USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 ALA N :NH3+ 145:sc= 0.0621 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc= -0.595 (180deg=-1.46) USER MOD Single : A 10 LYS NZ :NH3+ 132:sc= 1.24 (180deg=0.167) USER MOD Single : A 37 LYS NZ :NH3+ 140:sc= -0.113 (180deg=-0.478) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00283 USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.652 F(o=-2.1!,f=0.65) USER MOD Single : A 52 HIS : no HD1:sc= -5.88! C(o=-5.9!,f=-8.5!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.425 (180deg=0.265) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 63 MET CE :methyl 161:sc= -0.144 (180deg=-0.59) USER MOD Single : B 65 LYS NZ :NH3+ -167:sc=-0.00968 (180deg=-0.149) USER MOD Single : B 67 SER OG : rot -108:sc= -2.62! USER MOD Single : B 70 LYS NZ :NH3+ 122:sc= 1.23 (180deg=0.2) USER MOD Single : B 71 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.288) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 SER OG : rot 84:sc= 0.0215 USER MOD Single : B 111 HIS :FLIP no HE2:sc= 0.192 F(o=-0.74,f=0.19) USER MOD Single : B 113 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-3.9!) USER MOD Single : B 117 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.502) USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.500 -8.547 2.251 1.00 0.00 N ATOM 2 CA ALA A 1 -33.367 -7.224 1.589 1.00 0.00 C ATOM 3 C ALA A 1 -32.014 -7.107 0.905 1.00 0.00 C ATOM 4 O ALA A 1 -31.046 -7.756 1.312 1.00 0.00 O ATOM 5 CB ALA A 1 -33.556 -6.089 2.588 1.00 0.00 C ATOM 0 H1 ALA A 1 -34.047 -8.442 3.129 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.991 -9.206 1.614 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.555 -8.920 2.474 1.00 0.00 H new ATOM 0 HA ALA A 1 -34.150 -7.144 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -33.453 -5.132 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -34.549 -6.158 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -32.801 -6.164 3.371 1.00 0.00 H new ATOM 13 N MET A 2 -31.951 -6.283 -0.135 1.00 0.00 N ATOM 14 CA MET A 2 -30.714 -6.077 -0.882 1.00 0.00 C ATOM 15 C MET A 2 -30.391 -4.588 -0.950 1.00 0.00 C ATOM 16 O MET A 2 -30.408 -3.993 -2.028 1.00 0.00 O ATOM 17 CB MET A 2 -30.842 -6.629 -2.309 1.00 0.00 C ATOM 18 CG MET A 2 -31.488 -8.003 -2.399 1.00 0.00 C ATOM 19 SD MET A 2 -30.551 -9.279 -1.538 1.00 0.00 S ATOM 20 CE MET A 2 -31.613 -10.696 -1.801 1.00 0.00 C ATOM 0 H MET A 2 -32.745 -5.745 -0.482 1.00 0.00 H new ATOM 0 HA MET A 2 -29.913 -6.607 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 2 -31.426 -5.928 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 2 -29.849 -6.678 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 2 -32.493 -7.954 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 2 -31.592 -8.282 -3.448 1.00 0.00 H new ATOM 0 HE1 MET A 2 -31.173 -11.573 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 2 -32.593 -10.502 -1.366 1.00 0.00 H new ATOM 0 HE3 MET A 2 -31.720 -10.877 -2.871 1.00 0.00 H new ATOM 30 N GLY A 3 -30.125 -3.982 0.199 1.00 0.00 N ATOM 31 CA GLY A 3 -29.837 -2.558 0.225 1.00 0.00 C ATOM 32 C GLY A 3 -28.528 -2.205 0.902 1.00 0.00 C ATOM 33 O GLY A 3 -28.396 -1.116 1.457 1.00 0.00 O ATOM 0 H GLY A 3 -30.103 -4.445 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -29.817 -2.183 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -30.649 -2.043 0.738 1.00 0.00 H new ATOM 37 N LYS A 4 -27.553 -3.102 0.854 1.00 0.00 N ATOM 38 CA LYS A 4 -26.258 -2.829 1.469 1.00 0.00 C ATOM 39 C LYS A 4 -25.464 -1.894 0.562 1.00 0.00 C ATOM 40 O LYS A 4 -25.422 -2.107 -0.648 1.00 0.00 O ATOM 41 CB LYS A 4 -25.455 -4.120 1.695 1.00 0.00 C ATOM 42 CG LYS A 4 -26.288 -5.402 1.712 1.00 0.00 C ATOM 43 CD LYS