USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=26 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 67 CYS SG : rot -154:sc= -0.018 USER MOD Set 1.2: A 70 CYS SG : rot -87:sc= -0.73! USER MOD Set 1.3: A 74 TYR OH : rot -3:sc= -2.69! USER MOD Set 1.4: A 83 HIS : no HE2:sc= -2.27! C(o=-7.2!,f=-13!) USER MOD Set 1.5: A 88 HIS : no HE2:sc= -1.54! C(o=-7.2!,f=-14!) USER MOD Set 2.1: A 39 CYS SG : rot -152:sc= -1.66 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= -0.868 USER MOD Set 2.3: A 55 HIS : no HD1:sc= -1.66 K(o=-8.1,f=-10) USER MOD Set 2.4: A 60 HIS : no HD1:sc= -3.93! C(o=-8.1!,f=-14!) USER MOD Set 3.1: A 46 CYS SG : rot -103:sc= -1.53 USER MOD Set 3.2: A 51 HIS : no HE2:sc= -0.106 K(o=-1.6,f=-2.5) USER MOD Set 4.1: A 12 CYS SG : rot -162:sc= 0.225 USER MOD Set 4.2: A 15 CYS SG : rot 180:sc= -3.83! USER MOD Set 4.3: A 28 HIS : no HD1:sc= -14.8! C(o=-18!,f=-26!) USER MOD Set 4.4: A 31 LYS NZ :NH3+ -156:sc= 0.139 (180deg=0) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -0.0694 K(o=-18,f=-20) USER MOD Set 5.1: A 10 TYR OH : rot -17:sc= -2.49 USER MOD Set 5.2: A 22 LYS NZ :NH3+ 162:sc= 0.133 (180deg=0) USER MOD Set 6.1: A 17 TYR OH : rot 119:sc= -0.801 USER MOD Set 6.2: A 24 ASN : amide:sc= 0.172 K(o=-0.63,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.02 (180deg=-0.209) USER MOD Single : A 14 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -150:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.36) 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 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 40:sc= 0.97 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= -8.32! C(o=-8.3!,f=-2.8!) USER MOD Single : A 66 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-0.5) USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= 0.00014 (180deg=-0.00022) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0747 (180deg=-0.397) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -122:sc=-0.00793 (180deg=-0.513) USER MOD Single : A 79 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 8.470 48.844 -6.832 1.00 0.00 N ATOM 67 CA LYS A 8 7.889 47.506 -6.855 1.00 0.00 C ATOM 68 C LYS A 8 8.560 46.605 -5.823 1.00 0.00 C ATOM 69 O LYS A 8 9.030 45.510 -6.132 1.00 0.00 O ATOM 70 CB LYS A 8 8.026 46.892 -8.250 1.00 0.00 C ATOM 71 CG LYS A 8 6.875 47.232 -9.180 1.00 0.00 C ATOM 72 CD LYS A 8 7.160 46.789 -10.605 1.00 0.00 C ATOM 73 CE LYS A 8 6.355 47.597 -11.612 1.00 0.00 C ATOM 74 NZ LYS A 8 6.032 46.804 -12.829 1.00 0.00 N ATOM 0 HA LYS A 8 6.831 47.591 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.958 47.235 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.098 45.808 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.964 46.751 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.696 48.307 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.224 46.899 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.922 45.731 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.431 47.940 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.918 48.486 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.483 47.390 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.914 46.498 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.473 45.969 -12.561 1.00 0.00 H new ATOM 88 N PRO A 9 8.604 47.073 -4.567 1.00 0.00 N ATOM 89 CA PRO A 9 9.213 46.324 -3.464 1.00 0.00 C ATOM 90 C PRO A 9 8.398 45.093 -3.080 1.00 0.00 C ATOM 91 O PRO A 9 8.955 44.052 -2.731 1.00 0.00 O ATOM 92 CB PRO A 9 9.228 47.335 -2.314 1.00 0.00 C ATOM 93 CG PRO A 9 8.120 48.281 -2.627 1.00 0.00 C ATOM 94 CD PRO A 9 8.063 48.370 -4.127 1.00 0.00 C ATOM 0 HA PRO A 9 10.199 45.942 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.070 46.844 -1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.185 47.853 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.174 47.922 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.306 49.260 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.044 48.521 -4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.658 49.202 -4.503 1.00 0.00 H new ATOM 102 N TYR A 10 7.077 45.220 -3.147 1.00 0.00 N ATOM 103 CA TYR A 10 6.186 44.118 -2.804 1.00 0.00 C ATOM 104 C TYR A 10 6.252 43.016 -3.858 1.00 0.00 C ATOM 105 O TYR A 10 5.913 43.232 -5.022 1.00 0.00 O ATOM 106 CB TYR A 10 4.748 44.621 -2.666 1.00 0.00 C ATOM 107 CG TYR A 10 4.597 45.759 -1.682 1.00 0.00 C ATOM 108 CD1 TYR A 10 4.934 47.059 -2.036 1.00 0.00 C ATOM 109 CD2 TYR A 10 4.117 45.533 -0.398 1.00 0.00 C ATOM 110 CE1 TYR A 10 4.798 48.102 -1.140 1.00 0.00 C ATOM 111 CE2 TYR A 10 3.977 46.570 0.504 1.00 0.00 C ATOM 112 CZ TYR A 10 4.319 47.852 0.129 1.00 0.00 C ATOM 113 OH TYR A 10 4.181 48.887 1.025 1.00 0.00 O ATOM 0 H TYR A 10 6.600 46.074 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 10 6.512 43.704 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.390 44.946 -3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.111 43.794 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.309 47.258 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.849 44.530 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.065 49.107 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.601 46.377 1.498 1.00 0.00 H new ATOM 0 HH TYR A 10 4.704 49.657 0.719 1.00 0.00 H new ATOM 123 N LYS A 11 6.691 41.833 -3.441 1.00 0.00 N ATOM 124 CA LYS A 11 6.801 40.695 -4.345 1.00 0.00 C ATOM 125 C LYS A 11 5.765 39.628 -4.005 1.00 0.00 C ATOM 126 O LYS A 11 5.345 39.500 -2.855 1.00 0.00 O ATOM 127 CB LYS A 11 8.207 40.096 -4.275 1.00 0.00 C ATOM 128 CG LYS A 11 9.177 40.701 -5.276 1.00 0.00 C ATOM 129 CD LYS A 11 9.902 41.902 -4.693 1.00 0.00 C ATOM 130 CE LYS A 11 11.237 42.137 -5.383 1.00 0.00 C ATOM 131 NZ LYS A 11 12.236 41.091 -5.028 1.00 0.00 N ATOM 0 H LYS A 11 6.977 41.638 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 11 6.613 41.049 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.602 40.235 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.144 39.021 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.904 39.948 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.635 41.002 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.278 42.790 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.065 41.747 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.091 42.148 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.623 43.117 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.194 41.445 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.152 40.859 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.061 40.237 -5.595 1.00 0.00 H new ATOM 145 N CYS A 12 5.357 38.864 -5.013 1.00 0.00 N ATOM 146 CA CYS A 12 4.371 37.807 -4.821 1.00 0.00 C ATOM 147 C CYS A 12 5.032 36.535 -4.296 1.00 0.00 C ATOM 148 O CYS A 12 5.928 35.968 -4.920 1.00 0.00 O ATOM 149 CB CYS A 12 3.647 37.512 -6.136 1.00 0.00 C ATOM 150 SG CYS A 12 2.361 36.228 -6.005 1.00 0.00 S ATOM 0 H CYS A 12 5.694 38.957 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 12 3.646 38.150 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.191 38.432 -6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.380 37.202 -6.881 1.00 0.00 H new ATOM 0 HG CYS A 12 2.071 35.782 -7.191 1.00 0.00 H new ATOM 155 N PRO A 13 4.579 36.076 -3.119 1.00 0.00 N ATOM 156 CA PRO A 13 5.111 34.867 -2.484 1.00 0.00 C ATOM 157 C PRO A 13 4.727 33.599 -3.238 1.00 0.00 C ATOM 158 O PRO A 13 5.098 32.494 -2.842 1.00 0.00 O ATOM 159 CB PRO A 13 4.464 34.881 -1.097 1.00 0.00 C ATOM 160 CG PRO A 13 3.210 35.667 -1.272 1.00 0.00 C ATOM 161 CD PRO A 13 3.513 36.702 -2.320 1.00 0.00 C ATOM 0 HA PRO A 13 6.201 34.865 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.252 33.870 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.120 35.342 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.387 35.024 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.910 36.136 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.636 36.928 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.843 37.640 -1.874 1.00 0.00 H new ATOM 169 N GLN A 14 3.982 33.766 -4.326 1.00 0.00 N ATOM 170 CA GLN A 14 3.547 32.633 -5.135 1.00 0.00 C ATOM 171 C GLN A 14 4.244 32.634 -6.492 1.00 0.00 C ATOM 172 O GLN A 14 4.545 31.577 -7.048 1.00 0.00 O ATOM 173 CB GLN A 14 2.030 32.668 -5.327 1.00 0.00 C ATOM 174 CG GLN A 14 1.250 32.559 -4.027 1.00 0.00 C ATOM 175 CD GLN A 14 -0.106 31.907 -4.214 1.00 0.00 C ATOM 176 OE1 GLN A 14 -0.270 31.016 -5.047 1.00 0.00 O ATOM 177 NE2 GLN A 14 -1.088 32.348 -3.436 1.00 0.00 N ATOM 0 H GLN A 14 3.667 34.674 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 14 3.818 31.718 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.757 33.597 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.737 31.851 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.830 31.982 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.115 33.554 -3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.908 33.089 -2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.022 31.946 -3.516 1.00 0.00 H new ATOM 186 N CYS A 15 4.496 33.827 -7.021 1.00 0.00 N ATOM 187 CA CYS A 15 5.157 33.966 -8.313 1.00 0.00 C ATOM 188 C CYS A 15 6.185 35.093 -8.279 1.00 0.00 C ATOM 189 O CYS A 15 6.435 35.688 -7.231 1.00 0.00 O ATOM 190 CB CYS A 15 4.125 34.236 -9.410 1.00 0.00 C ATOM 191 SG CYS A 15 3.635 35.984 -9.557 1.00 0.00 S ATOM 0 H CYS A 15 4.252 34.711 -6.575 1.00 0.00 H new ATOM 0 HA CYS A 15 5.674 33.032 -8.531 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.530 33.902 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.236 33.636 -9.213 1.00 0.00 H new ATOM 0 HG CYS A 15 2.761 36.111 -10.511 1.00 0.00 H new ATOM 196 N SER A 16 6.778 35.380 -9.434 1.00 0.00 N ATOM 197 CA SER A 16 7.782 36.433 -9.536 1.00 0.00 C ATOM 198 C SER A 16 7.129 37.778 -9.840 