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 36 LYS NZ :NH3+ 137:sc= -0.683 (180deg=-2.96!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 TYR OH : rot 130:sc= -0.565 USER MOD Set 2.2: A 19 SER OG : rot 85:sc= -0.223 USER MOD Set 2.3: A 24 ASN : amide:sc= -1.28 X(o=-2.1,f=-2.5) 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 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+ 161:sc= 1.16 (180deg=0.896) USER MOD Single : A 14 GLN : amide:sc= -0.759 K(o=-0.76,f=-2.6!) 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= 0.259 K(o=0.26,f=-0.83) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -93:sc= 1.25 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= -0.321 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 0.331 (180deg=0.00281) USER MOD Single : A 51 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=0) 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+ -158:sc= -0.0463 (180deg=-0.276) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0373 (180deg=-0.307) USER MOD Single : A 65 GLN : amide:sc= -0.631 K(o=-0.63,f=-3.4!) USER MOD Single : A 66 HIS : no HD1:sc= -2.28! K(o=-2.3!,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.639) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00654 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= -0.0483 X(o=-0.048,f=-0.048) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.403 -10.455 -64.529 1.00 0.00 N ATOM 2 CA GLY A 1 -6.168 -9.140 -65.096 1.00 0.00 C ATOM 3 C GLY A 1 -6.315 -8.032 -64.072 1.00 0.00 C ATOM 4 O GLY A 1 -5.724 -8.092 -62.994 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.291 -11.177 -65.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.719 -10.631 -63.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.369 -10.500 -64.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.165 -9.106 -65.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.868 -8.970 -65.914 1.00 0.00 H new ATOM 8 N SER A 2 -7.105 -7.017 -64.409 1.00 0.00 N ATOM 9 CA SER A 2 -7.323 -5.888 -63.513 1.00 0.00 C ATOM 10 C SER A 2 -8.087 -6.323 -62.267 1.00 0.00 C ATOM 11 O SER A 2 -8.921 -7.227 -62.321 1.00 0.00 O ATOM 12 CB SER A 2 -8.090 -4.778 -64.234 1.00 0.00 C ATOM 13 OG SER A 2 -9.422 -5.176 -64.511 1.00 0.00 O ATOM 0 H SER A 2 -7.604 -6.954 -65.296 1.00 0.00 H new ATOM 0 HA SER A 2 -6.349 -5.506 -63.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.096 -3.878 -63.620 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.582 -4.525 -65.164 1.00 0.00 H new ATOM 0 HG SER A 2 -9.892 -4.449 -64.970 1.00 0.00 H new ATOM 19 N SER A 3 -7.796 -5.674 -61.144 1.00 0.00 N ATOM 20 CA SER A 3 -8.452 -5.995 -59.882 1.00 0.00 C ATOM 21 C SER A 3 -8.204 -4.902 -58.847 1.00 0.00 C ATOM 22 O SER A 3 -7.095 -4.383 -58.729 1.00 0.00 O ATOM 23 CB SER A 3 -7.951 -7.339 -59.351 1.00 0.00 C ATOM 24 OG SER A 3 -8.779 -7.814 -58.303 1.00 0.00 O ATOM 0 H SER A 3 -7.110 -4.922 -61.083 1.00 0.00 H new ATOM 0 HA SER A 3 -9.525 -6.061 -60.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.930 -8.068 -60.161 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.928 -7.233 -58.991 1.00 0.00 H new ATOM 0 HG SER A 3 -8.439 -8.675 -57.982 1.00 0.00 H new ATOM 30 N GLY A 4 -9.248 -4.557 -58.099 1.00 0.00 N ATOM 31 CA GLY A 4 -9.124 -3.527 -57.084 1.00 0.00 C ATOM 32 C GLY A 4 -10.097 -2.385 -57.295 1.00 0.00 C ATOM 33 O GLY A 4 -10.359 -1.985 -58.429 1.00 0.00 O ATOM 0 H GLY A 4 -10.176 -4.972 -58.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.293 -3.967 -56.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.106 -3.138 -57.088 1.00 0.00 H new ATOM 37 N SER A 5 -10.637 -1.859 -56.200 1.00 0.00 N ATOM 38 CA SER A 5 -11.591 -0.759 -56.271 1.00 0.00 C ATOM 39 C SER A 5 -10.891 0.582 -56.070 1.00 0.00 C ATOM 40 O SER A 5 -9.759 0.637 -55.591 1.00 0.00 O ATOM 41 CB SER A 5 -12.687 -0.938 -55.218 1.00 0.00 C ATOM 42 OG SER A 5 -12.130 -1.125 -53.929 1.00 0.00 O ATOM 0 H SER A 5 -10.430 -2.177 -55.253 1.00 0.00 H new ATOM 0 HA SER A 5 -12.044 -0.767 -57.262 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.337 -0.063 -55.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.308 -1.795 -55.477 1.00 0.00 H new ATOM 0 HG SER A 5 -12.851 -1.235 -53.274 1.00 0.00 H new ATOM 48 N SER A 6 -11.574 1.661 -56.439 1.00 0.00 N ATOM 49 CA SER A 6 -11.018 3.002 -56.304 1.00 0.00 C ATOM 50 C SER A 6 -10.607 3.276 -54.860 1.00 0.00 C ATOM 51 O SER A 6 -11.434 3.244 -53.950 1.00 0.00 O ATOM 52 CB SER A 6 -12.035 4.048 -56.764 1.00 0.00 C ATOM 53 OG SER A 6 -11.595 5.358 -56.451 1.00 0.00 O ATOM 0 H SER A 6 -12.514 1.632 -56.834 1.00 0.00 H new ATOM 0 HA SER A 6 -10.131 3.066 -56.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.191 3.960 -57.839 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.997 3.860 -56.286 1.00 0.00 H new ATOM 0 HG SER A 6 -12.261 6.009 -56.756 1.00 0.00 H new ATOM 59 N GLY A 7 -9.320 3.545 -54.659 1.00 0.00 N ATOM 60 CA GLY A 7 -8.820 3.821 -53.324 1.00 0.00 C ATOM 61 C GLY A 7 -8.937 5.285 -52.952 1.00 0.00 C ATOM 62 O GLY A 7 -9.913 5.947 -53.305 1.00 0.00 O ATOM 0 H GLY A 7 -8.615 3.577 -55.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.372 3.221 -52.601 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.776 3.516 -53.260 1.00 0.00 H new ATOM 66 N LYS A 8 -7.940 5.794 -52.236 1.00 0.00 N ATOM 67 CA LYS A 8 -7.934 7.190 -51.815 1.00 0.00 C ATOM 68 C LYS A 8 -6.625 7.869 -52.202 1.00 0.00 C ATOM 69 O LYS A 8 -5.663 7.901 -51.433 1.00 0.00 O ATOM 70 CB LYS A 8 -8.145 7.288 -50.302 1.00 0.00 C ATOM 71 CG LYS A 8 -9.368 6.536 -49.808 1.00 0.00 C ATOM 72 CD LYS A 8 -9.239 6.163 -48.341 1.00 0.00 C ATOM 73 CE LYS A 8 -8.349 4.944 -48.152 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.587 4.280 -46.841 1.00 0.00 N ATOM 0 H LYS A 8 -7.125 5.260 -51.935 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.752 7.701 -52.324 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.261 6.901 -49.795 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.238 8.338 -50.024 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.257 7.151 -49.951 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.506 5.633 -50.403 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.827 7.005 -47.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.227 5.961 -47.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.532 4.233 -48.958 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.303 5.244 -48.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.961 3.454 -46.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.388 4.950 -46.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.578 3.971 -46.783 1.00 0.00 H new ATOM 88 N PRO A 9 -6.584 8.427 -53.421 1.00 0.00 N ATOM 89 CA PRO A 9 -5.398 9.118 -53.936 1.00 0.00 C ATOM 90 C PRO A 9 -5.138 10.437 -53.216 1.00 0.00 C ATOM 91 O PRO A 9 -3.988 10.810 -52.981 1.00 0.00 O ATOM 92 CB PRO A 9 -5.745 9.370 -55.405 1.00 0.00 C ATOM 93 CG PRO A 9 -7.234 9.396 -55.444 1.00 0.00 C ATOM 94 CD PRO A 9 -7.693 8.427 -54.390 1.00 0.00 C ATOM 0 HA PRO A 9 -4.490 8.532 -53.793 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.323 10.312 -55.755 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.346 8.584 -56.046 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.612 10.398 -55.244 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.604 9.107 -56.428 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.628 8.746 -53.930 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.864 7.434 -54.805 1.00 0.00 H new ATOM 102 N TYR A 10 -6.211 11.138 -52.869 1.00 0.00 N ATOM 103 CA TYR A 10 -6.098 12.417 -52.178 1.00 0.00 C ATOM 104 C TYR A 10 -5.510 12.231 -50.782 1.00 0.00 C ATOM 105 O TYR A 10 -6.217 11.871 -49.840 1.00 0.00 O ATOM 106 CB TYR A 10 -7.467 13.091 -52.081 1.00 0.00 C ATOM 107 CG TYR A 10 -8.235 13.092 -53.384 1.00 0.00 C ATOM 108 CD1 TYR A 10 -7.596 12.833 -54.590 1.00 0.00 C ATOM 109 CD2 TYR A 10 -9.600 13.352 -53.408 1.00 0.00 C ATOM 110 CE1 TYR A 10 -8.294 12.833 -55.782 1.00 0.00 C ATOM 111 CE2 TYR A 10 -10.306 13.353 -54.596 1.00 0.00 C ATOM 112 CZ TYR A 10 -9.648 13.093 -55.780 1.00 0.00 C ATOM 113 OH TYR A 10 -10.347 13.093 -56.966 1.00 0.00 O ATOM 0 H TYR A 10 -7.169 10.842 -53.055 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.427 13.054 -52.754 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.060 12.583 -51.320 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.333 14.120 -51.747 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.536 12.628 -54.596 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.118 13.557 -52.483 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.782 12.630 -56.711 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.367 13.556 -54.597 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.290 13.293 -56.790 1.00 0.00 H new ATOM 123 N LYS A 11 -4.212 12.481 -50.656 1.00 0.00 N ATOM 124 CA LYS A 11 -3.526 12.345 -49.376 1.00 0.00 C ATOM 125 C LYS A 11 -3.478 13.679 -48.640 1.00 0.00 C ATOM 126 O LYS A 11 -3.468 14.743 -49.261 1.00 0.00 O ATOM 127 CB LYS A 11 -2.106 11.816 -49.589 1.00 0.00 C ATOM 128 CG LYS A 11 -2.004 10.302 -49.521 1.00 0.00 C ATOM 129 CD LYS A 11 -2.217 9.667 -50.885 1.00 0.00 C ATOM 130 CE LYS A 11 -1.892 8.181 -50.865 1.00 0.00 C ATOM 131 NZ LYS A 11 -3.080 7.359 -50.506 1.00 0.00 N ATOM 0 H LYS A 11 -3.613 12.779 -51.425 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.084 11.634 -48.767 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.744 12.153 -50.560 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.449 12.250 -48.836 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.024 10.019 -49.136 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.745 9.918 -48.820 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.252 9.810 -51.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.590 10.168 -51.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.522 7.877 -51.844 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.091 7.994 -50.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.926 6.376 -50.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.223 7.387 -49.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.922 7.739 -50.983 1.00 0.00 H new ATOM 145 N CYS A 12 -3.447 13.617 -47.313 1.00 0.00 N ATOM 146 CA CYS A 12 -3.398 14.820 -46.491 1.00 0.00 C ATOM 147 C CYS A 12 -1.962 15.308 -46.325 1.00 0.00 C ATOM 148 O CYS A 12 -1.083 14.582 -45.859 1.00 0.00 O ATOM 149 CB CYS A 12 -4.019 14.551 -45.119 1.00 0.00 C ATOM 150 SG CYS A 12 -4.040 16.000 -44.015 1.00 0.00 S ATOM 0 H CYS A 12 -3.455 12.745 -46.784 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.971 15.598 -46.996 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.041 14.198 -45.258 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.467 13.746 -44.634 1.00 0.00 H new ATOM 155 N PRO A 13 -1.716 16.568 -46.715 1.00 0.00 N ATOM 156 CA PRO A 13 -0.389 17.181 -46.619 1.00 0.00 C ATOM 157 C PRO A 13 0.025 17.444 -45.175 1.00 0.00 C ATOM 158 O PRO A 13 1.111 17.963 -44.916 1.00 0.00 O ATOM 159 CB PRO A 13 -0.552 18.501 -47.377 1.00 0.00 C ATOM 160 CG PRO A 13 -2.005 18.815 -47.282 1.00 0.00 C ATOM 161 CD PRO A 13 -2.716 17.490 -47.280 1.00 0.00 C ATOM 0 HA PRO A 13 0.389 16.534 -47.