A 4 -27.199 -5.501 2.931 1.00 0.00 C ATOM 44 CE LYS A 4 -26.679 -6.499 3.964 1.00 0.00 C ATOM 45 NZ LYS A 4 -25.442 -6.027 4.648 1.00 0.00 N ATOM 0 H LYS A 4 -27.630 -4.013 0.403 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.432 -2.366 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -24.702 -4.204 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -24.922 -4.038 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -26.894 -5.448 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -25.620 -6.263 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -27.292 -4.518 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -28.198 -5.799 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.454 -6.682 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.477 -7.451 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -25.133 -6.741 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.691 -5.878 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.638 -5.132 5.141 1.00 0.00 H new ATOM 59 N CYS A 5 -24.848 -0.867 1.148 1.00 0.00 N ATOM 60 CA CYS A 5 -24.052 0.116 0.398 1.00 0.00 C ATOM 61 C CYS A 5 -24.931 1.078 -0.415 1.00 0.00 C ATOM 62 O CYS A 5 -24.461 1.686 -1.374 1.00 0.00 O ATOM 63 CB CYS A 5 -23.027 -0.568 -0.517 1.00 0.00 C ATOM 64 SG CYS A 5 -21.561 -1.236 0.345 1.00 0.00 S ATOM 0 H CYS A 5 -24.884 -0.690 2.152 1.00 0.00 H new ATOM 0 HA CYS A 5 -23.514 0.705 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -23.521 -1.381 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -22.695 0.149 -1.268 1.00 0.00 H new ATOM 69 N SER A 6 -26.188 1.229 0.009 1.00 0.00 N ATOM 70 CA SER A 6 -27.165 2.138 -0.620 1.00 0.00 C ATOM 71 C SER A 6 -27.072 2.213 -2.156 1.00 0.00 C ATOM 72 O SER A 6 -27.390 1.247 -2.849 1.00 0.00 O ATOM 73 CB SER A 6 -27.028 3.533 -0.008 1.00 0.00 C ATOM 74 OG SER A 6 -27.183 3.476 1.403 1.00 0.00 O ATOM 0 H SER A 6 -26.566 0.720 0.808 1.00 0.00 H new ATOM 0 HA SER A 6 -28.150 1.720 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.052 3.951 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.778 4.199 -0.435 1.00 0.00 H new ATOM 0 HG SER A 6 -27.091 4.376 1.779 1.00 0.00 H new ATOM 80 N VAL A 7 -26.687 3.380 -2.688 1.00 0.00 N ATOM 81 CA VAL A 7 -26.618 3.561 -4.139 1.00 0.00 C ATOM 82 C VAL A 7 -25.239 4.000 -4.644 1.00 0.00 C ATOM 83 O VAL A 7 -24.684 3.369 -5.543 1.00 0.00 O ATOM 84 CB VAL A 7 -27.691 4.562 -4.626 1.00 0.00 C ATOM 85 CG1 VAL A 7 -29.069 3.928 -4.567 1.00 0.00 C ATOM 86 CG2 VAL A 7 -27.676 5.842 -3.799 1.00 0.00 C ATOM 0 H VAL A 7 -26.423 4.201 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 7 -26.811 2.575 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 7 -27.456 4.821 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -29.814 4.644 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -29.091 3.045 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -29.293 3.639 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -28.443 6.523 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -27.876 5.603 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -26.698 6.317 -3.881 1.00 0.00 H new ATOM 96 N LEU A 8 -24.698 5.087 -4.102 1.00 0.00 N ATOM 97 CA LEU A 8 -23.397 5.584 -4.549 1.00 0.00 C ATOM 98 C LEU A 8 -22.277 4.627 -4.191 1.00 0.00 C ATOM 99 O LEU A 8 -21.441 4.295 -5.031 1.00 0.00 O ATOM 100 CB LEU A 8 -23.105 6.983 -3.986 1.00 0.00 C ATOM 101 CG LEU A 8 -23.333 7.171 -2.480 1.00 0.00 C ATOM 102 CD1 LEU A 8 -22.261 8.080 -1.907 1.00 0.00 C ATOM 103 CD2 LEU A 8 -24.712 7.763 -2.215 1.00 0.00 C ATOM 0 H LEU A 8 -25.133 5.637 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 8 -23.444 5.656 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -22.067 7.232 