 1.00 0.00 C ATOM 499 CD GLU A 35 2.429 -11.998 -30.969 1.00 0.00 C ATOM 500 OE1 GLU A 35 3.145 -11.047 -30.592 1.00 0.00 O ATOM 501 OE2 GLU A 35 2.778 -13.194 -30.885 1.00 0.00 O ATOM 0 H GLU A 35 1.072 -11.090 -35.391 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.652 -11.933 -33.533 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.943 -11.435 -33.495 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.464 -9.935 -32.725 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.506 -11.066 -30.858 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.509 -12.611 -31.686 1.00 0.00 H new ATOM 508 N LYS A 36 -1.796 -10.137 -32.122 1.00 0.00 N ATOM 509 CA LYS A 36 -2.711 -9.157 -31.549 1.00 0.00 C ATOM 510 C LYS A 36 -2.230 -8.701 -30.175 1.00 0.00 C ATOM 511 O LYS A 36 -2.466 -9.371 -29.170 1.00 0.00 O ATOM 512 CB LYS A 36 -4.118 -9.747 -31.438 1.00 0.00 C ATOM 513 CG LYS A 36 -4.951 -9.576 -32.697 1.00 0.00 C ATOM 514 CD LYS A 36 -5.898 -8.394 -32.582 1.00 0.00 C ATOM 515 CE LYS A 36 -6.361 -7.916 -33.950 1.00 0.00 C ATOM 516 NZ LYS A 36 -7.487 -6.947 -33.848 1.00 0.00 N ATOM 0 H LYS A 36 -1.774 -11.031 -31.631 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.737 -8.291 -32.211 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.040 -10.809 -31.206 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.636 -9.275 -30.603 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.292 -9.434 -33.554 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.523 -10.485 -32.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.763 -8.676 -31.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.400 -7.577 -32.059 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.526 -7.449 -34.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.672 -8.773 -34.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.773 -6.646 -34.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.293 -7.400 -33.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.183 -6.118 -33.299 1.00 0.00 H new ATOM 530 N PHE A 37 -1.554 -7.557 -30.139 1.00 0.00 N ATOM 531 CA PHE A 37 -1.040 -7.012 -28.888 1.00 0.00 C ATOM 532 C PHE A 37 -2.077 -6.116 -28.218 1.00 0.00 C ATOM 533 O PHE A 37 -2.331 -4.999 -28.668 1.00 0.00 O ATOM 534 CB PHE A 37 0.246 -6.222 -29.141 1.00 0.00 C ATOM 535 CG PHE A 37 1.211 -6.924 -30.054 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.095 -6.806 -31.429 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.233 -7.703 -29.535 1.00 0.00 C ATOM 538 CE1 PHE A 37 1.982 -7.451 -32.271 1.00 0.00 C ATOM 539 CE2 PHE A 37 3.123 -8.349 -30.372 1.00 0.00 C ATOM 540 CZ PHE A 37 2.996 -8.224 -31.742 1.00 0.00 C ATOM 0 H PHE A 37 -1.350 -6.990 -30.962 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.821 -7.846 -28.221 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.010 -5.254 -29.571 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.737 -6.027 -28.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.303 -6.203 -31.848 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.335 -7.806 -28.465 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.882 -7.350 -33.342 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.917 -8.951 -29.955 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.689 -8.730 -32.398 1.00 0.00 H new ATOM 550 N ALA A 38 -2.675 -6.615 -27.141 1.00 0.00 N ATOM 551 CA ALA A 38 -3.683 -5.860 -26.408 1.00 0.00 C ATOM 552 C ALA A 38 -3.036 -4.868 -25.448 1.00 0.00 C ATOM 553 O ALA A 38 -2.070 -5.195 -24.759 1.00 0.00 O ATOM 554 CB ALA A 38 -4.604 -6.805 -25.652 1.00 0.00 C ATOM 0 H ALA A 38 -2.478 -7.539 -26.757 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.273 -5.295 -27.129 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.352 -6.227 -25.109 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.101 -7.470 -26.358 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.020 -7.396 -24.947 1.00 0.00 H new ATOM 560 N CYS A 39 -3.574 -3.653 -25.407 1.00 0.00 N ATOM 561 CA CYS A 39 -3.049 -2.613 -24.532 1.00 0.00 C ATOM 562 C CYS A 39 -3.032 -3.080 -23.080 1.00 0.00 C ATOM 563 O CYS A 39 -4.025 -3.601 -22.572 1.00 0.00 O ATOM 564 CB CYS A 39 -3.888 -1.339 -24.659 1.00 0.00 C ATOM 565 SG CYS A 39 -3.278 0.056 -23.659 1.00 0.00 S ATOM 0 H CYS A 39 -4.374 -3.365 -25.971 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.025 -2.399 -24.838 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.915 -1.037 -25.706 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.914 -1.562 -24.365 1.00 0.00 H new ATOM 570 N ASP A 40 -1.896 -2.891 -22.417 1.00 0.00 N ATOM 571 CA ASP A 40 -1.749 -3.292 -21.022 1.00 0.00 C ATOM 572 C ASP A 40 -2.376 -2.259 -20.091 1.00 0.00 C ATOM 573 O ASP A 40 -2.137 -2.272 -18.883 1.00 0.00 O ATOM 574 CB ASP A 40 -0.271 -3.479 -20.676 1.00 0.00 C ATOM 575 CG ASP A 40 -0.064 -4.433 -19.517 1.00 0.00 C ATOM 576 OD1 ASP A 40 -0.817 -5.425 -19.423 1.00 0.00 O ATOM 577 OD2 ASP A 40 0.851 -4.188 -18.703 1.00 0.00 O ATOM 0 H ASP A 40 -1.064 -2.463 -22.823 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.269 -4.240 -20.885 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.259 -3.855 -21.551 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.167 -2.512 -20.429 1.00 0.00 H new ATOM 582 N TYR A 41 -3.177 -1.365 -20.660 1.00 0.00 N ATOM 583 CA TYR A 41 -3.835 -0.323 -19.881 1.00 0.00 C ATOM 584 C TYR A 41 -5.347 -0.366 -20.081 1.00 0.00 C ATOM 585 O TYR A 41 -6.114 -0.003 -19.189 1.00 0.00 O ATOM 586 CB TYR A 41 -3.296 1.054 -20.275 1.00 0.00 C ATOM 587 CG TYR A 41 -1.816 1.221 -20.019 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.877 0.540 -20.785 1.00 0.00 C ATOM 589 CD2 TYR A 41 -1.355 2.060 -19.012 1.00 0.00 C ATOM 590 CE1 TYR A 41 0.477 0.689 -20.554 1.00 0.00 C ATOM 591 CE2 TYR A 41 -0.003 2.216 -18.775 1.00 0.00 C ATOM 592 CZ TYR A 41 0.909 1.528 -19.548 1.00 0.00 C ATOM 593 OH TYR A 41 2.257 1.680 -19.316 1.00 0.00 O ATOM 0 H TYR A 41 -3.386 -1.341 -21.658 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.621 -0.502 -18.827 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.494 1.223 -21.333 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.840 1.820 -19.722 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.212 -0.117 -21.574 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.066 2.600 -18.404 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.193 0.152 -21.158 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.338 2.873 -17.989 1.00 0.00 H new ATOM 0 HH TYR A 41 2.393 2.306 -18.574 1.00 0.00 H new ATOM 603 N CYS A 42 -5.769 -0.814 -21.259 1.00 0.00 N ATOM 604 CA CYS A 42 -7.188 -0.906 -21.579 1.00 0.00 C ATOM 605 C CYS A 42 -7.467 -2.111 -22.472 1.00 0.00 C ATOM 606 O CYS A 42 -6.572 -2.906 -22.757 1.00 0.00 O ATOM 607 CB CYS A 42 -7.661 0.375 -22.269 1.00 0.00 C ATOM 608 SG CYS A 42 -7.071 0.557 -23.983 1.00 0.00 S ATOM 0 H CYS A 42 -5.148 -1.119 -22.008 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.738 -1.032 -20.646 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.751 0.395 -22.267 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.325 1.234 -21.687 1.00 0.00 H new ATOM 613 N SER A 43 -8.716 -2.240 -22.910 1.00 0.00 N ATOM 614 CA SER A 43 -9.114 -3.349 -23.768 1.00 0.00 C ATOM 615 C SER A 43 -8.816 -3.038 -25.232 1.00 0.00 C ATOM 616 O SER A 43 -9.492 -3.534 -26.134 1.00 0.00 O ATOM 617 CB SER A 43 -10.604 -3.648 -23.591 1.00 0.00 C ATOM 618 OG SER A 43 -10.910 -3.933 -22.237 1.00 0.00 O ATOM 0 H SER A 43 -9.469 -1.590 -22.684 1.00 0.00 H new ATOM 0 HA SER A 43 -8.537 -4.227 -23.477 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.192 -2.794 -23.928 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.885 -4.495 -24.217 1.00 0.00 H new ATOM 0 HG SER A 43 -11.868 -4.119 -22.150 1.00 0.00 H new ATOM 624 N PHE A 44 -7.800 -2.214 -25.460 1.00 0.00 N ATOM 625 CA PHE A 44 -7.412 -1.835 -26.814 1.00 0.00 C ATOM 626 C PHE A 44 -6.578 -2.932 -27.468 1.00 0.00 C ATOM 627 O PHE A 44 -5.886 -3.692 -26.789 1.00 0.00 O ATOM 628 CB PHE A 44 -6.623 -0.524 -26.793 1.00 0.00 C ATOM 629 CG PHE A 44 -5.966 -0.198 -28.104 1.00 0.00 C ATOM 630 CD1 PHE A 44 -4.707 -0.692 -28.404 1.00 0.00 C ATOM 631 CD2 PHE A 44 -6.607 0.602 -29.036 1.00 0.00 C ATOM 632 CE1 PHE A 44 -4.099 -0.395 -29.609 1.00 0.00 C ATOM 633 CE2 PHE A 44 -6.005 0.902 -30.243 1.00 0.00 C ATOM 634 CZ PHE A 44 -4.749 0.404 -30.530 1.00 0.00 C ATOM 0 H PHE A 44 -7.230 -1.795 -24.725 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.321 -1.695 -27.400 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.294 0.290 -26.520 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.859 -0.581 -26.017 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.194 -1.317 -27.688 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.588 0.996 -28.817 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.117 -0.787 -29.830 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.516 1.525 -30.962 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.276 0.639 -31.472 1.00 0.00 H new ATOM 644 N THR A 45 -6.649 -3.011 -28.793 1.00 0.00 N ATOM 645 CA THR A 45 -5.904 -4.016 -29.540 1.00 0.00 C ATOM 646 C THR A 45 -5.404 -3.456 -30.867 1.00 0.00 C ATOM 647 O THR A 45 -5.991 -2.524 -31.419 1.00 0.00 O ATOM 648 CB THR A 45 -6.763 -5.265 -29.814 1.00 0.00 C ATOM 649 OG1 THR A 45 -8.066 -4.875 -30.261 1.00 0.00 O ATOM 650 CG2 THR A 45 -6.886 -6.122 -28.563 1.00 0.00 C ATOM 0 H THR A 45 -7.216 -2.390 -29.371 1.00 0.00 H new ATOM 0 HA THR A 45 -5.051 -4.299 -28.923 1.00 0.00 H new ATOM 0 HB THR A 45 -6.274 -5.852 -30.591 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.605 -5.675 -30.435 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.497 -6.998 -28.781 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.895 -6.442 -28.242 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.355 -5.541 -27.769 1.00 0.00 H new ATOM 658 N CYS A 46 -4.319 -4.030 -31.375 1.00 0.00 N ATOM 659 CA CYS A 46 -3.741 -3.588 -32.639 1.00 0.00 C ATOM 660 C CYS A 46 -2.983 -4.724 -33.317 1.00 0.00 C ATOM 661 O CYS A 46 -2.818 -5.803 -32.746 1.00 0.00 O ATOM 662 CB CYS A 46 -2.804 -2.401 -32.407 1.00 0.00 C ATOM 663 SG CYS A 46 -2.697 -1.261 -33.806 1.00 0.00 S ATOM 0 H CYS A 46 -3.822 -4.802 -30.931 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.555 -3.277 -33.294 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -3.142 -1.851 -31.529 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.806 -2.778 -32.182 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.883 -0.290 -33.513 1.00 0.00 H new ATOM 669 N LEU A 47 -2.525 -4.477 -34.540 1.00 0.00 N ATOM 670 CA LEU A 47 -1.786 -5.480 -35.298 1.00 0.00 C ATOM 671 C LEU A 47 -0.338 -5.047 -35.506 1.00 0.00 C ATOM 672 O LEU A 47 0.263 -5.335 -36.541 1.00 0.00 O ATOM 673 CB LEU A 47 -2.458 -5.722 -36.651 1.00 0.00 C ATOM 674 CG LEU A 47 -3.826 -6.403 -36.609 1.00 0.00 C ATOM 675 CD1 LEU A 47 -4.421 -6.492 -38.006 1.00 0.00 C ATOM 676 CD2 LEU A 47 -3.714 -7.787 -35.987 1.00 0.00 C ATOM 0 H LEU A 47 -2.653 -3.590 -35.028 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.790 -6.408 -34.726 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.568 -4.762 -37.156 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.791 -6.330 -37.262 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.491 -5.801 -35.990 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.395 -6.980 -37.956 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.538 -5.489 -38.416 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.757 -7.071 -38.648 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.697 -8.257 -35.965 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.033 -8.398 -36.579 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.331 -7.699 -34.970 1.00 0.00 H new ATOM 688 N SER A 48 0.216 -4.357 -34.514 1.00 0.00 N ATOM 689 CA SER A 48 1.593 -3.884 -34.589 1.00 0.00 C ATOM 690 C SER A 48 2.078 -3.405 -33.224 1.00 0.00 C ATOM 691 O SER A 48 1.457 -2.545 -32.598 1.00 0.00 O ATOM 692 CB SER A 48 1.711 -2.752 -35.611 1.00 0.00 C ATOM 693 OG SER A 48 2.003 -3.258 -36.902 1.00 0.00 O ATOM 0 H SER A 48 -0.267 -4.113 -33.650 1.00 0.00 H new ATOM 0 HA SER A 48 2.220 -4.717 -34.906 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.780 -2.186 -35.641 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.495 -2.060 -35.303 1.00 0.00 H new ATOM 0 HG SER A 48 1.480 -4.071 -37.061 1.00 0.00 H new ATOM 699 N LYS A 49 3.192 -3.967 -32.768 1.00 0.00 N ATOM 700 CA LYS A 49 3.763 -3.598 -31.478 1.00 0.00 C ATOM 701 C LYS A 49 4.138 -2.120 -31.452 1.00 0.00 C ATOM 702 O LYS A 49 3.720 -1.379 -30.563 1.00 0.00 O ATOM 703 CB LYS A 49 4.997 -4.454 -31.180 1.00 0.00 C ATOM 704 CG LYS A 49 4.966 -5.818 -31.847 1.00 0.00 C ATOM 705 CD LYS A 49 5.667 -6.868 -31.001 1.00 0.00 C ATOM 706 CE LYS A 49 7.166 -6.883 -31.260 1.00 0.00 C ATOM 707 NZ LYS A 49 7.932 -7.307 -30.056 1.00 0.00 N ATOM 0 H LYS A 49 3.718 -4.680 -33.273 1.00 0.00 H new ATOM 0 HA LYS A 49 3.010 -3.777 -30.711 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.888 -3.919 -31.508 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.084 -4.588 -30.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.932 -6.117 -32.017 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.445 -5.757 -32.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.481 -6.670 -29.945 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.249 -7.851 -31.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.385 -7.559 -32.087 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.492 -5.889 -31.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.949 -7.304 -30.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.743 -6.648 -29.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.640 -8.266 -29.778 1.00 0.00 H new ATOM 721 N GLY A 50 4.929 -1.697 -32.434 1.00 0.00 N ATOM 722 CA GLY A 50 5.345 -0.308 -32.505 1.00 0.00 C ATOM 723 C GLY A 50 4.189 0.654 -32.323 1.00 0.00 C ATOM 724 O GLY A 50 4.300 1.639 -31.592 1.00 0.00 O ATOM 0 H GLY A 50 5.289 -2.291 -33.181 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.096 -0.117 -31.738 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.819 -0.123 -33.469 1.00 0.00 H new ATOM 728 N HIS A 51 3.074 0.371 -32.989 1.00 0.00 N ATOM 729 CA HIS A 51 1.892 1.220 -32.898 1.00 0.00 C ATOM 730 C HIS A 51 1.313 1.195 -31.486 1.00 0.00 C ATOM 731 O HIS A 51 1.058 2.242 -30.890 1.00 0.00 O ATOM 732 CB HIS A 51 0.833 0.767 -33.904 1.00 0.00 C ATOM 733 CG HIS A 51 1.001 1.372 -35.263 1.00 0.00 C ATOM 734 ND1 HIS A 51 0.571 0.756 -36.420 1.00 0.00 N ATOM 735 CD2 HIS A 51 1.554 2.546 -35.648 1.00 0.00 C ATOM 736 CE1 HIS A 51 0.854 1.524 -37.457 1.00 0.00 C ATOM 737 NE2 HIS A 51 1.451 2.617 -37.015 1.00 0.00 N ATOM 0 H HIS A 51 2.964 -0.440 -33.598 1.00 0.00 H new ATOM 0 HA HIS A 51 2.190 2.242 -33.132 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.868 -0.319 -33.992 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.154 1.024 -33.520 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.995 3.289 -35.000 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.635 