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.054 19.291 -46.932 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.235 18.403 -48.415 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.224 19.377 -46.374 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.327 19.429 -48.123 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.622 17.521 -46.674 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.015 17.192 -48.285 1.00 0.00 H new ATOM 169 N GLN A 14 -0.846 17.082 -44.239 1.00 0.00 N ATOM 170 CA GLN A 14 -0.570 17.279 -42.821 1.00 0.00 C ATOM 171 C GLN A 14 -0.338 15.944 -42.121 1.00 0.00 C ATOM 172 O GLN A 14 0.448 15.855 -41.177 1.00 0.00 O ATOM 173 CB GLN A 14 -1.727 18.024 -42.154 1.00 0.00 C ATOM 174 CG GLN A 14 -2.113 19.311 -42.866 1.00 0.00 C ATOM 175 CD GLN A 14 -2.927 20.242 -41.988 1.00 0.00 C ATOM 176 OE1 GLN A 14 -4.033 20.645 -42.348 1.00 0.00 O ATOM 177 NE2 GLN A 14 -2.381 20.589 -40.828 1.00 0.00 N ATOM 0 H GLN A 14 -1.749 16.651 -44.437 1.00 0.00 H new ATOM 0 HA GLN A 14 0.337 17.877 -42.733 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.596 17.367 -42.113 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.454 18.256 -41.125 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.210 19.825 -43.195 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.686 19.069 -43.761 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.461 20.231 -40.570 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.881 21.213 -40.195 1.00 0.00 H new ATOM 186 N CYS A 15 -1.027 14.909 -42.588 1.00 0.00 N ATOM 187 CA CYS A 15 -0.897 13.578 -42.007 1.00 0.00 C ATOM 188 C CYS A 15 -1.007 12.501 -43.083 1.00 0.00 C ATOM 189 O CYS A 15 -1.091 12.805 -44.273 1.00 0.00 O ATOM 190 CB CYS A 15 -1.971 13.359 -40.939 1.00 0.00 C ATOM 191 SG CYS A 15 -3.599 12.888 -41.607 1.00 0.00 S ATOM 0 H CYS A 15 -1.682 14.966 -43.368 1.00 0.00 H new ATOM 0 HA CYS A 15 0.087 13.505 -41.544 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.633 12.582 -40.253 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.080 14.273 -40.356 1.00 0.00 H new ATOM 196 N SER A 16 -1.007 11.243 -42.655 1.00 0.00 N ATOM 197 CA SER A 16 -1.103 10.121 -43.581 1.00 0.00 C ATOM 198 C SER A 16 -2.561 9.773 -43.864 1.00 0.00 C ATOM 199 O SER A 16 -2.923 8.601 -43.966 1.00 0.00 O ATOM 200 CB SER A 16 -0.377 8.900 -43.013 1.00 0.00 C ATOM 201 OG SER A 16 0.992 8.903 -43.382 1.00 0.00 O ATOM 0 H SER A 16 -0.942 10.975 -41.673 1.00 0.00 H new ATOM 0 HA SER A 16 -0.629 10.414 -44.518 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.464 8.894 -41.926 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.853 7.989 -43.376 1.00 0.00 H new ATOM 0 HG SER A 16 1.434 8.114 -43.005 1.00 0.00 H new ATOM 207 N TYR A 17 -3.394 10.800 -43.989 1.00 0.00 N ATOM 208 CA TYR A 17 -4.814 10.605 -44.258 1.00 0.00 C ATOM 209 C TYR A 17 -5.080 10.532 -45.758 1.00 0.00 C ATOM 210 O TYR A 17 -4.281 11.008 -46.565 1.00 0.00 O ATOM 211 CB TYR A 17 -5.632 11.739 -43.638 1.00 0.00 C ATOM 212 CG TYR A 17 -7.075 11.762 -44.090 1.00 0.00 C ATOM 213 CD1 TYR A 17 -8.013 10.903 -43.531 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.499 12.642 -45.078 1.00 0.00 C ATOM 215 CE1 TYR A 17 -9.332 10.920 -43.942 1.00 0.00 C ATOM 216 CE2 TYR A 17 -8.816 12.667 -45.494 1.00 0.00 C ATOM 217 CZ TYR A 17 -9.728 11.804 -44.924 1.00 0.00 C ATOM 218 OH TYR A 17 -11.041 11.825 -45.337 1.00 0.00 O ATOM 0 H TYR A 17 -3.110 11.776 -43.908 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.116 9.659 -43.808 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.602 11.646 -42.552 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.166 12.692 -43.890 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.706 10.210 -42.762 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.787 13.318 -45.528 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.048 10.245 -43.497 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.130 13.359 -46.262 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.373 12.747 -45.324 1.00 0.00 H new ATOM 228 N ALA A 18 -6.208 9.934 -46.124 1.00 0.00 N ATOM 229 CA ALA A 18 -6.582 9.801 -47.527 1.00 0.00 C ATOM 230 C ALA A 18 -8.098 9.761 -47.689 1.00 0.00 C ATOM 231 O ALA A 18 -8.820 9.361 -46.776 1.00 0.00 O ATOM 232 CB ALA A 18 -5.953 8.551 -48.124 1.00 0.00 C ATOM 0 H ALA A 18 -6.879 9.534 -45.469 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.208 10.674 -48.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.240 8.464 -49.172 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.868 8.619 -48.050 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.300 7.673 -47.579 1.00 0.00 H new ATOM 238 N SER A 19 -8.574 10.181 -48.857 1.00 0.00 N ATOM 239 CA SER A 19 -10.005 10.198 -49.138 1.00 0.00 C ATOM 240 C SER A 19 -10.266 10.491 -50.612 1.00 0.00 C ATOM 241 O SER A 19 -9.989 11.588 -51.096 1.00 0.00 O ATOM 242 CB SER A 19 -10.705 11.243 -48.266 1.00 0.00 C ATOM 243 OG SER A 19 -12.029 10.844 -47.957 1.00 0.00 O ATOM 0 H SER A 19 -7.990 10.514 -49.624 1.00 0.00 H new ATOM 0 HA SER A 19 -10.408 9.212 -48.905 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.141 11.389 -47.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.722 12.202 -48.785 1.00 0.00 H new ATOM 0 HG SER A 19 -12.019 10.256 -47.173 1.00 0.00 H new ATOM 249 N ALA A 20 -10.802 9.502 -51.320 1.00 0.00 N ATOM 250 CA ALA A 20 -11.103 9.653 -52.738 1.00 0.00 C ATOM 251 C ALA A 20 -12.006 10.858 -52.982 1.00 0.00 C ATOM 252 O ALA A 20 -11.966 11.469 -54.050 1.00 0.00 O ATOM 253 CB ALA A 20 -11.752 8.387 -53.278 1.00 0.00 C ATOM 0 H ALA A 20 -11.037 8.587 -50.934 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.165 9.821 -53.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.971 8.514 -54.338 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.072 7.545 -53.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.678 8.194 -52.737 1.00 0.00 H new ATOM 259 N ILE A 21 -12.819 11.194 -51.986 1.00 0.00 N ATOM 260 CA ILE A 21 -13.731 12.325 -52.093 1.00 0.00 C ATOM 261 C ILE A 21 -12.991 13.647 -51.914 1.00 0.00 C ATOM 262 O ILE A 21 -12.337 13.872 -50.896 1.00 0.00 O ATOM 263 CB ILE A 21 -14.862 12.238 -51.051 1.00 0.00 C ATOM 264 CG1 ILE A 21 -15.643 10.934 -51.223 1.00 0.00 C ATOM 265 CG2 ILE A 21 -15.789 13.438 -51.175 1.00 0.00 C ATOM 266 CD1 ILE A 21 -16.285 10.441 -49.945 1.00 0.00 C ATOM 0 H ILE A 21 -12.864 10.698 -51.096 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.165 12.286 -53.092 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.421 12.246 -50.054 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -16.417 11.080 -51.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.971 10.165 -51.603 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -16.583 13.363 -50.432 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -15.222 14.354 -51.009 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -16.226 13.458 -52.173 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -16.822 9.513 -50.142 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -15.514 10.262 -49.196 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -16.983 11.192 -49.575 1.00 0.00 H new ATOM 278 N LYS A 22 -13.100 14.519 -52.910 1.00 0.00 N ATOM 279 CA LYS A 22 -12.445 15.821 -52.863 1.00 0.00 C ATOM 280 C LYS A 22 -12.906 16.619 -51.648 1.00 0.00 C ATOM 281 O LYS A 22 -12.089 17.134 -50.886 1.00 0.00 O ATOM 282 CB LYS A 22 -12.735 16.608 -54.143 1.00 0.00 C ATOM 283 CG LYS A 22 -11.610 17.543 -54.551 1.00 0.00 C ATOM 284 CD LYS A 22 -10.402 16.774 -55.060 1.00 0.00 C ATOM 285 CE LYS A 22 -9.623 17.578 -56.089 1.00 0.00 C ATOM 286 NZ LYS A 22 -8.189 17.177 -56.136 1.00 0.00 N ATOM 0 H LYS A 22 -13.636 14.348 -53.761 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.371 15.656 -52.781 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.926 15.907 -54.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.646 17.189 -54.003 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.963 18.222 -55.327 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.319 18.157 -53.699 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.750 16.523 -54.223 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.728 15.833 -55.503 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.071 17.440 -57.073 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.696 18.639 -55.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.692 17.748 -56.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.754 17.332 -55.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.118 16.170 -56.387 1.00 0.00 H new ATOM 300 N ALA A 23 -14.220 16.715 -51.473 1.00 0.00 N ATOM 301 CA ALA A 23 -14.789 17.447 -50.348 1.00 0.00 C ATOM 302 C ALA A 23 -14.246 16.925 -49.022 1.00 0.00 C ATOM 303 O ALA A 23 -13.973 17.699 -48.105 1.00 0.00 O ATOM 304 CB ALA A 23 -16.308 17.354 -50.372 1.00 0.00 C ATOM 0 H ALA A 23 -14.910 16.295 -52.096 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.498 18.493 -50.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.720 17.905 -49.526 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.684 17.782 -51.301 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -16.610 16.309 -50.305 1.00 0.00 H new ATOM 310 N ASN A 24 -14.091 15.608 -48.928 1.00 0.00 N ATOM 311 CA ASN A 24 -13.582 14.983 -47.713 1.00 0.00 C ATOM 312 C ASN A 24 -12.258 15.614 -47.292 1.00 0.00 C ATOM 313 O ASN A 24 -12.167 16.248 -46.240 1.00 0.00 O ATOM 314 CB ASN A 24 -13.398 13.479 -47.927 1.00 0.00 C ATOM 315 CG ASN A 24 -14.660 12.695 -47.625 1.00 0.00 C ATOM 316 OD1 ASN A 24 -15.755 13.073 -48.044 1.00 0.00 O ATOM 317 ND2 ASN A 24 -14.513 11.595 -46.895 1.00 0.00 N ATOM 0 H ASN A 24 -14.311 14.953 -49.679 1.00 0.00 H new ATOM 0 HA ASN A 24 -14.310 15.143 -46.918 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -13.097 13.295 -48.958 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.589 13.120 -47.290 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.326 11.026 -46.661 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.587 11.319 -46.569 1.00 0.00 H new ATOM 324 N LEU A 25 -11.234 15.434 -48.119 1.00 0.00 N ATOM 325 CA LEU A 25 -9.914 15.986 -47.833 1.00 0.00 C ATOM 326 C LEU A 25 -10.027 17.376 -47.215 1.00 0.00 C ATOM 327 O LEU A 25 -9.320 17.701 -46.262 1.00 0.00 O ATOM 328 CB LEU A 25 -9.078 16.051 -49.112 1.00 0.00 C ATOM 329 CG LEU A 25 -7.605 16.420 -48.934 1.00 0.00 C ATOM 330 CD1 LEU A 25 -6.925 15.456 -47.975 1.00 0.00 C ATOM 331 CD2 LEU A 25 -6.892 16.430 -50.278 1.00 0.00 C ATOM 0 H LEU A 25 -11.292 14.910 -48.992 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.421 15.329 -47.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.131 15.081 -49.607 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.535 16.777 -49.784 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.550 17.422 -48.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.877 15.735 -47.861 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.420 15.499 -47.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.990 14.443 -48.