USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 Set 1.1: A 66 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-1.7!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc=-0.00204 (180deg=0) USER MOD Set 2.1: A 67 CYS SG : rot 60:sc= -0.343 USER MOD Set 2.2: A 70 CYS SG : rot -43:sc= -1.17 USER MOD Set 2.3: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 83 HIS : no HD1:sc= 0.207 K(o=-2.1,f=-8.6) USER MOD Set 2.5: A 88 HIS : no HE2:sc= -0.839 K(o=-2.1,f=-8.8!) USER MOD Set 3.1: A 46 CYS SG : rot 159:sc= -0.119 USER MOD Set 3.2: A 51 HIS : no HE2:sc= -0.0439 K(o=-0.16,f=-1.3) USER MOD Set 4.1: A 39 CYS SG : rot 171:sc= -0.706 USER MOD Set 4.2: A 42 CYS SG : rot -98:sc= -0.763 USER MOD Set 4.3: A 55 HIS : no HE2:sc= -1.81 K(o=-5.7,f=-9.6!) USER MOD Set 4.4: A 60 HIS : no HE2:sc= -2.45! C(o=-5.7!,f=-12!) USER MOD Set 5.1: A 17 TYR OH : rot 130:sc= -0.14 USER MOD Set 5.2: A 19 SER OG : rot 127:sc= 0 USER MOD Set 5.3: A 24 ASN : amide:sc= -0.255 K(o=-0.39,f=-1.5!) USER MOD Set 6.1: A 12 CYS SG : rot -125:sc= -1.44 USER MOD Set 6.2: A 15 CYS SG : rot 180:sc= -3.58! USER MOD Set 6.3: A 28 HIS : no HD1:sc= -8.81! C(o=-16!,f=-22!) USER MOD Set 6.4: A 32 HIS : no HD1:sc= -2.52! K(o=-16!,f=-20) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 39:sc= -1.65 USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.805 (180deg=-0.712) USER MOD Single : A 14 GLN : amide:sc= -1.02 K(o=-1,f=-0.47) USER MOD Single : A 16 SER OG : rot -53:sc= 0.179 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0779 (180deg=-0.46) USER MOD Single : A 26 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.085) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 65 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.041) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc=-0.00159 (180deg=-0.126) 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= -1.89! K(o=-1.9!,f=-0.7) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -37.859 13.998 -25.033 1.00 0.00 N ATOM 67 CA LYS A 8 -36.557 13.449 -25.392 1.00 0.00 C ATOM 68 C LYS A 8 -35.783 13.026 -24.147 1.00 0.00 C ATOM 69 O LYS A 8 -34.613 13.364 -23.969 1.00 0.00 O ATOM 70 CB LYS A 8 -35.747 14.479 -26.183 1.00 0.00 C ATOM 71 CG LYS A 8 -36.008 14.440 -27.678 1.00 0.00 C ATOM 72 CD LYS A 8 -35.145 15.446 -28.422 1.00 0.00 C ATOM 73 CE LYS A 8 -35.804 15.896 -29.717 1.00 0.00 C ATOM 74 NZ LYS A 8 -35.021 16.967 -30.394 1.00 0.00 N ATOM 0 HA LYS A 8 -36.720 12.569 -26.014 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -35.978 15.476 -25.808 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -34.685 14.309 -26.004 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -35.808 13.438 -28.057 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -37.060 14.650 -27.870 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -34.963 16.312 -27.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -34.174 15.002 -28.642 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -35.908 15.043 -30.387 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -36.810 16.260 -29.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.503 17.247 -31.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -34.943 17.791 -29.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.070 16.612 -30.619 1.00 0.00 H new ATOM 88 N PRO A 9 -36.450 12.267 -23.265 1.00 0.00 N ATOM 89 CA PRO A 9 -35.844 11.780 -22.022 1.00 0.00 C ATOM 90 C PRO A 9 -34.777 10.720 -22.275 1.00 0.00 C ATOM 91 O PRO A 9 -33.801 10.618 -21.531 1.00 0.00 O ATOM 92 CB PRO A 9 -37.028 11.176 -21.263 1.00 0.00 C ATOM 93 CG PRO A 9 -38.007 10.803 -22.322 1.00 0.00 C ATOM 94 CD PRO A 9 -37.848 11.827 -23.412 1.00 0.00 C ATOM 0 HA PRO A 9 -35.333 12.575 -21.479 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -36.723 10.306 -20.682 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -37.456 11.893 -20.563 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -37.811 9.799 -22.698 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -39.024 10.804 -21.931 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -38.033 11.398 -24.397 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -38.545 12.656 -23.290 1.00 0.00 H new ATOM 102 N TYR A 10 -34.968 9.934 -23.329 1.00 0.00 N ATOM 103 CA TYR A 10 -34.023 8.881 -23.678 1.00 0.00 C ATOM 104 C TYR A 10 -32.761 9.467 -24.305 1.00 0.00 C ATOM 105 O TYR A 10 -32.813 10.093 -25.364 1.00 0.00 O ATOM 106 CB TYR A 10 -34.670 7.885 -24.642 1.00 0.00 C ATOM 107 CG TYR A 10 -35.897 7.207 -24.078 1.00 0.00 C ATOM 108 CD1 TYR A 10 -37.112 7.877 -24.002 1.00 0.00 C ATOM 109 CD2 TYR A 10 -35.842 5.896 -23.621 1.00 0.00 C ATOM 110 CE1 TYR A 10 -38.236 7.261 -23.487 1.00 0.00 C ATOM 111 CE2 TYR A 10 -36.962 5.272 -23.105 1.00 0.00 C ATOM 112 CZ TYR A 10 -38.156 5.958 -23.040 1.00 0.00 C ATOM 113 OH TYR A 10 -39.274 5.341 -22.526 1.00 0.00 O ATOM 0 H TYR A 10 -35.769 10.007 -23.956 1.00 0.00 H new ATOM 0 HA TYR A 10 -33.744 8.361 -22.762 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -34.942 8.405 -25.560 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -33.937 7.125 -24.912 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -37.179 8.897 -24.352 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -34.908 5.355 -23.670 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -39.172 7.796 -23.434 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -36.902 4.252 -22.755 1.00 0.00 H new ATOM 0 HH TYR A 10 -40.061 5.601 -23.049 1.00 0.00 H new ATOM 123 N LYS A 11 -31.628 9.259 -23.643 1.00 0.00 N ATOM 124 CA LYS A 11 -30.351 9.764 -24.134 1.00 0.00 C ATOM 125 C LYS A 11 -29.466 8.621 -24.622 1.00 0.00 C ATOM 126 O LYS A 11 -29.585 7.488 -24.157 1.00 0.00 O ATOM 127 CB LYS A 11 -29.631 10.546 -23.033 1.00 0.00 C ATOM 128 CG LYS A 11 -30.005 12.017 -22.987 1.00 0.00 C ATOM 129 CD LYS A 11 -31.425 12.216 -22.484 1.00 0.00 C ATOM 130 CE LYS A 11 -31.825 13.684 -22.509 1.00 0.00 C ATOM 131 NZ LYS A 11 -33.046 13.940 -21.696 1.00 0.00 N ATOM 0 H LYS A 11 -31.568 8.744 -22.765 1.00 0.00 H new ATOM 0 HA LYS A 11 -30.550 10.430 -24.973 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -29.858 10.092 -22.069 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -28.555 10.458 -23.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -29.310 12.550 -22.338 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -29.907 12.450 -23.983 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -32.115 11.639 -23.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -31.509 11.832 -21.467 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -31.003 14.291 -22.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -32.003 13.995 -23.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -32.988 14.888 -21.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -33.887 13.884 -22.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -33.117 13.227 -20.942 1.00 0.00 H new ATOM 145 N CYS A 12 -28.578 8.928 -25.562 1.00 0.00 N ATOM 146 CA CYS A 12 -27.672 7.928 -26.113 1.00 0.00 C ATOM 147 C CYS A 12 -26.368 7.879 -25.321 1.00 0.00 C ATOM 148 O CYS A 12 -25.634 8.862 -25.226 1.00 0.00 O ATOM 149 CB CYS A 12 -27.377 8.231 -27.583 1.00 0.00 C ATOM 150 SG CYS A 12 -26.218 7.063 -28.366 1.00 0.00 S ATOM 0 H CYS A 12 -28.467 9.861 -25.958 1.00 0.00 H new ATOM 0 HA CYS A 12 -28.158 6.955 -26.040 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -28.314 8.224 -28.139 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -26.968 9.238 -27.660 1.00 0.00 H new ATOM 0 HG CYS A 12 -25.223 7.720 -28.884 1.00 0.00 H new ATOM 155 N PRO A 13 -26.073 6.707 -24.739 1.00 0.00 N ATOM 156 CA PRO A 13 -24.858 6.501 -23.945 1.00 0.00 C ATOM 157 C PRO A 13 -23.598 6.503 -24.804 1.00 0.00 C ATOM 158 O PRO A 13 -22.492 6.316 -24.298 1.00 0.00 O ATOM 159 CB PRO A 13 -25.074 5.122 -23.316 1.00 0.00 C ATOM 160 CG PRO A 13 -26.008 4.425 -24.244 1.00 0.00 C ATOM 161 CD PRO A 13 -26.903 5.493 -24.810 1.00 0.00 C ATOM 0 HA PRO A 13 -24.707 7.298 -23.216 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.134 4.579 -23.219 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.499 5.205 -22.316 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -25.462 3.913 -25.036 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -26.589 3.668 -23.717 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -27.199 5.268 -25.835 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -27.820 5.598 -24.230 1.00 0.00 H new ATOM 169 N GLN A 14 -23.773 6.717 -26.104 1.00 0.00 N ATOM 170 CA GLN A 14 -22.649 6.743 -27.032 1.00 0.00 C ATOM 171 C GLN A 14 -22.392 8.160 -27.536 1.00 0.00 C ATOM 172 O GLN A 14 -21.250 8.541 -27.793 1.00 0.00 O ATOM 173 CB GLN A 14 -22.914 5.809 -28.214 1.00 0.00 C ATOM 174 CG GLN A 14 -23.113 4.357 -27.809 1.00 0.00 C ATOM 175 CD GLN A 14 -22.654 3.385 -28.877 1.00 0.00 C ATOM 176 OE1 GLN A 14 -21.508 3.433 -29.326 1.00 0.00 O ATOM 177 NE2 GLN A 14 -23.548 2.495 -29.292 1.00 0.00 N ATOM 0 H GLN A 14 -24.682 6.875 -26.538 1.00 0.00 H new ATOM 0 HA GLN A 14 -21.762 6.400 -26.499 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -23.800 6.154 -28.747 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -22.078 5.872 -28.911 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -22.565 4.163 -26.887 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -24.168 4.185 -27.596 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -24.487 2.491 -28.893 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -23.296 1.816 -30.010 1.00 0.00 H new ATOM 186 N CYS A 15 -23.462 8.936 -27.675 1.00 0.00 N ATOM 187 CA CYS A 15 -23.353 10.310 -28.149 1.00 0.00 C ATOM 188 C CYS A 15 -24.381 11.206 -27.462 1.00 0.00 C ATOM 189 O CYS A 15 -25.099 10.767 -26.564 1.00 0.00 O ATOM 190 CB CYS A 15 -23.545 10.366 -29.666 1.00 0.00 C ATOM 191 SG CYS A 15 -25.287 10.450 -30.192 1.00 0.00 S ATOM 0 H CYS A 15 -24.414 8.636 -27.466 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.356 10.674 -27.902 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -23.016 11.235 -30.057 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -23.084 