1.297 -38.490 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.782 3.388 -37.595 1.00 0.00 H new ATOM 745 N LEU A 52 1.107 -0.006 -30.958 1.00 0.00 N ATOM 746 CA LEU A 52 0.557 -0.168 -29.617 1.00 0.00 C ATOM 747 C LEU A 52 1.185 0.828 -28.647 1.00 0.00 C ATOM 748 O LEU A 52 0.487 1.480 -27.870 1.00 0.00 O ATOM 749 CB LEU A 52 0.786 -1.596 -29.119 1.00 0.00 C ATOM 750 CG LEU A 52 0.496 -1.845 -27.638 1.00 0.00 C ATOM 751 CD1 LEU A 52 -0.914 -1.396 -27.288 1.00 0.00 C ATOM 752 CD2 LEU A 52 0.690 -3.316 -27.297 1.00 0.00 C ATOM 0 H LEU A 52 1.313 -0.882 -31.438 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.515 0.026 -29.665 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.164 -2.269 -29.709 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.823 -1.866 -29.316 1.00 0.00 H new ATOM 0 HG LEU A 52 1.199 -1.260 -27.046 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.103 -1.581 -26.230 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.018 -0.331 -27.495 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.633 -1.954 -27.888 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.480 -3.475 -26.239 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.011 -3.921 -27.897 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.719 -3.606 -27.510 1.00 0.00 H new ATOM 764 N LYS A 53 2.508 0.943 -28.699 1.00 0.00 N ATOM 765 CA LYS A 53 3.232 1.861 -27.828 1.00 0.00 C ATOM 766 C LYS A 53 2.641 3.265 -27.908 1.00 0.00 C ATOM 767 O LYS A 53 2.337 3.881 -26.885 1.00 0.00 O ATOM 768 CB LYS A 53 4.713 1.898 -28.210 1.00 0.00 C ATOM 769 CG LYS A 53 5.355 3.263 -28.028 1.00 0.00 C ATOM 770 CD LYS A 53 5.338 4.064 -29.319 1.00 0.00 C ATOM 771 CE LYS A 53 6.576 4.938 -29.449 1.00 0.00 C ATOM 772 NZ LYS A 53 6.404 6.248 -28.762 1.00 0.00 N ATOM 0 H LYS A 53 3.101 0.411 -29.336 1.00 0.00 H new ATOM 0 HA LYS A 53 3.136 1.502 -26.803 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.253 1.168 -27.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.819 1.592 -29.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.826 3.814 -27.250 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.383 3.140 -27.689 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.280 3.384 -30.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.445 4.689 -29.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.435 4.416 -29.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.793 5.107 -30.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.124 6.916 -29.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.457 6.626 -28.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.511 6.118 -27.736 1.00 0.00 H new ATOM 786 N VAL A 54 2.478 3.766 -29.128 1.00 0.00 N ATOM 787 CA VAL A 54 1.921 5.097 -29.340 1.00 0.00 C ATOM 788 C VAL A 54 0.606 5.268 -28.588 1.00 0.00 C ATOM 789 O VAL A 54 0.451 6.192 -27.788 1.00 0.00 O ATOM 790 CB VAL A 54 1.683 5.373 -30.837 1.00 0.00 C ATOM 791 CG1 VAL A 54 1.123 6.773 -31.039 1.00 0.00 C ATOM 792 CG2 VAL A 54 2.971 5.187 -31.624 1.00 0.00 C ATOM 0 H VAL A 54 2.724 3.270 -29.985 1.00 0.00 H new ATOM 0 HA VAL A 54 2.651 5.811 -28.958 1.00 0.00 H new ATOM 0 HB VAL A 54 0.950 4.657 -31.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.961 6.950 -32.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.176 6.866 -30.507 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.830 7.507 -30.652 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.785 5.386 -32.679 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.727 5.878 -31.253 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.326 4.163 -31.505 1.00 0.00 H new ATOM 802 N HIS A 55 -0.341 4.372 -28.850 1.00 0.00 N ATOM 803 CA HIS A 55 -1.644 4.423 -28.196 1.00 0.00 C ATOM 804 C HIS A 55 -1.502 4.838 -26.735 1.00 0.00 C ATOM 805 O HIS A 55 -2.226 5.711 -26.255 1.00 0.00 O ATOM 806 CB HIS A 55 -2.337 3.063 -28.288 1.00 0.00 C ATOM 807 CG HIS A 55 -3.428 2.878 -27.279 1.00 0.00 C ATOM 808 ND1 HIS A 55 -4.708 3.361 -27.457 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.426 2.257 -26.076 1.00 0.00 C ATOM 810 CE1 HIS A 55 -5.445 3.047 -26.406 1.00 0.00 C ATOM 811 NE2 HIS A 55 -4.691 2.376 -25.554 1.00 0.00 N ATOM 0 H HIS A 55 -0.230 3.602 -29.510 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.253 5.168 -28.709 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.754 2.944 -29.288 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.594 2.276 -28.156 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.034 3.879 -28.272 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.586 1.760 -25.613 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.487 3.297 -26.267 1.00 0.00 H new ATOM 819 N ILE A 56 -0.568 4.205 -26.033 1.00 0.00 N ATOM 820 CA ILE A 56 -0.333 4.509 -24.627 1.00 0.00 C ATOM 821 C ILE A 56 0.286 5.893 -24.460 1.00 0.00 C ATOM 822 O ILE A 56 -0.097 6.651 -23.570 1.00 0.00 O ATOM 823 CB ILE A 56 0.589 3.464 -23.971 1.00 0.00 C ATOM 824 CG1 ILE A 56 -0.112 2.106 -23.901 1.00 0.00 C ATOM 825 CG2 ILE A 56 1.007 3.923 -22.582 1.00 0.00 C ATOM 826 CD1 ILE A 56 0.841 0.941 -23.754 1.00 0.00 C ATOM 0 H ILE A 56 0.038 3.479 -26.415 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.304 4.486 -24.133 1.00 0.00 H new ATOM 0 HB ILE A 56 1.486 3.358 -24.582 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.805 2.107 -23.059 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.707 1.966 -24.803 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.658 3.174 -22.132 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.541 4.870 -22.657 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.121 4.055 -21.960 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.275 0.011 -23.711 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.518 0.914 -24.608 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.419 1.057 -22.837 1.00 0.00 H new ATOM 838 N GLU A 57 1.244 6.215 -25.324 1.00 0.00 N ATOM 839 CA GLU A 57 1.915 7.508 -25.272 1.00 0.00 C ATOM 840 C GLU A 57 0.984 8.624 -25.737 1.00 0.00 C ATOM 841 O GLU A 57 1.307 9.806 -25.621 1.00 0.00 O ATOM 842 CB GLU A 57 3.177 7.488 -26.137 1.00 0.00 C ATOM 843 CG GLU A 57 4.061 6.276 -25.897 1.00 0.00 C ATOM 844 CD GLU A 57 5.114 6.523 -24.834 1.00 0.00 C ATOM 845 OE1 GLU A 57 4.819 7.254 -23.865 1.00 0.00 O ATOM 846 OE2 GLU A 57 6.233 5.986 -24.972 1.00 0.00 O ATOM 0 H GLU A 57 1.572 5.599 -26.067 1.00 0.00 H new ATOM 0 HA GLU A 57 2.196 7.701 -24.237 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.887 7.514 -27.188 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.754 8.392 -25.943 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.440 5.431 -25.598 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.551 5.998 -26.830 1.00 0.00 H new ATOM 853 N ARG A 58 -0.174 8.239 -26.264 1.00 0.00 N ATOM 854 CA ARG A 58 -1.152 9.205 -26.749 1.00 0.00 C ATOM 855 C ARG A 58 -2.408 9.188 -25.883 1.00 0.00 C ATOM 856 O ARG A 58 -3.089 10.204 -25.739 1.00 0.00 O ATOM 857 CB ARG A 58 -1.518 8.906 -28.204 1.00 0.00 C ATOM 858 CG ARG A 58 -2.838 8.169 -28.360 1.00 0.00 C ATOM 859 CD ARG A 58 -3.187 7.956 -29.825 1.00 0.00 C ATOM 860 NE ARG A 58 -3.526 9.208 -30.494 1.00 0.00 N ATOM 861 CZ ARG A 58 -2.813 9.727 -31.488 1.00 0.00 C ATOM 862 NH1 ARG A 58 -1.728 9.104 -31.925 1.00 0.00 N ATOM 863 NH2 ARG A 58 -3.186 10.872 -32.047 1.00 0.00 N ATOM 0 H ARG A 58 -0.458 7.265 -26.366 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.705 10.197 -26.691 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.567 9.844 -28.758 