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.845 16.695 -50.132 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.957 15.441 -50.732 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.363 17.162 -50.934 1.00 0.00 H new ATOM 343 N ASN A 26 -10.922 18.191 -47.763 1.00 0.00 N ATOM 344 CA ASN A 26 -11.129 19.546 -47.264 1.00 0.00 C ATOM 345 C ASN A 26 -11.588 19.526 -45.810 1.00 0.00 C ATOM 346 O ASN A 26 -10.994 20.178 -44.951 1.00 0.00 O ATOM 347 CB ASN A 26 -12.160 20.277 -48.126 1.00 0.00 C ATOM 348 CG ASN A 26 -11.646 20.564 -49.524 1.00 0.00 C ATOM 349 OD1 ASN A 26 -11.161 21.659 -49.806 1.00 0.00 O ATOM 350 ND2 ASN A 26 -11.751 19.577 -50.407 1.00 0.00 N ATOM 0 H ASN A 26 -11.516 17.937 -48.553 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.178 20.076 -47.319 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -13.067 19.676 -48.192 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.434 21.215 -47.643 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.422 19.711 -51.363 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -12.160 18.685 -50.129 1.00 0.00 H new ATOM 357 N VAL A 27 -12.649 18.772 -45.540 1.00 0.00 N ATOM 358 CA VAL A 27 -13.188 18.665 -44.189 1.00 0.00 C ATOM 359 C VAL A 27 -12.171 18.040 -43.240 1.00 0.00 C ATOM 360 O VAL A 27 -12.080 18.420 -42.073 1.00 0.00 O ATOM 361 CB VAL A 27 -14.480 17.826 -44.165 1.00 0.00 C ATOM 362 CG1 VAL A 27 -14.166 16.371 -43.853 1.00 0.00 C ATOM 363 CG2 VAL A 27 -15.465 18.396 -43.156 1.00 0.00 C ATOM 0 H VAL A 27 -13.153 18.226 -46.239 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.416 19.678 -43.857 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.940 17.869 -45.152 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.091 15.794 -43.840 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.499 15.971 -44.617 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.683 16.304 -42.878 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.372 17.792 -43.152 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.016 18.384 -42.163 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.714 19.421 -43.429 1.00 0.00 H new ATOM 373 N HIS A 28 -11.408 17.079 -43.750 1.00 0.00 N ATOM 374 CA HIS A 28 -10.395 16.401 -42.947 1.00 0.00 C ATOM 375 C HIS A 28 -9.299 17.373 -42.522 1.00 0.00 C ATOM 376 O HIS A 28 -8.680 17.205 -41.470 1.00 0.00 O ATOM 377 CB HIS A 28 -9.787 15.238 -43.732 1.00 0.00 C ATOM 378 CG HIS A 28 -8.601 14.618 -43.060 1.00 0.00 C ATOM 379 ND1 HIS A 28 -8.697 13.537 -42.209 1.00 0.00 N ATOM 380 CD2 HIS A 28 -7.285 14.932 -43.119 1.00 0.00 C ATOM 381 CE1 HIS A 28 -7.493 13.214 -41.773 1.00 0.00 C ATOM 382 NE2 HIS A 28 -6.618 14.045 -42.310 1.00 0.00 N ATOM 0 H HIS A 28 -11.471 16.752 -44.714 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.877 16.011 -42.051 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.550 14.474 -43.883 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.491 15.592 -44.719 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.563 13.061 -41.956 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -6.842 15.731 -43.695 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.263 12.407 -41.093 1.00 0.00 H new ATOM 390 N LEU A 29 -9.062 18.387 -43.346 1.00 0.00 N ATOM 391 CA LEU A 29 -8.039 19.386 -43.056 1.00 0.00 C ATOM 392 C LEU A 29 -8.538 20.392 -42.023 1.00 0.00 C ATOM 393 O LEU A 29 -7.747 21.096 -41.395 1.00 0.00 O ATOM 394 CB LEU A 29 -7.631 20.114 -44.338 1.00 0.00 C ATOM 395 CG LEU A 29 -6.868 19.282 -45.368 1.00 0.00 C ATOM 396 CD1 LEU A 29 -6.811 20.007 -46.704 1.00 0.00 C ATOM 397 CD2 LEU A 29 -5.465 18.970 -44.869 1.00 0.00 C ATOM 0 H LEU A 29 -9.564 18.540 -44.221 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.170 18.872 -42.645 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.531 20.506 -44.812 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.016 20.971 -44.065 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.399 18.341 -45.511 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.264 19.399 -47.425 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.824 20.178 -47.069 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.304 20.964 -46.577 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.937 18.377 -45.616 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.925 19.901 -44.696 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.527 18.408 -43.937 1.00 0.00 H new ATOM 409 N ARG A 30 -9.854 20.452 -41.851 1.00 0.00 N ATOM 410 CA ARG A 30 -10.458 21.371 -40.893 1.00 0.00 C ATOM 411 C ARG A 30 -10.162 20.936 -39.461 1.00 0.00 C ATOM 412 O ARG A 30 -9.965 21.768 -38.575 1.00 0.00 O ATOM 413 CB ARG A 30 -11.970 21.447 -41.111 1.00 0.00 C ATOM 414 CG ARG A 30 -12.362 21.876 -42.516 1.00 0.00 C ATOM 415 CD ARG A 30 -13.867 21.801 -42.722 1.00 0.00 C ATOM 416 NE ARG A 30 -14.575 22.833 -41.969 1.00 0.00 N ATOM 417 CZ ARG A 30 -15.840 23.169 -42.194 1.00 0.00 C ATOM 418 NH1 ARG A 30 -16.533 22.557 -43.144 1.00 0.00 N ATOM 419 NH2 ARG A 30 -16.415 24.118 -41.466 1.00 0.00 N ATOM 0 H ARG A 30 -10.523 19.876 -42.362 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.024 22.358 -41.052 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.408 20.471 -40.903 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.397 22.148 -40.394 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.019 22.895 -42.695 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.862 21.239 -43.245 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.093 21.907 -43.783 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.226 20.818 -42.416 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.070 23.322 -41.230 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.095 21.826 -43.704 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.504 22.817 -43.315 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.885 24.590 -40.733 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.387 24.376 -41.639 1.00 0.00 H new ATOM 433 N LYS A 31 -10.131 19.626 -39.240 1.00 0.00 N ATOM 434 CA LYS A 31 -9.858 19.079 -37.917 1.00 0.00 C ATOM 435 C LYS A 31 -8.418 19.359 -37.498 1.00 0.00 C ATOM 436 O LYS A 31 -8.122 19.494 -36.311 1.00 0.00 O ATOM 437 CB LYS A 31 -10.120 17.571 -37.902 1.00 0.00 C ATOM 438 CG LYS A 31 -8.905 16.739 -38.274 1.00 0.00 C ATOM 439 CD LYS A 31 -9.202 15.251 -38.195 1.00 0.00 C ATOM 440 CE LYS A 31 -10.172 14.818 -39.284 1.00 0.00 C ATOM 441 NZ LYS A 31 -10.617 13.408 -39.102 1.00 0.00 N ATOM 0 H LYS A 31 -10.292 18.923 -39.961 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.526 19.565 -37.206 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.459 17.279 -36.908 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.931 17.345 -38.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.584 16.994 -39.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.078 16.982 -37.606 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.273 14.688 -38.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.621 15.014 -37.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.041 15.476 -39.279 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.696 14.926 -40.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.277 13.151 -39.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.791 12.777 -39.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.094 13.310 -38.183 1.00 0.00 H new ATOM 455 N HIS A 32 -7.528 19.448 -38.481 1.00 0.00 N ATOM 456 CA HIS A 32 -6.119 19.715 -38.214 1.00 0.00 C ATOM 457 C HIS A 32 -5.940 21.082 -37.560 1.00 0.00 C ATOM 458 O HIS A 32 -5.064 21.267 -36.714 1.00 0.00 O ATOM 459 CB HIS A 32 -5.311 19.648 -39.511 1.00 0.00 C ATOM 460 CG HIS A 32 -4.812 18.273 -39.834 1.00 0.00 C ATOM 461 ND1 HIS A 32 -3.993 17.552 -38.991 1.00 0.00 N ATOM 462 CD2 HIS A 32 -5.021 17.487 -40.916 1.00 0.00 C ATOM 463 CE1 HIS A 32 -3.719 16.382 -39.541 1.00 0.00 C ATOM 464 NE2 HIS A 32 -4.331 16.318 -40.710 1.00 0.00 N ATOM 0 H HIS A 32 -7.757 19.339 -39.469 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.754 18.952 -37.527 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.930 20.004 -40.334 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.461 20.326 -39.436 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -3.652 17.872 -38.084 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.619 17.734 -41.781 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.100 15.610 -39.108 1.00 0.00 H new ATOM 472 N THR A 33 -6.775 22.037 -37.957 1.00 0.00 N ATOM 473 CA THR A 33 -6.707 23.387 -37.411 1.00 0.00 C ATOM 474 C THR A 33 -6.912 23.379 -35.900 1.00 0.00 C ATOM 475 O THR A 33 -7.175 22.336 -35.305 1.00 0.00 O ATOM 476 CB THR A 33 -7.761 24.307 -38.056 1.00 0.00 C ATOM 477 OG1 THR A 33 -9.072 23.931 -37.620 1.00 0.00 O ATOM 478 CG2 THR A 33 -7.685 24.235 -39.574 1.00 0.00 C ATOM 0 H THR A 33 -7.506 21.901 -38.655 1.00 0.00 H new ATOM 0 HA THR A 33 -5.713 23.771 -37.638 1.00 0.00 H new ATOM 0 HB THR A 33 -7.556 25.332 -37.746 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.463 23.303 -38.262 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.438 24.893 -40.008 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.695 24.550 -39.904 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.867 23.211 -39.899 1.00 0.00 H new ATOM 486 N GLY A 34 -6.790 24.552 -35.285 1.00 0.00 N ATOM 487 CA GLY A 34 -6.966 24.658 -33.849 1.00 0.00 C ATOM 488 C GLY A 34 -5.836 24.006 -33.077 1.00 0.00 C ATOM 489 O GLY A 34 -4.842 23.579 -33.662 1.00 0.00 O ATOM 0 H GLY A 34 -6.572 25.430 -35.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.033 25.710 -33.571 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.911 24.193 -33.566 1.00 0.00 H new ATOM 493 N GLU A 35 -5.988 23.930 -31.758 1.00 0.00 N ATOM 494 CA GLU A 35 -4.971 23.328 -30.906 1.00 0.00 C ATOM 495 C GLU A 35 -5.063 21.805 -30.942 1.00 0.00 C ATOM 496 O GLU A 35 -6.155 21.237 -30.934 1.00 0.00 O ATOM 497 CB GLU A 35 -5.120 23.825 -29.466 1.00 0.00 C ATOM 498 CG GLU A 35 -3.862 23.657 -28.631 1.00 0.00 C ATOM 499 CD GLU A 35 -2.852 24.763 -28.867 1.00 0.00 C ATOM 500 OE1 GLU A 35 -2.525 25.027 -30.043 1.00 0.00 O ATOM 501 OE2 GLU A 35 -2.390 25.365 -27.875 1.00 0.00 O ATOM 0 H GLU A 35 -6.806 24.278 -31.257 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.993 23.625 -31.286 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.398 24.879 -29.481 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.938 23.287 -28.988 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.132 23.636 -27.575 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.403 22.696 -28.862 1.00 0.00 H new ATOM 508 N LYS A 36 -3.908 21.149 -30.981 1.00 0.00 N ATOM 509 CA LYS A 36 -3.855 19.693 -31.018 1.00 0.00 C ATOM 510 C LYS A 36 -3.100 19.145 -29.811 1.00 0.00 C ATOM 511 O LYS A 36 -1.869 19.146 -29.783 1.00 0.00 O ATOM 512 CB LYS A 36 -3.186 19.218 -32.310 1.00 0.00 C ATOM 513 CG LYS A 36 -4.123 19.192 -33.505 1.00 0.00 C ATOM 514 CD LYS A 36 -4.622 17.786 -33.792 1.00 0.00 C ATOM 515 CE LYS A 36 -5.799 17.420 -32.902 1.00 0.00 C ATOM 516 NZ LYS A 36 -6.112 15.966 -32.965 1.00 0.00 N ATOM 0 H LYS A 36 -2.995 21.604 -30.988 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.878 19.317 -30.987 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.343 19.871 -32.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.782 18.218 -32.154 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.972 19.849 -33.317 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.606 19.582 -34.382 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.918 17.710 -34.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.812 17.073 -33.638 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.576 17.699 -31.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.675 17.993 -33.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.303 15.610 -32.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.949 15.817 -33.