1.00 0.00 C ATOM 199 O SER A 16 7.688 38.602 -10.565 1.00 0.00 O ATOM 200 CB SER A 16 8.801 36.091 -10.625 1.00 0.00 C ATOM 201 OG SER A 16 9.782 35.190 -10.140 1.00 0.00 O ATOM 0 H SER A 16 6.581 34.899 -10.311 1.00 0.00 H new ATOM 0 HA SER A 16 8.295 36.506 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.289 35.651 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.283 37.003 -10.976 1.00 0.00 H new ATOM 0 HG SER A 16 10.420 34.986 -10.855 1.00 0.00 H new ATOM 207 N TYR A 17 5.944 37.993 -9.281 1.00 0.00 N ATOM 208 CA TYR A 17 5.213 39.237 -9.493 1.00 0.00 C ATOM 209 C TYR A 17 5.642 40.300 -8.486 1.00 0.00 C ATOM 210 O TYR A 17 5.972 39.989 -7.341 1.00 0.00 O ATOM 211 CB TYR A 17 3.707 38.993 -9.383 1.00 0.00 C ATOM 212 CG TYR A 17 2.892 40.264 -9.304 1.00 0.00 C ATOM 213 CD1 TYR A 17 2.586 40.988 -10.449 1.00 0.00 C ATOM 214 CD2 TYR A 17 2.428 40.741 -8.084 1.00 0.00 C ATOM 215 CE1 TYR A 17 1.842 42.150 -10.382 1.00 0.00 C ATOM 216 CE2 TYR A 17 1.683 41.901 -8.007 1.00 0.00 C ATOM 217 CZ TYR A 17 1.392 42.602 -9.159 1.00 0.00 C ATOM 218 OH TYR A 17 0.651 43.759 -9.087 1.00 0.00 O ATOM 0 H TYR A 17 5.469 37.322 -8.677 1.00 0.00 H new ATOM 0 HA TYR A 17 5.444 39.598 -10.495 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.377 38.413 -10.245 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.509 38.389 -8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.936 40.636 -11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.654 40.195 -7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.614 42.701 -11.282 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.330 42.257 -7.051 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.236 43.557 -8.723 1.00 0.00 H new ATOM 228 N ALA A 18 5.634 41.555 -8.921 1.00 0.00 N ATOM 229 CA ALA A 18 6.019 42.665 -8.058 1.00 0.00 C ATOM 230 C ALA A 18 5.089 43.858 -8.250 1.00 0.00 C ATOM 231 O ALA A 18 4.733 44.205 -9.376 1.00 0.00 O ATOM 232 CB ALA A 18 7.461 43.069 -8.329 1.00 0.00 C ATOM 0 H ALA A 18 5.365 41.829 -9.866 1.00 0.00 H new ATOM 0 HA ALA A 18 5.934 42.334 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.735 43.899 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.119 42.222 -8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.563 43.376 -9.370 1.00 0.00 H new ATOM 238 N SER A 19 4.698 44.482 -7.143 1.00 0.00 N ATOM 239 CA SER A 19 3.805 45.634 -7.190 1.00 0.00 C ATOM 240 C SER A 19 4.351 46.779 -6.343 1.00 0.00 C ATOM 241 O SER A 19 4.932 46.558 -5.280 1.00 0.00 O ATOM 242 CB SER A 19 2.409 45.244 -6.701 1.00 0.00 C ATOM 243 OG SER A 19 2.485 44.365 -5.591 1.00 0.00 O ATOM 0 H SER A 19 4.986 44.209 -6.203 1.00 0.00 H new ATOM 0 HA SER A 19 3.739 45.970 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.854 46.140 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.857 44.766 -7.510 1.00 0.00 H new ATOM 0 HG SER A 19 1.704 43.774 -5.588 1.00 0.00 H new ATOM 249 N ALA A 20 4.161 48.004 -6.822 1.00 0.00 N ATOM 250 CA ALA A 20 4.632 49.185 -6.109 1.00 0.00 C ATOM 251 C ALA A 20 3.782 49.455 -4.873 1.00 0.00 C ATOM 252 O ALA A 20 4.245 50.072 -3.913 1.00 0.00 O ATOM 253 CB ALA A 20 4.626 50.395 -7.031 1.00 0.00 C ATOM 0 H ALA A 20 3.684 48.204 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 20 5.654 48.997 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.980 51.270 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.282 50.208 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.612 50.576 -7.388 1.00 0.00 H new ATOM 259 N ILE A 21 2.538 48.991 -4.903 1.00 0.00 N ATOM 260 CA ILE A 21 1.624 49.183 -3.784 1.00 0.00 C ATOM 261 C ILE A 21 1.347 47.865 -3.068 1.00 0.00 C ATOM 262 O ILE A 21 1.410 46.793 -3.670 1.00 0.00 O ATOM 263 CB ILE A 21 0.288 49.793 -4.246 1.00 0.00 C ATOM 264 CG1 ILE A 21 0.537 51.071 -5.050 1.00 0.00 C ATOM 265 CG2 ILE A 21 -0.606 50.079 -3.049 1.00 0.00 C ATOM 266 CD1 ILE A 21 -0.699 51.596 -5.747 1.00 0.00 C ATOM 0 H ILE A 21 2.139 48.479 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 21 2.110 49.874 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.219 49.074 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.923 51.841 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.310 50.878 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.547 50.510 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.806 49.151 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.107 50.782 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.449 52.503 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.074 50.843 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.466 51.821 -5.006 1.00 0.00 H new ATOM 278 N LYS A 22 1.039 47.952 -1.778 1.00 0.00 N ATOM 279 CA LYS A 22 0.749 46.768 -0.979 1.00 0.00 C ATOM 280 C LYS A 22 -0.574 46.137 -1.400 1.00 0.00 C ATOM 281 O LYS A 22 -0.670 44.920 -1.558 1.00 0.00 O ATOM 282 CB LYS A 22 0.703 47.129 0.508 1.00 0.00 C ATOM 283 CG LYS A 22 0.200 48.537 0.776 1.00 0.00 C ATOM 284 CD LYS A 22 1.338 49.544 0.785 1.00 0.00 C ATOM 285 CE LYS A 22 1.866 49.776 2.192 1.00 0.00 C ATOM 286 NZ LYS A 22 2.688 51.015 2.279 1.00 0.00 N ATOM 0 H LYS A 22 0.984 48.831 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 22 1.546 46.044 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.060 46.418 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.702 47.022 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.527 48.816 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.318 48.563 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.146 49.187 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.993 50.489 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.029 49.846 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.466 48.920 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.773 51.306 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.635 50.832 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.231 51.774 1.735 1.00 0.00 H new ATOM 300 N ALA A 23 -1.591 46.973 -1.583 1.00 0.00 N ATOM 301 CA ALA A 23 -2.907 46.497 -1.990 1.00 0.00 C ATOM 302 C ALA A 23 -2.818 45.648 -3.253 1.00 0.00 C ATOM 303 O ALA A 23 -3.285 44.511 -3.283 1.00 0.00 O ATOM 304 CB ALA A 23 -3.849 47.672 -2.206 1.00 0.00 C ATOM 0 H ALA A 23 -1.528 47.983 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.303 45.870 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.828 47.302 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.946 48.236 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.449 48.321 -2.985 1.00 0.00 H new ATOM 310 N ASN A 24 -2.214 46.209 -4.296 1.00 0.00 N ATOM 311 CA ASN A 24 -2.064 45.504 -5.563 1.00 0.00 C ATOM 312 C ASN A 24 -1.666 44.049 -5.333 1.00 0.00 C ATOM 313 O ASN A 24 -2.237 43.135 -5.929 1.00 0.00 O ATOM 314 CB ASN A 24 -1.018 46.198 -6.437 1.00 0.00 C ATOM 315 CG ASN A 24 -1.316 46.058 -7.918 1.00 0.00 C ATOM 316 OD1 ASN A 24 -1.797 45.020 -8.370 1.00 0.00 O ATOM 317 ND2 ASN A 24 -1.030 47.107 -8.680 1.00 0.00 N ATOM 0 H ASN A 24 -1.821 47.150 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.026 45.522 -6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.975 47.255 -6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.035 45.777 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.208 47.072 -9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.632 47.948 -8.262 1.00 0.00 H new ATOM 324 N LEU A 25 -0.683 43.842 -4.463 1.00 0.00 N ATOM 325 CA LEU A 25 -0.208 42.498 -4.152 1.00 0.00 C ATOM 326 C LEU A 25 -1.354 41.612 -3.675 1.00 0.00 C ATOM 327 O LEU A 25 -1.389 40.417 -3.965 1.00 0.00 O ATOM 328 CB LEU A 25 0.885 42.557 -3.083 1.00 0.00 C ATOM 329 CG LEU A 25 1.602 41.241 -2.782 1.00 0.00 C ATOM 330 CD1 LEU A 25 2.221 40.669 -4.048 1.00 0.00 C ATOM 331 CD2 LEU A 25 2.663 41.444 -1.711 1.00 0.00 C ATOM 0 H LEU A 25 -0.200 44.587 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 25 0.206 42.066 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.629 43.290 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.441 42.925 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 25 0.869 40.527 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.727 39.732 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.439 40.485 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.941 41.379 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.163 40.496 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.395 42.174 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.193 41.807 -0.797 1.00 0.00 H new ATOM 343 N ASN A 26 -2.291 42.207 -2.944 1.00 0.00 N ATOM 344 CA ASN A 26 -3.440 41.472 -2.429 1.00 0.00 C ATOM 345 C ASN A 26 -4.349 41.015 -3.567 1.00 0.00 C ATOM 346 O ASN A 26 -4.767 39.859 -3.615 1.00 0.00 O ATOM 347 CB ASN A 26 -4.230 42.341 -1.448 1.00 0.00 C ATOM 348 CG ASN A 26 -3.445 42.651 -0.188 1.00 0.00 C ATOM 349 OD1 ASN A 26 -3.646 42.024 0.852 1.00 0.00 O ATOM 350 ND2 ASN A 26 -2.544 43.622 -0.277 1.00 0.00 N ATOM 0 H ASN A 26 -2.277 43.196 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.070 40.590 -1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.510 43.274 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.156 41.832 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.985 43.875 0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.411 44.115 -1.160 1.00 0.00 H new ATOM 357 N VAL A 27 -4.649 41.932 -4.481 1.00 0.00 N ATOM 358 CA VAL A 27 -5.506 41.624 -5.620 1.00 0.00 C ATOM 359 C VAL A 27 -4.813 40.672 -6.588 1.00 0.00 C ATOM 360 O VAL A 27 -5.456 39.827 -7.212 1.00 0.00 O ATOM 361 CB VAL A 27 -5.914 42.902 -6.377 1.00 0.00 C ATOM 362 CG1 VAL A 27 -4.940 43.184 -7.511 1.00 0.00 C ATOM 363 CG2 VAL A 27 -7.336 42.778 -6.903 1.00 0.00 C ATOM 0 H VAL A 27 -4.311 42.894 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.401 41.145 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.880 