9.485 -30.113 1.00 0.00 H new ATOM 0 HG CYS A 15 -25.347 10.495 -31.490 1.00 0.00 H new ATOM 196 N SER A 16 -24.444 12.462 -27.891 1.00 0.00 N ATOM 197 CA SER A 16 -25.380 13.420 -27.316 1.00 0.00 C ATOM 198 C SER A 16 -26.729 13.355 -28.027 1.00 0.00 C ATOM 199 O SER A 16 -27.401 14.372 -28.201 1.00 0.00 O ATOM 200 CB SER A 16 -24.812 14.837 -27.405 1.00 0.00 C ATOM 201 OG SER A 16 -25.512 15.723 -26.548 1.00 0.00 O ATOM 0 H SER A 16 -23.858 12.840 -28.635 1.00 0.00 H new ATOM 0 HA SER A 16 -25.528 13.161 -26.268 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.756 14.826 -27.137 1.00 0.00 H new ATOM 0 HB3 SER A 16 -24.876 15.194 -28.433 1.00 0.00 H new ATOM 0 HG SER A 16 -26.473 15.661 -26.728 1.00 0.00 H new ATOM 207 N TYR A 17 -27.118 12.153 -28.435 1.00 0.00 N ATOM 208 CA TYR A 17 -28.385 11.954 -29.129 1.00 0.00 C ATOM 209 C TYR A 17 -29.527 11.767 -28.135 1.00 0.00 C ATOM 210 O TYR A 17 -29.309 11.385 -26.986 1.00 0.00 O ATOM 211 CB TYR A 17 -28.297 10.741 -30.057 1.00 0.00 C ATOM 212 CG TYR A 17 -29.639 10.283 -30.583 1.00 0.00 C ATOM 213 CD1 TYR A 17 -30.203 10.870 -31.708 1.00 0.00 C ATOM 214 CD2 TYR A 17 -30.343 9.264 -29.953 1.00 0.00 C ATOM 215 CE1 TYR A 17 -31.429 10.455 -32.192 1.00 0.00 C ATOM 216 CE2 TYR A 17 -31.568 8.841 -30.430 1.00 0.00 C ATOM 217 CZ TYR A 17 -32.107 9.440 -31.550 1.00 0.00 C ATOM 218 OH TYR A 17 -33.329 9.023 -32.028 1.00 0.00 O ATOM 0 H TYR A 17 -26.574 11.301 -28.297 1.00 0.00 H new ATOM 0 HA TYR A 17 -28.588 12.844 -29.724 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -27.650 10.985 -30.900 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -27.826 9.917 -29.521 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -29.674 11.665 -32.213 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -29.925 8.795 -29.075 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -31.854 10.923 -33.068 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -32.101 8.046 -29.929 1.00 0.00 H new ATOM 0 HH TYR A 17 -33.330 8.047 -32.117 1.00 0.00 H new ATOM 228 N ALA A 18 -30.747 12.039 -28.588 1.00 0.00 N ATOM 229 CA ALA A 18 -31.925 11.899 -27.741 1.00 0.00 C ATOM 230 C ALA A 18 -33.175 11.645 -28.577 1.00 0.00 C ATOM 231 O ALA A 18 -33.220 11.978 -29.761 1.00 0.00 O ATOM 232 CB ALA A 18 -32.107 13.140 -26.880 1.00 0.00 C ATOM 0 H ALA A 18 -30.945 12.357 -29.537 1.00 0.00 H new ATOM 0 HA ALA A 18 -31.774 11.038 -27.090 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -32.990 13.021 -26.253 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -31.229 13.277 -26.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -32.232 14.013 -27.521 1.00 0.00 H new ATOM 238 N SER A 19 -34.188 11.052 -27.953 1.00 0.00 N ATOM 239 CA SER A 19 -35.437 10.748 -28.641 1.00 0.00 C ATOM 240 C SER A 19 -36.581 10.588 -27.644 1.00 0.00 C ATOM 241 O SER A 19 -36.357 10.462 -26.441 1.00 0.00 O ATOM 242 CB SER A 19 -35.288 9.474 -29.474 1.00 0.00 C ATOM 243 OG SER A 19 -36.143 9.501 -30.604 1.00 0.00 O ATOM 0 H SER A 19 -34.168 10.773 -26.972 1.00 0.00 H new ATOM 0 HA SER A 19 -35.670 11.581 -29.304 1.00 0.00 H new ATOM 0 HB2 SER A 19 -34.253 9.367 -29.799 1.00 0.00 H new ATOM 0 HB3 SER A 19 -35.520 8.604 -28.859 1.00 0.00 H new ATOM 0 HG SER A 19 -35.620 9.324 -31.414 1.00 0.00 H new ATOM 249 N ALA A 20 -37.807 10.593 -28.155 1.00 0.00 N ATOM 250 CA ALA A 20 -38.987 10.446 -27.312 1.00 0.00 C ATOM 251 C ALA A 20 -39.532 9.023 -27.373 1.00 0.00 C ATOM 252 O ALA A 20 -40.710 8.788 -27.103 1.00 0.00 O ATOM 253 CB ALA A 20 -40.060 11.443 -27.726 1.00 0.00 C ATOM 0 H ALA A 20 -38.009 10.697 -29.149 1.00 0.00 H new ATOM 0 HA ALA A 20 -38.695 10.651 -26.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -40.935 11.322 -27.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -39.674 12.457 -27.623 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -40.341 11.265 -28.764 1.00 0.00 H new ATOM 259 N ILE A 21 -38.669 8.079 -27.731 1.00 0.00 N ATOM 260 CA ILE A 21 -39.065 6.679 -27.827 1.00 0.00 C ATOM 261 C ILE A 21 -37.876 5.754 -27.592 1.00 0.00 C ATOM 262 O ILE A 21 -36.793 5.965 -28.139 1.00 0.00 O ATOM 263 CB ILE A 21 -39.683 6.363 -29.202 1.00 0.00 C ATOM 264 CG1 ILE A 21 -40.863 7.296 -29.482 1.00 0.00 C ATOM 265 CG2 ILE A 21 -40.126 4.908 -29.261 1.00 0.00 C ATOM 266 CD1 ILE A 21 -41.442 7.138 -30.870 1.00 0.00 C ATOM 0 H ILE A 21 -37.691 8.258 -27.959 1.00 0.00 H new ATOM 0 HA ILE A 21 -39.813 6.508 -27.053 1.00 0.00 H new ATOM 0 HB ILE A 21 -38.926 6.524 -29.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -41.646 7.109 -28.747 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -40.540 8.328 -29.347 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -40.561 4.699 -30.239 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -39.265 4.259 -29.101 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -40.870 4.722 -28.486 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -42.274 7.830 -30.998 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -40.673 7.354 -31.612 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -41.797 6.116 -31.002 1.00 0.00 H new ATOM 278 N LYS A 22 -38.085 4.727 -26.776 1.00 0.00 N ATOM 279 CA LYS A 22 -37.032 3.765 -26.470 1.00 0.00 C ATOM 280 C LYS A 22 -36.530 3.085 -27.740 1.00 0.00 C ATOM 281 O LYS A 22 -35.332 3.080 -28.020 1.00 0.00 O ATOM 282 CB LYS A 22 -37.545 2.714 -25.484 1.00 0.00 C ATOM 283 CG LYS A 22 -39.040 2.462 -25.585 1.00 0.00 C ATOM 284 CD LYS A 22 -39.821 3.362 -24.642 1.00 0.00 C ATOM 285 CE LYS A 22 -40.085 2.679 -23.309 1.00 0.00 C ATOM 286 NZ LYS A 22 -40.997 1.511 -23.456 1.00 0.00 N ATOM 0 H LYS A 22 -38.975 4.539 -26.314 1.00 0.00 H new ATOM 0 HA LYS A 22 -36.201 4.305 -26.016 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -37.015 1.777 -25.656 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -37.307 3.033 -24.469 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -39.370 2.633 -26.610 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -39.251 1.418 -25.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -39.266 4.285 -24.475 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -40.769 3.639 -25.104 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -39.140 2.350 -22.876 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -40.522 3.396 -22.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -41.472 1.325 -22.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -41.710 1.717 -24.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -40.447 0.674 -23.737 1.00 0.00 H new ATOM 300 N ALA A 23 -37.455 2.514 -28.504 1.00 0.00 N ATOM 301 CA ALA A 23 -37.106 1.834 -29.746 1.00 0.00 C ATOM 302 C ALA A 23 -36.114 2.656 -30.562 1.00 0.00 C ATOM 303 O ALA A 23 -35.090 2.144 -31.010 1.00 0.00 O ATOM 304 CB ALA A 23 -38.358 1.551 -30.562 1.00 0.00 C ATOM 0 H ALA A 23 -38.451 2.508 -28.285 1.00 0.00 H new ATOM 0 HA ALA A 23 -36.630 0.887 -29.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.083 1.043 -31.486 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.032 0.917 -29.986 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.858 2.490 -30.799 1.00 0.00 H new ATOM 310 N ASN A 24 -36.427 3.934 -30.752 1.00 0.00 N ATOM 311 CA ASN A 24 -35.564 4.827 -31.516 1.00 0.00 C ATOM 312 C ASN A 24 -34.135 4.790 -30.982 1.00 0.00 C ATOM 313 O ASN A 24 -33.181 4.622 -31.743 1.00 0.00 O ATOM 314 CB ASN A 24 -36.102 6.258 -31.464 1.00 0.00 C ATOM 315 CG ASN A 24 -37.028 6.570 -32.624 1.00 0.00 C ATOM 316 OD1 ASN A 24 -36.844 6.066 -33.732 1.00 0.00 O ATOM 317 ND2 ASN A 24 -38.029 7.405 -32.374 1.00 0.00 N ATOM 0 H ASN A 24 -37.272 4.374 -30.387 1.00 0.00 H new ATOM 0 HA ASN A 24 -35.556 4.486 -32.551 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -36.636 6.409 -30.526 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -35.266 6.958 -31.471 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -38.684 7.653 -33.116 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -38.143 7.799 -31.440 1.00 0.00 H new ATOM 324 N LEU A 25 -33.995 4.946 -29.671 1.00 0.00 N ATOM 325 CA LEU A 25 -32.682 4.930 -29.034 1.00 0.00 C ATOM 326 C LEU A 25 -31.901 3.681 -29.429 1.00 0.00 C ATOM 327 O LEU A 25 -30.683 3.725 -29.595 1.00 0.00 O ATOM 328 CB LEU A 25 -32.830 4.993 -27.513 1.00 0.00 C ATOM 329 CG LEU A 25 -31.535 5.165 -26.719 1.00 0.00 C ATOM 330 CD1 LEU A 25 -30.841 6.462 -27.105 1.00 0.00 C ATOM 331 CD2 LEU A 25 -31.818 5.134 -25.224 1.00 0.00 C ATOM 0 H LEU A 25 -34.774 5.085 -29.027 1.00 0.00 H new ATOM 0 HA LEU A 25 -32.129 5.805 -29.375 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -33.496 5.820 -27.267 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -33.320 4.079 -27.178 1.00 0.00 H new ATOM 0 HG LEU A 25 -30.870 4.335 -26.960 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -29.921 6.568 -26.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -30.604 6.445 -28.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -31.500 7.304 -26.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -30.885 5.258 -24.674 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -32.501 5.943 -24.966 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -32.271 4.179 -24.959 1.00 0.00 H new ATOM 343 N ASN A 26 -32.611 2.568 -29.581 1.00 0.00 N ATOM 344 CA ASN A 26 -31.985 1.306 -29.958 1.00 0.00 C ATOM 345 C ASN A 26 -31.454 1.369 -31.387 1.00 0.00 C ATOM 346 O ASN A 26 -30.276 1.109 -31.635 1.00 0.00 O ATOM 347 CB ASN A 26 -32.984 0.156 -29.824 1.00 0.00 C ATOM 348 CG ASN A 26 -33.365 -0.114 -28.381 1.00 0.00 C ATOM 349 OD1 ASN A 26 -32.706 -0.890 -27.688 1.00 0.00 O ATOM 350 ND2 ASN A 26 -34.433 0.527 -27.921 1.00 0.00 N ATOM 0 H ASN A 26 -33.621 2.514 -29.449 1.00 0.00 H new ATOM 0 HA ASN A 26 -31.147 1.129 -29.284 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -33.882 0.390 -30.396 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -32.555 -0.747 -30.259 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -34.737 0.385 -26.958 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -34.949 1.161 -28.531 1.00 0.00 H new ATOM 357 N VAL A 27 -32.330 1.717 -32.324 1.00 0.00 N ATOM 358 CA VAL A 27 -31.950 1.816 -33.728 1.00 0.00 C ATOM 359 C VAL A 27 -30.853 2.856 -33.928 1.00 0.00 C ATOM 360 O VAL A 27 -29.977 2.694 -34.779 1.00 0.00 O ATOM 361 CB VAL A 27 -33.157 2.183 -34.612 1.00 0.00 C ATOM 362 CG1 VAL A 27 -33.245 3.690 -34.796 1.00 0.00 C ATOM 363 CG2 VAL A 27 -33.066 1.477 -35.956 1.00 0.00 C ATOM 0 H VAL A 27 -33.308 1.935 -32.136 1.00 0.00 H new ATOM 0 HA VAL A 27 -31.577 0.836 -34.025 1.00 0.00 H new ATOM 0 HB VAL A 27 -34.067 1.849 -34.113 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -34.103 3.930 -35.423 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -33.360 4.169 -33.