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.302 15.454 -33.369 1.00 0.00 H new ATOM 530 N PHE A 37 -3.845 18.676 -28.815 1.00 0.00 N ATOM 531 CA PHE A 37 -3.245 18.124 -27.606 1.00 0.00 C ATOM 532 C PHE A 37 -2.986 16.628 -27.761 1.00 0.00 C ATOM 533 O PHE A 37 -3.914 15.821 -27.737 1.00 0.00 O ATOM 534 CB PHE A 37 -4.154 18.374 -26.401 1.00 0.00 C ATOM 535 CG PHE A 37 -4.713 19.767 -26.351 1.00 0.00 C ATOM 536 CD1 PHE A 37 -5.878 20.085 -27.030 1.00 0.00 C ATOM 537 CD2 PHE A 37 -4.074 20.759 -25.624 1.00 0.00 C ATOM 538 CE1 PHE A 37 -6.396 21.365 -26.985 1.00 0.00 C ATOM 539 CE2 PHE A 37 -4.587 22.041 -25.576 1.00 0.00 C ATOM 540 CZ PHE A 37 -5.749 22.345 -26.258 1.00 0.00 C ATOM 0 H PHE A 37 -4.865 18.667 -28.822 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.291 18.624 -27.443 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.978 17.661 -26.423 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.592 18.183 -25.486 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.387 19.323 -27.601 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.165 20.527 -25.089 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.306 21.599 -27.518 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.080 22.805 -25.006 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.151 23.347 -26.223 1.00 0.00 H new ATOM 550 N ALA A 38 -1.717 16.267 -27.920 1.00 0.00 N ATOM 551 CA ALA A 38 -1.335 14.869 -28.077 1.00 0.00 C ATOM 552 C ALA A 38 -1.209 14.179 -26.724 1.00 0.00 C ATOM 553 O ALA A 38 -0.983 14.828 -25.702 1.00 0.00 O ATOM 554 CB ALA A 38 -0.028 14.763 -28.849 1.00 0.00 C ATOM 0 H ALA A 38 -0.936 16.923 -27.943 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.120 14.365 -28.641 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.246 13.714 -28.959 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.150 15.211 -29.835 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.758 15.288 -28.307 1.00 0.00 H new ATOM 560 N CYS A 39 -1.358 12.858 -26.722 1.00 0.00 N ATOM 561 CA CYS A 39 -1.263 12.079 -25.494 1.00 0.00 C ATOM 562 C CYS A 39 0.195 11.835 -25.116 1.00 0.00 C ATOM 563 O CYS A 39 1.036 11.580 -25.978 1.00 0.00 O ATOM 564 CB CYS A 39 -1.990 10.742 -25.655 1.00 0.00 C ATOM 565 SG CYS A 39 -1.933 9.681 -24.176 1.00 0.00 S ATOM 0 H CYS A 39 -1.545 12.305 -27.558 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.737 12.649 -24.695 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.032 10.936 -25.910 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.552 10.201 -26.494 1.00 0.00 H new ATOM 570 N ASP A 40 0.486 11.915 -23.822 1.00 0.00 N ATOM 571 CA ASP A 40 1.842 11.702 -23.329 1.00 0.00 C ATOM 572 C ASP A 40 2.095 10.222 -23.057 1.00 0.00 C ATOM 573 O ASP A 40 3.008 9.865 -22.312 1.00 0.00 O ATOM 574 CB ASP A 40 2.078 12.515 -22.056 1.00 0.00 C ATOM 575 CG ASP A 40 2.648 13.890 -22.345 1.00 0.00 C ATOM 576 OD1 ASP A 40 3.416 14.021 -23.321 1.00 0.00 O ATOM 577 OD2 ASP A 40 2.326 14.836 -21.594 1.00 0.00 O ATOM 0 H ASP A 40 -0.199 12.126 -23.096 1.00 0.00 H new ATOM 0 HA ASP A 40 2.539 12.036 -24.098 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.137 12.621 -21.516 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.761 11.972 -21.403 1.00 0.00 H new ATOM 582 N TYR A 41 1.280 9.367 -23.663 1.00 0.00 N ATOM 583 CA TYR A 41 1.413 7.926 -23.483 1.00 0.00 C ATOM 584 C TYR A 41 1.487 7.213 -24.830 1.00 0.00 C ATOM 585 O TYR A 41 2.252 6.264 -25.003 1.00 0.00 O ATOM 586 CB TYR A 41 0.237 7.382 -22.670 1.00 0.00 C ATOM 587 CG TYR A 41 0.131 7.979 -21.285 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.089 9.339 -21.108 1.00 0.00 C ATOM 589 CD2 TYR A 41 0.251 7.182 -20.152 1.00 0.00 C ATOM 590 CE1 TYR A 41 -0.185 9.889 -19.844 1.00 0.00 C ATOM 591 CE2 TYR A 41 0.154 7.723 -18.885 1.00 0.00 C ATOM 592 CZ TYR A 41 -0.063 9.077 -18.736 1.00 0.00 C ATOM 593 OH TYR A 41 -0.160 9.621 -17.476 1.00 0.00 O ATOM 0 H TYR A 41 0.520 9.646 -24.283 1.00 0.00 H new ATOM 0 HA TYR A 41 2.340 7.737 -22.941 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.689 7.576 -23.212 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.336 6.300 -22.584 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.187 9.978 -21.973 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.423 6.122 -20.265 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.355 10.949 -19.724 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.248 7.089 -18.015 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.053 8.914 -16.805 1.00 0.00 H new ATOM 603 N CYS A 42 0.685 7.678 -25.783 1.00 0.00 N ATOM 604 CA CYS A 42 0.658 7.087 -27.115 1.00 0.00 C ATOM 605 C CYS A 42 0.589 8.169 -28.189 1.00 0.00 C ATOM 606 O CYS A 42 0.662 9.361 -27.889 1.00 0.00 O ATOM 607 CB CYS A 42 -0.536 6.141 -27.252 1.00 0.00 C ATOM 608 SG CYS A 42 -2.154 6.949 -27.037 1.00 0.00 S ATOM 0 H CYS A 42 0.045 8.462 -25.657 1.00 0.00 H new ATOM 0 HA CYS A 42 1.579 6.521 -27.253 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.504 5.673 -28.236 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.440 5.343 -26.516 1.00 0.00 H new ATOM 613 N SER A 43 0.447 7.745 -29.440 1.00 0.00 N ATOM 614 CA SER A 43 0.371 8.677 -30.559 1.00 0.00 C ATOM 615 C SER A 43 -1.049 9.208 -30.729 1.00 0.00 C ATOM 616 O SER A 43 -1.493 9.480 -31.845 1.00 0.00 O ATOM 617 CB SER A 43 0.831 7.996 -31.850 1.00 0.00 C ATOM 618 OG SER A 43 2.127 7.443 -31.700 1.00 0.00 O ATOM 0 H SER A 43 0.382 6.762 -29.705 1.00 0.00 H new ATOM 0 HA SER A 43 1.031 9.517 -30.345 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.126 7.210 -32.122 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.833 8.719 -32.666 1.00 0.00 H new ATOM 0 HG SER A 43 2.398 7.012 -32.538 1.00 0.00 H new ATOM 624 N PHE A 44 -1.758 9.352 -29.614 1.00 0.00 N ATOM 625 CA PHE A 44 -3.128 9.849 -29.638 1.00 0.00 C ATOM 626 C PHE A 44 -3.154 11.374 -29.658 1.00 0.00 C ATOM 627 O PHE A 44 -2.229 12.029 -29.175 1.00 0.00 O ATOM 628 CB PHE A 44 -3.903 9.331 -28.424 1.00 0.00 C ATOM 629 CG PHE A 44 -5.272 9.932 -28.285 1.00 0.00 C ATOM 630 CD1 PHE A 44 -5.458 11.105 -27.571 1.00 0.00 C ATOM 631 CD2 PHE A 44 -6.372 9.324 -28.868 1.00 0.00 C ATOM 632 CE1 PHE A 44 -6.717 11.661 -27.442 1.00 0.00 C ATOM 633 CE2 PHE A 44 -7.633 9.876 -28.742 1.00 0.00 C ATOM 634 CZ PHE A 44 -7.806 11.045 -28.027 1.00 0.00 C ATOM 0 H PHE A 44 -1.406 9.131 -28.682 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.604 9.483 -30.548 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.997 8.248 -28.498 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.330 9.540 -27.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.610 11.590 -27.110 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.243 8.409 -29.427 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.849 12.576 -26.884 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.482 9.393 -29.202 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.791 11.477 -27.926 1.00 0.00 H new ATOM 644 N THR A 45 -4.219 11.935 -30.222 1.00 0.00 N ATOM 645 CA THR A 45 -4.365 13.383 -30.307 1.00 0.00 C ATOM 646 C THR A 45 -5.829 13.795 -30.203 1.00 0.00 C ATOM 647 O THR A 45 -6.726 13.027 -30.554 1.00 0.00 O ATOM 648 CB THR A 45 -3.782 13.930 -31.624 1.00 0.00 C ATOM 649 OG1 THR A 45 -4.237 13.138 -32.727 1.00 0.00 O ATOM 650 CG2 THR A 45 -2.262 13.928 -31.585 1.00 0.00 C ATOM 0 H THR A 45 -4.993 11.409 -30.627 1.00 0.00 H new ATOM 0 HA THR A 45 -3.811 13.806 -29.469 1.00 0.00 H new ATOM 0 HB THR A 45 -4.125 14.957 -31.749 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.864 13.493 -33.561 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.873 14.318 -32.526 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.918 14.555 -30.762 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.903 12.909 -31.439 1.00 0.00 H new ATOM 658 N CYS A 46 -6.064 15.010 -29.720 1.00 0.00 N ATOM 659 CA CYS A 46 -7.421 15.523 -29.570 1.00 0.00 C ATOM 660 C CYS A 46 -7.438 17.046 -29.651 1.00 0.00 C ATOM 661 O CYS A 46 -6.520 17.714 -29.174 1.00 0.00 O ATOM 662 CB CYS A 46 -8.018 15.065 -28.239 1.00 0.00 C ATOM 663 SG CYS A 46 -9.813 14.848 -28.270 1.00 0.00 S ATOM 0 H CYS A 46 -5.333 15.658 -29.426 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.025 15.126 -30.386 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.554 14.122 -27.950 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.764 15.794 -27.469 1.00 0.00 H new ATOM 0 HG CYS A 46 -10.152 13.918 -27.427 1.00 0.00 H new ATOM 669 N LEU A 47 -8.486 17.590 -30.260 1.00 0.00 N ATOM 670 CA LEU A 47 -8.622 19.035 -30.405 1.00 0.00 C ATOM 671 C LEU A 47 -9.066 19.675 -29.093 1.00 0.00 C ATOM 672 O LEU A 47 -8.873 20.872 -28.879 1.00 0.00 O ATOM 673 CB LEU A 47 -9.627 19.364 -31.511 1.00 0.00 C ATOM 674 CG LEU A 47 -9.363 20.649 -32.297 1.00 0.00 C ATOM 675 CD1 LEU A 47 -9.254 21.837 -31.355 1.00 0.00 C ATOM 676 CD2 LEU A 47 -8.100 20.512 -33.135 1.00 0.00 C ATOM 0 H LEU A 47 -9.254 17.052 -30.661 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.647 19.441 -30.675 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.650 18.531 -32.213 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.619 19.432 -31.064 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.204 20.821 -32.969 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.066 22.743 -31.932 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.185 21.947 -30.799 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.432 21.674 -30.657 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.928 21.436 -33.687 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.250 20.316 -32.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.217 19.686 -33.837 1.00 0.00 H new ATOM 688 N SER A 48 -9.658 18.869 -28.218 1.00 0.00 N ATOM 689 CA SER A 48 -10.130 19.357 -26.927 1.00 0.00 C ATOM 690 C SER A 48 -9.318 18.750 -25.787 1.00 0.00 C ATOM 691 O SER A 48 -9.519 17.596 -25.411 1.00 0.00 O ATOM 692 CB SER A 48 -11.612 19.026 -26.745 1.00 0.00 C ATOM 693 OG SER A 48 -12.433 20.045 -27.290 1.00 0.00 O ATOM 0 H SER A 48 -9.822 17.875 -28.379 1.00 0.00 H new ATOM 0 HA SER A 48 -10.001 20.439 -26.906 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.838 18.075 -27.228 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.833 18.905 -25.685 1.00 0.00 H new ATOM 0 HG SER A 48 -13.376 19.809 -27.162 1.00 0.00 H new ATOM 699 N LYS A 49 -8.397 19.538 -25.241 1.00 0.00 N ATOM 700 CA LYS A 49 -7.553 19.081 -24.143 1.00 0.00 C ATOM 701 C LYS A 49 -8.377 18.335 -23.098 1.00 0.00 C ATOM 702 O LYS A 49 -8.004 17.247 -22.662 1.00 0.00 O ATOM 703 CB LYS A 49 -6.841 20.269 -23.493 1.00 0.00 C ATOM 704 CG LYS A 49 -7.615 21.572 -23.593 1.00 0.00 C ATOM 705 CD LYS A 49 -7.378 22.456 -22.380 1.00 0.00 C ATOM 706 CE LYS A 49 -6.194 23.388 -22.592 1.00 0.00 C ATOM 707 NZ LYS A 49 -4.901 22.722 -22.274 1.00 0.00 N ATOM 0 H LYS A 49 -8.216 20.496 -25.541 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.809 18.396 -24.550 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.661 20.043 -22.442 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.866 20.399 -23.963 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.317 22.105 -24.496 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.680 21.358 -23.686 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.273 23.044 -22.176 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.200 21.833 -21.504 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.182 23.730 -23.627 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.311 24.272 -21.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.259 23.406 -21.