43.742 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.244 44.090 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.938 43.318 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.940 42.345 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.608 43.690 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.400 41.928 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.021 42.627 -6.068 1.00 0.00 H new ATOM 373 N HIS A 28 -3.497 40.813 -6.708 1.00 0.00 N ATOM 374 CA HIS A 28 -2.715 39.964 -7.600 1.00 0.00 C ATOM 375 C HIS A 28 -2.698 38.522 -7.101 1.00 0.00 C ATOM 376 O HIS A 28 -2.525 37.586 -7.883 1.00 0.00 O ATOM 377 CB HIS A 28 -1.284 40.492 -7.716 1.00 0.00 C ATOM 378 CG HIS A 28 -0.355 39.553 -8.421 1.00 0.00 C ATOM 379 ND1 HIS A 28 -0.070 39.645 -9.767 1.00 0.00 N ATOM 380 CD2 HIS A 28 0.357 38.498 -7.959 1.00 0.00 C ATOM 381 CE1 HIS A 28 0.776 38.687 -10.102 1.00 0.00 C ATOM 382 NE2 HIS A 28 1.051 37.977 -9.023 1.00 0.00 N ATOM 0 H HIS A 28 -2.950 41.507 -6.199 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.183 39.984 -8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.298 41.443 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.897 40.691 -6.717 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.376 38.134 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.175 38.514 -11.091 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.677 37.173 -8.986 1.00 0.00 H new ATOM 390 N LEU A 29 -2.879 38.351 -5.796 1.00 0.00 N ATOM 391 CA LEU A 29 -2.884 37.022 -5.193 1.00 0.00 C ATOM 392 C LEU A 29 -4.242 36.349 -5.371 1.00 0.00 C ATOM 393 O LEU A 29 -4.337 35.123 -5.413 1.00 0.00 O ATOM 394 CB LEU A 29 -2.538 37.115 -3.706 1.00 0.00 C ATOM 395 CG LEU A 29 -1.089 37.472 -3.375 1.00 0.00 C ATOM 396 CD1 LEU A 29 -0.997 38.102 -1.994 1.00 0.00 C ATOM 397 CD2 LEU A 29 -0.202 36.238 -3.461 1.00 0.00 C ATOM 0 H LEU A 29 -3.024 39.115 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.131 36.417 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.188 37.860 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.771 36.158 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.738 38.199 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.042 38.350 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.600 39.010 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.367 37.399 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.826 36.511 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.552 35.488 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.244 35.830 -4.471 1.00 0.00 H new ATOM 409 N ARG A 30 -5.289 37.160 -5.476 1.00 0.00 N ATOM 410 CA ARG A 30 -6.641 36.643 -5.650 1.00 0.00 C ATOM 411 C ARG A 30 -6.680 35.580 -6.743 1.00 0.00 C ATOM 412 O ARG A 30 -7.290 34.523 -6.576 1.00 0.00 O ATOM 413 CB ARG A 30 -7.604 37.781 -5.996 1.00 0.00 C ATOM 414 CG ARG A 30 -7.895 38.709 -4.828 1.00 0.00 C ATOM 415 CD ARG A 30 -9.117 39.574 -5.095 1.00 0.00 C ATOM 416 NE ARG A 30 -9.827 39.912 -3.864 1.00 0.00 N ATOM 417 CZ ARG A 30 -9.508 40.944 -3.091 1.00 0.00 C ATOM 418 NH1 ARG A 30 -8.495 41.734 -3.420 1.00 0.00 N ATOM 419 NH2 ARG A 30 -10.202 41.187 -1.987 1.00 0.00 N ATOM 0 H ARG A 30 -5.227 38.178 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.952 36.185 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.185 38.364 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.542 37.356 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.055 38.120 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.030 39.346 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.810 40.490 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.792 39.049 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.611 39.323 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.959 41.550 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.252 42.526 -2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.982 40.581 -1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.956 41.980 -1.394 1.00 0.00 H new ATOM 433 N LYS A 31 -6.025 35.866 -7.863 1.00 0.00 N ATOM 434 CA LYS A 31 -5.983 34.935 -8.985 1.00 0.00 C ATOM 435 C LYS A 31 -5.229 33.663 -8.608 1.00 0.00 C ATOM 436 O LYS A 31 -5.571 32.570 -9.059 1.00 0.00 O ATOM 437 CB LYS A 31 -5.321 35.594 -10.197 1.00 0.00 C ATOM 438 CG LYS A 31 -4.008 36.285 -9.872 1.00 0.00 C ATOM 439 CD LYS A 31 -3.373 36.887 -11.114 1.00 0.00 C ATOM 440 CE LYS A 31 -2.565 38.131 -10.778 1.00 0.00 C ATOM 441 NZ LYS A 31 -2.101 38.838 -12.004 1.00 0.00 N ATOM 0 H LYS A 31 -5.515 36.736 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.008 34.666 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.144 34.836 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.009 36.323 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.181 37.069 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.321 35.569 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.726 36.149 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.150 37.140 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.172 38.807 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.703 37.852 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.258 39.404 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.865 38.141 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.856 39.464 -12.351 1.00 0.00 H new ATOM 455 N HIS A 32 -4.202 33.814 -7.779 1.00 0.00 N ATOM 456 CA HIS A 32 -3.400 32.677 -7.340 1.00 0.00 C ATOM 457 C HIS A 32 -4.230 31.725 -6.484 1.00 0.00 C ATOM 458 O HIS A 32 -3.987 30.518 -6.464 1.00 0.00 O ATOM 459 CB HIS A 32 -2.181 33.159 -6.552 1.00 0.00 C ATOM 460 CG HIS A 32 -1.028 33.561 -7.420 1.00 0.00 C ATOM 461 ND1 HIS A 32 -0.385 32.687 -8.270 1.00 0.00 N ATOM 462 CD2 HIS A 32 -0.405 34.753 -7.566 1.00 0.00 C ATOM 463 CE1 HIS A 32 0.585 33.323 -8.901 1.00 0.00 C ATOM 464 NE2 HIS A 32 0.595 34.579 -8.492 1.00 0.00 N ATOM 0 H HIS A 32 -3.905 34.712 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.061 32.140 -8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.471 34.007 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.858 32.366 -5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.648 35.670 -7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.256 32.890 -9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.240 35.302 -8.812 1.00 0.00 H new ATOM 508 N LYS A 36 -3.389 25.023 -9.434 1.00 0.00 N ATOM 509 CA LYS A 36 -3.451 24.176 -10.619 1.00 0.00 C ATOM 510 C LYS A 36 -2.714 22.861 -10.387 1.00 0.00 C ATOM 511 O LYS A 36 -1.488 22.800 -10.482 1.00 0.00 O ATOM 512 CB LYS A 36 -2.849 24.905 -11.823 1.00 0.00 C ATOM 513 CG LYS A 36 -3.795 25.906 -12.463 1.00 0.00 C ATOM 514 CD LYS A 36 -3.534 26.048 -13.953 1.00 0.00 C ATOM 515 CE LYS A 36 -4.679 26.761 -14.654 1.00 0.00 C ATOM 516 NZ LYS A 36 -4.244 27.382 -15.936 1.00 0.00 N ATOM 0 HA LYS A 36 -4.499 23.954 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.944 25.424 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.551 24.170 -12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.825 25.588 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.681 26.876 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.609 26.602 -14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.394 25.061 -14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.484 26.052 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.084 27.530 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.053 27.858 -16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.494 28.077 -15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.881 26.645 -16.573 1.00 0.00 H new ATOM 530 N PHE A 37 -3.469 21.810 -10.084 1.00 0.00 N ATOM 531 CA PHE A 37 -2.887 20.496 -9.839 1.00 0.00 C ATOM 532 C PHE A 37 -2.706 19.729 -11.146 1.00 0.00 C ATOM 533 O PHE A 37 -3.666 19.196 -11.703 1.00 0.00 O ATOM 534 CB PHE A 37 -3.771 19.694 -8.882 1.00 0.00 C ATOM 535 CG PHE A 37 -4.369 20.523 -7.781 1.00 0.00 C ATOM 536 CD1 PHE A 37 -5.485 21.309 -8.017 1.00 0.00 C ATOM 537 CD2 PHE A 37 -3.814 20.517 -6.512 1.00 0.00 C ATOM 538 CE1 PHE A 37 -6.039 22.072 -7.006 1.00 0.00 C ATOM 539 CE2 PHE A 37 -4.363 21.278 -5.497 1.00 0.00 C ATOM 540 CZ PHE A 37 -5.476 22.058 -5.745 1.00 0.00 C ATOM 0 H PHE A 37 -4.485 21.843 -10.002 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.907 20.639 -9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.574 19.224 -9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.180 18.891 -8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.927 21.326 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.942 19.911 -6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.911 22.678 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.922 21.263 -4.511 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.905 22.656 -4.954 1.00 0.00 H new ATOM 550 N ALA A 38 -1.469 19.678 -11.629 1.00 0.00 N ATOM 551 CA ALA A 38 -1.162 18.976 -12.869 1.00 0.00 C ATOM 552 C ALA A 38 -1.024 17.476 -12.630 1.00 0.00 C ATOM 553 O ALA A 38 -0.754 17.037 -11.512 1.00 0.00 O ATOM 554 CB ALA A 38 0.111 19.533 -13.489 1.00 0.00 C ATOM 0 H ALA A 38 -0.663 20.114 -11.181 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.989 19.133 -13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.329 19.000 -14.