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -32.334 4.052 -35.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -33.926 1.747 -36.568 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -32.150 1.779 -36.464 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -33.056 0.398 -35.800 1.00 0.00 H new ATOM 373 N HIS A 28 -30.905 3.923 -33.138 1.00 0.00 N ATOM 374 CA HIS A 28 -29.915 4.990 -33.227 1.00 0.00 C ATOM 375 C HIS A 28 -28.534 4.486 -32.819 1.00 0.00 C ATOM 376 O HIS A 28 -27.522 4.876 -33.401 1.00 0.00 O ATOM 377 CB HIS A 28 -30.322 6.169 -32.343 1.00 0.00 C ATOM 378 CG HIS A 28 -29.233 7.179 -32.152 1.00 0.00 C ATOM 379 ND1 HIS A 28 -29.013 8.222 -33.026 1.00 0.00 N ATOM 380 CD2 HIS A 28 -28.301 7.303 -31.178 1.00 0.00 C ATOM 381 CE1 HIS A 28 -27.991 8.943 -32.599 1.00 0.00 C ATOM 382 NE2 HIS A 28 -27.541 8.406 -31.479 1.00 0.00 N ATOM 0 H HIS A 28 -31.623 4.072 -32.429 1.00 0.00 H new ATOM 0 HA HIS A 28 -29.869 5.323 -34.264 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -31.189 6.661 -32.784 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -30.631 5.792 -31.368 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -28.178 6.655 -30.323 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -27.592 9.822 -33.083 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -26.757 8.754 -30.928 1.00 0.00 H new ATOM 390 N LEU A 29 -28.501 3.616 -31.814 1.00 0.00 N ATOM 391 CA LEU A 29 -27.244 3.058 -31.327 1.00 0.00 C ATOM 392 C LEU A 29 -26.596 2.170 -32.384 1.00 0.00 C ATOM 393 O LEU A 29 -25.373 2.043 -32.437 1.00 0.00 O ATOM 394 CB LEU A 29 -27.483 2.256 -30.047 1.00 0.00 C ATOM 395 CG LEU A 29 -27.871 3.066 -28.809 1.00 0.00 C ATOM 396 CD1 LEU A 29 -28.564 2.179 -27.787 1.00 0.00 C ATOM 397 CD2 LEU A 29 -26.644 3.727 -28.199 1.00 0.00 C ATOM 0 H LEU A 29 -29.330 3.282 -31.321 1.00 0.00 H new ATOM 0 HA LEU A 29 -26.567 3.885 -31.110 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -28.270 1.527 -30.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -26.577 1.694 -29.820 1.00 0.00 H new ATOM 0 HG LEU A 29 -28.567 3.848 -29.113 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.833 2.772 -26.913 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.465 1.752 -28.227 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -27.891 1.375 -27.487 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -26.938 4.299 -27.319 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -25.924 2.961 -27.910 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -26.189 4.395 -28.930 1.00 0.00 H new ATOM 409 N ARG A 30 -27.425 1.559 -33.225 1.00 0.00 N ATOM 410 CA ARG A 30 -26.932 0.684 -34.282 1.00 0.00 C ATOM 411 C ARG A 30 -26.014 1.445 -35.234 1.00 0.00 C ATOM 412 O ARG A 30 -25.044 0.892 -35.753 1.00 0.00 O ATOM 413 CB ARG A 30 -28.103 0.080 -35.059 1.00 0.00 C ATOM 414 CG ARG A 30 -29.022 -0.779 -34.206 1.00 0.00 C ATOM 415 CD ARG A 30 -30.284 -1.166 -34.962 1.00 0.00 C ATOM 416 NE ARG A 30 -30.086 -2.357 -35.784 1.00 0.00 N ATOM 417 CZ ARG A 30 -30.988 -2.814 -36.644 1.00 0.00 C ATOM 418 NH1 ARG A 30 -32.145 -2.184 -36.794 1.00 0.00 N ATOM 419 NH2 ARG A 30 -30.735 -3.905 -37.356 1.00 0.00 N ATOM 0 H ARG A 30 -28.440 1.654 -33.195 1.00 0.00 H new ATOM 0 HA ARG A 30 -26.359 -0.119 -33.818 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -28.685 0.886 -35.507 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -27.712 -0.524 -35.878 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -28.493 -1.679 -33.893 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -29.291 -0.237 -33.300 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -31.091 -1.346 -34.252 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -30.596 -0.336 -35.596 1.00 0.00 H new ATOM 0 HE ARG A 30 -29.207 -2.865 -35.692 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -32.344 -1.346 -36.248 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -32.836 -2.538 -37.456 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.847 -4.393 -37.243 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -31.429 -4.255 -38.017 1.00 0.00 H new ATOM 433 N LYS A 31 -26.327 2.717 -35.459 1.00 0.00 N ATOM 434 CA LYS A 31 -25.530 3.555 -36.348 1.00 0.00 C ATOM 435 C LYS A 31 -24.118 3.737 -35.802 1.00 0.00 C ATOM 436 O LYS A 31 -23.148 3.770 -36.561 1.00 0.00 O ATOM 437 CB LYS A 31 -26.199 4.919 -36.530 1.00 0.00 C ATOM 438 CG LYS A 31 -27.683 4.833 -36.841 1.00 0.00 C ATOM 439 CD LYS A 31 -28.271 6.203 -37.136 1.00 0.00 C ATOM 440 CE LYS A 31 -29.772 6.229 -36.890 1.00 0.00 C ATOM 441 NZ LYS A 31 -30.465 7.192 -37.790 1.00 0.00 N ATOM 0 H LYS A 31 -27.127 3.190 -35.038 1.00 0.00 H new ATOM 0 HA LYS A 31 -25.464 3.057 -37.316 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -26.060 5.506 -35.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -25.698 5.455 -37.336 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -27.839 4.177 -37.697 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -28.207 4.385 -35.997 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -27.785 6.951 -36.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -28.066 6.473 -38.172 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -30.182 5.231 -37.042 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -29.965 6.499 -35.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -31.486 7.180 -37.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -30.092 8.149 -37.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -30.302 6.920 -38.781 1.00 0.00 H new ATOM 455 N HIS A 32 -24.008 3.854 -34.483 1.00 0.00 N ATOM 456 CA HIS A 32 -22.713 4.032 -33.836 1.00 0.00 C ATOM 457 C HIS A 32 -21.807 2.832 -34.096 1.00 0.00 C ATOM 458 O HIS A 32 -20.587 2.970 -34.189 1.00 0.00 O ATOM 459 CB HIS A 32 -22.893 4.232 -32.331 1.00 0.00 C ATOM 460 CG HIS A 32 -23.311 5.621 -31.958 1.00 0.00 C ATOM 461 ND1 HIS A 32 -22.598 6.744 -32.321 1.00 0.00 N ATOM 462 CD2 HIS A 32 -24.376 6.066 -31.250 1.00 0.00 C ATOM 463 CE1 HIS A 32 -23.205 7.820 -31.852 1.00 0.00 C ATOM 464 NE2 HIS A 32 -24.287 7.435 -31.199 1.00 0.00 N ATOM 0 H HIS A 32 -24.800 3.829 -33.841 1.00 0.00 H new ATOM 0 HA HIS A 32 -22.243 4.920 -34.259 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -23.639 3.526 -31.966 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -21.956 3.995 -31.827 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -25.151 5.457 -30.808 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -22.873 8.840 -31.981 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -24.949 8.055 -30.732 1.00 0.00 H new ATOM 508 N LYS A 36 -14.818 0.540 -32.964 1.00 0.00 N ATOM 509 CA LYS A 36 -14.833 0.854 -31.540 1.00 0.00 C ATOM 510 C LYS A 36 -13.452 0.650 -30.924 1.00 0.00 C ATOM 511 O LYS A 36 -13.008 -0.482 -30.732 1.00 0.00 O ATOM 512 CB LYS A 36 -15.860 -0.017 -30.814 1.00 0.00 C ATOM 513 CG LYS A 36 -17.298 0.302 -31.185 1.00 0.00 C ATOM 514 CD LYS A 36 -18.250 0.000 -30.039 1.00 0.00 C ATOM 515 CE LYS A 36 -19.474 0.901 -30.079 1.00 0.00 C ATOM 516 NZ LYS A 36 -20.581 0.299 -30.873 1.00 0.00 N ATOM 0 HA LYS A 36 -15.111 1.902 -31.428 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.659 -1.065 -31.039 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.735 0.108 -29.738 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.379 1.354 -31.459 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.586 -0.279 -32.061 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.563 -1.043 -30.090 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.731 0.131 -29.089 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.818 1.091 -29.062 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.201 1.865 -30.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.397 0.944 -30.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.261 0.141 -31.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.859 -0.609 -30.448 1.00 0.00 H new ATOM 530 N PHE A 37 -12.779 1.753 -30.614 1.00 0.00 N ATOM 531 CA PHE A 37 -11.449 1.695 -30.019 1.00 0.00 C ATOM 532 C PHE A 37 -11.534 1.697 -28.495 1.00 0.00 C ATOM 533 O PHE A 37 -11.821 2.723 -27.880 1.00 0.00 O ATOM 534 CB PHE A 37 -10.602 2.877 -30.494 1.00 0.00 C ATOM 535 CG PHE A 37 -10.511 2.986 -31.990 1.00 0.00 C ATOM 536 CD1 PHE A 37 -9.502 2.340 -32.685 1.00 0.00 C ATOM 537 CD2 PHE A 37 -11.435 3.735 -32.700 1.00 0.00 C ATOM 538 CE1 PHE A 37 -9.415 2.439 -34.060 1.00 0.00 C ATOM 539 CE2 PHE A 37 -11.354 3.837 -34.077 1.00 0.00 C ATOM 540 CZ PHE A 37 -10.343 3.188 -34.757 1.00 0.00 C ATOM 0 H PHE A 37 -13.133 2.698 -30.765 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.976 0.766 -30.338 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.024 3.800 -30.095 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.597 2.782 -30.083 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.775 1.752 -32.145 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.227 4.245 -32.172 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.622 1.931 -34.589 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.081 4.424 -34.619 1.00 0.00 H new ATOM 0 HZ PHE A 37 -10.278 3.266 -35.832 1.00 0.00 H new ATOM 550 N ALA A 38 -11.284 0.538 -27.893 1.00 0.00 N ATOM 551 CA ALA A 38 -11.331 0.406 -26.443 1.00 0.00 C ATOM 552 C ALA A 38 -9.995 0.787 -25.813 1.00 0.00 C ATOM 553 O ALA A 38 -8.938 0.610 -26.419 1.00 0.00 O ATOM 554 CB ALA A 38 -11.713 -1.015 -26.055 1.00 0.00 C ATOM 0 H ALA A 38 -11.047 -0.322 -28.388 