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.070 21.928 -21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.469 22.366 -23.151 1.00 0.00 H new ATOM 721 N GLY A 50 -9.499 18.927 -22.702 1.00 0.00 N ATOM 722 CA GLY A 50 -10.358 18.303 -21.713 1.00 0.00 C ATOM 723 C GLY A 50 -10.579 16.828 -21.985 1.00 0.00 C ATOM 724 O GLY A 50 -10.405 15.992 -21.097 1.00 0.00 O ATOM 0 H GLY A 50 -9.829 19.828 -23.048 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.916 18.425 -20.724 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.320 18.815 -21.697 1.00 0.00 H new ATOM 728 N HIS A 51 -10.966 16.506 -23.215 1.00 0.00 N ATOM 729 CA HIS A 51 -11.213 15.122 -23.602 1.00 0.00 C ATOM 730 C HIS A 51 -9.932 14.297 -23.515 1.00 0.00 C ATOM 731 O HIS A 51 -9.921 13.206 -22.943 1.00 0.00 O ATOM 732 CB HIS A 51 -11.778 15.059 -25.021 1.00 0.00 C ATOM 733 CG HIS A 51 -12.695 13.897 -25.250 1.00 0.00 C ATOM 734 ND1 HIS A 51 -13.701 13.907 -26.192 1.00 0.00 N ATOM 735 CD2 HIS A 51 -12.752 12.683 -24.653 1.00 0.00 C ATOM 736 CE1 HIS A 51 -14.339 12.750 -26.164 1.00 0.00 C ATOM 737 NE2 HIS A 51 -13.782 11.990 -25.239 1.00 0.00 N ATOM 0 H HIS A 51 -11.115 17.185 -23.961 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.943 14.702 -22.910 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.317 15.983 -25.230 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.952 15.004 -25.730 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.107 12.326 -23.863 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.174 12.473 -26.791 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -14.070 11.042 -24.999 1.00 0.00 H new ATOM 745 N LEU A 52 -8.855 14.824 -24.085 1.00 0.00 N ATOM 746 CA LEU A 52 -7.568 14.137 -24.073 1.00 0.00 C ATOM 747 C LEU A 52 -7.300 13.508 -22.709 1.00 0.00 C ATOM 748 O LEU A 52 -6.820 12.378 -22.618 1.00 0.00 O ATOM 749 CB LEU A 52 -6.443 15.111 -24.428 1.00 0.00 C ATOM 750 CG LEU A 52 -5.024 14.646 -24.100 1.00 0.00 C ATOM 751 CD1 LEU A 52 -4.678 13.391 -24.887 1.00 0.00 C ATOM 752 CD2 LEU A 52 -4.020 15.753 -24.389 1.00 0.00 C ATOM 0 H LEU A 52 -8.847 15.726 -24.562 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.601 13.343 -24.819 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.497 15.323 -25.496 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.625 16.051 -23.907 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.977 14.408 -23.037 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.664 13.075 -24.641 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.378 12.596 -24.631 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.743 13.601 -25.955 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.015 15.405 -24.150 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.069 16.022 -25.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.256 16.626 -23.780 1.00 0.00 H new ATOM 764 N LYS A 53 -7.615 14.247 -21.651 1.00 0.00 N ATOM 765 CA LYS A 53 -7.411 13.762 -20.291 1.00 0.00 C ATOM 766 C LYS A 53 -8.142 12.441 -20.069 1.00 0.00 C ATOM 767 O LYS A 53 -7.560 11.473 -19.581 1.00 0.00 O ATOM 768 CB LYS A 53 -7.897 14.802 -19.279 1.00 0.00 C ATOM 769 CG LYS A 53 -8.517 14.194 -18.032 1.00 0.00 C ATOM 770 CD LYS A 53 -10.031 14.122 -18.140 1.00 0.00 C ATOM 771 CE LYS A 53 -10.689 15.376 -17.586 1.00 0.00 C ATOM 772 NZ LYS A 53 -12.033 15.089 -17.012 1.00 0.00 N ATOM 0 H LYS A 53 -8.013 15.184 -21.709 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.343 13.595 -20.148 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.057 15.432 -18.987 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.630 15.450 -19.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.115 13.193 -17.875 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.241 14.788 -17.161 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.317 13.991 -19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.394 13.249 -17.598 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.051 15.812 -16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.784 16.117 -18.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.449 15.969 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.650 14.697 -17.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.940 14.401 -16.238 1.00 0.00 H new ATOM 786 N VAL A 54 -9.420 12.409 -20.432 1.00 0.00 N ATOM 787 CA VAL A 54 -10.230 11.207 -20.276 1.00 0.00 C ATOM 788 C VAL A 54 -9.576 10.011 -20.960 1.00 0.00 C ATOM 789 O VAL A 54 -9.518 8.917 -20.399 1.00 0.00 O ATOM 790 CB VAL A 54 -11.645 11.403 -20.851 1.00 0.00 C ATOM 791 CG1 VAL A 54 -12.438 10.108 -20.772 1.00 0.00 C ATOM 792 CG2 VAL A 54 -12.366 12.526 -20.120 1.00 0.00 C ATOM 0 H VAL A 54 -9.917 13.203 -20.837 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.306 11.014 -19.206 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.556 11.682 -21.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.435 10.266 -21.183 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.928 9.334 -21.345 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.520 9.795 -19.731 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.364 12.651 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.445 12.279 -19.061 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.806 13.454 -20.235 1.00 0.00 H new ATOM 802 N HIS A 55 -9.085 10.228 -22.176 1.00 0.00 N ATOM 803 CA HIS A 55 -8.434 9.169 -22.938 1.00 0.00 C ATOM 804 C HIS A 55 -7.369 8.471 -22.097 1.00 0.00 C ATOM 805 O HIS A 55 -7.178 7.259 -22.202 1.00 0.00 O ATOM 806 CB HIS A 55 -7.804 9.739 -24.209 1.00 0.00 C ATOM 807 CG HIS A 55 -6.637 8.943 -24.709 1.00 0.00 C ATOM 808 ND1 HIS A 55 -6.774 7.828 -25.509 1.00 0.00 N ATOM 809 CD2 HIS A 55 -5.307 9.107 -24.518 1.00 0.00 C ATOM 810 CE1 HIS A 55 -5.578 7.340 -25.787 1.00 0.00 C ATOM 811 NE2 HIS A 55 -4.671 8.098 -25.199 1.00 0.00 N ATOM 0 H HIS A 55 -9.126 11.128 -22.655 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.192 8.436 -23.215 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.562 9.787 -24.991 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.480 10.762 -24.017 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -7.660 7.441 -25.835 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.834 9.886 -23.938 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.377 6.469 -26.393 1.00 0.00 H new ATOM 819 N ILE A 56 -6.678 9.244 -21.266 1.00 0.00 N ATOM 820 CA ILE A 56 -5.634 8.699 -20.408 1.00 0.00 C ATOM 821 C ILE A 56 -6.228 8.048 -19.163 1.00 0.00 C ATOM 822 O ILE A 56 -5.728 7.031 -18.685 1.00 0.00 O ATOM 823 CB ILE A 56 -4.635 9.789 -19.976 1.00 0.00 C ATOM 824 CG1 ILE A 56 -3.995 10.440 -21.204 1.00 0.00 C ATOM 825 CG2 ILE A 56 -3.568 9.199 -19.066 1.00 0.00 C ATOM 826 CD1 ILE A 56 -3.487 11.842 -20.948 1.00 0.00 C ATOM 0 H ILE A 56 -6.822 10.249 -21.169 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.107 7.945 -20.993 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.174 10.556 -19.421 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.167 9.819 -21.545 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.726 10.469 -22.012 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.870 9.981 -18.769 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.039 8.778 -18.178 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.029 8.415 -19.598 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.046 12.242 -21.861 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.316 12.478 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.733 11.818 -20.162 1.00 0.00 H new ATOM 838 N GLU A 57 -7.299 8.642 -18.646 1.00 0.00 N ATOM 839 CA GLU A 57 -7.962 8.119 -17.457 1.00 0.00 C ATOM 840 C GLU A 57 -8.691 6.815 -17.770 1.00 0.00 C ATOM 841 O GLU A 57 -9.094 6.084 -16.865 1.00 0.00 O ATOM 842 CB GLU A 57 -8.950 9.147 -16.902 1.00 0.00 C ATOM 843 CG GLU A 57 -8.313 10.488 -16.575 1.00 0.00 C ATOM 844 CD GLU A 57 -7.835 10.571 -15.138 1.00 0.00 C ATOM 845 OE1 GLU A 57 -8.611 10.200 -14.233 1.00 0.00 O ATOM 846 OE2 GLU A 57 -6.685 11.007 -14.919 1.00 0.00 O ATOM 0 H GLU A 57 -7.726 9.485 -19.031 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.198 7.918 -16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.748 9.301 -17.628 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.413 8.744 -16.001 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.470 10.659 -17.245 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.034 11.284 -16.761 1.00 0.00 H new ATOM 853 N ARG A 58 -8.856 6.531 -19.058 1.00 0.00 N ATOM 854 CA ARG A 58 -9.537 5.317 -19.491 1.00 0.00 C ATOM 855 C ARG A 58 -8.556 4.345 -20.140 1.00 0.00 C ATOM 856 O ARG A 58 -8.650 3.132 -19.949 1.00 0.00 O ATOM 857 CB ARG A 58 -10.658 5.659 -20.474 1.00 0.00 C ATOM 858 CG ARG A 58 -10.180 5.832 -21.907 1.00 0.00 C ATOM 859 CD ARG A 58 -11.196 6.592 -22.745 1.00 0.00 C ATOM 860 NE ARG A 58 -11.148 6.199 -24.151 1.00 0.00 N ATOM 861 CZ ARG A 58 -11.627 5.048 -24.609 1.00 0.00 C ATOM 862 NH1 ARG A 58 -12.187 4.181 -23.777 1.00 0.00 N ATOM 863 NH2 ARG A 58 -11.547 4.763 -25.903 1.00 0.00 N ATOM 0 H ARG A 58 -8.527 7.125 -19.819 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.967 4.838 -18.611 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.410 4.870 -20.443 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.147 6.578 -20.149 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.230 6.366 -21.913 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.999 4.854 -22.352 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.197 6.413 -22.352 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.008 7.662 -22.661 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.723 6.844 -24.818 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.251 4.397 -22.782 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.554 3.298 -24.132 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.117 5.428 -26.546 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.915 3.879 -26.254 1.00 0.00 H new ATOM 877 N VAL A 59 -7.616 4.886 -20.908 1.00 0.00 N ATOM 878 CA VAL A 59 -6.617 4.067 -21.584 1.00 0.00 C ATOM 879 C VAL A 59 -5.380 3.877 -20.713 1.00 0.00 C ATOM 880 O VAL A 59 -5.058 2.760 -20.308 1.00 0.00 O ATOM 881 CB VAL A 59 -6.195 4.692 -22.927 1.00 0.00 C ATOM 882 CG1 VAL A 59 -5.150 3.826 -23.614 1.00 0.00 C ATOM 883 CG2 VAL A 59 -7.407 4.893 -23.825 1.00 0.00 C ATOM 0 H VAL A 59 -7.525 5.888 -21.078 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.077 3.097 -21.772 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.751 5.668 -22.730 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.864 4.283 -24.561 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.272 3.738 -22.974 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.564 2.835 -23.800 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.091 5.335 -24.770 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.882 3.931 -24.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.118 5.557 -23.333 1.00 0.00 H new ATOM 893 N HIS A 60 -4.690 4.977 -20.428 1.00 0.00 N ATOM 894 CA HIS A 60 -3.488 4.933 -19.603 1.00 0.00 C ATOM 895 C HIS A 60 -3.809 5.290 -18.155 1.00 0.00 C ATOM 896 O HIS A 60 -3.158 6.147 -17.557 1.00 0.00 O ATOM 897 CB HIS A 60 -2.430 5.890 -20.154 1.00 0.00 C ATOM 898 CG HIS A 60 -2.299 5.843 -21.645 1.00 0.00 C ATOM 899 ND1 HIS A 60 -1.597 4.859 -22.309 1.00 0.00 N ATOM 900 CD2 HIS A 60 -2.787 6.665 -22.603 1.00 0.00 C ATOM 901 CE1 HIS A 60 -1.657 5.079 -23.610 1.00 0.00 C ATOM 902 NE2 HIS A 60 -2.374 6.169 -23.815 1.00 0.00 N ATOM 0 H HIS A 60 -4.943 5.909 -20.756 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.096 3.916 -19.630 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.679 6.907 -19.851 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.466 5.651 -19.705 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.108 4.082 -21.865 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.389 7.547 -22.444 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.198 4.471 -24.376 1.00 0.00 H new ATOM 910 N LYS A 61 -4.817 4.628 -17.597 1.00 0.00 N ATOM 911 CA LYS A 61 -5.225 4.874 -16.219 1.00 0.00 C ATOM 912 C LYS A 61 -4.367 4.071 -15.246 1.00 0.00 C ATOM 913 O LYS A 61 -4.490 2.850 -15.155 1.00 0.00 O ATOM 914 CB LYS A 61 -6.700 4.515 -16.030 1.00 0.00 C ATOM 915 CG LYS A 61 -7.311 5.097 -14.767 1.00 0.00 C ATOM 916 CD LYS A 61 -7.098 4.183 -13.572 1.00 0.00 C ATOM 917 CE LYS A 61 -7.966 2.937 -13.661 1.00 0.00 C ATOM 918 NZ LYS A 61 -9.281 3.128 -12.989 1.00 0.00 N ATOM 0 H LYS A 61 -5.367 3.916 -18.078 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.086 5.935 -16.009 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.265 4.868 -16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.801 3.430 -16.006 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.869 6.072 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.379 5.257 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.049 3.893 -13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.328 4.723 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.127 2.681 -14.