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.023 20.593 -13.704 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.940 19.406 -12.793 1.00 0.00 H new ATOM 560 N CYS A 39 -1.212 16.694 -13.688 1.00 0.00 N ATOM 561 CA CYS A 39 -1.110 15.243 -13.594 1.00 0.00 C ATOM 562 C CYS A 39 0.351 14.802 -13.549 1.00 0.00 C ATOM 563 O CYS A 39 1.180 15.285 -14.320 1.00 0.00 O ATOM 564 CB CYS A 39 -1.816 14.583 -14.780 1.00 0.00 C ATOM 565 SG CYS A 39 -1.811 12.762 -14.730 1.00 0.00 S ATOM 0 H CYS A 39 -1.436 17.041 -14.621 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.595 14.929 -12.670 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.848 14.932 -14.814 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.337 14.912 -15.703 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.873 12.294 -15.941 1.00 0.00 H new ATOM 570 N ASP A 40 0.657 13.882 -12.641 1.00 0.00 N ATOM 571 CA ASP A 40 2.016 13.374 -12.495 1.00 0.00 C ATOM 572 C ASP A 40 2.291 12.261 -13.501 1.00 0.00 C ATOM 573 O ASP A 40 3.255 11.508 -13.361 1.00 0.00 O ATOM 574 CB ASP A 40 2.242 12.860 -11.073 1.00 0.00 C ATOM 575 CG ASP A 40 3.703 12.891 -10.670 1.00 0.00 C ATOM 576 OD1 ASP A 40 4.438 13.768 -11.171 1.00 0.00 O ATOM 577 OD2 ASP A 40 4.112 12.039 -9.854 1.00 0.00 O ATOM 0 H ASP A 40 -0.018 13.473 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 40 2.707 14.195 -12.690 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.663 13.465 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.869 11.839 -10.996 1.00 0.00 H new ATOM 582 N TYR A 41 1.438 12.163 -14.515 1.00 0.00 N ATOM 583 CA TYR A 41 1.588 11.139 -15.543 1.00 0.00 C ATOM 584 C TYR A 41 1.660 11.768 -16.931 1.00 0.00 C ATOM 585 O TYR A 41 2.389 11.294 -17.803 1.00 0.00 O ATOM 586 CB TYR A 41 0.423 10.150 -15.479 1.00 0.00 C ATOM 587 CG TYR A 41 0.307 9.436 -14.151 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.023 10.130 -12.994 1.00 0.00 C ATOM 589 CD2 TYR A 41 0.525 8.067 -14.055 1.00 0.00 C ATOM 590 CE1 TYR A 41 -0.129 9.482 -11.778 1.00 0.00 C ATOM 591 CE2 TYR A 41 0.419 7.410 -12.844 1.00 0.00 C ATOM 592 CZ TYR A 41 0.093 8.122 -11.709 1.00 0.00 C ATOM 593 OH TYR A 41 -0.014 7.473 -10.500 1.00 0.00 O ATOM 0 H TYR A 41 0.636 12.779 -14.647 1.00 0.00 H new ATOM 0 HA TYR A 41 2.520 10.606 -15.357 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.507 10.683 -15.678 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.542 9.410 -16.271 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.200 11.194 -13.046 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.782 7.507 -14.942 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.384 10.037 -10.887 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.590 6.345 -12.787 1.00 0.00 H new ATOM 0 HH TYR A 41 0.172 6.519 -10.623 1.00 0.00 H new ATOM 603 N CYS A 42 0.899 12.839 -17.128 1.00 0.00 N ATOM 604 CA CYS A 42 0.876 13.535 -18.409 1.00 0.00 C ATOM 605 C CYS A 42 0.818 15.047 -18.206 1.00 0.00 C ATOM 606 O CYS A 42 0.882 15.535 -17.078 1.00 0.00 O ATOM 607 CB CYS A 42 -0.323 13.075 -19.241 1.00 0.00 C ATOM 608 SG CYS A 42 -1.938 13.527 -18.531 1.00 0.00 S ATOM 0 H CYS A 42 0.290 13.244 -16.417 1.00 0.00 H new ATOM 0 HA CYS A 42 1.795 13.293 -18.943 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.244 13.504 -20.240 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.279 11.992 -19.355 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.889 13.096 -19.306 1.00 0.00 H new ATOM 613 N SER A 43 0.695 15.782 -19.307 1.00 0.00 N ATOM 614 CA SER A 43 0.632 17.238 -19.251 1.00 0.00 C ATOM 615 C SER A 43 -0.795 17.710 -18.987 1.00 0.00 C ATOM 616 O SER A 43 -1.230 18.732 -19.515 1.00 0.00 O ATOM 617 CB SER A 43 1.148 17.843 -20.558 1.00 0.00 C ATOM 618 OG SER A 43 2.447 17.366 -20.863 1.00 0.00 O ATOM 0 H SER A 43 0.637 15.393 -20.248 1.00 0.00 H new ATOM 0 HA SER A 43 1.265 17.573 -18.429 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.466 17.595 -21.371 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.166 18.930 -20.477 1.00 0.00 H new ATOM 0 HG SER A 43 2.753 17.766 -21.703 1.00 0.00 H new ATOM 624 N PHE A 44 -1.518 16.956 -18.164 1.00 0.00 N ATOM 625 CA PHE A 44 -2.896 17.295 -17.830 1.00 0.00 C ATOM 626 C PHE A 44 -2.949 18.218 -16.615 1.00 0.00 C ATOM 627 O PHE A 44 -2.026 18.246 -15.801 1.00 0.00 O ATOM 628 CB PHE A 44 -3.704 16.025 -17.556 1.00 0.00 C ATOM 629 CG PHE A 44 -5.047 16.291 -16.938 1.00 0.00 C ATOM 630 CD1 PHE A 44 -5.179 16.425 -15.566 1.00 0.00 C ATOM 631 CD2 PHE A 44 -6.178 16.406 -17.731 1.00 0.00 C ATOM 632 CE1 PHE A 44 -6.414 16.670 -14.994 1.00 0.00 C ATOM 633 CE2 PHE A 44 -7.415 16.651 -17.165 1.00 0.00 C ATOM 634 CZ PHE A 44 -7.533 16.782 -15.795 1.00 0.00 C ATOM 0 H PHE A 44 -1.172 16.107 -17.717 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.332 17.818 -18.681 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.844 15.484 -18.492 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.131 15.375 -16.895 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.307 16.337 -14.935 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.092 16.303 -18.803 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.503 16.774 -13.923 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.289 16.740 -17.794 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.499 16.972 -15.351 1.00 0.00 H new ATOM 644 N THR A 45 -4.038 18.972 -16.500 1.00 0.00 N ATOM 645 CA THR A 45 -4.213 19.897 -15.387 1.00 0.00 C ATOM 646 C THR A 45 -5.689 20.091 -15.060 1.00 0.00 C ATOM 647 O THR A 45 -6.553 19.926 -15.922 1.00 0.00 O ATOM 648 CB THR A 45 -3.582 21.269 -15.693 1.00 0.00 C ATOM 649 OG1 THR A 45 -3.957 21.699 -17.006 1.00 0.00 O ATOM 650 CG2 THR A 45 -2.066 21.203 -15.588 1.00 0.00 C ATOM 0 H THR A 45 -4.812 18.960 -17.164 1.00 0.00 H new ATOM 0 HA THR A 45 -3.708 19.456 -14.527 1.00 0.00 H new ATOM 0 HB THR A 45 -3.950 21.985 -14.958 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.553 22.572 -17.192 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.643 22.183 -15.808 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.784 20.905 -14.578 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.683 20.474 -16.302 1.00 0.00 H new ATOM 658 N CYS A 46 -5.972 20.441 -13.810 1.00 0.00 N ATOM 659 CA CYS A 46 -7.345 20.657 -13.368 1.00 0.00 C ATOM 660 C CYS A 46 -7.403 21.714 -12.270 1.00 0.00 C ATOM 661 O CYS A 46 -6.398 22.007 -11.622 1.00 0.00 O ATOM 662 CB CYS A 46 -7.953 19.347 -12.865 1.00 0.00 C ATOM 663 SG CYS A 46 -9.746 19.403 -12.639 1.00 0.00 S ATOM 0 H CYS A 46 -5.269 20.581 -13.085 1.00 0.00 H new ATOM 0 HA CYS A 46 -7.923 21.013 -14.221 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.711 18.552 -13.571 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.486 19.083 -11.916 1.00 0.00 H new ATOM 0 HG CYS A 46 -10.021 19.513 -11.373 1.00 0.00 H new ATOM 669 N LEU A 47 -8.586 22.284 -12.068 1.00 0.00 N ATOM 670 CA LEU A 47 -8.775 23.311 -11.049 1.00 0.00 C ATOM 671 C LEU A 47 -9.426 22.725 -9.800 1.00 0.00 C ATOM 672 O LEU A 47 -10.203 23.395 -9.120 1.00 0.00 O ATOM 673 CB LEU A 47 -9.635 24.451 -11.599 1.00 0.00 C ATOM 674 CG LEU A 47 -8.878 25.599 -12.267 1.00 0.00 C ATOM 675 CD1 LEU A 47 -7.947 26.275 -11.272 1.00 0.00 C ATOM 676 CD2 LEU A 47 -8.099 25.095 -13.473 1.00 0.00 C ATOM 0 H LEU A 47 -9.428 22.053 -12.596 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.795 23.702 -10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.336 24.034 -12.323 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.227 24.860 -10.781 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.604 26.335 -12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.417 27.090 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.529 26.672 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.227 25.548 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.567 25.926 -13.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.383 24.338 -13.153 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.789 24.659 -14.196 1.00 0.00 H new ATOM 688 N SER A 48 -9.103 21.470 -9.504 1.00 0.00 N ATOM 689 CA SER A 48 -9.657 20.793 -8.337 1.00 0.00 C ATOM 690 C SER A 48 -8.868 19.527 -8.018 1.00 0.00 C ATOM 691 O SER A 48 -8.991 18.514 -8.706 1.00 0.00 O ATOM 692 CB SER A 48 -11.128 20.444 -8.575 1.00 0.00 C ATOM 693 OG SER A 48 -11.976 21.502 -8.163 1.00 0.00 O ATOM 0 H SER A 48 -8.461 20.902 -10.056 1.00 0.00 H new ATOM 0 HA SER A 48 -9.584 21.470 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.289 20.235 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.383 19.536 -8.029 1.00 0.00 H new ATOM 0 HG SER A 48 -11.571 22.360 -8.408 1.00 0.00 H new ATOM 699 N LYS A 49 -8.056 19.593 -6.968 1.00 0.00 N ATOM 700 CA LYS A 49 -7.246 18.454 -6.554 1.00 0.00 C ATOM 701 C LYS A 49 -8.056 17.163 -6.607 1.00 0.00 C ATOM 702 O LYS A 49 -7.600 16.155 -7.146 1.00 0.00 O ATOM 703 CB LYS A 49 -6.708 18.673 -5.138 1.00 0.00 C ATOM 704 CG LYS A 49 -7.712 19.318 -4.198 1.00 0.00 C ATOM 705 CD LYS A 49 -7.141 19.481 -2.800 1.00 0.00 C ATOM 706 CE LYS A 49 -6.342 20.769 -2.671 1.00 0.00 C ATOM 707 NZ LYS A 49 -5.509 20.784 -1.436 1.00 0.00 N ATOM 0 H LYS A 49 -7.942 20.424 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.408 18.365 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.399 17.713 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.817 19.299 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.004 20.293 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.615 18.709 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.952 19.480 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.502 18.630 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.700 20.887 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.024 21.620 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.980 21.678 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.124 20.697 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.841 19.987 -1.458 1.00 0.00 H new ATOM 721 N GLY A 50 -9.260 17.201 -6.046 1.00 0.00 N ATOM 722 CA GLY A 50 -10.114 16.027 -6.042 1.00 0.00 C ATOM 723 C GLY A 50 -10.283 15.429 -7.424 1.00 0.00 C ATOM 724 O GLY A 50 -10.074 14.231 -7.620 1.00 0.00 O ATOM 0 H GLY A 50 -9.660 18.023 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.692 15.276 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.092 16.295 -5.643 1.00 0.00 