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.090 1.091 -26.065 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.744 -1.100 -24.969 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.694 -1.253 -26.466 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.975 -1.712 -26.452 1.00 0.00 H new ATOM 560 N CYS A 39 -10.050 1.312 -24.593 1.00 0.00 N ATOM 561 CA CYS A 39 -8.845 1.720 -23.881 1.00 0.00 C ATOM 562 C CYS A 39 -8.103 0.506 -23.328 1.00 0.00 C ATOM 563 O CYS A 39 -8.715 -0.414 -22.786 1.00 0.00 O ATOM 564 CB CYS A 39 -9.200 2.677 -22.742 1.00 0.00 C ATOM 565 SG CYS A 39 -7.772 3.203 -21.740 1.00 0.00 S ATOM 0 H CYS A 39 -10.917 1.465 -24.077 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.192 2.233 -24.587 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.681 3.561 -23.161 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.929 2.195 -22.091 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.135 4.157 -20.935 1.00 0.00 H new ATOM 570 N ASP A 40 -6.782 0.513 -23.469 1.00 0.00 N ATOM 571 CA ASP A 40 -5.956 -0.586 -22.983 1.00 0.00 C ATOM 572 C ASP A 40 -5.589 -0.382 -21.516 1.00 0.00 C ATOM 573 O ASP A 40 -4.596 -0.927 -21.033 1.00 0.00 O ATOM 574 CB ASP A 40 -4.686 -0.710 -23.827 1.00 0.00 C ATOM 575 CG ASP A 40 -4.858 -1.661 -24.995 1.00 0.00 C ATOM 576 OD1 ASP A 40 -5.997 -1.795 -25.489 1.00 0.00 O ATOM 577 OD2 ASP A 40 -3.853 -2.271 -25.415 1.00 0.00 O ATOM 0 H ASP A 40 -6.260 1.267 -23.916 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.532 -1.507 -23.070 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.405 0.274 -24.202 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.867 -1.057 -23.197 1.00 0.00 H new ATOM 582 N TYR A 41 -6.395 0.406 -20.814 1.00 0.00 N ATOM 583 CA TYR A 41 -6.154 0.685 -19.404 1.00 0.00 C ATOM 584 C TYR A 41 -7.422 0.478 -18.582 1.00 0.00 C ATOM 585 O TYR A 41 -7.369 0.026 -17.438 1.00 0.00 O ATOM 586 CB TYR A 41 -5.645 2.116 -19.225 1.00 0.00 C ATOM 587 CG TYR A 41 -4.363 2.402 -19.975 1.00 0.00 C ATOM 588 CD1 TYR A 41 -4.323 2.357 -21.363 1.00 0.00 C ATOM 589 CD2 TYR A 41 -3.193 2.717 -19.295 1.00 0.00 C ATOM 590 CE1 TYR A 41 -3.154 2.616 -22.052 1.00 0.00 C ATOM 591 CE2 TYR A 41 -2.020 2.979 -19.976 1.00 0.00 C ATOM 592 CZ TYR A 41 -2.005 2.927 -21.354 1.00 0.00 C ATOM 593 OH TYR A 41 -0.839 3.187 -22.037 1.00 0.00 O ATOM 0 H TYR A 41 -7.222 0.863 -21.199 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.395 -0.011 -19.048 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.415 2.811 -19.560 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.485 2.306 -18.164 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.221 2.115 -21.913 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.201 2.758 -18.216 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.139 2.575 -23.131 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.119 3.223 -19.432 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.124 3.390 -21.398 1.00 0.00 H new ATOM 603 N CYS A 42 -8.564 0.811 -19.175 1.00 0.00 N ATOM 604 CA CYS A 42 -9.848 0.663 -18.501 1.00 0.00 C ATOM 605 C CYS A 42 -10.924 0.193 -19.476 1.00 0.00 C ATOM 606 O CYS A 42 -10.642 -0.077 -20.644 1.00 0.00 O ATOM 607 CB CYS A 42 -10.268 1.988 -17.861 1.00 0.00 C ATOM 608 SG CYS A 42 -10.571 3.328 -19.057 1.00 0.00 S ATOM 0 H CYS A 42 -8.626 1.185 -20.122 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.735 -0.090 -17.721 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.173 1.826 -17.276 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.491 2.305 -17.165 1.00 0.00 H new ATOM 0 HG CYS A 42 -9.515 4.082 -19.140 1.00 0.00 H new ATOM 613 N SER A 43 -12.156 0.099 -18.989 1.00 0.00 N ATOM 614 CA SER A 43 -13.274 -0.341 -19.816 1.00 0.00 C ATOM 615 C SER A 43 -13.836 0.819 -20.632 1.00 0.00 C ATOM 616 O SER A 43 -15.045 0.919 -20.839 1.00 0.00 O ATOM 617 CB SER A 43 -14.375 -0.946 -18.942 1.00 0.00 C ATOM 618 OG SER A 43 -14.758 -0.051 -17.912 1.00 0.00 O ATOM 0 H SER A 43 -12.406 0.322 -18.026 1.00 0.00 H new ATOM 0 HA SER A 43 -12.907 -1.102 -20.505 1.00 0.00 H new ATOM 0 HB2 SER A 43 -15.241 -1.188 -19.558 1.00 0.00 H new ATOM 0 HB3 SER A 43 -14.024 -1.880 -18.504 1.00 0.00 H new ATOM 0 HG SER A 43 -15.464 -0.460 -17.369 1.00 0.00 H new ATOM 624 N PHE A 44 -12.948 1.694 -21.093 1.00 0.00 N ATOM 625 CA PHE A 44 -13.354 2.848 -21.886 1.00 0.00 C ATOM 626 C PHE A 44 -13.382 2.505 -23.372 1.00 0.00 C ATOM 627 O PHE A 44 -12.700 1.583 -23.822 1.00 0.00 O ATOM 628 CB PHE A 44 -12.404 4.022 -21.640 1.00 0.00 C ATOM 629 CG PHE A 44 -12.588 5.155 -22.609 1.00 0.00 C ATOM 630 CD1 PHE A 44 -11.916 5.164 -23.821 1.00 0.00 C ATOM 631 CD2 PHE A 44 -13.432 6.212 -22.307 1.00 0.00 C ATOM 632 CE1 PHE A 44 -12.084 6.206 -24.714 1.00 0.00 C ATOM 633 CE2 PHE A 44 -13.604 7.255 -23.197 1.00 0.00 C ATOM 634 CZ PHE A 44 -12.928 7.253 -24.401 1.00 0.00 C ATOM 0 H PHE A 44 -11.943 1.626 -20.931 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.360 3.133 -21.578 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -12.553 4.394 -20.626 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.376 3.666 -21.701 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.254 4.348 -24.071 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.961 6.221 -21.366 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.555 6.201 -25.656 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.267 8.071 -22.951 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.059 8.069 -25.097 1.00 0.00 H new ATOM 644 N THR A 45 -14.178 3.252 -24.132 1.00 0.00 N ATOM 645 CA THR A 45 -14.297 3.026 -25.567 1.00 0.00 C ATOM 646 C THR A 45 -14.579 4.329 -26.306 1.00 0.00 C ATOM 647 O THR A 45 -15.158 5.260 -25.745 1.00 0.00 O ATOM 648 CB THR A 45 -15.416 2.016 -25.885 1.00 0.00 C ATOM 649 OG1 THR A 45 -16.594 2.338 -25.139 1.00 0.00 O ATOM 650 CG2 THR A 45 -14.973 0.598 -25.558 1.00 0.00 C ATOM 0 H THR A 45 -14.750 4.019 -23.777 1.00 0.00 H new ATOM 0 HA THR A 45 -13.344 2.619 -25.904 1.00 0.00 H new ATOM 0 HB THR A 45 -15.636 2.074 -26.951 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.301 1.692 -25.348 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.779 -0.098 -25.791 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.094 0.346 -26.151 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.728 0.529 -24.498 1.00 0.00 H new ATOM 658 N CYS A 46 -14.167 4.389 -27.568 1.00 0.00 N ATOM 659 CA CYS A 46 -14.375 5.579 -28.385 1.00 0.00 C ATOM 660 C CYS A 46 -14.450 5.216 -29.864 1.00 0.00 C ATOM 661 O CYS A 46 -13.911 4.194 -30.292 1.00 0.00 O ATOM 662 CB CYS A 46 -13.250 6.587 -28.150 1.00 0.00 C ATOM 663 SG CYS A 46 -13.757 8.314 -28.326 1.00 0.00 S ATOM 0 H CYS A 46 -13.687 3.627 -28.047 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.323 6.030 -28.092 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.847 6.438 -27.148 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -12.442 6.383 -28.852 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.916 9.080 -27.697 1.00 0.00 H new ATOM 669 N LEU A 47 -15.122 6.059 -30.641 1.00 0.00 N ATOM 670 CA LEU A 47 -15.269 5.827 -32.074 1.00 0.00 C ATOM 671 C LEU A 47 -14.076 6.388 -32.842 1.00 0.00 C ATOM 672 O LEU A 47 -13.691 5.858 -33.884 1.00 0.00 O ATOM 673 CB LEU A 47 -16.563 6.464 -32.584 1.00 0.00 C ATOM 674 CG LEU A 47 -17.861 5.901 -32.005 1.00 0.00 C ATOM 675 CD1 LEU A 47 -19.055 6.714 -32.481 1.00 0.00 C ATOM 676 CD2 LEU A 47 -18.024 4.436 -32.385 1.00 0.00 C ATOM 0 H LEU A 47 -15.573 6.909 -30.303 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.311 4.751 -32.240 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.527 7.532 -32.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.595 6.356 -33.668 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.811 5.970 -30.918 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.970 6.298 -32.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.943 7.749 -32.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.109 6.678 -33.569 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.953 4.052 -31.964 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.051 4.343 -33.471 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.184 3.863 -31.993 1.00 0.00 H new ATOM 688 N SER A 48 -13.493 7.462 -32.318 1.00 0.00 N ATOM 689 CA SER A 48 -12.345 8.095 -32.955 1.00 0.00 C ATOM 690 C SER A 48 -11.044 7.652 -32.293 1.00 0.00 C ATOM 691 O SER A 48 -10.780 7.977 -31.135 1.00 0.00 O ATOM 692 CB SER A 48 -12.473 9.618 -32.885 1.00 0.00 C ATOM 693 OG SER A 48 -11.313 10.251 -33.398 1.00 0.00 O ATOM 0 H SER A 48 -13.797 7.911 -31.454 1.00 0.00 H new ATOM 0 HA SER A 48 -12.324 7.786 -34.000 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.347 9.939 -33.451 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.632 9.926 -31.852 1.00 0.00 H new ATOM 0 HG SER A 48 -11.420 11.224 -33.344 1.00 0.00 H new ATOM 699 N LYS A 49 -10.233 6.908 -33.037 1.00 0.00 N ATOM 700 CA LYS A 49 -8.957 6.420 -32.525 1.00 0.00 C ATOM 701 C LYS A 49 -8.130 7.563 -31.947 1.00 0.00 C ATOM 702 O LYS A 49 -7.579 7.451 -30.852 1.00 0.00 O ATOM 703 CB LYS A 49 -8.173 5.720 -33.638 1.00 0.00 C ATOM 704 CG LYS A 49 -6.885 5.072 -33.158 1.00 0.00 C ATOM 705 CD LYS A 49 -5.879 4.928 -34.288 1.00 0.00 C ATOM 706 CE LYS A 49 -6.126 3.664 -35.097 1.00 0.00 C ATOM 707 NZ LYS A 49 -5.006 3.378 -36.035 1.00 0.00 N ATOM 0 H LYS A 49 -10.436 6.629 -33.997 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.162 5.705 -31.728 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.806 4.958 -34.093 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.937 6.445 -34.417 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.451 5.671 -32.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.105 4.091 -32.738 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.939 5.798 -34.943 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.870 4.907 -33.877 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.257 2.820 -34.420 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.053 3.769 -35.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.213 2.509 -36.