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -23.727 7.703 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.277 6.196 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -22.428 8.210 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -21.280 7.633 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -22.304 9.050 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -24.854 7.888 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -24.793 8.732 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -25.477 7.092 -2.606 1.00 0.00 H new ATOM 115 N LYS A 9 -22.270 4.167 -2.954 1.00 0.00 N ATOM 116 CA LYS A 9 -21.262 3.233 -2.500 1.00 0.00 C ATOM 117 C LYS A 9 -21.667 1.805 -2.875 1.00 0.00 C ATOM 118 O LYS A 9 -21.070 0.835 -2.414 1.00 0.00 O ATOM 119 CB LYS A 9 -21.070 3.385 -0.983 1.00 0.00 C ATOM 120 CG LYS A 9 -22.383 3.511 -0.221 1.00 0.00 C ATOM 121 CD LYS A 9 -22.211 3.530 1.297 1.00 0.00 C ATOM 122 CE LYS A 9 -21.858 4.915 1.833 1.00 0.00 C ATOM 123 NZ LYS A 9 -20.392 5.165 1.861 1.00 0.00 N ATOM 0 H LYS A 9 -22.955 4.427 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.311 3.447 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.519 2.524 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.458 4.265 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -22.888 4.426 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.033 2.680 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.133 3.187 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.428 2.826 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -22.340 5.673 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -22.260 5.023 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.108 5.456 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.886 4.295 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.156 5.920 1.185 1.00 0.00 H new ATOM 137 N LYS A 10 -22.689 1.689 -3.729 1.00 0.00 N ATOM 138 CA LYS A 10 -23.188 0.390 -4.174 1.00 0.00 C ATOM 139 C LYS A 10 -22.333 -0.179 -5.303 1.00 0.00 C ATOM 140 O LYS A 10 -22.705 -1.163 -5.946 1.00 0.00 O ATOM 141 CB LYS A 10 -24.666 0.499 -4.589 1.00 0.00 C ATOM 142 CG LYS A 10 -25.358 -0.832 -4.854 1.00 0.00 C ATOM 143 CD LYS A 10 -25.282 -1.739 -3.644 1.00 0.00 C ATOM 144 CE LYS A 10 -25.989 -3.066 -3.879 1.00 0.00 C ATOM 145 NZ LYS A 10 -25.940 -3.929 -2.667 1.00 0.00 N ATOM 0 H LYS A 10 -23.187 2.486 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 10 -23.119 -0.306 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -25.211 1.025 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -24.731 1.111 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -26.402 -0.657 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -24.893 -1.323 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -24.237 -1.924 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -25.730 -1.237 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -27.027 -2.883 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -25.523 -3.585 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -26.890 -4.304 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -25.283 -4.719 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -25.613 -3.368 -1.855 1.00 0.00 H new ATOM 159 N VAL A 11 -21.154 0.406 -5.508 1.00 0.00 N ATOM 160 CA VAL A 11 -20.220 -0.093 -6.515 1.00 0.00 C ATOM 161 C VAL A 11 -19.827 -1.542 -6.175 1.00 0.00 C ATOM 162 O VAL A 11 -19.228 -2.249 -6.988 1.00 0.00 O ATOM 163 CB VAL A 11 -18.945 0.787 -6.583 1.00 0.00 C ATOM 164 CG1 VAL A 11 -18.078 0.410 -7.774 1.00 0.00 C ATOM 165 CG2 VAL A 11 -19.313 2.259 -6.646 1.00 0.00 C ATOM 0 H VAL A 11 -20.824 1.222 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.712 -0.057 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.370 