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.443 2.097 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.843 2.257 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.129 3.348 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.791 3.913 -13.441 1.00 0.00 H new ATOM 932 N LYS A 62 -3.499 4.766 -14.518 1.00 0.00 N ATOM 933 CA LYS A 62 -2.622 4.119 -13.549 1.00 0.00 C ATOM 934 C LYS A 62 -1.694 3.122 -14.235 1.00 0.00 C ATOM 935 O LYS A 62 -1.651 1.947 -13.870 1.00 0.00 O ATOM 936 CB LYS A 62 -3.451 3.406 -12.477 1.00 0.00 C ATOM 937 CG LYS A 62 -3.705 4.253 -11.242 1.00 0.00 C ATOM 938 CD LYS A 62 -4.594 5.445 -11.557 1.00 0.00 C ATOM 939 CE LYS A 62 -3.774 6.702 -11.803 1.00 0.00 C ATOM 940 NZ LYS A 62 -3.124 7.193 -10.556 1.00 0.00 N ATOM 0 H LYS A 62 -3.384 5.778 -14.581 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.013 4.890 -13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.408 3.109 -12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.937 2.491 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.174 3.642 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.755 4.603 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.199 5.226 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.283 5.615 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.011 6.497 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.418 7.482 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.899 8.203 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.771 7.061 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.248 6.658 -10.387 1.00 0.00 H new ATOM 954 N ILE A 63 -0.952 3.599 -15.229 1.00 0.00 N ATOM 955 CA ILE A 63 -0.023 2.750 -15.964 1.00 0.00 C ATOM 956 C ILE A 63 1.412 2.977 -15.502 1.00 0.00 C ATOM 957 O ILE A 63 1.760 4.060 -15.030 1.00 0.00 O ATOM 958 CB ILE A 63 -0.109 3.002 -17.481 1.00 0.00 C ATOM 959 CG1 ILE A 63 0.735 1.975 -18.239 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.346 4.416 -17.809 1.00 0.00 C ATOM 961 CD1 ILE A 63 0.359 1.843 -19.698 1.00 0.00 C ATOM 0 H ILE A 63 -0.976 4.569 -15.544 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.309 1.718 -15.759 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.147 2.893 -17.795 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.786 2.256 -18.167 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.631 1.003 -17.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.280 4.579 -18.885 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.293 5.133 -17.293 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.378 4.551 -17.485 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.998 1.098 -20.172 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.683 1.532 -19.779 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.490 2.804 -20.196 1.00 0.00 H new ATOM 973 N LYS A 64 2.243 1.950 -15.644 1.00 0.00 N ATOM 974 CA LYS A 64 3.643 2.038 -15.245 1.00 0.00 C ATOM 975 C LYS A 64 4.555 2.095 -16.467 1.00 0.00 C ATOM 976 O LYS A 64 4.538 1.195 -17.307 1.00 0.00 O ATOM 977 CB LYS A 64 4.021 0.841 -14.370 1.00 0.00 C ATOM 978 CG LYS A 64 3.182 0.720 -13.110 1.00 0.00 C ATOM 979 CD LYS A 64 3.707 1.618 -12.002 1.00 0.00 C ATOM 980 CE LYS A 64 2.633 1.910 -10.965 1.00 0.00 C ATOM 981 NZ LYS A 64 1.559 2.784 -11.509 1.00 0.00 N ATOM 0 H LYS A 64 1.971 1.047 -16.032 1.00 0.00 H new ATOM 0 HA LYS A 64 3.774 2.956 -14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.917 -0.073 -14.955 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.071 0.923 -14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.148 0.983 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.181 -0.316 -12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.560 1.141 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.065 2.554 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.198 0.972 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.087 2.390 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.056 3.245 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.980 3.509 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.889 2.209 -12.059 1.00 0.00 H new ATOM 995 N GLN A 65 5.348 3.157 -16.559 1.00 0.00 N ATOM 996 CA GLN A 65 6.266 3.330 -17.678 1.00 0.00 C ATOM 997 C GLN A 65 7.554 2.545 -17.451 1.00 0.00 C ATOM 998 O GLN A 65 8.529 3.073 -16.915 1.00 0.00 O ATOM 999 CB GLN A 65 6.587 4.812 -17.878 1.00 0.00 C ATOM 1000 CG GLN A 65 5.381 5.647 -18.279 1.00 0.00 C ATOM 1001 CD GLN A 65 4.912 5.355 -19.690 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.363 4.398 -20.321 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.002 6.179 -20.194 1.00 0.00 N ATOM 0 H GLN A 65 5.373 3.911 -15.872 1.00 0.00 H new ATOM 0 HA GLN A 65 5.781 2.947 -18.576 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.005 5.213 -16.954 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.356 4.908 -18.644 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.565 5.457 -17.582 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.632 6.704 -18.195 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.656 6.959 -19.636 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.649 6.032 -21.139 1.00 0.00 H new ATOM 1012 N HIS A 66 7.552 1.281 -17.863 1.00 0.00 N ATOM 1013 CA HIS A 66 8.721 0.423 -17.706 1.00 0.00 C ATOM 1014 C HIS A 66 9.648 0.541 -18.911 1.00 0.00 C ATOM 1015 O HIS A 66 9.254 0.252 -20.041 1.00 0.00 O ATOM 1016 CB HIS A 66 8.290 -1.032 -17.519 1.00 0.00 C ATOM 1017 CG HIS A 66 7.711 -1.649 -18.755 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.355 -1.760 -18.977 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.314 -2.188 -19.841 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.148 -2.342 -20.144 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.321 -2.612 -20.689 1.00 0.00 N ATOM 0 H HIS A 66 6.754 0.828 -18.308 1.00 0.00 H new ATOM 0 HA HIS A 66 9.264 0.750 -16.819 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.151 -1.619 -17.199 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.553 -1.084 -16.718 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.378 -2.269 -20.009 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.184 -2.560 -20.579 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.465 -3.062 -21.593 1.00 0.00 H new ATOM 1029 N CYS A 67 10.882 0.968 -18.664 1.00 0.00 N ATOM 1030 CA CYS A 67 11.865 1.125 -19.728 1.00 0.00 C ATOM 1031 C CYS A 67 12.058 -0.184 -20.488 1.00 0.00 C ATOM 1032 O CYS A 67 12.429 -1.203 -19.906 1.00 0.00 O ATOM 1033 CB CYS A 67 13.202 1.594 -19.150 1.00 0.00 C ATOM 1034 SG CYS A 67 14.305 2.379 -20.370 1.00 0.00 S ATOM 0 H CYS A 67 11.225 1.212 -17.735 1.00 0.00 H new ATOM 0 HA CYS A 67 11.493 1.877 -20.424 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.009 2.301 -18.343 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.715 0.739 -18.709 1.00 0.00 H new ATOM 1039 N ARG A 68 11.804 -0.147 -21.792 1.00 0.00 N ATOM 1040 CA ARG A 68 11.948 -1.330 -22.633 1.00 0.00 C ATOM 1041 C ARG A 68 13.421 -1.658 -22.861 1.00 0.00 C ATOM 1042 O ARG A 68 13.754 -2.582 -23.603 1.00 0.00 O ATOM 1043 CB ARG A 68 11.248 -1.116 -23.976 1.00 0.00 C ATOM 1044 CG ARG A 68 12.119 -0.427 -25.014 1.00 0.00 C ATOM 1045 CD ARG A 68 12.245 1.063 -24.734 1.00 0.00 C ATOM 1046 NE ARG A 68 10.987 1.770 -24.957 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.537 2.107 -26.160 1.00 0.00 C ATOM 1048 NH1 ARG A 68 11.237 1.803 -27.243 1.00 0.00 N ATOM 1049 NH2 ARG A 68 9.382 2.750 -26.281 1.00 0.00 N ATOM 0 H ARG A 68 11.497 0.689 -22.289 1.00 0.00 H new ATOM 0 HA ARG A 68 11.481 -2.170 -22.118 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.927 -2.082 -24.367 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.348 -0.522 -23.817 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.109 -0.882 -25.020 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.693 -0.577 -26.006 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.567 1.212 -23.703 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.018 1.488 -25.374 1.00 0.00 H new ATOM 0 HE ARG A 68 10.423 2.019 -24.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.125 1.308 -27.154 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.888 2.063 -28.165 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.840 2.985 -25.450 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.037 3.009 -27.205 1.00 0.00 H new ATOM 1063 N PHE A 69 14.298 -0.894 -22.218 1.00 0.00 N ATOM 1064 CA PHE A 69 15.736 -1.102 -22.352 1.00 0.00 C ATOM 1065 C PHE A 69 16.296 -1.827 -21.132 1.00 0.00 C ATOM 1066 O PHE A 69 16.856 -2.918 -21.246 1.00 0.00 O ATOM 1067 CB PHE A 69 16.451 0.237 -22.537 1.00 0.00 C ATOM 1068 CG PHE A 69 16.063 0.955 -23.798 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.253 0.362 -25.036 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.506 2.223 -23.746 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.897 1.020 -26.197 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.148 2.887 -24.904 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.343 2.284 -26.132 1.00 0.00 C ATOM 0 H PHE A 69 14.039 -0.126 -21.599 1.00 0.00 H new ATOM 0 HA PHE A 69 15.908 -1.722 -23.232 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.233 0.877 -21.682 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.528 0.067 -22.542 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.685 -0.626 -25.094 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.350 2.698 -22.789 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.052 0.547 -27.155 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.717 3.876 -24.849 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.063 2.800 -27.039 1.00 0.00 H new ATOM 1083 N CYS A 70 16.143 -1.212 -19.964 1.00 0.00 N ATOM 1084 CA CYS A 70 16.634 -1.796 -18.722 1.00 0.00 C ATOM 1085 C CYS A 70 15.475 -2.236 -17.832 1.00 0.00 C ATOM 1086 O CYS A 70 15.614 -2.330 -16.612 1.00 0.00 O ATOM 1087 CB CYS A 70 17.512 -0.791 -17.974 1.00 0.00 C ATOM 1088 SG CYS A 70 16.695 0.801 -17.632 1.00 0.00 S ATOM 0 H CYS A 70 15.683 -0.309 -19.852 1.00 0.00 H new ATOM 0 HA CYS A 70 17.230 -2.674 -18.973 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.830 -1.234 -17.030 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.413 -0.606 -18.559 1.00 0.00 H new ATOM 1093 N LYS A 71 14.330 -2.505 -18.451 1.00 0.00 N ATOM 1094 CA LYS A 71 13.146 -2.936 -17.718 1.00 0.00 C ATOM 1095 C LYS A 71 13.057 -2.235 -16.367 1.00 0.00 C ATOM 1096 O LYS A 71 12.870 -2.877 -15.333 1.00 0.00 O ATOM 1097 CB LYS A 71 13.171 -4.453 -17.516 1.00 0.00 C ATOM 1098 CG LYS A 71 12.863 -5.240 -18.779 1.00 0.00 C ATOM 1099 CD LYS A 71 13.973 -5.100 -19.807 1.00 0.00 C ATOM 1100 CE LYS A 71 13.943 -6.236 -20.818 1.00 0.00 C ATOM 1101 NZ LYS A 71 14.200 -7.555 -20.177 1.00 0.00 N ATOM 0 H LYS A 71 14.197 -2.432 -19.460 1.00 0.00 H new ATOM 0 HA LYS A 71 12.268 -2.667 -18.305 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.154 -4.746 -17.146 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.448 -4.721 -16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.728 -6.292 -18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.923 -4.890 -19.207 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.872 -4.147 -20.326 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.939 -5.087 -19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.972 -6.256 -21.313 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.691 -6.055 -21.