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.896 4.172 -36.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.125 3.253 -35.496 1.00 0.00 H new ATOM 721 N GLY A 50 -8.047 8.663 -32.689 1.00 0.00 N ATOM 722 CA GLY A 50 -7.286 9.811 -32.232 1.00 0.00 C ATOM 723 C GLY A 50 -7.688 10.256 -30.840 1.00 0.00 C ATOM 724 O GLY A 50 -6.838 10.627 -30.030 1.00 0.00 O ATOM 0 H GLY A 50 -8.493 8.780 -33.599 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.224 9.565 -32.239 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.427 10.637 -32.929 1.00 0.00 H new ATOM 728 N HIS A 51 -8.987 10.221 -30.561 1.00 0.00 N ATOM 729 CA HIS A 51 -9.500 10.626 -29.257 1.00 0.00 C ATOM 730 C HIS A 51 -9.058 9.648 -28.172 1.00 0.00 C ATOM 731 O HIS A 51 -8.541 10.053 -27.130 1.00 0.00 O ATOM 732 CB HIS A 51 -11.026 10.713 -29.291 1.00 0.00 C ATOM 733 CG HIS A 51 -11.597 11.625 -28.249 1.00 0.00 C ATOM 734 ND1 HIS A 51 -12.922 11.596 -27.867 1.00 0.00 N ATOM 735 CD2 HIS A 51 -11.014 12.595 -27.506 1.00 0.00 C ATOM 736 CE1 HIS A 51 -13.130 12.509 -26.936 1.00 0.00 C ATOM 737 NE2 HIS A 51 -11.988 13.129 -26.699 1.00 0.00 N ATOM 0 H HIS A 51 -9.703 9.916 -31.220 1.00 0.00 H new ATOM 0 HA HIS A 51 -9.093 11.610 -29.023 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.340 11.058 -30.276 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.442 9.715 -29.156 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -13.631 10.967 -28.245 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.977 12.893 -27.541 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.073 12.714 -26.451 1.00 0.00 H new ATOM 745 N LEU A 52 -9.265 8.360 -28.424 1.00 0.00 N ATOM 746 CA LEU A 52 -8.888 7.324 -27.468 1.00 0.00 C ATOM 747 C LEU A 52 -7.506 7.599 -26.884 1.00 0.00 C ATOM 748 O LEU A 52 -7.303 7.509 -25.673 1.00 0.00 O ATOM 749 CB LEU A 52 -8.906 5.951 -28.142 1.00 0.00 C ATOM 750 CG LEU A 52 -8.340 4.793 -27.319 1.00 0.00 C ATOM 751 CD1 LEU A 52 -9.038 4.704 -25.971 1.00 0.00 C ATOM 752 CD2 LEU A 52 -8.477 3.482 -28.080 1.00 0.00 C ATOM 0 H LEU A 52 -9.691 8.008 -29.281 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.614 7.332 -26.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.936 5.712 -28.408 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.343 6.018 -29.073 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.281 4.980 -27.144 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.622 3.874 -25.400 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.889 5.634 -25.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.105 4.540 -26.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.069 2.669 -27.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.530 3.289 -28.285 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.930 3.548 -29.021 1.00 0.00 H new ATOM 764 N LYS A 53 -6.559 7.936 -27.752 1.00 0.00 N ATOM 765 CA LYS A 53 -5.196 8.227 -27.324 1.00 0.00 C ATOM 766 C LYS A 53 -5.182 9.320 -26.260 1.00 0.00 C ATOM 767 O LYS A 53 -4.503 9.200 -25.240 1.00 0.00 O ATOM 768 CB LYS A 53 -4.343 8.654 -28.521 1.00 0.00 C ATOM 769 CG LYS A 53 -3.105 9.444 -28.134 1.00 0.00 C ATOM 770 CD LYS A 53 -2.406 10.018 -29.355 1.00 0.00 C ATOM 771 CE LYS A 53 -1.710 11.332 -29.033 1.00 0.00 C ATOM 772 NZ LYS A 53 -0.673 11.673 -30.046 1.00 0.00 N ATOM 0 H LYS A 53 -6.710 8.015 -28.758 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.776 7.319 -26.892 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.039 7.766 -29.075 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.953 9.256 -29.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.385 10.253 -27.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.416 8.799 -27.589 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.676 9.300 -29.728 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.133 10.176 -30.151 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.449 12.132 -28.986 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.248 11.266 -28.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.222 12.575 -29.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.046 10.922 -30.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.118 11.761 -30.982 1.00 0.00 H new ATOM 786 N VAL A 54 -5.937 10.387 -26.504 1.00 0.00 N ATOM 787 CA VAL A 54 -6.014 11.500 -25.566 1.00 0.00 C ATOM 788 C VAL A 54 -6.560 11.046 -24.217 1.00 0.00 C ATOM 789 O VAL A 54 -6.068 11.456 -23.166 1.00 0.00 O ATOM 790 CB VAL A 54 -6.903 12.634 -26.112 1.00 0.00 C ATOM 791 CG1 VAL A 54 -7.065 13.732 -25.073 1.00 0.00 C ATOM 792 CG2 VAL A 54 -6.322 13.191 -27.403 1.00 0.00 C ATOM 0 H VAL A 54 -6.504 10.504 -27.344 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.999 11.875 -25.436 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.890 12.226 -26.331 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.696 14.524 -25.476 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.529 13.319 -24.177 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.087 14.141 -24.820 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.962 13.991 -27.775 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.323 13.584 -27.213 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.263 12.397 -28.148 1.00 0.00 H new ATOM 802 N HIS A 55 -7.581 10.195 -24.254 1.00 0.00 N ATOM 803 CA HIS A 55 -8.194 9.683 -23.034 1.00 0.00 C ATOM 804 C HIS A 55 -7.136 9.120 -22.089 1.00 0.00 C ATOM 805 O HIS A 55 -7.254 9.239 -20.869 1.00 0.00 O ATOM 806 CB HIS A 55 -9.222 8.603 -23.369 1.00 0.00 C ATOM 807 CG HIS A 55 -9.463 7.637 -22.250 1.00 0.00 C ATOM 808 ND1 HIS A 55 -10.363 7.872 -21.233 1.00 0.00 N ATOM 809 CD2 HIS A 55 -8.915 6.426 -21.993 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.358 6.849 -20.397 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.488 5.957 -20.836 1.00 0.00 N ATOM 0 H HIS A 55 -8.001 9.846 -25.116 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.698 10.511 -22.535 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.165 9.081 -23.635 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.885 8.052 -24.247 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.943 8.706 -21.140 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.167 5.922 -22.587 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.962 6.758 -19.506 1.00 0.00 H new ATOM 819 N ILE A 56 -6.106 8.506 -22.662 1.00 0.00 N ATOM 820 CA ILE A 56 -5.028 7.925 -21.870 1.00 0.00 C ATOM 821 C ILE A 56 -4.046 8.997 -21.409 1.00 0.00 C ATOM 822 O ILE A 56 -3.481 8.906 -20.320 1.00 0.00 O ATOM 823 CB ILE A 56 -4.263 6.851 -22.665 1.00 0.00 C ATOM 824 CG1 ILE A 56 -5.199 5.700 -23.040 1.00 0.00 C ATOM 825 CG2 ILE A 56 -3.080 6.337 -21.857 1.00 0.00 C ATOM 826 CD1 ILE A 56 -4.728 4.904 -24.237 1.00 0.00 C ATOM 0 H ILE A 56 -5.995 8.398 -23.670 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.490 7.460 -20.999 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.884 7.300 -23.583 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.299 5.031 -22.185 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.191 6.102 -23.248 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.549 5.578 -22.432 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.405 7.163 -21.635 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.438 5.901 -20.925 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.440 4.105 -24.445 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.655 5.560 -25.104 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.750 4.472 -24.025 1.00 0.00 H new ATOM 838 N GLU A 57 -3.849 10.011 -22.246 1.00 0.00 N ATOM 839 CA GLU A 57 -2.935 11.100 -21.922 1.00 0.00 C ATOM 840 C GLU A 57 -3.567 12.062 -20.920 1.00 0.00 C ATOM 841 O GLU A 57 -2.898 12.946 -20.385 1.00 0.00 O ATOM 842 CB GLU A 57 -2.539 11.858 -23.192 1.00 0.00 C ATOM 843 CG GLU A 57 -1.922 10.972 -24.261 1.00 0.00 C ATOM 844 CD GLU A 57 -1.385 11.765 -25.437 1.00 0.00 C ATOM 845 OE1 GLU A 57 -2.158 12.549 -26.026 1.00 0.00 O ATOM 846 OE2 GLU A 57 -0.192 11.603 -25.767 1.00 0.00 O ATOM 0 H GLU A 57 -4.309 10.101 -23.152 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.042 10.668 -21.471 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.422 12.348 -23.603 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.831 12.644 -22.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.113 10.388 -23.822 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.670 10.263 -24.617 1.00 0.00 H new ATOM 853 N ARG A 58 -4.860 11.881 -20.671 1.00 0.00 N ATOM 854 CA ARG A 58 -5.584 12.733 -19.734 1.00 0.00 C ATOM 855 C ARG A 58 -6.041 11.935 -18.516 1.00 0.00 C ATOM 856 O ARG A 58 -5.968 12.414 -17.384 1.00 0.00 O ATOM 857 CB ARG A 58 -6.791 13.372 -20.422 1.00 0.00 C ATOM 858 CG ARG A 58 -8.029 12.490 -20.422 1.00 0.00 C ATOM 859 CD ARG A 58 -9.088 13.017 -21.378 1.00 0.00 C ATOM 860 NE ARG A 58 -9.525 14.364 -21.022 1.00 0.00 N ATOM 861 CZ ARG A 58 -10.322 15.104 -21.785 1.00 0.00 C ATOM 862 NH1 ARG A 58 -10.766 14.630 -22.941 1.00 0.00 N ATOM 863 NH2 ARG A 58 -10.676 16.321 -21.393 1.00 0.00 N ATOM 0 H ARG A 58 -5.428 11.153 -21.104 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.908 13.519 -19.398 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.026 14.313 -19.925 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.526 13.613 -21.452 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.754 11.474 -20.706 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.440 12.438 -19.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.690 13.021 -22.393 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.946 12.345 -21.375 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.201 14.758 -20.139 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.496 13.695 -23.246 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.378 15.200 -23.525 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.336 16.690 -20.505 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.288 16.888 -21.980 1.00 0.00 H new ATOM 877 N VAL A 59 -6.514 10.716 -18.757 1.00 0.00 N ATOM 878 CA VAL A 59 -6.983 9.852 -17.680 1.00 0.00 C ATOM 879 C VAL A 59 -5.834 9.049 -17.080 1.00 0.00 C ATOM 880 O VAL A 59 -5.483 9.225 -15.913 1.00 0.00 O ATOM 881 CB VAL A 59 -8.071 8.880 -18.174 1.00 0.00 C ATOM 882 CG1 VAL A 59 -8.536 7.979 -17.041 1.00 0.00 C ATOM 883 CG2 VAL A 59 -9.240 9.649 -18.770 1.00 0.00 C ATOM 0 H VAL A 59 -6.582 10.305 -19.688 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.407 10.502 -16.914 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.645 8.250 -18.955 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.305 7.299 -17.