0.608 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.192 1.044 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.775 -0.634 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -18.645 0.548 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.405 2.859 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -19.918 2.445 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.881 2.530 -5.756 1.00 0.00 H new ATOM 175 N ALA A 12 -20.191 -1.970 -4.954 1.00 0.00 N ATOM 176 CA ALA A 12 -19.915 -3.316 -4.458 1.00 0.00 C ATOM 177 C ALA A 12 -18.422 -3.578 -4.434 1.00 0.00 C ATOM 178 O ALA A 12 -17.977 -4.710 -4.585 1.00 0.00 O ATOM 179 CB ALA A 12 -20.646 -4.360 -5.289 1.00 0.00 C ATOM 0 H ALA A 12 -20.688 -1.383 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.286 -3.389 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.425 -5.354 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.720 -4.180 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.318 -4.294 -6.326 1.00 0.00 H new ATOM 185 N CYS A 13 -17.675 -2.487 -4.243 1.00 0.00 N ATOM 186 CA CYS A 13 -16.201 -2.490 -4.177 1.00 0.00 C ATOM 187 C CYS A 13 -15.529 -2.869 -5.503 1.00 0.00 C ATOM 188 O CYS A 13 -14.414 -2.437 -5.759 1.00 0.00 O ATOM 189 CB CYS A 13 -15.683 -3.411 -3.054 1.00 0.00 C ATOM 190 SG CYS A 13 -15.257 -5.115 -3.572 1.00 0.00 S ATOM 0 H CYS A 13 -18.080 -1.558 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.926 -1.459 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.800 -2.953 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -16.441 -3.465 -2.273 1.00 0.00 H new ATOM 195 N ALA A 14 -16.185 -3.707 -6.303 1.00 0.00 N ATOM 196 CA ALA A 14 -15.645 -4.209 -7.573 1.00 0.00 C ATOM 197 C ALA A 14 -14.980 -3.160 -8.470 1.00 0.00 C ATOM 198 O ALA A 14 -13.757 -3.076 -8.511 1.00 0.00 O ATOM 199 CB ALA A 14 -16.734 -4.928 -8.354 1.00 0.00 C ATOM 0 H ALA A 14 -17.117 -4.063 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.845 -4.891 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.324 -5.297 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.109 -5.767 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.551 -4.236 -8.561 1.00 0.00 H new ATOM 205 N ALA A 15 -15.783 -2.414 -9.231 1.00 0.00 N ATOM 206 CA ALA A 15 -15.253 -1.419 -10.180 1.00 0.00 C ATOM 207 C ALA A 15 -14.223 -0.479 -9.562 1.00 0.00 C ATOM 208 O ALA A 15 -13.276 -0.061 -10.231 1.00 0.00 O ATOM 209 CB ALA A 15 -16.383 -0.599 -10.788 1.00 0.00 C ATOM 0 H ALA A 15 -16.801 -2.476 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.744 -1.991 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.969 0.129 -11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.068 -1.261 -11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.921 -0.078 -9.996 1.00 0.00 H new ATOM 215 N ALA A 16 -14.409 -0.124 -8.300 1.00 0.00 N ATOM 216 CA ALA A 16 -13.492 0.791 -7.638 1.00 0.00 C ATOM 217 C ALA A 16 -12.200 0.111 -7.182 1.00 0.00 C ATOM 218 O ALA A 16 -11.160 0.762 -7.097 1.00 0.00 O ATOM 219 CB ALA A 16 -14.179 1.465 -6.466 1.00 0.00 C ATOM 0 H ALA A 16 -15.180 -0.452 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.207 1.543 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.482 2.147 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.044 2.024 -6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.505 0.709 -5.752 1.00 0.00 H new ATOM 225 N ILE A 17 -12.254 -1.182 -6.882 1.00 0.00 N ATOM 226 CA ILE A 17 -11.061 -1.886 -6.435 1.00 0.00 C ATOM 227 C ILE A 17 -10.257 -2.398 -7.621 1.00 0.00 C ATOM 228 O ILE A 17 -9.031 -2.303 -7.650 1.00 0.00 O ATOM 229 CB ILE A 17 -11.385 -3.051 -5.463 1.00 0.00 C ATOM 230 CG1 ILE A 17 -10.112 -3.445 -4.721 1.00 0.00 C ATOM 231 CG2 