H new ATOM 728 N HIS A 51 -10.663 16.263 -8.387 1.00 0.00 N ATOM 729 CA HIS A 51 -10.861 15.808 -9.759 1.00 0.00 C ATOM 730 C HIS A 51 -9.575 15.213 -10.325 1.00 0.00 C ATOM 731 O HIS A 51 -9.587 14.137 -10.923 1.00 0.00 O ATOM 732 CB HIS A 51 -11.332 16.966 -10.639 1.00 0.00 C ATOM 733 CG HIS A 51 -12.197 16.535 -11.783 1.00 0.00 C ATOM 734 ND1 HIS A 51 -12.468 17.342 -12.868 1.00 0.00 N ATOM 735 CD2 HIS A 51 -12.853 15.372 -12.008 1.00 0.00 C ATOM 736 CE1 HIS A 51 -13.254 16.695 -13.710 1.00 0.00 C ATOM 737 NE2 HIS A 51 -13.502 15.497 -13.212 1.00 0.00 N ATOM 0 H HIS A 51 -10.840 17.257 -8.243 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.627 15.032 -9.752 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.884 17.677 -10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.461 17.492 -11.031 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -12.116 18.290 -13.000 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.864 14.507 -11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.630 17.080 -14.646 1.00 0.00 H new ATOM 745 N LEU A 52 -8.467 15.921 -10.133 1.00 0.00 N ATOM 746 CA LEU A 52 -7.172 15.464 -10.625 1.00 0.00 C ATOM 747 C LEU A 52 -6.971 13.981 -10.331 1.00 0.00 C ATOM 748 O LEU A 52 -6.526 13.221 -11.192 1.00 0.00 O ATOM 749 CB LEU A 52 -6.046 16.279 -9.987 1.00 0.00 C ATOM 750 CG LEU A 52 -4.636 15.704 -10.133 1.00 0.00 C ATOM 751 CD1 LEU A 52 -4.259 15.582 -11.601 1.00 0.00 C ATOM 752 CD2 LEU A 52 -3.628 16.570 -9.391 1.00 0.00 C ATOM 0 H LEU A 52 -8.440 16.814 -9.640 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.149 15.608 -11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.056 17.278 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.263 16.392 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.623 14.707 -9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.253 15.171 -11.685 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.964 14.921 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.289 16.567 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.630 16.146 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.643 17.579 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.888 16.605 -8.333 1.00 0.00 H new ATOM 764 N LYS A 53 -7.305 13.574 -9.111 1.00 0.00 N ATOM 765 CA LYS A 53 -7.165 12.181 -8.704 1.00 0.00 C ATOM 766 C LYS A 53 -7.925 11.258 -9.651 1.00 0.00 C ATOM 767 O LYS A 53 -7.400 10.236 -10.093 1.00 0.00 O ATOM 768 CB LYS A 53 -7.674 11.993 -7.273 1.00 0.00 C ATOM 769 CG LYS A 53 -7.835 10.537 -6.871 1.00 0.00 C ATOM 770 CD LYS A 53 -8.062 10.393 -5.376 1.00 0.00 C ATOM 771 CE LYS A 53 -6.746 10.365 -4.613 1.00 0.00 C ATOM 772 NZ LYS A 53 -6.937 10.666 -3.167 1.00 0.00 N ATOM 0 H LYS A 53 -7.675 14.190 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.107 11.921 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.982 12.477 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.634 12.498 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.675 10.100 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.945 9.978 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.674 11.221 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.618 9.477 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.284 9.384 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.059 11.091 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.017 10.637 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.355 11.613 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.573 9.959 -2.746 1.00 0.00 H new ATOM 786 N VAL A 54 -9.165 11.625 -9.959 1.00 0.00 N ATOM 787 CA VAL A 54 -9.997 10.832 -10.856 1.00 0.00 C ATOM 788 C VAL A 54 -9.344 10.686 -12.226 1.00 0.00 C ATOM 789 O VAL A 54 -9.363 9.609 -12.823 1.00 0.00 O ATOM 790 CB VAL A 54 -11.393 11.459 -11.028 1.00 0.00 C ATOM 791 CG1 VAL A 54 -12.224 10.649 -12.012 1.00 0.00 C ATOM 792 CG2 VAL A 54 -12.098 11.568 -9.685 1.00 0.00 C ATOM 0 H VAL A 54 -9.616 12.467 -9.600 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.103 9.847 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.273 12.465 -11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.207 11.107 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.724 10.629 -12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.337 9.630 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.083 12.013 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.208 10.575 -9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.509 12.194 -9.015 1.00 0.00 H new ATOM 802 N HIS A 55 -8.766 11.776 -12.719 1.00 0.00 N ATOM 803 CA HIS A 55 -8.106 11.770 -14.019 1.00 0.00 C ATOM 804 C HIS A 55 -7.106 10.621 -14.115 1.00 0.00 C ATOM 805 O HIS A 55 -7.069 9.900 -15.113 1.00 0.00 O ATOM 806 CB HIS A 55 -7.394 13.102 -14.260 1.00 0.00 C ATOM 807 CG HIS A 55 -6.385 13.050 -15.366 1.00 0.00 C ATOM 808 ND1 HIS A 55 -6.701 13.298 -16.685 1.00 0.00 N ATOM 809 CD2 HIS A 55 -5.059 12.779 -15.342 1.00 0.00 C ATOM 810 CE1 HIS A 55 -5.613 13.180 -17.425 1.00 0.00 C ATOM 811 NE2 HIS A 55 -4.603 12.866 -16.635 1.00 0.00 N ATOM 0 H HIS A 55 -8.741 12.675 -12.238 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.869 11.631 -14.785 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.137 13.865 -14.493 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.897 13.411 -13.340 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.470 12.539 -14.469 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.559 13.317 -18.495 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.640 12.713 -16.936 1.00 0.00 H new ATOM 819 N ILE A 56 -6.298 10.458 -13.074 1.00 0.00 N ATOM 820 CA ILE A 56 -5.299 9.397 -13.041 1.00 0.00 C ATOM 821 C ILE A 56 -5.945 8.041 -12.774 1.00 0.00 C ATOM 822 O ILE A 56 -5.535 7.027 -13.336 1.00 0.00 O ATOM 823 CB ILE A 56 -4.229 9.663 -11.966 1.00 0.00 C ATOM 824 CG1 ILE A 56 -3.529 10.997 -12.232 1.00 0.00 C ATOM 825 CG2 ILE A 56 -3.219 8.526 -11.930 1.00 0.00 C ATOM 826 CD1 ILE A 56 -2.949 11.634 -10.989 1.00 0.00 C ATOM 0 H ILE A 56 -6.315 11.047 -12.242 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.822 9.383 -14.021 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.718 9.718 -10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.730 10.840 -12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.240 11.687 -12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.469 8.729 -11.165 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.731 7.592 -11.698 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.732 8.441 -12.902 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.468 12.576 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.747 11.823 -10.271 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.213 10.963 -10.546 1.00 0.00 H new ATOM 838 N GLU A 57 -6.959 8.034 -11.914 1.00 0.00 N ATOM 839 CA GLU A 57 -7.662 6.803 -11.574 1.00 0.00 C ATOM 840 C GLU A 57 -8.498 6.310 -12.753 1.00 0.00 C ATOM 841 O GLU A 57 -8.989 5.182 -12.750 1.00 0.00 O ATOM 842 CB GLU A 57 -8.561 7.023 -10.355 1.00 0.00 C ATOM 843 CG GLU A 57 -7.822 7.570 -9.145 1.00 0.00 C ATOM 844 CD GLU A 57 -7.320 6.474 -8.224 1.00 0.00 C ATOM 845 OE1 GLU A 57 -8.119 5.578 -7.879 1.00 0.00 O ATOM 846 OE2 GLU A 57 -6.130 6.514 -7.848 1.00 0.00 O ATOM 0 H GLU A 57 -7.311 8.866 -11.441 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.917 6.044 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.361 7.713 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.032 6.078 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.978 8.172 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.485 8.233 -8.588 1.00 0.00 H new ATOM 853 N ARG A 58 -8.654 7.165 -13.758 1.00 0.00 N ATOM 854 CA ARG A 58 -9.430 6.818 -14.942 1.00 0.00 C ATOM 855 C ARG A 58 -8.534 6.729 -16.174 1.00 0.00 C ATOM 856 O ARG A 58 -8.787 5.940 -17.083 1.00 0.00 O ATOM 857 CB ARG A 58 -10.534 7.852 -15.175 1.00 0.00 C ATOM 858 CG ARG A 58 -10.095 9.029 -16.032 1.00 0.00 C ATOM 859 CD ARG A 58 -11.068 10.192 -15.920 1.00 0.00 C ATOM 860 NE ARG A 58 -12.306 9.943 -16.653 1.00 0.00 N ATOM 861 CZ ARG A 58 -12.450 10.176 -17.953 1.00 0.00 C ATOM 862 NH1 ARG A 58 -11.439 10.661 -18.659 1.00 0.00 N ATOM 863 NH2 ARG A 58 -13.609 9.924 -18.549 1.00 0.00 N ATOM 0 H ARG A 58 -8.253 8.103 -13.776 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.885 5.842 -14.774 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.383 7.363 -15.652 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.881 8.225 -14.211 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.101 9.354 -15.725 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.020 8.715 -17.073 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.299 10.372 -14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.596 11.097 -16.302 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.104 9.570 -16.139 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.547 10.857 -18.205 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.553 10.839 -19.657 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.390 9.551 -18.009 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.719 10.103 -19.547 1.00 0.00 H new ATOM 877 N VAL A 59 -7.485 7.546 -16.196 1.00 0.00 N ATOM 878 CA VAL A 59 -6.550 7.559 -17.315 1.00 0.00 C ATOM 879 C VAL A 59 -5.309 6.730 -17.004 1.00 0.00 C ATOM 880 O VAL A 59 -5.009 5.757 -17.697 1.00 0.00 O ATOM 881 CB VAL A 59 -6.119 8.995 -17.669 1.00 0.00 C ATOM 882 CG1 VAL A 59 -5.063 8.981 -18.763 1.00 0.00 C ATOM 883 CG2 VAL A 59 -7.324 9.823 -18.090 1.00 0.00 C ATOM 0 H VAL A 59 -7.262 8.207 -15.452 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.070 7.123 -18.168 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.682 9.455 -16.782 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.771 10.004 -19.000 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.191 8.425 -18.