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.691 7.402 -16.665 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.946 8.589 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.000 8.947 -19.114 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.668 10.305 -18.012 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.891 10.247 -19.612 1.00 0.00 H new ATOM 893 N HIS A 60 -5.251 8.168 -17.886 1.00 0.00 N ATOM 894 CA HIS A 60 -4.140 7.338 -17.435 1.00 0.00 C ATOM 895 C HIS A 60 -2.805 8.031 -17.690 1.00 0.00 C ATOM 896 O HIS A 60 -1.809 7.384 -18.016 1.00 0.00 O ATOM 897 CB HIS A 60 -4.167 5.983 -18.142 1.00 0.00 C ATOM 898 CG HIS A 60 -5.515 5.329 -18.132 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.995 4.613 -17.056 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.486 5.287 -19.074 1.00 0.00 C ATOM 901 CE1 HIS A 60 -7.203 4.158 -17.337 1.00 0.00 C ATOM 902 NE2 HIS A 60 -7.524 4.553 -18.556 1.00 0.00 N ATOM 0 H HIS A 60 -5.529 8.010 -18.855 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.249 7.181 -16.362 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.844 6.115 -19.175 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.446 5.319 -17.665 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.496 4.459 -16.180 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.451 5.746 -20.051 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.823 3.564 -16.682 1.00 0.00 H new ATOM 910 N LYS A 61 -2.791 9.351 -17.539 1.00 0.00 N ATOM 911 CA LYS A 61 -1.579 10.133 -17.753 1.00 0.00 C ATOM 912 C LYS A 61 -0.600 9.946 -16.598 1.00 0.00 C ATOM 913 O LYS A 61 -0.999 9.894 -15.434 1.00 0.00 O ATOM 914 CB LYS A 61 -1.925 11.616 -17.906 1.00 0.00 C ATOM 915 CG LYS A 61 -0.785 12.453 -18.460 1.00 0.00 C ATOM 916 CD LYS A 61 0.077 13.027 -17.348 1.00 0.00 C ATOM 917 CE LYS A 61 -0.538 14.288 -16.760 1.00 0.00 C ATOM 918 NZ LYS A 61 0.500 15.225 -16.248 1.00 0.00 N ATOM 0 H LYS A 61 -3.606 9.902 -17.269 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.106 9.780 -18.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.789 11.713 -18.564 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.218 12.014 -16.935 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.170 11.841 -19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.189 13.265 -19.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.203 12.282 -16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.070 13.252 -17.736 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.136 14.789 -17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.215 14.018 -15.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.040 16.071 -15.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.055 14.756 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.131 15.503 -17.027 1.00 0.00 H new ATOM 995 N GLN A 65 5.621 3.641 -16.094 1.00 0.00 N ATOM 996 CA GLN A 65 6.204 3.255 -17.374 1.00 0.00 C ATOM 997 C GLN A 65 7.448 2.397 -17.169 1.00 0.00 C ATOM 998 O GLN A 65 8.312 2.722 -16.354 1.00 0.00 O ATOM 999 CB GLN A 65 6.557 4.498 -18.193 1.00 0.00 C ATOM 1000 CG GLN A 65 5.352 5.163 -18.838 1.00 0.00 C ATOM 1001 CD GLN A 65 4.828 4.390 -20.032 1.00 0.00 C ATOM 1002 OE1 GLN A 65 3.682 3.938 -20.040 1.00 0.00 O ATOM 1003 NE2 GLN A 65 5.665 4.234 -21.051 1.00 0.00 N ATOM 0 HA GLN A 65 5.465 2.667 -17.919 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.057 5.219 -17.546 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.268 4.221 -18.971 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.558 5.263 -18.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.623 6.171 -19.153 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.606 4.625 -21.003 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.367 3.723 -21.882 1.00 0.00 H new ATOM 1012 N HIS A 66 7.533 1.298 -17.913 1.00 0.00 N ATOM 1013 CA HIS A 66 8.672 0.393 -17.813 1.00 0.00 C ATOM 1014 C HIS A 66 9.611 0.567 -19.003 1.00 0.00 C ATOM 1015 O HIS A 66 9.237 0.302 -20.146 1.00 0.00 O ATOM 1016 CB HIS A 66 8.192 -1.057 -17.734 1.00 0.00 C ATOM 1017 CG HIS A 66 7.401 -1.492 -18.929 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.101 -1.093 -19.157 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.734 -2.294 -19.967 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.667 -1.633 -20.282 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.640 -2.366 -20.794 1.00 0.00 N ATOM 0 H HIS A 66 6.827 1.013 -18.591 1.00 0.00 H new ATOM 0 HA HIS A 66 9.220 0.637 -16.903 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.056 -1.712 -17.623 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.581 -1.181 -16.840 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.684 -2.786 -20.117 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.685 -1.498 -20.710 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.587 -2.899 -21.662 1.00 0.00 H new ATOM 1029 N CYS A 67 10.831 1.015 -18.727 1.00 0.00 N ATOM 1030 CA CYS A 67 11.823 1.226 -19.774 1.00 0.00 C ATOM 1031 C CYS A 67 12.034 -0.047 -20.589 1.00 0.00 C ATOM 1032 O CYS A 67 12.423 -1.084 -20.050 1.00 0.00 O ATOM 1033 CB CYS A 67 13.151 1.679 -19.164 1.00 0.00 C ATOM 1034 SG CYS A 67 14.218 2.608 -20.311 1.00 0.00 S ATOM 0 H CYS A 67 11.156 1.239 -17.787 1.00 0.00 H new ATOM 0 HA CYS A 67 11.451 2.005 -20.439 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.945 2.300 -18.293 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.693 0.803 -18.809 1.00 0.00 H new ATOM 0 HG CYS A 67 13.596 3.677 -20.713 1.00 0.00 H new ATOM 1039 N ARG A 68 11.775 0.039 -21.889 1.00 0.00 N ATOM 1040 CA ARG A 68 11.935 -1.106 -22.778 1.00 0.00 C ATOM 1041 C ARG A 68 13.410 -1.367 -23.067 1.00 0.00 C ATOM 1042 O ARG A 68 13.751 -2.218 -23.889 1.00 0.00 O ATOM 1043 CB ARG A 68 11.181 -0.870 -24.088 1.00 0.00 C ATOM 1044 CG ARG A 68 11.837 0.161 -24.991 1.00 0.00 C ATOM 1045 CD ARG A 68 12.855 -0.481 -25.921 1.00 0.00 C ATOM 1046 NE ARG A 68 13.085 0.323 -27.119 1.00 0.00 N ATOM 1047 CZ ARG A 68 14.036 0.060 -28.009 1.00 0.00 C ATOM 1048 NH1 ARG A 68 14.840 -0.980 -27.837 1.00 0.00 N ATOM 1049 NH2 ARG A 68 14.182 0.837 -29.074 1.00 0.00 N ATOM 0 H ARG A 68 11.453 0.890 -22.351 1.00 0.00 H new ATOM 0 HA ARG A 68 11.519 -1.982 -22.280 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.101 -1.814 -24.627 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.165 -0.547 -23.860 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.073 0.669 -25.580 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.327 0.921 -24.382 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.797 -0.617 -25.389 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.507 -1.472 -26.211 1.00 0.00 H new ATOM 0 HE ARG A 68 12.483 1.130 -27.281 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.729 -1.581 -27.020 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.569 -1.180 -28.522 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.564 1.637 -29.210 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.912 0.635 -29.757 1.00 0.00 H new ATOM 1063 N PHE A 69 14.281 -0.629 -22.387 1.00 0.00 N ATOM 1064 CA PHE A 69 15.720 -0.780 -22.571 1.00 0.00 C ATOM 1065 C PHE A 69 16.348 -1.502 -21.383 1.00 0.00 C ATOM 1066 O PHE A 69 17.066 -2.488 -21.550 1.00 0.00 O ATOM 1067 CB PHE A 69 16.378 0.589 -22.756 1.00 0.00 C ATOM 1068 CG PHE A 69 15.873 1.340 -23.956 1.00 0.00 C ATOM 1069 CD1 PHE A 69 14.646 1.982 -23.922 1.00 0.00 C ATOM 1070 CD2 PHE A 69 16.626 1.402 -25.117 1.00 0.00 C ATOM 1071 CE1 PHE A 69 14.179 2.673 -25.024 1.00 0.00 C ATOM 1072 CE2 PHE A 69 16.165 2.093 -26.222 1.00 0.00 C ATOM 1073 CZ PHE A 69 14.939 2.728 -26.176 1.00 0.00 C ATOM 0 H PHE A 69 14.016 0.080 -21.703 1.00 0.00 H new ATOM 0 HA PHE A 69 15.885 -1.379 -23.466 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.206 1.190 -21.863 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.456 0.456 -22.848 1.00 0.00 H new ATOM 0 HD1 PHE A 69 14.047 1.942 -23.024 1.00 0.00 H new ATOM 0 HD2 PHE A 69 17.584 0.905 -25.159 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.221 3.170 -24.984 1.00 0.00 H new ATOM 0 HE2 PHE A 69 16.763 2.136 -27.120 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.576 3.266 -27.039 1.00 0.00 H new ATOM 1083 N CYS A 70 16.072 -1.004 -20.182 1.00 0.00 N ATOM 1084 CA CYS A 70 16.610 -1.600 -18.965 1.00 0.00 C ATOM 1085 C CYS A 70 15.485 -2.087 -18.055 1.00 0.00 C ATOM 1086 O CYS A 70 15.655 -2.190 -16.840 1.00 0.00 O ATOM 1087 CB CYS A 70 17.482 -0.588 -18.220 1.00 0.00 C ATOM 1088 SG CYS A 70 16.608 0.939 -17.745 1.00 0.00 S ATOM 0 H CYS A 70 15.479 -0.189 -20.026 1.00 0.00 H new ATOM 0 HA CYS A 70 17.221 -2.457 -19.248 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.881 -1.060 -17.322 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.334 -0.326 -18.848 1.00 0.00 H new ATOM 0 HG CYS A 70 15.864 1.338 -18.733 1.00 0.00 H new ATOM 1093 N LYS A 71 14.336 -2.386 -18.652 1.00 0.00 N ATOM 1094 CA LYS A 71 13.184 -2.863 -17.898 1.00 0.00 C ATOM 1095 C LYS A 71 13.099 -2.175 -16.539 1.00 0.00 C ATOM 1096 O LYS A 71 12.917 -2.828 -15.512 1.00 0.00 O ATOM 1097 CB LYS A 71 13.265 -4.380 -17.710 1.00 0.00 C ATOM 1098 CG LYS A 71 13.202 -5.159 -19.012 1.00 0.00 C ATOM 1099 CD LYS A 71 11.767 -5.449 -19.419 1.00 0.00 C ATOM 1100 CE LYS A 71 11.212 -4.357 -20.321 1.00 0.00 C ATOM 1101 NZ LYS A 71 9.959 -4.785 -21.003 1.00 0.00 N ATOM 0 H LYS A 71 14.178 -2.306 -19.657 1.00 0.00 H new ATOM 0 HA LYS A 71 12.285 -2.620 -18.464 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.194 -4.625 -17.195 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.448 -4.702 -17.064 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.697 -4.592 -19.800 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.747 -6.097 -18.903 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.721 -6.408 -19.936 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.146 -5.537 -18.528 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.016 -3.462 -19.