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.724 8.311 -28.655 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.780 7.205 -27.855 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.632 8.736 -27.874 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.344 7.490 -30.334 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.027 7.265 -29.901 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.356 9.712 -30.181 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.438 8.224 -31.498 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.182 9.505 -32.688 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.021 11.354 -31.714 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.638 11.269 -32.810 1.00 0.00 H new ATOM 877 N VAL A 59 -2.709 8.028 -25.308 1.00 0.00 N ATOM 878 CA VAL A 59 -3.882 7.879 -24.456 1.00 0.00 C ATOM 879 C VAL A 59 -3.481 7.612 -23.010 1.00 0.00 C ATOM 880 O VAL A 59 -3.983 8.253 -22.086 1.00 0.00 O ATOM 881 CB VAL A 59 -4.789 6.734 -24.945 1.00 0.00 C ATOM 882 CG1 VAL A 59 -4.390 5.420 -24.290 1.00 0.00 C ATOM 883 CG2 VAL A 59 -6.250 7.055 -24.667 1.00 0.00 C ATOM 0 H VAL A 59 -2.156 7.178 -25.417 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.433 8.818 -24.510 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.663 6.629 -26.023 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.042 4.623 -24.647 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.356 5.186 -24.545 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.486 5.509 -23.208 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.876 6.235 -25.019 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.396 7.188 -23.595 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.526 7.972 -25.187 1.00 0.00 H new ATOM 893 N HIS A 60 -2.571 6.662 -22.819 1.00 0.00 N ATOM 894 CA HIS A 60 -2.101 6.310 -21.484 1.00 0.00 C ATOM 895 C HIS A 60 -0.790 7.024 -21.165 1.00 0.00 C ATOM 896 O HIS A 60 0.133 6.429 -20.609 1.00 0.00 O ATOM 897 CB HIS A 60 -1.913 4.798 -21.369 1.00 0.00 C ATOM 898 CG HIS A 60 -3.181 4.021 -21.542 1.00 0.00 C ATOM 899 ND1 HIS A 60 -4.168 3.967 -20.580 1.00 0.00 N ATOM 900 CD2 HIS A 60 -3.623 3.266 -22.575 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.161 3.211 -21.013 1.00 0.00 C ATOM 902 NE2 HIS A 60 -4.855 2.773 -22.221 1.00 0.00 N ATOM 0 H HIS A 60 -2.144 6.122 -23.572 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.854 6.630 -20.764 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.192 4.472 -22.119 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.485 4.567 -20.393 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.136 4.437 -19.675 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.104 3.085 -23.504 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.069 2.989 -20.471 1.00 0.00 H new ATOM 910 N LYS A 61 -0.716 8.302 -21.521 1.00 0.00 N ATOM 911 CA LYS A 61 0.480 9.098 -21.273 1.00 0.00 C ATOM 912 C LYS A 61 0.493 9.628 -19.843 1.00 0.00 C ATOM 913 O LYS A 61 -0.558 9.853 -19.243 1.00 0.00 O ATOM 914 CB LYS A 61 0.557 10.263 -22.261 1.00 0.00 C ATOM 915 CG LYS A 61 1.627 11.284 -21.916 1.00 0.00 C ATOM 916 CD LYS A 61 3.020 10.683 -22.000 1.00 0.00 C ATOM 917 CE LYS A 61 3.603 10.822 -23.397 1.00 0.00 C ATOM 918 NZ LYS A 61 3.994 12.227 -23.698 1.00 0.00 N ATOM 0 H LYS A 61 -1.471 8.809 -21.983 1.00 0.00 H new ATOM 0 HA LYS A 61 1.349 8.455 -21.412 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.750 9.870 -23.259 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.411 10.762 -22.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.554 12.132 -22.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.455 11.667 -20.910 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.674 11.176 -21.281 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.980 9.629 -21.724 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.474 10.174 -23.493 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.872 10.483 -24.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.622 12.243 -24.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.142 12.789 -23.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.491 12.632 -22.879 1.00 0.00 H new ATOM 932 N LYS A 62 1.690 9.829 -19.302 1.00 0.00 N ATOM 933 CA LYS A 62 1.841 10.336 -17.943 1.00 0.00 C ATOM 934 C LYS A 62 1.401 9.294 -16.921 1.00 0.00 C ATOM 935 O LYS A 62 0.523 9.552 -16.096 1.00 0.00 O ATOM 936 CB LYS A 62 1.026 11.619 -17.763 1.00 0.00 C ATOM 937 CG LYS A 62 1.365 12.381 -16.493 1.00 0.00 C ATOM 938 CD LYS A 62 2.628 13.209 -16.660 1.00 0.00 C ATOM 939 CE LYS A 62 3.100 13.780 -15.331 1.00 0.00 C ATOM 940 NZ LYS A 62 2.335 14.998 -14.948 1.00 0.00 N ATOM 0 H LYS A 62 2.570 9.648 -19.784 1.00 0.00 H new ATOM 0 HA LYS A 62 2.896 10.556 -17.779 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.192 12.269 -18.622 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.035 11.368 -17.754 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.534 13.034 -16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.496 11.678 -15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.415 12.591 -17.092 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.441 14.023 -17.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.993 13.024 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.161 14.023 -15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.686 15.357 -14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.457 15.729 -15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.326 14.761 -14.861 1.00 0.00 H new ATOM 954 N ILE A 63 2.015 8.117 -16.980 1.00 0.00 N ATOM 955 CA ILE A 63 1.688 7.037 -16.057 1.00 0.00 C ATOM 956 C ILE A 63 2.863 6.080 -15.892 1.00 0.00 C ATOM 957 O ILE A 63 3.724 5.979 -16.766 1.00 0.00 O ATOM 958 CB ILE A 63 0.457 6.244 -16.534 1.00 0.00 C ATOM 959 CG1 ILE A 63 0.110 5.145 -15.527 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.711 5.648 -17.910 1.00 0.00 C ATOM 961 CD1 ILE A 63 -1.216 4.472 -15.800 1.00 0.00 C ATOM 0 H ILE A 63 2.742 7.887 -17.658 1.00 0.00 H new ATOM 0 HA ILE A 63 1.463 7.500 -15.096 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.390 6.926 -16.606 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.899 4.393 -15.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.091 5.574 -14.525 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.168 5.091 -18.233 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.915 6.448 -18.621 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.569 4.977 -17.863 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.396 3.705 -15.