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.469 8.504 -19.655 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.002 10.835 -18.337 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.791 9.368 -18.963 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.043 9.861 -17.272 1.00 0.00 H new ATOM 893 N HIS A 60 -4.590 7.121 -15.957 1.00 0.00 N ATOM 894 CA HIS A 60 -3.380 6.413 -15.552 1.00 0.00 C ATOM 895 C HIS A 60 -3.653 5.515 -14.350 1.00 0.00 C ATOM 896 O HIS A 60 -2.996 5.629 -13.314 1.00 0.00 O ATOM 897 CB HIS A 60 -2.268 7.408 -15.219 1.00 0.00 C ATOM 898 CG HIS A 60 -2.162 8.537 -16.197 1.00 0.00 C ATOM 899 ND1 HIS A 60 -1.477 8.438 -17.390 1.00 0.00 N ATOM 900 CD2 HIS A 60 -2.660 9.795 -16.155 1.00 0.00 C ATOM 901 CE1 HIS A 60 -1.557 9.586 -18.038 1.00 0.00 C ATOM 902 NE2 HIS A 60 -2.270 10.426 -17.311 1.00 0.00 N ATOM 0 H HIS A 60 -4.824 7.924 -15.373 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.059 5.787 -16.385 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.443 7.816 -14.223 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.316 6.878 -15.184 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.253 10.223 -15.361 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.114 9.801 -18.999 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.495 11.388 -17.566 1.00 0.00 H new ATOM 910 N LYS A 61 -4.626 4.621 -14.493 1.00 0.00 N ATOM 911 CA LYS A 61 -4.986 3.703 -13.419 1.00 0.00 C ATOM 912 C LYS A 61 -4.181 2.411 -13.516 1.00 0.00 C ATOM 913 O LYS A 61 -4.340 1.637 -14.460 1.00 0.00 O ATOM 914 CB LYS A 61 -6.483 3.388 -13.470 1.00 0.00 C ATOM 915 CG LYS A 61 -6.879 2.179 -12.641 1.00 0.00 C ATOM 916 CD LYS A 61 -6.457 2.335 -11.190 1.00 0.00 C ATOM 917 CE LYS A 61 -7.313 3.365 -10.469 1.00 0.00 C ATOM 918 NZ LYS A 61 -8.580 2.774 -9.958 1.00 0.00 N ATOM 0 H LYS A 61 -5.180 4.513 -15.343 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.754 4.185 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.041 4.257 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.775 3.219 -14.506 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.959 2.039 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.420 1.283 -13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.536 1.374 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.410 2.634 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.749 3.788 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.543 4.185 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.135 3.508 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.131 2.393 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.361 2.008 -9.290 1.00 0.00 H new ATOM 995 N GLN A 65 5.244 2.520 -15.881 1.00 0.00 N ATOM 996 CA GLN A 65 6.161 3.075 -16.869 1.00 0.00 C ATOM 997 C GLN A 65 7.500 2.347 -16.840 1.00 0.00 C ATOM 998 O GLN A 65 8.484 2.856 -16.301 1.00 0.00 O ATOM 999 CB GLN A 65 6.373 4.569 -16.616 1.00 0.00 C ATOM 1000 CG GLN A 65 5.329 5.453 -17.278 1.00 0.00 C ATOM 1001 CD GLN A 65 5.053 6.719 -16.492 1.00 0.00 C ATOM 1002 OE1 GLN A 65 3.900 7.060 -16.225 1.00 0.00 O ATOM 1003 NE2 GLN A 65 6.112 7.426 -16.116 1.00 0.00 N ATOM 0 HA GLN A 65 5.717 2.940 -17.855 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.363 4.752 -15.541 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.361 4.854 -16.979 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.666 5.718 -18.280 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.402 4.891 -17.392 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.050 7.107 -16.358 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.987 8.288 -15.585 1.00 0.00 H new ATOM 1012 N HIS A 66 7.532 1.153 -17.423 1.00 0.00 N ATOM 1013 CA HIS A 66 8.752 0.354 -17.463 1.00 0.00 C ATOM 1014 C HIS A 66 9.568 0.672 -18.712 1.00 0.00 C ATOM 1015 O HIS A 66 9.081 0.538 -19.836 1.00 0.00 O ATOM 1016 CB HIS A 66 8.412 -1.136 -17.427 1.00 0.00 C ATOM 1017 CG HIS A 66 8.084 -1.709 -18.772 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.798 -1.788 -19.263 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.884 -2.229 -19.732 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.821 -2.335 -20.465 1.00 0.00 C ATOM 1021 NE2 HIS A 66 8.076 -2.611 -20.773 1.00 0.00 N ATOM 0 H HIS A 66 6.728 0.717 -17.874 1.00 0.00 H new ATOM 0 HA HIS A 66 9.350 0.603 -16.586 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.255 -1.682 -17.004 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.565 -1.291 -16.759 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.959 -2.325 -19.687 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.961 -2.524 -21.090 1.00 0.00 H new ATOM 0 HE2 HIS A 66 8.393 -3.039 -21.643 1.00 0.00 H new ATOM 1029 N CYS A 67 10.811 1.094 -18.509 1.00 0.00 N ATOM 1030 CA CYS A 67 11.695 1.432 -19.618 1.00 0.00 C ATOM 1031 C CYS A 67 11.655 0.352 -20.695 1.00 0.00 C ATOM 1032 O CYS A 67 11.243 -0.779 -20.439 1.00 0.00 O ATOM 1033 CB CYS A 67 13.129 1.615 -19.117 1.00 0.00 C ATOM 1034 SG CYS A 67 14.195 2.570 -20.244 1.00 0.00 S ATOM 0 H CYS A 67 11.229 1.210 -17.586 1.00 0.00 H new ATOM 0 HA CYS A 67 11.347 2.368 -20.054 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.103 2.114 -18.149 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.575 0.633 -18.957 1.00 0.00 H new ATOM 0 HG CYS A 67 15.435 2.225 -20.065 1.00 0.00 H new ATOM 1039 N ARG A 68 12.085 0.710 -21.901 1.00 0.00 N ATOM 1040 CA ARG A 68 12.097 -0.227 -23.017 1.00 0.00 C ATOM 1041 C ARG A 68 13.477 -0.857 -23.183 1.00 0.00 C ATOM 1042 O ARG A 68 13.653 -1.796 -23.960 1.00 0.00 O ATOM 1043 CB ARG A 68 11.688 0.481 -24.310 1.00 0.00 C ATOM 1044 CG ARG A 68 11.504 -0.461 -25.488 1.00 0.00 C ATOM 1045 CD ARG A 68 12.145 0.093 -26.751 1.00 0.00 C ATOM 1046 NE ARG A 68 11.697 -0.613 -27.948 1.00 0.00 N ATOM 1047 CZ ARG A 68 12.496 -0.917 -28.964 1.00 0.00 C ATOM 1048 NH1 ARG A 68 13.777 -0.578 -28.929 1.00 0.00 N ATOM 1049 NH2 ARG A 68 12.014 -1.562 -30.019 1.00 0.00 N ATOM 0 H ARG A 68 12.430 1.642 -22.130 1.00 0.00 H new ATOM 0 HA ARG A 68 11.379 -1.018 -22.802 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.757 1.022 -24.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.446 1.223 -24.564 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.942 -1.431 -25.252 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.440 -0.626 -25.661 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.906 1.152 -26.844 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.229 0.017 -26.670 1.00 0.00 H new ATOM 0 HE ARG A 68 10.716 -0.888 -28.007 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.151 -0.082 -28.120 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.388 -0.813 -29.711 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.029 -1.825 -30.050 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.629 -1.795 -30.799 1.00 0.00 H new ATOM 1063 N PHE A 69 14.453 -0.333 -22.450 1.00 0.00 N ATOM 1064 CA PHE A 69 15.818 -0.842 -22.517 1.00 0.00 C ATOM 1065 C PHE A 69 16.152 -1.666 -21.277 1.00 0.00 C ATOM 1066 O PHE A 69 16.437 -2.861 -21.370 1.00 0.00 O ATOM 1067 CB PHE A 69 16.810 0.315 -22.657 1.00 0.00 C ATOM 1068 CG PHE A 69 16.680 1.062 -23.953 1.00 0.00 C ATOM 1069 CD1 PHE A 69 15.466 1.611 -24.333 1.00 0.00 C ATOM 1070 CD2 PHE A 69 17.772 1.215 -24.792 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.343 2.300 -25.525 1.00 0.00 C ATOM 1072 CE2 PHE A 69 17.655 1.904 -25.985 1.00 0.00 C ATOM 1073 CZ PHE A 69 16.439 2.445 -26.353 1.00 0.00 C ATOM 0 H PHE A 69 14.324 0.444 -21.802 1.00 0.00 H new ATOM 0 HA PHE A 69 15.897 -1.487 -23.392 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.664 1.010 -21.830 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.824 -0.074 -22.571 1.00 0.00 H new ATOM 0 HD1 PHE A 69 14.605 1.499 -23.690 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.725 0.791 -24.511 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.391 2.724 -25.809 1.00 0.00 H new ATOM 0 HE2 PHE A 69 18.514 2.019 -26.629 1.00 0.00 H new ATOM 0 HZ PHE A 69 16.345 2.980 -27.286 1.00 0.00 H new ATOM 1083 N CYS A 70 16.116 -1.020 -20.117 1.00 0.00 N ATOM 1084 CA CYS A 70 16.415 -1.691 -18.858 1.00 0.00 C ATOM 1085 C CYS A 70 15.134 -2.011 -18.093 1.00 0.00 C ATOM 1086 O CYS A 70 15.150 -2.177 -16.873 1.00 0.00 O ATOM 1087 CB CYS A 70 17.332 -0.820 -17.997 1.00 0.00 C ATOM 1088 SG CYS A 70 16.683 0.853 -17.678 1.00 0.00 S ATOM 0 H CYS A 70 15.882 -0.032 -20.023 1.00 0.00 H new ATOM 0 HA CYS A 70 16.924 -2.628 -19.087 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.501 -1.321 -17.044 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.301 -0.735 -18.488 1.00 0.00 H new ATOM 0 HG CYS A 70 17.037 1.647 -18.644 1.00 0.00 H new ATOM 1093 N LYS A 71 14.024 -2.096 -18.819 1.00 0.00 N ATOM 1094 CA LYS A 71 12.733 -2.397 -18.212 1.00 0.00 C ATOM 1095 C LYS A 71 12.667 -1.865 -16.783 1.00 0.00 C ATOM 1096 O LYS A 71 12.111 -2.511 -15.894 1.00 0.00 O ATOM 1097 CB LYS A 71 12.484 -3.907 -18.217 1.00 0.00 C ATOM 1098 CG LYS A 71 13.424 -4.682 -17.310 1.00 0.00 C ATOM 1099 CD LYS A 71 14.638 -5.190 -18.069 1.00 0.00 C ATOM 1100 CE LYS A 71 15.500 -6.094 -17.201 1.00 0.00 C ATOM 1101 NZ LYS A 71 16.206 -5.330 -16.135 1.00 0.00 N ATOM 0 H LYS A 71 13.993 -1.960 -19.829 1.00 0.00 H new ATOM 0 HA LYS A 71 11.959 -1.905 -18.801 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.456 -4.098 -17.909 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.586 -4.280 -19.236 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.748 -4.043 -16.489 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.892 -5.524 -16.867 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.313 -5.736 -18.954 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.231 -4.344 -18.417 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.876 -6.862 -16.