ILE A 17 -12.004 -4.255 -6.144 1.00 0.00 C ATOM 232 CD1 ILE A 17 -9.731 -2.464 -3.636 1.00 0.00 C ATOM 0 H ILE A 17 -13.096 -1.755 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.461 -1.162 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.139 -2.692 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.247 -4.432 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.292 -3.525 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.203 -5.029 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.938 -3.962 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.316 -4.641 -6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.817 -2.800 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.566 -1.481 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.535 -2.402 -2.902 1.00 0.00 H new ATOM 244 N ALA A 18 -10.967 -2.946 -8.588 1.00 0.00 N ATOM 245 CA ALA A 18 -10.354 -3.495 -9.794 1.00 0.00 C ATOM 246 C ALA A 18 -9.604 -2.427 -10.586 1.00 0.00 C ATOM 247 O ALA A 18 -8.538 -2.692 -11.138 1.00 0.00 O ATOM 248 CB ALA A 18 -11.411 -4.146 -10.669 1.00 0.00 C ATOM 0 H ALA A 18 -11.984 -3.026 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.629 -4.246 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.942 -4.552 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.895 -4.951 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.156 -3.403 -10.954 1.00 0.00 H new ATOM 254 N GLY A 19 -10.162 -1.221 -10.634 1.00 0.00 N ATOM 255 CA GLY A 19 -9.527 -0.134 -11.358 1.00 0.00 C ATOM 256 C GLY A 19 -8.324 0.412 -10.622 1.00 0.00 C ATOM 257 O GLY A 19 -7.481 1.093 -11.210 1.00 0.00 O ATOM 0 H GLY A 19 -11.044 -0.977 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.220 -0.485 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.249 0.667 -11.516 1.00 0.00 H new ATOM 261 N ALA A 20 -8.239 0.112 -9.332 1.00 0.00 N ATOM 262 CA ALA A 20 -7.131 0.571 -8.513 1.00 0.00 C ATOM 263 C ALA A 20 -5.927 -0.341 -8.666 1.00 0.00 C ATOM 264 O ALA A 20 -4.787 0.077 -8.457 1.00 0.00 O ATOM 265 CB ALA A 20 -7.536 0.650 -7.053 1.00 0.00 C ATOM 0 H ALA A 20 -8.928 -0.449 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.858 1.569 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.690 0.996 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.366 1.348 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.843 -0.337 -6.707 1.00 0.00 H new ATOM 271 N VAL A 21 -6.190 -1.590 -9.026 1.00 0.00 N ATOM 272 CA VAL A 21 -5.146 -2.571 -9.209 1.00 0.00 C ATOM 273 C VAL A 21 -4.199 -2.145 -10.333 1.00 0.00 C ATOM 274 O VAL A 21 -2.976 -2.169 -10.173 1.00 0.00 O ATOM 275 CB VAL A 21 -5.755 -3.955 -9.521 1.00 0.00 C ATOM 276 CG1 VAL A 21 -4.671 -4.971 -9.819 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.637 -4.427 -8.364 1.00 0.00 C ATOM 0 H VAL A 21 -7.131 -1.944 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.576 -2.641 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.377 -3.858 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.127 -5.937 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.091 -4.642 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.014 -5.066 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.057 -5.404 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.038 -4.501 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.445 -3.713 -8.208 1.00 0.00 H new ATOM 287 N ALA A 22 -4.775 -1.743 -11.463 1.00 0.00 N ATOM 288 CA ALA A 22 -3.995 -1.302 -12.617 1.00 0.00 C ATOM 289 C ALA A 22 -3.153 -0.069 -12.291 1.00 0.00 C ATOM 290 O ALA A 22 -1.997 0.031 -12.702 1.00 0.00 O ATOM 291 CB ALA A 22 -4.921 -1.013 -13.786 1.00 0.00 C ATOM 0 H ALA A 22 -5.785 -1.713 -11.605 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.310 -2.106 -12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.333 -0.685 -14.643 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.470 -1.918 -14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.625 -0.229 -13.507 1.00 0.00 H new ATOM 297 N ALA A 23 -3.745 0.864 -11.550 1.00 0.00 N ATOM 298 CA ALA A 23 -3.061 2.097 -11.164 1.00 0.00 C ATOM 299 C ALA A 23 -1.934 1.823 -10.170 1.00 0.00 C ATOM 300 O ALA A 23 -0.938 2.547 -10.129 1.00 0.00 O ATOM 301 CB ALA A 23 -4.059 3.082 -10.574 1.00 0.00 C ATOM 0 H ALA A 23 -4.701 0.790 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.615 2.531 -12.059 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.541 3.998 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.824 3.313 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.528 2.642 -9.694 1.00 0.00 H new ATOM 307 N CYS A 24 -2.097 0.772 -9.373 1.00 0.00 N ATOM 308 CA CYS A 24 -1.093 0.397 -8.381 1.00 0.00 C ATOM 309 C CYS A 24 -0.025 -0.486 -9.018 1.00 0.00 C ATOM 310 O CYS A 24 0.988 -0.801 -8.396 1.00 0.00 O ATOM 311 CB CYS A 24 -1.750 -0.335 -7.204 1.00 0.00 C ATOM 312 SG CYS A 24 -0.726 -0.399 -5.694 1.00 0.00 S ATOM 0 H CYS A 24 -2.915 0.164 -9.394 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.621 1.305 -8.007 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.695 0.155 -6.968 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.987 -1.353 -7.511 1.00 0.00 H new ATOM 317 N GLY A 25 -0.258 -0.876 -10.270 1.00 0.00 N ATOM 318 CA GLY A 25 0.692 -1.712 -10.982 1.00 0.00 C ATOM 319 C GLY A 25 0.660 -3.150 -10.517 1.00 0.00 C ATOM 320 O GLY A 25 1.640 -3.881 -10.659 1.00 0.00 O ATOM 0 H GLY A 25 -1.090 -0.626 -10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.476 -1.674 -12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.697 -1.312 -10.846 1.00 0.00 H new ATOM 324 N GLY A 26 -0.465 -3.555 -9.959 1.00 0.00 N ATOM 325 CA GLY A 26 -0.610 -4.905 -9.468 1.00 0.00 C ATOM 326 C GLY A 26 -1.491 -4.943 -8.247 1.00 0.00 C ATOM 327 O GLY A 26 -1.934 -3.894 -7.770 1.00 0.00 O ATOM 0 H GLY A 26 -1.289 -2.966 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.036 -5.536 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.371 -5.315 -9.226 1.00 0.00 H new ATOM 331 N ILE A 27 -1.758 -6.132 -7.731 1.00 0.00 N ATOM 332 CA ILE A 27 -2.599 -6.248 -6.556 1.00 0.00 C ATOM 333 C ILE A 27 -1.806 -5.932 -5.297 1.00 0.00 C ATOM 334 O ILE A 27 -0.587 -6.119 -5.237 1.00 0.00 O ATOM 335 CB ILE A 27 -3.265 -7.637 -6.435 1.00 0.00 C ATOM 336 CG1 ILE A 27 -4.331 -7.595 -5.326 1.00 0.00 C ATOM 337 CG2 ILE A 27 -2.220 -8.728 -6.186 1.00 0.00 C ATOM 338 CD1 ILE A 27 -4.359 -8.808 -4.432 1.00 0.00 C ATOM 0 H ILE A 27 -1.410 -7.016 -8.102 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.400 -5.518 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.757 -7.887 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.161 -6.711 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.311 -7.478 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.716 -9.695 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.513 -8.751 -7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.686 -8.515 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.141 -8.689 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.562 -9.696 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.394 -8.917 -3.937 1.00 0.00 H new ATOM 350 N ASP A 28 -2.513 -5.431 -4.303 1.00 0.00 N ATOM 351 CA ASP A 28 -1.912 -5.055 -3.044 1.00 0.00 C ATOM 352 C ASP A 28 -2.990 -5.020 -1.960 1.00 0.00 C ATOM 353 O ASP A 28 -3.699 -6.000 -1.740 1.00 0.00 O ATOM 354 CB ASP A 28 -1.262 -3.671 -3.208 1.00 0.00 C ATOM 355 CG ASP A 28 -0.434 -3.246 -2.023 1.00 0.00 C ATOM 356 OD1 ASP A 28 0.011 -4.120 -1.259 1.00 0.00 O ATOM 357 OD2 ASP A 28 -0.239 -2.028 -1.859 1.00 0.00 O ATOM 0 H ASP A 28 -3.520 -5.274 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.151 -5.778 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.631 -3.679 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.043 -2.930 -3.378 1.00 0.00 H new ATOM 362 N LEU A 29 -3.108 -3.862 -1.332 1.00 0.00 N ATOM 363 CA LEU A 29 -4.084 -3.577 -0.286 1.00 0.00 C ATOM 364 C LEU A 29 -3.804 -2.191 0.287 1.00 0.00 C ATOM 365 O LEU A 29 -4.632 -1.313 0.152 1.00 0.00 O ATOM 366 CB LEU A 29 -4.112 -4.633 0.833 1.00 0.00 C ATOM 367 CG LEU A 29 -5.024 -4.290 2.018 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.425 -3.926 1.534 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.080 -5.454 2.990 1.00 0.00 C ATOM 0 H LEU A 29 -2.507 -3.065 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.073 -3.609 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.434 -5.584 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.097 -4.777 1.203 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.609 -3.424 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.055 -3.686 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.368 -3.062 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.854 -4.770 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.730 -5.198 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.472 -6.334 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.077 -5.666 3.361 1.00 0.00 H new ATOM 381 N PRO A 30 -2.629 -1.945 0.916 1.00 0.00 N ATOM 382 CA PRO A 30 -2.309 -0.619 1.463 1.00 0.00 C ATOM 383 C PRO A 30 -2.425 0.481 0.411 1.00 0.00 C ATOM 384 O PRO A 30 -2.861 1.594 0.702 1.00 0.00 O ATOM 385 CB PRO A 30 -0.857 -0.743 1.940 1.00 0.00 C ATOM 386 CG PRO A 30 -0.341 -2.019 1.365 1.00 0.00 C ATOM 387 CD PRO A 30 -1.531 -2.902 1.137 1.00 0.00 C ATOM 0 HA PRO A 30 -3.001 -0.341 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.262 0.106 1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.804 -0.756 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.189 -1.836 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.367 -2.492 2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.388 -3.555 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.725 -3.545 1.996 1.00 0.00 H new ATOM 395 N CYS A 31 -2.029 0.154 -0.811 1.00 0.00 N ATOM 396 CA CYS A 31 -2.080 1.095 -1.916 1.00 0.00 C ATOM 397 C CYS A 31 -3.441 1.071 -2.616 1.00 0.00 C ATOM 398 O CYS A 31 -3.990 2.118 -2.954 1.00 0.00 O ATOM 399 CB CYS A 31 -0.949 0.782 -2.907 1.00 0.00 C ATOM 400 SG CYS A 31 -1.286 1.247 -4.640 1.00 0.00 S ATOM 0 H CYS A 31 -1.666 -0.766 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.943 2.101 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.046 1.297 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.739 -0.287 -2.868 1.00 0.00 H new ATOM 405 N VAL A 32 -3.975 -0.126 -2.845 1.00 0.00 N ATOM 406 CA VAL A 32 -5.249 -0.290 -3.520 1.00 0.00 C ATOM 407 C VAL A 32 -6.432 0.181 -2.657 1.00 0.00 C ATOM 408 O VAL A 32 -7.410 0.718 -3.179 1.00 0.00 O ATOM 409 CB VAL A 32 -5.439 -1.767 -3.923 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.592 -1.915 -4.879 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.170 -2.320 -4.549 1.00 0.00 C ATOM 0 H VAL A 32 -3.535 -1.003 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.232 0.337 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.660 -2.336 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.708 -2.964 -5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.506 -1.560 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.398 -1.328 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.325 -3.363 