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.015 5.213 -15.762 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.194 4.013 -16.788 1.00 0.00 H new ATOM 973 N LYS A 64 2.892 5.377 -14.765 1.00 0.00 N ATOM 974 CA LYS A 64 3.959 4.424 -14.484 1.00 0.00 C ATOM 975 C LYS A 64 4.397 3.706 -15.757 1.00 0.00 C ATOM 976 O LYS A 64 3.680 2.849 -16.274 1.00 0.00 O ATOM 977 CB LYS A 64 3.498 3.402 -13.443 1.00 0.00 C ATOM 978 CG LYS A 64 3.642 3.886 -12.011 1.00 0.00 C ATOM 979 CD LYS A 64 2.567 4.898 -11.653 1.00 0.00 C ATOM 980 CE LYS A 64 1.173 4.313 -11.820 1.00 0.00 C ATOM 981 NZ LYS A 64 0.153 5.080 -11.052 1.00 0.00 N ATOM 0 H LYS A 64 2.188 5.449 -14.031 1.00 0.00 H new ATOM 0 HA LYS A 64 4.811 4.978 -14.088 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.454 3.151 -13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.073 2.484 -13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.583 3.036 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.626 4.336 -11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.704 5.227 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.671 5.780 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.905 4.310 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.173 3.275 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.783 4.649 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.394 5.062 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.135 6.065 -11.386 1.00 0.00 H new ATOM 995 N GLN A 65 5.576 4.062 -16.257 1.00 0.00 N ATOM 996 CA GLN A 65 6.108 3.450 -17.469 1.00 0.00 C ATOM 997 C GLN A 65 7.259 2.505 -17.142 1.00 0.00 C ATOM 998 O GLN A 65 7.818 2.547 -16.045 1.00 0.00 O ATOM 999 CB GLN A 65 6.579 4.529 -18.445 1.00 0.00 C ATOM 1000 CG GLN A 65 5.448 5.187 -19.218 1.00 0.00 C ATOM 1001 CD GLN A 65 5.155 4.487 -20.531 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.441 5.015 -21.606 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.581 3.293 -20.451 1.00 0.00 N ATOM 0 H GLN A 65 6.181 4.771 -15.842 1.00 0.00 H new ATOM 0 HA GLN A 65 5.310 2.872 -17.935 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.123 5.295 -17.892 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.281 4.086 -19.151 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.547 5.191 -18.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.705 6.228 -19.415 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.361 2.893 -19.539 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.360 2.776 -21.302 1.00 0.00 H new ATOM 1012 N HIS A 66 7.609 1.653 -18.100 1.00 0.00 N ATOM 1013 CA HIS A 66 8.695 0.697 -17.913 1.00 0.00 C ATOM 1014 C HIS A 66 9.649 0.720 -19.104 1.00 0.00 C ATOM 1015 O HIS A 66 9.285 0.329 -20.213 1.00 0.00 O ATOM 1016 CB HIS A 66 8.134 -0.713 -17.722 1.00 0.00 C ATOM 1017 CG HIS A 66 7.665 -1.349 -18.994 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.414 -1.129 -19.529 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.290 -2.202 -19.839 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.287 -1.821 -20.647 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.412 -2.480 -20.859 1.00 0.00 N ATOM 0 H HIS A 66 7.157 1.605 -19.013 1.00 0.00 H new ATOM 0 HA HIS A 66 9.249 0.984 -17.019 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.902 -1.343 -17.272 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.303 -0.672 -17.018 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.292 -2.591 -19.732 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.412 -1.844 -21.280 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.599 -3.095 -21.651 1.00 0.00 H new ATOM 1029 N CYS A 67 10.872 1.181 -18.866 1.00 0.00 N ATOM 1030 CA CYS A 67 11.879 1.257 -19.917 1.00 0.00 C ATOM 1031 C CYS A 67 11.931 -0.043 -20.715 1.00 0.00 C ATOM 1032 O CYS A 67 11.502 -1.093 -20.239 1.00 0.00 O ATOM 1033 CB CYS A 67 13.254 1.554 -19.315 1.00 0.00 C ATOM 1034 SG CYS A 67 14.408 2.372 -20.463 1.00 0.00 S ATOM 0 H CYS A 67 11.190 1.508 -17.954 1.00 0.00 H new ATOM 0 HA CYS A 67 11.603 2.067 -20.592 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.125 2.185 -18.436 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.699 0.619 -18.974 1.00 0.00 H new ATOM 1039 N ARG A 68 12.460 0.037 -21.932 1.00 0.00 N ATOM 1040 CA ARG A 68 12.568 -1.132 -22.797 1.00 0.00 C ATOM 1041 C ARG A 68 14.017 -1.595 -22.907 1.00 0.00 C ATOM 1042 O ARG A 68 14.298 -2.670 -23.437 1.00 0.00 O ATOM 1043 CB ARG A 68 12.015 -0.816 -24.188 1.00 0.00 C ATOM 1044 CG ARG A 68 12.932 0.065 -25.022 1.00 0.00 C ATOM 1045 CD ARG A 68 12.907 -0.337 -26.488 1.00 0.00 C ATOM 1046 NE ARG A 68 13.425 0.719 -27.354 1.00 0.00 N ATOM 1047 CZ ARG A 68 13.144 0.812 -28.649 1.00 0.00 C ATOM 1048 NH1 ARG A 68 12.354 -0.084 -29.225 1.00 0.00 N ATOM 1049 NH2 ARG A 68 13.653 1.802 -29.370 1.00 0.00 N ATOM 0 H ARG A 68 12.820 0.899 -22.341 1.00 0.00 H new ATOM 0 HA ARG A 68 11.981 -1.936 -22.354 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.839 -1.750 -24.721 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.049 -0.323 -24.082 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.626 1.107 -24.924 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.951 -0.005 -24.641 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.499 -1.242 -26.626 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.885 -0.577 -26.781 1.00 0.00 H new ATOM 0 HE ARG A 68 14.036 1.424 -26.942 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.961 -0.847 -28.673 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.140 -0.011 -30.220 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.261 2.493 -28.930 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.437 1.872 -30.364 1.00 0.00 H new ATOM 1063 N PHE A 69 14.935 -0.777 -22.403 1.00 0.00 N ATOM 1064 CA PHE A 69 16.356 -1.101 -22.446 1.00 0.00 C ATOM 1065 C PHE A 69 16.794 -1.798 -21.160 1.00 0.00 C ATOM 1066 O PHE A 69 17.526 -2.787 -21.195 1.00 0.00 O ATOM 1067 CB PHE A 69 17.184 0.167 -22.660 1.00 0.00 C ATOM 1068 CG PHE A 69 16.886 0.866 -23.955 1.00 0.00 C ATOM 1069 CD1 PHE A 69 15.829 1.757 -24.049 1.00 0.00 C ATOM 1070 CD2 PHE A 69 17.662 0.632 -25.079 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.552 2.403 -25.239 1.00 0.00 C ATOM 1072 CE2 PHE A 69 17.390 1.275 -26.272 1.00 0.00 C ATOM 1073 CZ PHE A 69 16.333 2.161 -26.352 1.00 0.00 C ATOM 0 H PHE A 69 14.720 0.116 -21.960 1.00 0.00 H new ATOM 0 HA PHE A 69 16.523 -1.780 -23.282 1.00 0.00 H new ATOM 0 HB2 PHE A 69 17.000 0.855 -21.835 1.00 0.00 H new ATOM 0 HB3 PHE A 69 18.243 -0.091 -22.631 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.214 1.949 -23.182 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.489 -0.061 -25.022 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.726 3.096 -25.298 1.00 0.00 H new ATOM 0 HE2 PHE A 69 18.003 1.085 -27.141 1.00 0.00 H new ATOM 0 HZ PHE A 69 16.118 2.664 -27.283 1.00 0.00 H new ATOM 1083 N CYS A 70 16.340 -1.273 -20.027 1.00 0.00 N ATOM 1084 CA CYS A 70 16.685 -1.841 -18.729 1.00 0.00 C ATOM 1085 C CYS A 70 15.429 -2.238 -17.958 1.00 0.00 C ATOM 1086 O CYS A 70 15.457 -2.387 -16.737 1.00 0.00 O ATOM 1087 CB CYS A 70 17.503 -0.840 -17.911 1.00 0.00 C ATOM 1088 SG CYS A 70 16.672 0.759 -17.645 1.00 0.00 S ATOM 0 H CYS A 70 15.732 -0.455 -19.981 1.00 0.00 H new ATOM 0 HA CYS A 70 17.284 -2.736 -18.900 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.735 -1.282 -16.942 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.453 -0.664 -18.416 1.00 0.00 H new ATOM 1093 N LYS A 71 14.327 -2.407 -18.681 1.00 0.00 N ATOM 1094 CA LYS A 71 13.060 -2.788 -18.068 1.00 0.00 C ATOM 1095 C LYS A 71 12.905 -2.143 -16.694 1.00 0.00 C ATOM 1096 O LYS A 71 12.495 -2.795 -15.733 1.00 0.00 O ATOM 1097 CB LYS A 71 12.967 -4.310 -17.942 1.00 0.00 C ATOM 1098 CG LYS A 71 12.663 -5.011 -19.255 1.00 0.00 C ATOM 1099 CD LYS A 71 13.930 -5.285 -20.048 1.00 0.00 C ATOM 1100 CE LYS A 71 13.750 -6.460 -20.997 1.00 0.00 C ATOM 1101 NZ LYS A 71 14.656 -6.364 -22.176 1.00 0.00 N ATOM 0 H LYS A 71 14.286 -2.286 -19.693 1.00 0.00 H new ATOM 0 HA LYS A 71 12.254 -2.433 -18.710 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.908 -4.692 -17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.191 -4.560 -17.218 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.147 -5.950 -19.056 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.987 -4.396 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.205 -4.396 -20.