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.232 -6.607 -17.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.233 -5.443 -16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.958 -4.323 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.920 -5.690 -15.202 1.00 0.00 H new ATOM 1115 N LYS A 72 13.235 -0.683 -16.570 1.00 0.00 N ATOM 1116 CA LYS A 72 13.238 -0.062 -15.251 1.00 0.00 C ATOM 1117 C LYS A 72 11.909 0.633 -14.973 1.00 0.00 C ATOM 1118 O LYS A 72 11.426 1.420 -15.787 1.00 0.00 O ATOM 1119 CB LYS A 72 14.385 0.945 -15.141 1.00 0.00 C ATOM 1120 CG LYS A 72 14.669 1.390 -13.717 1.00 0.00 C ATOM 1121 CD LYS A 72 16.080 1.938 -13.575 1.00 0.00 C ATOM 1122 CE LYS A 72 17.114 0.823 -13.582 1.00 0.00 C ATOM 1123 NZ LYS A 72 16.974 -0.071 -12.399 1.00 0.00 N ATOM 0 H LYS A 72 13.700 -0.136 -17.295 1.00 0.00 H new ATOM 0 HA LYS A 72 13.379 -0.847 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.288 0.502 -15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.148 1.820 -15.746 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.950 2.154 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.535 0.548 -13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.286 2.632 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.160 2.504 -12.647 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.009 0.236 -14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.114 1.256 -13.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.863 -0.590 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.760 0.499 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.202 -0.747 -12.565 1.00 0.00 H new ATOM 1137 N LYS A 73 11.322 0.338 -13.818 1.00 0.00 N ATOM 1138 CA LYS A 73 10.049 0.935 -13.431 1.00 0.00 C ATOM 1139 C LYS A 73 10.224 2.412 -13.090 1.00 0.00 C ATOM 1140 O LYS A 73 11.202 2.800 -12.451 1.00 0.00 O ATOM 1141 CB LYS A 73 9.456 0.190 -12.234 1.00 0.00 C ATOM 1142 CG LYS A 73 8.558 -0.971 -12.624 1.00 0.00 C ATOM 1143 CD LYS A 73 8.182 -1.815 -11.418 1.00 0.00 C ATOM 1144 CE LYS A 73 6.854 -2.526 -11.627 1.00 0.00 C ATOM 1145 NZ LYS A 73 7.009 -3.764 -12.440 1.00 0.00 N ATOM 0 H LYS A 73 11.708 -0.312 -13.133 1.00 0.00 H new ATOM 0 HA LYS A 73 9.365 0.853 -14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.268 -0.184 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.885 0.892 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.654 -0.589 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.066 -1.593 -13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.964 -2.551 -11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.121 -1.181 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.421 -2.779 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.155 -1.852 -12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.082 -4.219 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.398 -3.520 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.656 -4.419 -11.956 1.00 0.00 H new ATOM 1159 N TYR A 74 9.268 3.230 -13.517 1.00 0.00 N ATOM 1160 CA TYR A 74 9.317 4.664 -13.257 1.00 0.00 C ATOM 1161 C TYR A 74 7.974 5.170 -12.740 1.00 0.00 C ATOM 1162 O TYR A 74 6.955 4.489 -12.855 1.00 0.00 O ATOM 1163 CB TYR A 74 9.705 5.421 -14.528 1.00 0.00 C ATOM 1164 CG TYR A 74 11.199 5.553 -14.722 1.00 0.00 C ATOM 1165 CD1 TYR A 74 11.945 4.507 -15.250 1.00 0.00 C ATOM 1166 CD2 TYR A 74 11.864 6.723 -14.377 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.310 4.622 -15.429 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.228 6.848 -14.554 1.00 0.00 C ATOM 1169 CZ TYR A 74 13.947 5.795 -15.080 1.00 0.00 C ATOM 1170 OH TYR A 74 15.306 5.915 -15.256 1.00 0.00 O ATOM 0 H TYR A 74 8.450 2.925 -14.044 1.00 0.00 H new ATOM 0 HA TYR A 74 10.071 4.843 -12.491 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.279 4.908 -15.390 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.262 6.416 -14.498 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.449 3.588 -15.525 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.305 7.549 -13.963 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.875 3.798 -15.840 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.729 7.765 -14.282 1.00 0.00 H new ATOM 0 HH TYR A 74 15.669 5.068 -15.589 1.00 0.00 H new ATOM 1180 N SER A 75 7.981 6.370 -12.169 1.00 0.00 N ATOM 1181 CA SER A 75 6.765 6.968 -11.631 1.00 0.00 C ATOM 1182 C SER A 75 6.254 8.077 -12.545 1.00 0.00 C ATOM 1183 O SER A 75 5.078 8.106 -12.909 1.00 0.00 O ATOM 1184 CB SER A 75 7.022 7.524 -10.229 1.00 0.00 C ATOM 1185 OG SER A 75 5.817 7.618 -9.489 1.00 0.00 O ATOM 0 H SER A 75 8.816 6.947 -12.067 1.00 0.00 H new ATOM 0 HA SER A 75 6.003 6.191 -11.572 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.726 6.880 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.484 8.508 -10.304 1.00 0.00 H new ATOM 0 HG SER A 75 6.008 7.974 -8.596 1.00 0.00 H new ATOM 1191 N ASP A 76 7.147 8.990 -12.913 1.00 0.00 N ATOM 1192 CA ASP A 76 6.789 10.102 -13.786 1.00 0.00 C ATOM 1193 C ASP A 76 7.400 9.924 -15.172 1.00 0.00 C ATOM 1194 O ASP A 76 8.619 9.824 -15.316 1.00 0.00 O ATOM 1195 CB ASP A 76 7.252 11.426 -13.177 1.00 0.00 C ATOM 1196 CG ASP A 76 7.110 11.450 -11.667 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.973 11.287 -11.175 1.00 0.00 O ATOM 1198 OD2 ASP A 76 8.136 11.630 -10.978 1.00 0.00 O ATOM 0 H ASP A 76 8.124 8.982 -12.620 1.00 0.00 H new ATOM 0 HA ASP A 76 5.704 10.117 -13.887 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.294 11.600 -13.444 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.672 12.243 -13.607 1.00 0.00 H new ATOM 1203 N VAL A 77 6.546 9.883 -16.190 1.00 0.00 N ATOM 1204 CA VAL A 77 7.002 9.717 -17.564 1.00 0.00 C ATOM 1205 C VAL A 77 8.120 10.700 -17.895 1.00 0.00 C ATOM 1206 O VAL A 77 9.164 10.316 -18.423 1.00 0.00 O ATOM 1207 CB VAL A 77 5.849 9.912 -18.566 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.281 11.319 -18.460 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.320 9.623 -19.983 1.00 0.00 C ATOM 0 H VAL A 77 5.534 9.963 -16.088 1.00 0.00 H new ATOM 0 HA VAL A 77 7.380 8.698 -17.651 1.00 0.00 H new ATOM 0 HB VAL A 77 5.055 9.207 -18.321 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.467 11.438 -19.176 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.904 11.484 -17.451 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.064 12.045 -18.677 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.492 9.766 -20.678 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.132 10.302 -20.242 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.673 8.594 -20.046 1.00 0.00 H new ATOM 1219 N LYS A 78 7.894 11.971 -17.581 1.00 0.00 N ATOM 1220 CA LYS A 78 8.882 13.012 -17.842 1.00 0.00 C ATOM 1221 C LYS A 78 10.296 12.488 -17.618 1.00 0.00 C ATOM 1222 O LYS A 78 11.137 12.538 -18.515 1.00 0.00 O ATOM 1223 CB LYS A 78 8.627 14.223 -16.943 1.00 0.00 C ATOM 1224 CG LYS A 78 7.388 15.015 -17.327 1.00 0.00 C ATOM 1225 CD LYS A 78 7.601 15.794 -18.614 1.00 0.00 C ATOM 1226 CE LYS A 78 8.132 17.192 -18.339 1.00 0.00 C ATOM 1227 NZ LYS A 78 9.620 17.238 -18.375 1.00 0.00 N ATOM 0 H LYS A 78 7.035 12.306 -17.145 1.00 0.00 H new ATOM 0 HA LYS A 78 8.787 13.315 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.527 13.885 -15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.495 14.881 -16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.544 14.336 -17.447 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.131 15.704 -16.522 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.302 15.257 -19.254 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.660 15.862 -19.159 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.729 17.885 -19.078 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.782 17.528 -17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.979 17.587 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.993 16.283 -18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.929 17.876 -19.136 1.00 0.00 H new ATOM 1241 N ASN A 79 10.552 11.984 -16.415 1.00 0.00 N ATOM 1242 CA ASN A 79 11.865 11.449 -16.073 1.00 0.00 C ATOM 1243 C ASN A 79 12.237 10.291 -16.994 1.00 0.00 C ATOM 1244 O ASN A 79 13.315 10.279 -17.590 1.00 0.00 O ATOM 1245 CB ASN A 79 11.886 10.984 -14.616 1.00 0.00 C ATOM 1246 CG ASN A 79 12.157 12.121 -13.650 1.00 0.00 C ATOM 1247 OD1 ASN A 79 13.308 12.495 -13.420 1.00 0.00 O ATOM 1248 ND2 ASN A 79 11.095 12.677 -13.077 1.00 0.00 N ATOM 0 H ASN A 79 9.867 11.935 -15.661 1.00 0.00 H new ATOM 0 HA ASN A 79 12.599 12.244 -16.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.929 10.523 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.650 10.217 -14.493 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.215 13.446 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.159 12.335 -13.297 1.00 0.00 H new ATOM 1255 N LEU A 80 11.339 9.319 -17.105 1.00 0.00 N ATOM 1256 CA LEU A 80 11.572 8.155 -17.954 1.00 0.00 C ATOM 1257 C LEU A 80 12.195 8.568 -19.284 1.00 0.00 C ATOM 1258 O LEU A 80 13.086 7.892 -19.799 1.00 0.00 O ATOM 1259 CB LEU A 80 10.259 7.410 -18.202 1.00 0.00 C ATOM 1260 CG LEU A 80 10.327 6.243 -19.188 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.209 5.132 -18.641 1.00 0.00 C ATOM 1262 CD2 LEU A 80 8.930 5.718 -19.489 1.00 0.00 C ATOM 0 H LEU A 80 10.443 9.313 -16.618 1.00 0.00 H new ATOM 0 HA LEU A 80 12.267 7.492 -17.438 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.892 7.032 -17.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.522 8.125 -18.566 1.00 0.00 H new ATOM 0 HG LEU A 80 10.767 6.603 -20.