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.959 -4.089 -21.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.612 -4.014 -21.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.151 -5.624 -21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.238 -5.017 -20.291 1.00 0.00 H new ATOM 1115 N LYS A 72 13.232 -0.853 -16.541 1.00 0.00 N ATOM 1116 CA LYS A 72 13.168 -0.075 -15.310 1.00 0.00 C ATOM 1117 C LYS A 72 11.880 0.740 -15.248 1.00 0.00 C ATOM 1118 O LYS A 72 11.615 1.568 -16.120 1.00 0.00 O ATOM 1119 CB LYS A 72 14.379 0.854 -15.206 1.00 0.00 C ATOM 1120 CG LYS A 72 14.703 1.273 -13.783 1.00 0.00 C ATOM 1121 CD LYS A 72 15.912 2.192 -13.734 1.00 0.00 C ATOM 1122 CE LYS A 72 16.266 2.573 -12.304 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.641 3.136 -12.204 1.00 0.00 N ATOM 0 H LYS A 72 13.385 -0.298 -17.383 1.00 0.00 H new ATOM 0 HA LYS A 72 13.178 -0.769 -14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.247 0.355 -15.636 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.195 1.746 -15.805 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.842 1.779 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.893 0.388 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.764 1.699 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.709 3.093 -14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.547 3.304 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.186 1.695 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.844 3.383 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.330 2.430 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.711 3.989 -12.795 1.00 0.00 H new ATOM 1137 N LYS A 73 11.084 0.503 -14.212 1.00 0.00 N ATOM 1138 CA LYS A 73 9.825 1.217 -14.033 1.00 0.00 C ATOM 1139 C LYS A 73 10.073 2.646 -13.559 1.00 0.00 C ATOM 1140 O LYS A 73 11.065 2.923 -12.885 1.00 0.00 O ATOM 1141 CB LYS A 73 8.935 0.482 -13.029 1.00 0.00 C ATOM 1142 CG LYS A 73 8.074 -0.600 -13.657 1.00 0.00 C ATOM 1143 CD LYS A 73 8.919 -1.741 -14.198 1.00 0.00 C ATOM 1144 CE LYS A 73 9.500 -2.586 -13.074 1.00 0.00 C ATOM 1145 NZ LYS A 73 8.454 -3.401 -12.395 1.00 0.00 N ATOM 0 H LYS A 73 11.288 -0.179 -13.482 1.00 0.00 H new ATOM 0 HA LYS A 73 9.318 1.255 -14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.563 0.033 -12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.289 1.205 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.373 -0.985 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.480 -0.171 -14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.311 -2.369 -14.849 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.728 -1.339 -14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.270 -3.245 -13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.985 -1.937 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.908 -4.117 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.859 -2.783 -11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.863 -3.873 -13.109 1.00 0.00 H new ATOM 1159 N TYR A 74 9.165 3.548 -13.915 1.00 0.00 N ATOM 1160 CA TYR A 74 9.286 4.948 -13.526 1.00 0.00 C ATOM 1161 C TYR A 74 7.924 5.532 -13.163 1.00 0.00 C ATOM 1162 O TYR A 74 7.029 5.618 -14.004 1.00 0.00 O ATOM 1163 CB TYR A 74 9.916 5.761 -14.658 1.00 0.00 C ATOM 1164 CG TYR A 74 11.428 5.735 -14.652 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.125 4.607 -15.067 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.160 6.839 -14.231 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.506 4.578 -15.063 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.541 6.820 -14.225 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.209 5.687 -14.642 1.00 0.00 C ATOM 1170 OH TYR A 74 15.585 5.664 -14.636 1.00 0.00 O ATOM 0 H TYR A 74 8.338 3.335 -14.472 1.00 0.00 H new ATOM 0 HA TYR A 74 9.930 5.000 -12.648 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.558 5.377 -15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.578 6.795 -14.583 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.577 3.737 -15.399 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.640 7.727 -13.903 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.032 3.692 -15.388 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.095 7.687 -13.896 1.00 0.00 H new ATOM 0 HH TYR A 74 15.925 6.524 -14.313 1.00 0.00 H new ATOM 1180 N SER A 75 7.775 5.932 -11.904 1.00 0.00 N ATOM 1181 CA SER A 75 6.522 6.506 -11.427 1.00 0.00 C ATOM 1182 C SER A 75 6.004 7.563 -12.398 1.00 0.00 C ATOM 1183 O SER A 75 4.833 7.553 -12.776 1.00 0.00 O ATOM 1184 CB SER A 75 6.714 7.122 -10.040 1.00 0.00 C ATOM 1185 OG SER A 75 7.271 6.182 -9.137 1.00 0.00 O ATOM 0 H SER A 75 8.506 5.869 -11.196 1.00 0.00 H new ATOM 0 HA SER A 75 5.786 5.705 -11.362 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.366 7.992 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.755 7.473 -9.659 1.00 0.00 H new ATOM 0 HG SER A 75 7.385 6.601 -8.258 1.00 0.00 H new ATOM 1191 N ASP A 76 6.886 8.473 -12.797 1.00 0.00 N ATOM 1192 CA ASP A 76 6.519 9.537 -13.725 1.00 0.00 C ATOM 1193 C ASP A 76 7.252 9.376 -15.053 1.00 0.00 C ATOM 1194 O ASP A 76 8.467 9.556 -15.130 1.00 0.00 O ATOM 1195 CB ASP A 76 6.835 10.904 -13.116 1.00 0.00 C ATOM 1196 CG ASP A 76 5.729 11.403 -12.208 1.00 0.00 C ATOM 1197 OD1 ASP A 76 4.550 11.096 -12.484 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.042 12.099 -11.219 1.00 0.00 O ATOM 0 H ASP A 76 7.859 8.495 -12.493 1.00 0.00 H new ATOM 0 HA ASP A 76 5.447 9.470 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.764 10.840 -12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.998 11.626 -13.916 1.00 0.00 H new ATOM 1203 N VAL A 77 6.504 9.034 -16.098 1.00 0.00 N ATOM 1204 CA VAL A 77 7.082 8.849 -17.423 1.00 0.00 C ATOM 1205 C VAL A 77 8.056 9.972 -17.760 1.00 0.00 C ATOM 1206 O VAL A 77 9.140 9.731 -18.292 1.00 0.00 O ATOM 1207 CB VAL A 77 5.990 8.788 -18.508 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.178 10.074 -18.521 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.609 8.526 -19.873 1.00 0.00 C ATOM 0 H VAL A 77 5.497 8.880 -16.052 1.00 0.00 H new ATOM 0 HA VAL A 77 7.619 7.901 -17.404 1.00 0.00 H new ATOM 0 HB VAL A 77 5.317 7.963 -18.275 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.412 10.013 -19.294 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.704 10.215 -17.550 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.836 10.918 -18.729 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.823 8.486 -20.627 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.305 9.328 -20.117 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.142 7.576 -19.854 1.00 0.00 H new ATOM 1219 N LYS A 78 7.663 11.202 -17.447 1.00 0.00 N ATOM 1220 CA LYS A 78 8.501 12.365 -17.715 1.00 0.00 C ATOM 1221 C LYS A 78 9.971 12.045 -17.463 1.00 0.00 C ATOM 1222 O LYS A 78 10.830 12.332 -18.297 1.00 0.00 O ATOM 1223 CB LYS A 78 8.068 13.544 -16.840 1.00 0.00 C ATOM 1224 CG LYS A 78 6.768 14.188 -17.289 1.00 0.00 C ATOM 1225 CD LYS A 78 6.985 15.116 -18.472 1.00 0.00 C ATOM 1226 CE LYS A 78 7.658 16.413 -18.049 1.00 0.00 C ATOM 1227 NZ LYS A 78 7.259 17.554 -18.918 1.00 0.00 N ATOM 0 H LYS A 78 6.769 11.419 -17.007 1.00 0.00 H new ATOM 0 HA LYS A 78 8.380 12.635 -18.764 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.958 13.201 -15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.857 14.297 -16.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.052 13.413 -17.560 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.333 14.748 -16.461 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.598 14.615 -19.221 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.027 15.339 -18.941 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.398 16.636 -17.014 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.740 16.289 -18.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.739 18.419 -18.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.530 17.352 -19.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.229 17.689 -18.863 1.00 0.00 H new ATOM 1241 N ASN A 79 10.254 11.448 -16.310 1.00 0.00 N ATOM 1242 CA ASN A 79 11.620 11.088 -15.950 1.00 0.00 C ATOM 1243 C ASN A 79 12.171 10.026 -16.897 1.00 0.00 C ATOM 1244 O ASN A 79 13.266 10.171 -17.442 1.00 0.00 O ATOM 1245 CB ASN A 79 11.673 10.579 -14.508 1.00 0.00 C ATOM 1246 CG ASN A 79 11.156 11.602 -13.515 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.872 12.526 -13.130 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.907 11.439 -13.095 1.00 0.00 N ATOM 0 H ASN A 79 9.555 11.203 -15.609 1.00 0.00 H new ATOM 0 HA ASN A 79 12.239 11.981 -16.036 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.083 9.666 -14.426 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.701 10.318 -14.255 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.504 12.095 -12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.350 10.658 -13.442 1.00 0.00 H new ATOM 1255 N LEU A 80 11.404 8.958 -17.088 1.00 0.00 N ATOM 1256 CA LEU A 80 11.814 7.870 -17.970 1.00 0.00 C ATOM 1257 C LEU A 80 12.410 8.413 -19.264 1.00 0.00 C ATOM 1258 O LEU A 80 13.399 7.885 -19.773 1.00 0.00 O ATOM 1259 CB LEU A 80 10.621 6.966 -18.285 1.00 0.00 C ATOM 1260 CG LEU A 80 10.904 5.777 -19.204 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.899 4.827 -18.557 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.613 5.048 -19.546 1.00 0.00 C ATOM 0 H LEU A 80 10.496 8.822 -16.645 1.00 0.00 H new ATOM 0 HA LEU A 80 12.579 7.287 -17.456 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.221 6.586 -17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.840 7.574 -18.741 1.00 0.00 H new ATOM 0 HG LEU A 80 11.341 6.154 -20.