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.752 -5.492 -19.363 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.945 -7.391 -20.464 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.715 -6.498 -21.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.503 -7.183 -22.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.453 -5.488 -22.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.645 -6.354 -21.854 1.00 0.00 H new ATOM 1115 N LYS A 72 13.235 -0.859 -16.607 1.00 0.00 N ATOM 1116 CA LYS A 72 13.130 -0.125 -15.351 1.00 0.00 C ATOM 1117 C LYS A 72 11.856 0.713 -15.316 1.00 0.00 C ATOM 1118 O LYS A 72 11.591 1.497 -16.227 1.00 0.00 O ATOM 1119 CB LYS A 72 14.352 0.777 -15.161 1.00 0.00 C ATOM 1120 CG LYS A 72 14.624 1.134 -13.710 1.00 0.00 C ATOM 1121 CD LYS A 72 15.948 1.862 -13.554 1.00 0.00 C ATOM 1122 CE LYS A 72 17.125 0.903 -13.635 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.459 0.319 -12.307 1.00 0.00 N ATOM 0 H LYS A 72 13.578 -0.305 -17.392 1.00 0.00 H new ATOM 0 HA LYS A 72 13.090 -0.849 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.229 0.279 -15.574 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.208 1.695 -15.731 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.816 1.760 -13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.633 0.226 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.041 2.620 -14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.967 2.383 -12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.892 0.101 -14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.995 1.428 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.266 -0.329 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.706 1.082 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.638 -0.204 -11.941 1.00 0.00 H new ATOM 1137 N LYS A 73 11.072 0.544 -14.257 1.00 0.00 N ATOM 1138 CA LYS A 73 9.827 1.286 -14.100 1.00 0.00 C ATOM 1139 C LYS A 73 10.088 2.667 -13.507 1.00 0.00 C ATOM 1140 O LYS A 73 10.952 2.829 -12.645 1.00 0.00 O ATOM 1141 CB LYS A 73 8.856 0.511 -13.207 1.00 0.00 C ATOM 1142 CG LYS A 73 7.936 -0.422 -13.975 1.00 0.00 C ATOM 1143 CD LYS A 73 7.204 -1.375 -13.044 1.00 0.00 C ATOM 1144 CE LYS A 73 6.062 -2.083 -13.756 1.00 0.00 C ATOM 1145 NZ LYS A 73 6.542 -3.236 -14.567 1.00 0.00 N ATOM 0 H LYS A 73 11.277 -0.101 -13.494 1.00 0.00 H new ATOM 0 HA LYS A 73 9.381 1.412 -15.087 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.427 -0.070 -12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.251 1.220 -12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.211 0.164 -14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.517 -0.994 -14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.904 -2.114 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.814 -0.822 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.337 -2.433 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.543 -1.375 -14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.733 -3.691 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.214 -2.899 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.015 -3.924 -13.947 1.00 0.00 H new ATOM 1159 N TYR A 74 9.335 3.657 -13.972 1.00 0.00 N ATOM 1160 CA TYR A 74 9.486 5.024 -13.488 1.00 0.00 C ATOM 1161 C TYR A 74 8.148 5.586 -13.015 1.00 0.00 C ATOM 1162 O TYR A 74 7.197 5.690 -13.789 1.00 0.00 O ATOM 1163 CB TYR A 74 10.066 5.916 -14.587 1.00 0.00 C ATOM 1164 CG TYR A 74 11.567 5.804 -14.729 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.149 4.673 -15.288 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.403 6.829 -14.304 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.520 4.566 -15.419 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.775 6.731 -14.432 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.329 5.598 -14.990 1.00 0.00 C ATOM 1170 OH TYR A 74 15.695 5.496 -15.118 1.00 0.00 O ATOM 0 H TYR A 74 8.614 3.539 -14.684 1.00 0.00 H new ATOM 0 HA TYR A 74 10.173 5.008 -12.642 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.599 5.657 -15.537 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.806 6.953 -14.376 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.519 3.864 -15.626 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.973 7.718 -13.866 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.956 3.679 -15.855 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.410 7.537 -14.097 1.00 0.00 H new ATOM 0 HH TYR A 74 16.118 6.308 -14.769 1.00 0.00 H new ATOM 1180 N SER A 75 8.084 5.946 -11.737 1.00 0.00 N ATOM 1181 CA SER A 75 6.863 6.494 -11.158 1.00 0.00 C ATOM 1182 C SER A 75 6.143 7.392 -12.159 1.00 0.00 C ATOM 1183 O SER A 75 4.928 7.294 -12.335 1.00 0.00 O ATOM 1184 CB SER A 75 7.186 7.283 -9.887 1.00 0.00 C ATOM 1185 OG SER A 75 8.262 8.179 -10.103 1.00 0.00 O ATOM 0 H SER A 75 8.863 5.868 -11.083 1.00 0.00 H new ATOM 0 HA SER A 75 6.205 5.663 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.305 7.839 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.439 6.594 -9.082 1.00 0.00 H new ATOM 0 HG SER A 75 8.448 8.672 -9.277 1.00 0.00 H new ATOM 1191 N ASP A 76 6.900 8.266 -12.812 1.00 0.00 N ATOM 1192 CA ASP A 76 6.336 9.182 -13.796 1.00 0.00 C ATOM 1193 C ASP A 76 7.137 9.147 -15.094 1.00 0.00 C ATOM 1194 O ASP A 76 8.344 9.391 -15.097 1.00 0.00 O ATOM 1195 CB ASP A 76 6.305 10.607 -13.240 1.00 0.00 C ATOM 1196 CG ASP A 76 5.487 10.714 -11.968 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.519 9.939 -11.817 1.00 0.00 O ATOM 1198 OD2 ASP A 76 5.815 11.573 -11.123 1.00 0.00 O ATOM 0 H ASP A 76 7.907 8.360 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 76 5.316 8.862 -14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.324 10.939 -13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.891 11.279 -13.992 1.00 0.00 H new ATOM 1203 N VAL A 77 6.458 8.840 -16.195 1.00 0.00 N ATOM 1204 CA VAL A 77 7.107 8.772 -17.499 1.00 0.00 C ATOM 1205 C VAL A 77 8.082 9.928 -17.688 1.00 0.00 C ATOM 1206 O VAL A 77 9.210 9.736 -18.142 1.00 0.00 O ATOM 1207 CB VAL A 77 6.074 8.793 -18.641 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.240 10.065 -18.583 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.767 8.662 -19.988 1.00 0.00 C ATOM 0 H VAL A 77 5.459 8.635 -16.210 1.00 0.00 H new ATOM 0 HA VAL A 77 7.655 7.830 -17.532 1.00 0.00 H new ATOM 0 HB VAL A 77 5.405 7.942 -18.518 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.516 10.063 -19.397 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.714 10.112 -17.629 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.893 10.933 -18.681 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.022 8.679 -20.784 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.460 9.492 -20.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.316 7.721 -20.025 1.00 0.00 H new ATOM 1219 N LYS A 78 7.640 11.131 -17.337 1.00 0.00 N ATOM 1220 CA LYS A 78 8.474 12.320 -17.466 1.00 0.00 C ATOM 1221 C LYS A 78 9.942 11.985 -17.224 1.00 0.00 C ATOM 1222 O LYS A 78 10.809 12.337 -18.023 1.00 0.00 O ATOM 1223 CB LYS A 78 8.017 13.398 -16.480 1.00 0.00 C ATOM 1224 CG LYS A 78 6.819 14.197 -16.965 1.00 0.00 C ATOM 1225 CD LYS A 78 7.222 15.237 -17.996 1.00 0.00 C ATOM 1226 CE LYS A 78 7.903 16.432 -17.345 1.00 0.00 C ATOM 1227 NZ LYS A 78 6.917 17.377 -16.752 1.00 0.00 N ATOM 0 H LYS A 78 6.709 11.308 -16.961 1.00 0.00 H new ATOM 0 HA LYS A 78 8.369 12.698 -18.483 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.768 12.927 -15.529 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.846 14.080 -16.