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.570 -8.219 -20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.897 -7.440 -19.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.313 -7.928 -19.783 1.00 0.00 H new ATOM 1115 N LYS A 72 13.191 -0.913 -16.381 1.00 0.00 N ATOM 1116 CA LYS A 72 13.123 -0.123 -15.158 1.00 0.00 C ATOM 1117 C LYS A 72 11.839 0.701 -15.113 1.00 0.00 C ATOM 1118 O LYS A 72 11.554 1.476 -16.026 1.00 0.00 O ATOM 1119 CB LYS A 72 14.338 0.801 -15.055 1.00 0.00 C ATOM 1120 CG LYS A 72 15.551 0.143 -14.421 1.00 0.00 C ATOM 1121 CD LYS A 72 16.671 1.143 -14.189 1.00 0.00 C ATOM 1122 CE LYS A 72 17.622 0.672 -13.099 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.995 1.216 -13.287 1.00 0.00 N ATOM 0 H LYS A 72 13.348 -0.366 -17.227 1.00 0.00 H new ATOM 0 HA LYS A 72 13.123 -0.809 -14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.604 1.150 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.066 1.681 -14.472 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.265 -0.311 -13.472 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.908 -0.661 -15.065 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.224 1.293 -15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.247 2.108 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.240 0.980 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.660 -0.417 -13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.612 0.872 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.370 0.902 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.963 2.255 -13.264 1.00 0.00 H new ATOM 1137 N LYS A 73 11.069 0.529 -14.044 1.00 0.00 N ATOM 1138 CA LYS A 73 9.817 1.258 -13.878 1.00 0.00 C ATOM 1139 C LYS A 73 10.078 2.691 -13.426 1.00 0.00 C ATOM 1140 O LYS A 73 11.064 2.967 -12.743 1.00 0.00 O ATOM 1141 CB LYS A 73 8.920 0.546 -12.862 1.00 0.00 C ATOM 1142 CG LYS A 73 8.294 -0.732 -13.393 1.00 0.00 C ATOM 1143 CD LYS A 73 7.955 -1.695 -12.268 1.00 0.00 C ATOM 1144 CE LYS A 73 6.751 -1.218 -11.470 1.00 0.00 C ATOM 1145 NZ LYS A 73 6.353 -2.202 -10.425 1.00 0.00 N ATOM 0 H LYS A 73 11.290 -0.109 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 73 9.311 1.287 -14.843 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.507 0.311 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.128 1.226 -12.550 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.390 -0.491 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.981 -1.212 -14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.750 -2.682 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.814 -1.799 -11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.983 -0.262 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.913 -1.046 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.529 -1.840 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.108 -3.107 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.144 -2.347 -9.766 1.00 0.00 H new ATOM 1159 N TYR A 74 9.187 3.599 -13.810 1.00 0.00 N ATOM 1160 CA TYR A 74 9.322 5.004 -13.445 1.00 0.00 C ATOM 1161 C TYR A 74 7.967 5.606 -13.085 1.00 0.00 C ATOM 1162 O TYR A 74 7.021 5.546 -13.870 1.00 0.00 O ATOM 1163 CB TYR A 74 9.954 5.792 -14.593 1.00 0.00 C ATOM 1164 CG TYR A 74 11.464 5.721 -14.618 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.118 4.546 -14.966 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.237 6.828 -14.291 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.498 4.475 -14.989 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.617 6.768 -14.313 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.243 5.589 -14.663 1.00 0.00 C ATOM 1170 OH TYR A 74 15.617 5.524 -14.684 1.00 0.00 O ATOM 0 H TYR A 74 8.364 3.387 -14.374 1.00 0.00 H new ATOM 0 HA TYR A 74 9.970 5.066 -12.571 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.565 5.414 -15.539 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.649 6.836 -14.517 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.538 3.672 -15.223 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.751 7.752 -14.015 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.990 3.553 -15.261 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.203 7.639 -14.058 1.00 0.00 H new ATOM 0 HH TYR A 74 15.990 6.394 -14.430 1.00 0.00 H new ATOM 1180 N SER A 75 7.883 6.186 -11.892 1.00 0.00 N ATOM 1181 CA SER A 75 6.644 6.797 -11.425 1.00 0.00 C ATOM 1182 C SER A 75 6.092 7.768 -12.464 1.00 0.00 C ATOM 1183 O SER A 75 4.984 7.589 -12.970 1.00 0.00 O ATOM 1184 CB SER A 75 6.878 7.527 -10.101 1.00 0.00 C ATOM 1185 OG SER A 75 5.671 8.077 -9.602 1.00 0.00 O ATOM 0 H SER A 75 8.658 6.246 -11.231 1.00 0.00 H new ATOM 0 HA SER A 75 5.913 6.004 -11.270 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.296 6.835 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.611 8.321 -10.244 1.00 0.00 H new ATOM 0 HG SER A 75 5.847 8.537 -8.755 1.00 0.00 H new ATOM 1191 N ASP A 76 6.872 8.797 -12.776 1.00 0.00 N ATOM 1192 CA ASP A 76 6.463 9.797 -13.756 1.00 0.00 C ATOM 1193 C ASP A 76 7.238 9.631 -15.059 1.00 0.00 C ATOM 1194 O ASP A 76 8.467 9.558 -15.057 1.00 0.00 O ATOM 1195 CB ASP A 76 6.676 11.205 -13.197 1.00 0.00 C ATOM 1196 CG ASP A 76 6.175 11.345 -11.773 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.993 11.028 -11.526 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.967 11.770 -10.906 1.00 0.00 O ATOM 0 H ASP A 76 7.791 8.961 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 76 5.403 9.653 -13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.738 11.449 -13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.162 11.926 -13.832 1.00 0.00 H new ATOM 1203 N VAL A 77 6.512 9.570 -16.170 1.00 0.00 N ATOM 1204 CA VAL A 77 7.131 9.413 -17.481 1.00 0.00 C ATOM 1205 C VAL A 77 8.171 10.498 -17.731 1.00 0.00 C ATOM 1206 O VAL A 77 9.178 10.267 -18.401 1.00 0.00 O ATOM 1207 CB VAL A 77 6.081 9.454 -18.607 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.320 10.771 -18.579 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.742 9.238 -19.960 1.00 0.00 C ATOM 0 H VAL A 77 5.494 9.627 -16.189 1.00 0.00 H new ATOM 0 HA VAL A 77 7.619 8.438 -17.485 1.00 0.00 H new ATOM 0 HB VAL A 77 5.367 8.646 -18.445 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.582 10.782 -19.382 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.814 10.879 -17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.018 11.597 -18.716 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.985 9.270 -20.744 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.479 10.022 -20.134 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.236 8.267 -19.972 1.00 0.00 H new ATOM 1219 N LYS A 78 7.922 11.685 -17.189 1.00 0.00 N ATOM 1220 CA LYS A 78 8.837 12.809 -17.351 1.00 0.00 C ATOM 1221 C LYS A 78 10.284 12.364 -17.158 1.00 0.00 C ATOM 1222 O LYS A 78 11.131 12.585 -18.022 1.00 0.00 O ATOM 1223 CB LYS A 78 8.497 13.919 -16.354 1.00 0.00 C ATOM 1224 CG LYS A 78 7.221 14.671 -16.694 1.00 0.00 C ATOM 1225 CD LYS A 78 7.414 15.580 -17.896 1.00 0.00 C ATOM 1226 CE LYS A 78 8.081 16.890 -17.503 1.00 0.00 C ATOM 1227 NZ LYS A 78 8.303 17.774 -18.680 1.00 0.00 N ATOM 0 H LYS A 78 7.093 11.894 -16.633 1.00 0.00 H new ATOM 0 HA LYS A 78 8.725 13.193 -18.365 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.399 13.485 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.326 14.626 -16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.422 13.959 -16.900 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.907 15.264 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.022 15.071 -18.644 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.448 15.786 -18.356 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.461 17.408 -16.771 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.036 16.681 -17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.759 18.656 -18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.916 17.290 -19.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.390 17.995 -19.126 1.00 0.00 H new ATOM 1241 N ASN A 79 10.558 11.737 -16.019 1.00 0.00 N ATOM 1242 CA ASN A 79 11.903 11.260 -15.713 1.00 0.00 C ATOM 1243 C ASN A 79 12.363 10.233 -16.743 1.00 0.00 C ATOM 1244 O ASN A 79 13.442 10.361 -17.324 1.00 0.00 O ATOM 1245 CB ASN A 79 11.943 10.647 -14.312 1.00 0.00 C ATOM 1246 CG ASN A 79 11.457 11.610 -13.246 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.946 12.734 -13.139 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.489 11.171 -12.449 1.00 0.00 N ATOM 0 H ASN A 79 9.868 11.547 -15.293 1.00 0.00 H new ATOM 0 HA ASN A 79 12.581 12.113 -15.748 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.327 9.748 -14.294 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.963 10.339 -14.082 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.122 11.774 -11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.113 10.231 -12.574 1.00 0.00 H new ATOM 1255 N LEU A 80 11.538 9.216 -16.966 1.00 0.00 N ATOM 1256 CA LEU A 80 11.860 8.166 -17.926 1.00 0.00 C ATOM 1257 C LEU A 80 12.477 8.756 -19.191 1.00 0.00 C ATOM 1258 O LEU A 80 13.450 8.223 -19.724 1.00 0.00 O ATOM 1259 CB LEU A 80 10.602 7.371 -18.282 1.00 0.00 C ATOM 1260 CG LEU A 80 10.802 6.188 -19.230 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.736 5.160 -18.610 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.464 5.553 -19.580 1.00 0.00 C ATOM 0 H LEU A 80 10.641 9.096 -16.495 1.00 0.00 H new ATOM 0 HA LEU A 80 12.588 7.497 -17.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.158 7.000 -17.359 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.880 8.053 -18.731 1.00 0.00 H new ATOM 0 HG LEU A 80 11.258 6.556 -20.149 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.867 4.325 -19.299 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.703 5.621 -18.411 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.308 4.796 -17.676 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.626 4.713 -20.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.980 5.199 -18.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.827 6.292 -20.066 1.00 0.00 H new ATOM 1274 N ILE A 81 11.906 9.859 -19.663 1.00 0.00 N ATOM 1275 CA ILE A 81 12.403 10.522 -20.862 1.00 0.00 C ATOM 1276 C ILE A 81 13.883 10.863 -20.728 1.00 0.00 C ATOM 1277 O ILE A 81 14.699 10.474 -21.564 1.00 0.00 O ATOM 1278 CB ILE A 81 11.615 11.812 -21.159 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.119 11.509 -21.262 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.120 12.457 -22.441 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.754 10.664 -22.462 1.00 0.00 C ATOM 0 H ILE A 81 11.099 10.312 -19.234 1.00 0.00 H new ATOM 0 HA ILE A 81 12.267 9.824 -21.688 1.00 0.00 H new ATOM 0 HB ILE A 81 11.769 12.512 -20.