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.088 3.987 -19.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.833 5.355 -18.364 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.490 4.457 -17.617 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.834 4.205 -20.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.147 4.684 -18.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.932 5.732 -20.052 1.00 0.00 H new ATOM 1274 N ILE A 81 11.804 9.472 -19.790 1.00 0.00 N ATOM 1275 CA ILE A 81 12.277 10.089 -21.023 1.00 0.00 C ATOM 1276 C ILE A 81 13.711 10.587 -20.873 1.00 0.00 C ATOM 1277 O ILE A 81 14.600 10.191 -21.627 1.00 0.00 O ATOM 1278 CB ILE A 81 11.378 11.266 -21.445 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.916 10.819 -21.516 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.832 11.825 -22.785 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.649 9.795 -22.597 1.00 0.00 C ATOM 0 H ILE A 81 10.984 9.921 -19.381 1.00 0.00 H new ATOM 0 HA ILE A 81 12.240 9.320 -21.795 1.00 0.00 H new ATOM 0 HB ILE A 81 11.462 12.055 -20.697 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.625 10.402 -20.552 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.286 11.691 -21.689 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.187 12.656 -23.070 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.861 12.176 -22.703 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.774 11.044 -23.543 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.593 9.524 -22.589 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.909 10.215 -23.569 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.253 8.906 -22.413 1.00 0.00 H new ATOM 1293 N LYS A 82 13.929 11.458 -19.894 1.00 0.00 N ATOM 1294 CA LYS A 82 15.255 12.009 -19.641 1.00 0.00 C ATOM 1295 C LYS A 82 16.269 10.896 -19.395 1.00 0.00 C ATOM 1296 O LYS A 82 17.408 10.968 -19.858 1.00 0.00 O ATOM 1297 CB LYS A 82 15.216 12.953 -18.437 1.00 0.00 C ATOM 1298 CG LYS A 82 16.427 13.865 -18.340 1.00 0.00 C ATOM 1299 CD LYS A 82 16.150 15.068 -17.454 1.00 0.00 C ATOM 1300 CE LYS A 82 15.395 16.152 -18.208 1.00 0.00 C ATOM 1301 NZ LYS A 82 15.142 17.346 -17.355 1.00 0.00 N ATOM 0 H LYS A 82 13.204 11.798 -19.262 1.00 0.00 H new ATOM 0 HA LYS A 82 15.563 12.569 -20.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.315 13.564 -18.494 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.143 12.362 -17.524 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.274 13.306 -17.942 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.709 14.204 -19.337 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.570 14.756 -16.585 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.091 15.471 -17.081 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.967 16.448 -19.087 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.446 15.753 -18.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.626 18.062 -17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.575 17.068 -16.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.049 17.743 -17.035 1.00 0.00 H new ATOM 1315 N HIS A 83 15.848 9.868 -18.666 1.00 0.00 N ATOM 1316 CA HIS A 83 16.720 8.739 -18.361 1.00 0.00 C ATOM 1317 C HIS A 83 17.318 8.155 -19.637 1.00 0.00 C ATOM 1318 O HIS A 83 18.539 8.082 -19.785 1.00 0.00 O ATOM 1319 CB HIS A 83 15.945 7.658 -17.606 1.00 0.00 C ATOM 1320 CG HIS A 83 16.488 6.278 -17.812 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.657 5.835 -17.230 1.00 0.00 N ATOM 1322 CD2 HIS A 83 16.014 5.239 -18.538 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.879 4.584 -17.591 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.897 4.198 -18.385 1.00 0.00 N ATOM 0 H HIS A 83 14.909 9.793 -18.275 1.00 0.00 H new ATOM 0 HA HIS A 83 17.533 9.099 -17.731 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.958 7.890 -16.541 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.903 7.681 -17.924 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.109 5.230 -19.128 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.721 3.979 -17.288 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.809 3.277 -18.815 1.00 0.00 H new ATOM 1332 N ILE A 84 16.452 7.739 -20.555 1.00 0.00 N ATOM 1333 CA ILE A 84 16.896 7.162 -21.818 1.00 0.00 C ATOM 1334 C ILE A 84 17.931 8.054 -22.496 1.00 0.00 C ATOM 1335 O ILE A 84 18.934 7.569 -23.020 1.00 0.00 O ATOM 1336 CB ILE A 84 15.715 6.941 -22.781 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.725 5.936 -22.188 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.218 6.460 -24.134 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.394 5.903 -22.906 1.00 0.00 C ATOM 0 H ILE A 84 15.439 7.791 -20.448 1.00 0.00 H new ATOM 0 HA ILE A 84 17.348 6.198 -21.584 1.00 0.00 H new ATOM 0 HB ILE A 84 15.199 7.891 -22.923 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.169 4.941 -22.217 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.557 6.180 -21.139 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.372 6.308 -24.804 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.888 7.207 -24.560 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.755 5.520 -24.009 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.743 5.169 -22.432 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.929 6.887 -22.855 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.550 5.629 -23.949 1.00 0.00 H new ATOM 1351 N ARG A 85 17.680 9.359 -22.481 1.00 0.00 N ATOM 1352 CA ARG A 85 18.591 10.318 -23.094 1.00 0.00 C ATOM 1353 C ARG A 85 19.871 10.453 -22.275 1.00 0.00 C ATOM 1354 O ARG A 85 20.874 10.983 -22.754 1.00 0.00 O ATOM 1355 CB ARG A 85 17.913 11.683 -23.228 1.00 0.00 C ATOM 1356 CG ARG A 85 16.557 11.625 -23.912 1.00 0.00 C ATOM 1357 CD ARG A 85 16.247 12.920 -24.647 1.00 0.00 C ATOM 1358 NE ARG A 85 15.538 13.874 -23.799 1.00 0.00 N ATOM 1359 CZ ARG A 85 14.834 14.896 -24.272 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.745 15.095 -25.580 1.00 0.00 N ATOM 1361 NH2 ARG A 85 14.216 15.721 -23.437 1.00 0.00 N ATOM 0 H ARG A 85 16.854 9.776 -22.051 1.00 0.00 H new ATOM 0 HA ARG A 85 18.852 9.950 -24.086 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.792 12.118 -22.236 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.566 12.350 -23.791 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.539 10.793 -24.616 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.782 11.432 -23.170 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.176 13.368 -24.999 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.645 12.701 -25.529 1.00 0.00 H new ATOM 0 HE ARG A 85 15.586 13.749 -22.788 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.218 14.462 -26.225 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.204 15.881 -25.941 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.281 15.571 -22.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.676 16.505 -23.802 1.00 0.00 H new ATOM 1375 N ASP A 86 19.830 9.970 -21.038 1.00 0.00 N ATOM 1376 CA ASP A 86 20.986 10.035 -20.152 1.00 0.00 C ATOM 1377 C ASP A 86 21.791 8.740 -20.212 1.00 0.00 C ATOM 1378 O ASP A 86 22.941 8.732 -20.649 1.00 0.00 O ATOM 1379 CB ASP A 86 20.540 10.307 -18.715 1.00 0.00 C ATOM 1380 CG ASP A 86 19.861 11.654 -18.564 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.436 12.663 -19.025 1.00 0.00 O ATOM 1382 OD2 ASP A 86 18.755 11.699 -17.987 1.00 0.00 O ATOM 0 H ASP A 86 19.008 9.529 -20.626 1.00 0.00 H new ATOM 0 HA ASP A 86 21.623 10.853 -20.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.856 9.521 -18.395 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.406 10.264 -18.055 1.00 0.00 H new ATOM 1387 N ALA A 87 21.177 7.648 -19.770 1.00 0.00 N ATOM 1388 CA ALA A 87 21.836 6.347 -19.774 1.00 0.00 C ATOM 1389 C ALA A 87 21.821 5.729 -21.168 1.00 0.00 C ATOM 1390 O ALA A 87 22.860 5.326 -21.690 1.00 0.00 O ATOM 1391 CB ALA A 87 21.169 5.415 -18.773 1.00 0.00 C ATOM 0 H ALA A 87 20.225 7.638 -19.405 1.00 0.00 H new ATOM 0 HA ALA A 87 22.876 6.492 -19.481 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.671 4.447 -18.786 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.237 5.845 -17.774 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.121 5.284 -19.041 1.00 0.00 H new ATOM 1397 N HIS A 88 20.635 5.655 -21.765 1.00 0.00 N ATOM 1398 CA HIS A 88 20.485 5.085 -23.099 1.00 0.00 C ATOM 1399 C HIS A 88 20.699 6.149 -24.171 1.00 0.00 C ATOM 1400 O HIS A 88 20.021 6.153 -25.199 1.00 0.00 O ATOM 1401 CB HIS A 88 19.100 4.457 -23.255 1.00 0.00 C ATOM 1402 CG HIS A 88 18.759 3.480 -22.173 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.536 2.378 -21.881 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.719 3.444 -21.308 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.987 1.706 -20.885 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.883 2.332 -20.519 1.00 0.00 N ATOM 0 H HIS A 88 19.765 5.983 -21.346 1.00 0.00 H new ATOM 0 HA HIS A 88 21.242 4.311 -23.225 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.351 5.249 -23.267 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.046 3.952 -24.219 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.400 2.122 -22.360 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.910 4.157 -21.249 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.375 0.799 -20.445 1.00 0.00 H new ATOM 1414 N ASP A 89 21.644 7.049 -23.925 1.00 0.00 N ATOM 1415 CA ASP A 89 21.948 8.117 -24.870 1.00 0.00 C ATOM 1416 C ASP A 89 22.627 7.563 -26.118 1.00 0.00 C ATOM 1417 O ASP A 89 23.756 7.074 -26.075 1.00 0.00 O ATOM 1418 CB ASP A 89 22.842 9.169 -24.212 1.00 0.00 C ATOM 1419 CG ASP A 89 24.237 8.647 -23.928 1.00 0.00 C ATOM 1420 OD1 ASP A 89 25.091 8.711 -24.837 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.474 8.174 -22.797 1.00 0.00 O ATOM 0 H ASP A 89 22.213 7.060 -23.079 1.00 0.00 H new ATOM 0 HA ASP A 89 21.009 8.583 -25.167 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.909 10.042 -24.861 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.384 9.499 -23.280 1.00 0.00 H new