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.081 13.521 -17.398 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.342 14.689 -16.118 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.895 14.786 -18.725 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.339 15.572 -18.541 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.584 16.083 -16.569 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.506 16.955 -18.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.420 18.177 -16.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.283 17.730 -17.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.358 16.885 -16.026 1.00 0.00 H new ATOM 1241 N ASN A 79 10.213 11.301 -16.117 1.00 0.00 N ATOM 1242 CA ASN A 79 11.577 10.917 -15.771 1.00 0.00 C ATOM 1243 C ASN A 79 12.126 9.900 -16.768 1.00 0.00 C ATOM 1244 O ASN A 79 13.232 10.057 -17.286 1.00 0.00 O ATOM 1245 CB ASN A 79 11.622 10.336 -14.356 1.00 0.00 C ATOM 1246 CG ASN A 79 11.057 11.290 -13.322 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.579 12.387 -13.122 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.984 10.875 -12.658 1.00 0.00 N ATOM 0 H ASN A 79 9.507 11.001 -15.445 1.00 0.00 H new ATOM 0 HA ASN A 79 12.200 11.810 -15.810 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.059 9.403 -14.331 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.653 10.094 -14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.559 11.474 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.585 9.958 -12.857 1.00 0.00 H new ATOM 1255 N LEU A 80 11.345 8.859 -17.032 1.00 0.00 N ATOM 1256 CA LEU A 80 11.751 7.815 -17.968 1.00 0.00 C ATOM 1257 C LEU A 80 12.315 8.422 -19.248 1.00 0.00 C ATOM 1258 O LEU A 80 13.341 7.973 -19.760 1.00 0.00 O ATOM 1259 CB LEU A 80 10.564 6.909 -18.298 1.00 0.00 C ATOM 1260 CG LEU A 80 10.840 5.778 -19.290 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.770 4.744 -18.675 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.537 5.128 -19.733 1.00 0.00 C ATOM 0 H LEU A 80 10.427 8.715 -16.612 1.00 0.00 H new ATOM 0 HA LEU A 80 12.533 7.220 -17.495 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.198 6.470 -17.370 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.760 7.528 -18.697 1.00 0.00 H new ATOM 0 HG LEU A 80 11.329 6.201 -20.167 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.955 3.947 -19.395 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.714 5.218 -18.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.308 4.325 -17.781 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.752 4.326 -20.439 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.021 4.719 -18.865 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.904 5.874 -20.214 1.00 0.00 H new ATOM 1274 N ILE A 81 11.639 9.446 -19.759 1.00 0.00 N ATOM 1275 CA ILE A 81 12.074 10.116 -20.978 1.00 0.00 C ATOM 1276 C ILE A 81 13.531 10.556 -20.873 1.00 0.00 C ATOM 1277 O ILE A 81 14.362 10.197 -21.708 1.00 0.00 O ATOM 1278 CB ILE A 81 11.200 11.345 -21.288 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.722 10.949 -21.329 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.621 11.976 -22.607 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.384 9.991 -22.450 1.00 0.00 C ATOM 0 H ILE A 81 10.788 9.829 -19.348 1.00 0.00 H new ATOM 0 HA ILE A 81 11.972 9.394 -21.788 1.00 0.00 H new ATOM 0 HB ILE A 81 11.339 12.080 -20.495 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.450 10.492 -20.377 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.116 11.849 -21.436 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.994 12.843 -22.812 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.663 12.289 -22.544 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.508 11.249 -23.411 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.321 9.754 -22.418 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.624 10.452 -23.408 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.963 9.075 -22.333 1.00 0.00 H new ATOM 1293 N LYS A 82 13.835 11.335 -19.841 1.00 0.00 N ATOM 1294 CA LYS A 82 15.192 11.823 -19.623 1.00 0.00 C ATOM 1295 C LYS A 82 16.151 10.665 -19.366 1.00 0.00 C ATOM 1296 O LYS A 82 17.238 10.607 -19.941 1.00 0.00 O ATOM 1297 CB LYS A 82 15.222 12.796 -18.443 1.00 0.00 C ATOM 1298 CG LYS A 82 16.624 13.107 -17.946 1.00 0.00 C ATOM 1299 CD LYS A 82 16.630 13.430 -16.462 1.00 0.00 C ATOM 1300 CE LYS A 82 17.891 12.914 -15.784 1.00 0.00 C ATOM 1301 NZ LYS A 82 18.254 13.730 -14.593 1.00 0.00 N ATOM 0 H LYS A 82 13.159 11.642 -19.141 1.00 0.00 H new ATOM 0 HA LYS A 82 15.514 12.345 -20.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.735 13.726 -18.737 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.639 12.377 -17.623 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.276 12.255 -18.136 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.030 13.950 -18.505 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.556 14.509 -16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.754 12.987 -15.989 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.743 11.877 -15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.716 12.924 -16.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.118 13.346 -14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.421 14.714 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.477 13.700 -13.902 1.00 0.00 H new ATOM 1315 N HIS A 83 15.741 9.744 -18.499 1.00 0.00 N ATOM 1316 CA HIS A 83 16.564 8.586 -18.168 1.00 0.00 C ATOM 1317 C HIS A 83 17.155 7.961 -19.428 1.00 0.00 C ATOM 1318 O HIS A 83 18.351 7.675 -19.488 1.00 0.00 O ATOM 1319 CB HIS A 83 15.738 7.548 -17.408 1.00 0.00 C ATOM 1320 CG HIS A 83 16.188 6.138 -17.640 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.337 5.614 -17.087 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.634 5.141 -18.370 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.472 4.356 -17.468 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.452 4.045 -18.247 1.00 0.00 N ATOM 0 H HIS A 83 14.845 9.777 -18.013 1.00 0.00 H new ATOM 0 HA HIS A 83 17.383 8.923 -17.533 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.788 7.766 -16.341 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.693 7.640 -17.703 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.982 6.119 -16.479 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.720 5.197 -18.942 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.279 3.695 -17.190 1.00 0.00 H new ATOM 1332 N ILE A 84 16.309 7.751 -20.430 1.00 0.00 N ATOM 1333 CA ILE A 84 16.748 7.160 -21.688 1.00 0.00 C ATOM 1334 C ILE A 84 17.726 8.076 -22.415 1.00 0.00 C ATOM 1335 O ILE A 84 18.713 7.617 -22.989 1.00 0.00 O ATOM 1336 CB ILE A 84 15.555 6.862 -22.617 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.592 5.880 -21.947 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.045 6.307 -23.946 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.241 5.802 -22.624 1.00 0.00 C ATOM 0 H ILE A 84 15.316 7.981 -20.396 1.00 0.00 H new ATOM 0 HA ILE A 84 17.247 6.224 -21.439 1.00 0.00 H new ATOM 0 HB ILE A 84 15.021 7.793 -22.808 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.044 4.888 -21.940 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.452 6.174 -20.907 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.191 6.101 -24.591 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.696 7.037 -24.427 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.599 5.385 -23.773 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.610 5.087 -22.096 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.769 