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.797 10.996 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.569 12.449 -21.309 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.554 13.367 -22.638 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.176 12.703 -22.333 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.992 11.763 -23.272 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.678 10.489 -22.470 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.044 11.184 -23.375 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.276 9.709 -22.407 1.00 0.00 H new ATOM 1293 N LYS A 82 14.224 11.591 -19.670 1.00 0.00 N ATOM 1294 CA LYS A 82 15.606 11.983 -19.424 1.00 0.00 C ATOM 1295 C LYS A 82 16.495 10.757 -19.241 1.00 0.00 C ATOM 1296 O LYS A 82 17.564 10.658 -19.844 1.00 0.00 O ATOM 1297 CB LYS A 82 15.691 12.877 -18.184 1.00 0.00 C ATOM 1298 CG LYS A 82 17.114 13.219 -17.778 1.00 0.00 C ATOM 1299 CD LYS A 82 17.150 14.384 -16.802 1.00 0.00 C ATOM 1300 CE LYS A 82 17.155 15.720 -17.529 1.00 0.00 C ATOM 1301 NZ LYS A 82 18.509 16.066 -18.044 1.00 0.00 N ATOM 0 H LYS A 82 13.561 11.922 -18.969 1.00 0.00 H new ATOM 0 HA LYS A 82 15.959 12.540 -20.292 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.144 13.801 -18.374 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.194 12.378 -17.352 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.583 12.347 -17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.697 13.468 -18.665 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.286 14.332 -16.140 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.038 14.307 -16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.449 15.685 -18.359 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.813 16.503 -16.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.471 16.983 -18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.178 16.125 -17.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.825 15.332 -18.709 1.00 0.00 H new ATOM 1315 N HIS A 83 16.046 9.824 -18.408 1.00 0.00 N ATOM 1316 CA HIS A 83 16.800 8.603 -18.148 1.00 0.00 C ATOM 1317 C HIS A 83 17.277 7.972 -19.453 1.00 0.00 C ATOM 1318 O HIS A 83 18.432 7.561 -19.568 1.00 0.00 O ATOM 1319 CB HIS A 83 15.943 7.605 -17.369 1.00 0.00 C ATOM 1320 CG HIS A 83 16.329 6.177 -17.599 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.475 5.614 -17.078 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.713 5.194 -18.297 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.548 4.347 -17.447 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.491 4.068 -18.188 1.00 0.00 N ATOM 0 H HIS A 83 15.163 9.890 -17.901 1.00 0.00 H new ATOM 0 HA HIS A 83 17.673 8.864 -17.550 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.019 7.826 -16.304 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.898 7.740 -17.649 1.00 0.00 H new ATOM 0 HD1 HIS A 83 18.159 6.100 -16.498 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.783 5.280 -18.839 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.337 3.657 -17.187 1.00 0.00 H new ATOM 1332 N ILE A 84 16.381 7.898 -20.431 1.00 0.00 N ATOM 1333 CA ILE A 84 16.712 7.317 -21.727 1.00 0.00 C ATOM 1334 C ILE A 84 17.749 8.162 -22.459 1.00 0.00 C ATOM 1335 O ILE A 84 18.742 7.641 -22.968 1.00 0.00 O ATOM 1336 CB ILE A 84 15.462 7.175 -22.615 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.574 6.039 -22.105 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.866 6.931 -24.062 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.190 6.033 -22.716 1.00 0.00 C ATOM 0 H ILE A 84 15.421 8.233 -20.351 1.00 0.00 H new ATOM 0 HA ILE A 84 17.125 6.327 -21.534 1.00 0.00 H new ATOM 0 HB ILE A 84 14.893 8.104 -22.569 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.060 5.086 -22.316 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.484 6.118 -21.022 1.00 0.00 H new ATOM 0 HG21 ILE A 84 14.972 6.833 -24.678 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.462 7.770 -24.420 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.453 6.015 -24.126 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.616 5.201 -22.308 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.685 6.971 -22.483 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.270 5.923 -23.797 1.00 0.00 H new ATOM 1351 N ARG A 85 17.513 9.469 -22.507 1.00 0.00 N ATOM 1352 CA ARG A 85 18.427 10.386 -23.177 1.00 0.00 C ATOM 1353 C ARG A 85 19.730 10.522 -22.395 1.00 0.00 C ATOM 1354 O ARG A 85 20.708 11.082 -22.891 1.00 0.00 O ATOM 1355 CB ARG A 85 17.774 11.760 -23.344 1.00 0.00 C ATOM 1356 CG ARG A 85 16.434 11.714 -24.059 1.00 0.00 C ATOM 1357 CD ARG A 85 15.787 13.089 -24.119 1.00 0.00 C ATOM 1358 NE ARG A 85 16.577 14.031 -24.907 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.697 13.963 -26.228 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.083 13.003 -26.905 1.00 0.00 N ATOM 1361 NH2 ARG A 85 17.434 14.858 -26.875 1.00 0.00 N ATOM 0 H ARG A 85 16.697 9.917 -22.090 1.00 0.00 H new ATOM 0 HA ARG A 85 18.655 9.978 -24.162 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.636 12.209 -22.361 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.451 12.409 -23.899 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.573 11.332 -25.070 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.769 11.020 -23.544 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.790 13.002 -24.551 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.664 13.476 -23.108 1.00 0.00 H new ATOM 0 HE ARG A 85 17.063 14.782 -24.416 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.516 12.313 -26.412 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.177 12.954 -27.919 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.908 15.598 -26.358 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.526 14.805 -27.889 1.00 0.00 H new ATOM 1375 N ASP A 86 19.736 10.008 -21.170 1.00 0.00 N ATOM 1376 CA ASP A 86 20.918 10.071 -20.320 1.00 0.00 C ATOM 1377 C ASP A 86 21.748 8.798 -20.447 1.00 0.00 C ATOM 1378 O ASP A 86 22.945 8.850 -20.728 1.00 0.00 O ATOM 1379 CB ASP A 86 20.513 10.287 -18.861 1.00 0.00 C ATOM 1380 CG ASP A 86 19.961 11.677 -18.613 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.391 12.266 -19.555 1.00 0.00 O ATOM 1382 OD2 ASP A 86 20.097 12.175 -17.476 1.00 0.00 O ATOM 0 H ASP A 86 18.935 9.543 -20.744 1.00 0.00 H new ATOM 0 HA ASP A 86 21.526 10.914 -20.649 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.764 9.546 -18.582 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.378 10.123 -18.219 1.00 0.00 H new ATOM 1387 N ALA A 87 21.104 7.654 -20.237 1.00 0.00 N ATOM 1388 CA ALA A 87 21.782 6.367 -20.329 1.00 0.00 C ATOM 1389 C ALA A 87 21.589 5.742 -21.707 1.00 0.00 C ATOM 1390 O ALA A 87 22.556 5.363 -22.368 1.00 0.00 O ATOM 1391 CB ALA A 87 21.278 5.426 -19.245 1.00 0.00 C ATOM 0 H ALA A 87 20.113 7.593 -20.002 1.00 0.00 H new ATOM 0 HA ALA A 87 22.849 6.535 -20.181 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.793 4.469 -19.326 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.474 5.862 -18.265 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.206 5.272 -19.366 1.00 0.00 H new ATOM 1397 N HIS A 88 20.335 5.638 -22.133 1.00 0.00 N ATOM 1398 CA HIS A 88 20.015 5.059 -23.433 1.00 0.00 C ATOM 1399 C HIS A 88 20.030 6.127 -24.523 1.00 0.00 C ATOM 1400 O HIS A 88 19.090 6.237 -25.310 1.00 0.00 O ATOM 1401 CB HIS A 88 18.647 4.377 -23.389 1.00 0.00 C ATOM 1402 CG HIS A 88 18.483 3.438 -22.234 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.237 2.294 -22.082 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.645 3.479 -21.172 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.870 1.671 -20.976 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.906 2.370 -20.405 1.00 0.00 N ATOM 0 H HIS A 88 19.524 5.947 -21.598 1.00 0.00 H new ATOM 0 HA HIS A 88 20.776 4.315 -23.668 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.871 5.141 -23.339 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.494 3.828 -24.318 1.00 0.00 H new ATOM 0 HD1 HIS A 88 19.965 1.978 -22.723 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.908 4.242 -20.966 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.287 0.748 -20.603 1.00 0.00 H new ATOM 1414 N ASP A 89 21.101 6.911 -24.561 1.00 0.00 N ATOM 1415 CA ASP A 89 21.238 7.971 -25.554 1.00 0.00 C ATOM 1416 C ASP A 89 21.847 7.431 -26.844 1.00 0.00 C ATOM 1417 O ASP A 89 22.943 6.870 -26.855 1.00 0.00 O ATOM 1418 CB ASP A 89 22.102 9.106 -25.003 1.00 0.00 C ATOM 1419 CG ASP A 89 22.896 9.807 -26.088 1.00 0.00 C ATOM 1420 OD1 ASP A 89 22.369 10.772 -26.679 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.045 9.390 -26.346 1.00 0.00 O ATOM 0 H ASP A 89 21.887 6.833 -23.916 1.00 0.00 H new ATOM 0 HA ASP A 89 20.244 8.358 -25.777 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.465 9.831 -24.497 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.787 8.707 -24.255 1.00 0.00 H new ATOM 1426 N PRO A 90 21.120 7.602 -27.958 1.00 0.00 N ATOM 1427 CA PRO A 90 21.568 7.138 -29.275 1.00 0.00 C ATOM 1428 C PRO A 90 22.748 7.946 -29.803 1.00 0.00 C ATOM 1429 O PRO A 90 22.652 9.161 -29.976 1.00 0.00 O ATOM 1430 CB PRO A 90 20.338 7.345 -30.162 1.00 0.00 C ATOM 1431 CG PRO A 90 19.569 8.432 -29.494 1.00 0.00 C ATOM 1432 CD PRO A 90 19.805 8.261 -28.019 1.00 0.00 C ATOM 0 HA PRO A 90 21.920 6.107 -29.246 1.00 0.00 H new ATOM 0 HB2 PRO A 90 20.623 7.627 -31.175 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.747 6.432 -30.240 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.905 9.412 -29.832 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.507 8.361 -29.730 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.811 9.219 -27.499 1.00 0.00 H new ATOM 0 HD3 PRO A 90 19.029 7.652 -27.556 1.00 0.00 H new ATOM 1440 N GLN A 91 23.860 7.264 -30.058 1.00 0.00 N ATOM 1441 CA GLN A 91 25.059 7.920 -30.566 1.00 0.00 C ATOM 1442 C GLN A 91 25.046 7.972 -32.091 1.00 0.00 C ATOM 1443 O GLN A 91 25.674 7.148 -32.755 1.00 0.00 O ATOM 1444 CB GLN A 91 26.311 7.189 -30.080 1.00 0.00 C ATOM 1445 CG GLN A 91 26.506 7.252 -28.574 1.00 0.00 C ATOM 1446 CD GLN A 91 27.961 7.125 -28.168 1.00 0.00 C ATOM 1447 OE1 GLN A 91 28.780 7.994 -28.468 1.00 0.00 O ATOM 1448 NE2 GLN A 91 28.292 6.037 -27.481 1.00 0.00 N ATOM 0 H GLN A 91 23.955 6.258 -29.921 1.00 0.00 H new ATOM 0 HA GLN A 91 25.073 8.941 -30.185 1.00 0.00 H new ATOM 0 HB2 GLN A 91 26.254 6.145 -30.387 1.00 0.00 H new ATOM 0 HB3 GLN A 91 27.185 7.618 -30.569 1.00 0.00 H new ATOM 0 HG2 GLN A 91 26.109 8.196 -28.199 1.00 0.00 H new ATOM 0 HG3 GLN A 91 25.931 6.455 -28.103 1.00 0.00 H new ATOM 0 HE21 GLN A 91 27.581 5.342 -27.254 1.00 0.00 H new ATOM 0 HE22 GLN A 91 29.257 5.897 -27.181 1.00 0.00 H new ATOM 1457 N ASP A 92 24.327 8.946 -32.638 1.00 0.00 N ATOM 1458 CA ASP A 92 24.232 9.106 -34.084 1.00 0.00 C ATOM 1459 C ASP A 92 25.602 9.399 -34.689 1.00 0.00 C ATOM 1460 O ASP A 92 26.491 9.856 -33.973 1.00 0.00 O ATOM 1461 CB ASP A 92 23.256 10.231 -34.432 1.00 0.00 C ATOM 1462 CG ASP A 92 21.899 10.041 -33.784 1.00 0.00 C ATOM 1463 OD1 ASP A 92 21.146 9.152 -34.234 1.00 0.00 O ATOM 1464 OD2 ASP A 92 21.589 10.780 -32.826 1.00 0.00 O ATOM 0 H ASP A 92 23.802 9.636 -32.102 1.00 0.00 H new ATOM 0 HA ASP A 92 23.861 8.171 -34.504 1.00 0.00 H new ATOM 0 HB2 ASP A 92 23.677 11.185 -34.114 1.00 0.00 H new ATOM 0 HB3 ASP A 92 23.135 10.281 -35.514 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -4.749 14.951 -41.981 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -2.771 7.627 -25.008 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.386 2.282 -19.218 1.00 0.00 ZN