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.245 4.310 -19.356 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.216 5.515 -18.477 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.799 4.773 -17.697 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.997 4.888 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.464 5.375 -18.566 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.328 6.515 -19.925 1.00 0.00 H new ATOM 1274 N ILE A 81 11.721 9.681 -19.833 1.00 0.00 N ATOM 1275 CA ILE A 81 12.234 10.184 -21.101 1.00 0.00 C ATOM 1276 C ILE A 81 13.707 10.563 -20.987 1.00 0.00 C ATOM 1277 O ILE A 81 14.554 10.033 -21.707 1.00 0.00 O ATOM 1278 CB ILE A 81 11.436 11.410 -21.585 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.935 11.114 -21.551 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.872 11.806 -22.987 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.508 10.043 -22.529 1.00 0.00 C ATOM 0 H ILE A 81 10.983 10.251 -19.420 1.00 0.00 H new ATOM 0 HA ILE A 81 12.124 9.379 -21.827 1.00 0.00 H new ATOM 0 HB ILE A 81 11.638 12.245 -20.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.656 10.806 -20.543 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.387 12.031 -21.767 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.299 12.673 -23.315 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.934 12.053 -22.982 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.696 10.976 -23.671 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.432 9.886 -22.450 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.755 10.357 -23.543 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.028 9.113 -22.300 1.00 0.00 H new ATOM 1293 N LYS A 82 14.006 11.483 -20.076 1.00 0.00 N ATOM 1294 CA LYS A 82 15.377 11.932 -19.863 1.00 0.00 C ATOM 1295 C LYS A 82 16.291 10.755 -19.538 1.00 0.00 C ATOM 1296 O LYS A 82 17.432 10.696 -19.997 1.00 0.00 O ATOM 1297 CB LYS A 82 15.429 12.960 -18.731 1.00 0.00 C ATOM 1298 CG LYS A 82 16.634 13.882 -18.802 1.00 0.00 C ATOM 1299 CD LYS A 82 16.688 14.822 -17.609 1.00 0.00 C ATOM 1300 CE LYS A 82 15.646 15.925 -17.721 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.010 17.116 -16.904 1.00 0.00 N ATOM 0 H LYS A 82 13.317 11.932 -19.473 1.00 0.00 H new ATOM 0 HA LYS A 82 15.727 12.397 -20.784 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.520 13.561 -18.755 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.439 12.436 -17.775 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.547 13.287 -18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.595 14.464 -19.723 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.524 14.257 -16.691 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.682 15.264 -17.538 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.539 16.219 -18.765 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.678 15.544 -17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.276 17.845 -17.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.087 16.841 -15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.922 17.495 -17.230 1.00 0.00 H new ATOM 1315 N HIS A 83 15.782 9.819 -18.743 1.00 0.00 N ATOM 1316 CA HIS A 83 16.552 8.641 -18.358 1.00 0.00 C ATOM 1317 C HIS A 83 17.186 7.983 -19.580 1.00 0.00 C ATOM 1318 O HIS A 83 18.397 7.766 -19.621 1.00 0.00 O ATOM 1319 CB HIS A 83 15.659 7.638 -17.629 1.00 0.00 C ATOM 1320 CG HIS A 83 16.108 6.217 -17.778 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.208 5.703 -17.124 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.599 5.199 -18.511 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.357 4.431 -17.449 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.392 4.101 -18.289 1.00 0.00 N ATOM 0 H HIS A 83 14.840 9.853 -18.353 1.00 0.00 H new ATOM 0 HA HIS A 83 17.348 8.961 -17.686 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.631 7.892 -16.569 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.640 7.730 -18.006 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.812 6.224 -16.488 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.730 5.243 -19.151 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.135 3.773 -17.089 1.00 0.00 H new ATOM 1332 N ILE A 84 16.359 7.667 -20.571 1.00 0.00 N ATOM 1333 CA ILE A 84 16.839 7.033 -21.792 1.00 0.00 C ATOM 1334 C ILE A 84 17.943 7.860 -22.443 1.00 0.00 C ATOM 1335 O ILE A 84 18.945 7.318 -22.909 1.00 0.00 O ATOM 1336 CB ILE A 84 15.698 6.832 -22.808 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.702 5.794 -22.289 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.259 6.408 -24.157 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.292 6.004 -22.794 1.00 0.00 C ATOM 0 H ILE A 84 15.354 7.840 -20.552 1.00 0.00 H new ATOM 0 HA ILE A 84 17.237 6.059 -21.507 1.00 0.00 H new ATOM 0 HB ILE A 84 15.174 7.779 -22.936 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.040 4.800 -22.582 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.697 5.821 -21.199 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.441 6.270 -24.864 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.934 7.179 -24.529 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.805 5.471 -24.046 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.640 5.232 -22.386 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.935 6.984 -22.478 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.283 5.948 -23.883 1.00 0.00 H new ATOM 1351 N ARG A 85 17.754 9.175 -22.468 1.00 0.00 N ATOM 1352 CA ARG A 85 18.734 10.077 -23.060 1.00 0.00 C ATOM 1353 C ARG A 85 19.918 10.286 -22.121 1.00 0.00 C ATOM 1354 O ARG A 85 20.929 10.875 -22.502 1.00 0.00 O ATOM 1355 CB ARG A 85 18.086 11.423 -23.390 1.00 0.00 C ATOM 1356 CG ARG A 85 16.809 11.302 -24.205 1.00 0.00 C ATOM 1357 CD ARG A 85 16.232 12.667 -24.543 1.00 0.00 C ATOM 1358 NE ARG A 85 15.324 13.150 -23.506 1.00 0.00 N ATOM 1359 CZ ARG A 85 14.354 14.029 -23.730 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.166 14.519 -24.948 1.00 0.00 N ATOM 1361 NH2 ARG A 85 13.568 14.420 -22.734 1.00 0.00 N ATOM 0 H ARG A 85 16.931 9.640 -22.085 1.00 0.00 H new ATOM 0 HA ARG A 85 19.099 9.622 -23.981 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.865 11.948 -22.460 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.801 12.035 -23.940 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.014 10.755 -25.125 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.073 10.723 -23.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.045 13.381 -24.675 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.700 12.611 -25.493 1.00 0.00 H new ATOM 0 HE ARG A 85 15.441 12.793 -22.558 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.767 14.221 -25.716 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.420 15.194 -25.117 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.709 14.045 -21.796 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.823 15.095 -22.907 1.00 0.00 H new ATOM 1375 N ASP A 86 19.784 9.800 -20.892 1.00 0.00 N ATOM 1376 CA ASP A 86 20.842 9.933 -19.897 1.00 0.00 C ATOM 1377 C ASP A 86 21.696 8.670 -19.841 1.00 0.00 C ATOM 1378 O ASP A 86 22.919 8.741 -19.720 1.00 0.00 O ATOM 1379 CB ASP A 86 20.244 10.221 -18.520 1.00 0.00 C ATOM 1380 CG ASP A 86 19.360 11.453 -18.518 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.594 12.352 -19.353 1.00 0.00 O ATOM 1382 OD2 ASP A 86 18.435 11.518 -17.683 1.00 0.00 O ATOM 0 H ASP A 86 18.953 9.310 -20.561 1.00 0.00 H new ATOM 0 HA ASP A 86 21.479 10.768 -20.189 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.662 9.359 -18.193 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.050 10.354 -17.798 1.00 0.00 H new ATOM 1387 N ALA A 87 21.043 7.516 -19.928 1.00 0.00 N ATOM 1388 CA ALA A 87 21.743 6.238 -19.887 1.00 0.00 C ATOM 1389 C ALA A 87 21.770 5.583 -21.264 1.00 0.00 C ATOM 1390 O ALA A 87 22.832 5.210 -21.765 1.00 0.00 O ATOM 1391 CB ALA A 87 21.090 5.311 -18.873 1.00 0.00 C ATOM 0 H ALA A 87 20.031 7.440 -20.027 1.00 0.00 H new ATOM 0 HA ALA A 87 22.772 6.425 -19.582 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.623 4.360 -18.853 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.127 5.769 -17.885 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.051 5.139 -19.154 1.00 0.00 H new ATOM 1397 N HIS A 88 20.596 5.446 -21.873 1.00 0.00 N ATOM 1398 CA HIS A 88 20.486 4.836 -23.193 1.00 0.00 C ATOM 1399 C HIS A 88 20.626 5.886 -24.290 1.00 0.00 C ATOM 1400 O HIS A 88 19.818 5.942 -25.217 1.00 0.00 O ATOM 1401 CB HIS A 88 19.147 4.111 -23.333 1.00 0.00 C ATOM 1402 CG HIS A 88 18.800 3.261 -22.150 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.613 2.249 -21.685 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.720 3.277 -21.334 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.048 1.679 -20.636 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.898 2.285 -20.402 1.00 0.00 N ATOM 0 H HIS A 88 19.708 5.749 -21.473 1.00 0.00 H new ATOM 0 HA HIS A 88 21.295 4.113 -23.301 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.358 4.848 -23.484 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.174 3.485 -24.225 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.511 1.982 -22.088 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.875 3.946 -21.403 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.457 0.857 -20.067 1.00 0.00 H new ATOM 1414 N ASP A 89 21.656 6.718 -24.178 1.00 0.00 N ATOM 1415 CA ASP A 89 21.903 7.766 -25.161 1.00 0.00 C ATOM 1416 C ASP A 89 22.806 7.260 -26.281 1.00 0.00 C ATOM 1417 O ASP A 89 23.963 6.900 -26.064 1.00 0.00 O ATOM 1418 CB ASP A 89 22.537 8.986 -24.490 1.00 0.00 C ATOM 1419 CG ASP A 89 23.064 9.991 -25.494 1.00 0.00 C ATOM 1420 OD1 ASP A 89 22.240 10.666 -26.145 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.301 10.102 -25.630 1.00 0.00 O ATOM 0 H ASP A 89 22.333 6.687 -23.416 1.00 0.00 H new ATOM 0 HA ASP A 89 20.945 8.056 -25.594 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.799 9.469 -23.850 1.00 0.00 H new ATOM 0 HB3 ASP A 89 23.353 8.659 -23.845 1.00 0.00 H new