6.784 -22.608 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.370 5.479 -23.657 1.00 0.00 H new ATOM 1351 N ARG A 85 17.447 9.375 -22.383 1.00 0.00 N ATOM 1352 CA ARG A 85 18.303 10.357 -23.037 1.00 0.00 C ATOM 1353 C ARG A 85 19.692 10.375 -22.405 1.00 0.00 C ATOM 1354 O ARG A 85 20.673 10.744 -23.050 1.00 0.00 O ATOM 1355 CB ARG A 85 17.675 11.749 -22.953 1.00 0.00 C ATOM 1356 CG ARG A 85 16.232 11.796 -23.429 1.00 0.00 C ATOM 1357 CD ARG A 85 16.144 12.133 -24.909 1.00 0.00 C ATOM 1358 NE ARG A 85 16.155 13.575 -25.144 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.485 14.128 -26.305 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.829 13.365 -27.333 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.470 15.448 -26.441 1.00 0.00 N ATOM 0 H ARG A 85 16.635 9.772 -21.911 1.00 0.00 H new ATOM 0 HA ARG A 85 18.403 10.074 -24.085 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.720 12.097 -21.921 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.268 12.443 -23.549 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.756 10.833 -23.245 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.682 12.539 -22.852 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.980 11.674 -25.436 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.232 11.705 -25.325 1.00 0.00 H new ATOM 0 HE ARG A 85 15.895 14.191 -24.374 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.841 12.350 -27.233 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.082 13.793 -28.224 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.205 16.039 -25.653 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.724 15.872 -27.333 1.00 0.00 H new ATOM 1375 N ASP A 86 19.765 9.975 -21.140 1.00 0.00 N ATOM 1376 CA ASP A 86 21.033 9.944 -20.421 1.00 0.00 C ATOM 1377 C ASP A 86 21.653 8.551 -20.471 1.00 0.00 C ATOM 1378 O ASP A 86 22.708 8.352 -21.072 1.00 0.00 O ATOM 1379 CB ASP A 86 20.829 10.374 -18.967 1.00 0.00 C ATOM 1380 CG ASP A 86 20.866 11.880 -18.798 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.979 12.444 -18.742 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.781 12.494 -18.721 1.00 0.00 O ATOM 0 H ASP A 86 18.961 9.668 -20.592 1.00 0.00 H new ATOM 0 HA ASP A 86 21.715 10.642 -20.906 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.872 9.995 -18.610 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.602 9.922 -18.346 1.00 0.00 H new ATOM 1387 N ALA A 87 20.991 7.591 -19.833 1.00 0.00 N ATOM 1388 CA ALA A 87 21.476 6.217 -19.806 1.00 0.00 C ATOM 1389 C ALA A 87 21.577 5.642 -21.215 1.00 0.00 C ATOM 1390 O ALA A 87 22.621 5.124 -21.611 1.00 0.00 O ATOM 1391 CB ALA A 87 20.566 5.353 -18.945 1.00 0.00 C ATOM 0 H ALA A 87 20.117 7.740 -19.328 1.00 0.00 H new ATOM 0 HA ALA A 87 22.475 6.219 -19.371 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.940 4.329 -18.934 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.549 5.744 -17.928 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.557 5.366 -19.356 1.00 0.00 H new ATOM 1397 N HIS A 88 20.485 5.737 -21.967 1.00 0.00 N ATOM 1398 CA HIS A 88 20.451 5.226 -23.333 1.00 0.00 C ATOM 1399 C HIS A 88 20.468 6.370 -24.342 1.00 0.00 C ATOM 1400 O HIS A 88 19.746 6.343 -25.338 1.00 0.00 O ATOM 1401 CB HIS A 88 19.208 4.361 -23.545 1.00 0.00 C ATOM 1402 CG HIS A 88 18.880 3.486 -22.375 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.676 2.434 -21.976 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.835 3.512 -21.516 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.134 1.849 -20.922 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.016 2.485 -20.623 1.00 0.00 N ATOM 0 H HIS A 88 19.613 6.163 -21.654 1.00 0.00 H new ATOM 0 HA HIS A 88 21.340 4.615 -23.489 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.356 5.008 -23.754 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.357 3.736 -24.425 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.547 2.151 -22.424 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.012 4.211 -21.530 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.537 0.996 -20.395 1.00 0.00 H new ATOM 1414 N ASP A 89 21.296 7.374 -24.076 1.00 0.00 N ATOM 1415 CA ASP A 89 21.408 8.528 -24.961 1.00 0.00 C ATOM 1416 C ASP A 89 21.740 8.091 -26.384 1.00 0.00 C ATOM 1417 O ASP A 89 22.819 7.567 -26.663 1.00 0.00 O ATOM 1418 CB ASP A 89 22.479 9.491 -24.446 1.00 0.00 C ATOM 1419 CG ASP A 89 23.866 9.131 -24.941 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.182 9.454 -26.105 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.636 8.527 -24.165 1.00 0.00 O ATOM 0 H ASP A 89 21.900 7.412 -23.255 1.00 0.00 H new ATOM 0 HA ASP A 89 20.446 9.041 -24.973 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.235 10.505 -24.763 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.473 9.488 -23.356 1.00 0.00 H new ATOM 1426 N PRO A 90 20.792 8.310 -27.307 1.00 0.00 N ATOM 1427 CA PRO A 90 20.961 7.946 -28.717 1.00 0.00 C ATOM 1428 C PRO A 90 21.989 8.823 -29.423 1.00 0.00 C ATOM 1429 O PRO A 90 22.354 9.888 -28.927 1.00 0.00 O ATOM 1430 CB PRO A 90 19.568 8.170 -29.311 1.00 0.00 C ATOM 1431 CG PRO A 90 18.938 9.187 -28.424 1.00 0.00 C ATOM 1432 CD PRO A 90 19.482 8.930 -27.046 1.00 0.00 C ATOM 0 HA PRO A 90 21.330 6.927 -28.833 1.00 0.00 H new ATOM 0 HB2 PRO A 90 19.629 8.525 -30.340 1.00 0.00 H new ATOM 0 HB3 PRO A 90 18.991 7.246 -29.326 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.179 10.197 -28.756 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.852 9.097 -28.438 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.581 9.853 -26.474 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.831 8.269 -26.474 1.00 0.00 H new ATOM 1440 N GLN A 91 22.451 8.368 -30.584 1.00 0.00 N ATOM 1441 CA GLN A 91 23.437 9.113 -31.357 1.00 0.00 C ATOM 1442 C GLN A 91 22.756 10.049 -32.350 1.00 0.00 C ATOM 1443 O GLN A 91 22.360 9.634 -33.439 1.00 0.00 O ATOM 1444 CB GLN A 91 24.366 8.151 -32.100 1.00 0.00 C ATOM 1445 CG GLN A 91 23.644 7.248 -33.086 1.00 0.00 C ATOM 1446 CD GLN A 91 24.444 6.009 -33.437 1.00 0.00 C ATOM 1447 OE1 GLN A 91 25.645 5.936 -33.174 1.00 0.00 O ATOM 1448 NE2 GLN A 91 23.782 5.025 -34.034 1.00 0.00 N ATOM 0 H GLN A 91 22.158 7.488 -31.009 1.00 0.00 H new ATOM 0 HA GLN A 91 24.026 9.714 -30.664 1.00 0.00 H new ATOM 0 HB2 GLN A 91 25.121 8.728 -32.634 1.00 0.00 H new ATOM 0 HB3 GLN A 91 24.893 7.533 -31.373 1.00 0.00 H new ATOM 0 HG2 GLN A 91 22.685 6.949 -32.664 1.00 0.00 H new ATOM 0 HG3 GLN A 91 23.431 7.808 -33.996 1.00 0.00 H new ATOM 0 HE21 GLN A 91 22.787 5.127 -34.233 1.00 0.00 H new ATOM 0 HE22 GLN A 91 24.269 4.167 -34.293 1.00 0.00 H new ATOM 1457 N ASP A 92 22.623 11.314 -31.967 1.00 0.00 N ATOM 1458 CA ASP A 92 21.990 12.310 -32.824 1.00 0.00 C ATOM 1459 C ASP A 92 22.806 13.599 -32.854 1.00 0.00 C ATOM 1460 O ASP A 92 23.531 13.875 -31.899 1.00 0.00 O ATOM 1461 CB ASP A 92 20.569 12.603 -32.339 1.00 0.00 C ATOM 1462 CG ASP A 92 19.823 11.345 -31.942 1.00 0.00 C ATOM 1463 OD1 ASP A 92 20.337 10.595 -31.084 1.00 0.00 O ATOM 1464 OD2 ASP A 92 18.725 11.109 -32.487 1.00 0.00 O ATOM 0 H ASP A 92 22.945 11.674 -31.069 1.00 0.00 H new ATOM 0 HA ASP A 92 21.944 11.906 -33.835 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.612 13.281 -31.487 1.00 0.00 H new ATOM 0 HB3 ASP A 92 20.018 13.116 -33.127 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -3.651 -21.995 -35.893 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -5.129 1.557 -23.903 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.472 2.222 -19.275 1.00 0.00 ZN