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.921 -1.741 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.352 -2.253 -3.832 1.00 0.00 H new ATOM 421 N LEU A 33 -6.336 -0.015 -1.343 1.00 0.00 N ATOM 422 CA LEU A 33 -7.394 0.393 -0.411 1.00 0.00 C ATOM 423 C LEU A 33 -7.614 1.903 -0.488 1.00 0.00 C ATOM 424 O LEU A 33 -8.735 2.389 -0.353 1.00 0.00 O ATOM 425 CB LEU A 33 -7.011 0.005 1.022 1.00 0.00 C ATOM 426 CG LEU A 33 -8.167 -0.240 2.002 1.00 0.00 C ATOM 427 CD1 LEU A 33 -8.866 1.053 2.382 1.00 0.00 C ATOM 428 CD2 LEU A 33 -9.164 -1.230 1.415 1.00 0.00 C ATOM 0 H LEU A 33 -5.533 -0.456 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.316 -0.117 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.404 -0.899 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.380 0.794 1.431 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.741 -0.664 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.678 0.837 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.152 1.727 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.271 1.525 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.976 -1.392 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.568 -0.831 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.662 -2.177 1.216 1.00 0.00 H new ATOM 440 N ALA A 34 -6.519 2.630 -0.695 1.00 0.00 N ATOM 441 CA ALA A 34 -6.543 4.093 -0.788 1.00 0.00 C ATOM 442 C ALA A 34 -7.527 4.595 -1.844 1.00 0.00 C ATOM 443 O ALA A 34 -8.108 5.667 -1.694 1.00 0.00 O ATOM 444 CB ALA A 34 -5.149 4.627 -1.084 1.00 0.00 C ATOM 0 H ALA A 34 -5.589 2.225 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.882 4.467 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.182 5.714 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.469 4.333 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.795 4.217 -2.030 1.00 0.00 H new ATOM 450 N ALA A 35 -7.721 3.823 -2.907 1.00 0.00 N ATOM 451 CA ALA A 35 -8.648 4.218 -3.965 1.00 0.00 C ATOM 452 C ALA A 35 -10.091 4.086 -3.498 1.00 0.00 C ATOM 453 O ALA A 35 -10.983 4.770 -4.003 1.00 0.00 O ATOM 454 CB ALA A 35 -8.418 3.390 -5.216 1.00 0.00 C ATOM 0 H ALA A 35 -7.255 2.929 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.460 5.265 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.118 3.700 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.397 3.539 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.573 2.335 -4.988 1.00 0.00 H new ATOM 460 N LEU A 36 -10.305 3.213 -2.523 1.00 0.00 N ATOM 461 CA LEU A 36 -11.630 2.986 -1.962 1.00 0.00 C ATOM 462 C LEU A 36 -11.890 3.869 -0.757 1.00 0.00 C ATOM 463 O LEU A 36 -12.882 3.677 -0.047 1.00 0.00 O ATOM 464 CB LEU A 36 -11.791 1.539 -1.526 1.00 0.00 C ATOM 465 CG LEU A 36 -12.312 0.581 -2.585 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.477 -0.787 -1.971 1.00 0.00 C ATOM 467 CD2 LEU A 36 -13.633 1.072 -3.149 1.00 0.00 C ATOM 0 H LEU A 36 -9.570 2.645 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.344 3.228 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.824 1.175 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.468 1.510 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.597 0.528 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.851 -1.481 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.514 -1.138 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.186 -0.732 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.988 0.372 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.367 1.143 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.493 2.054 -3.601 1.00 0.00 H new ATOM 479 N LYS A 37 -11.004 4.821 -0.513 1.00 0.00 N ATOM 480 CA LYS A 37 -11.162 5.707 0.622 1.00 0.00 C ATOM 481 C LYS A 37 -12.360 6.636 0.424 1.00 0.00 C ATOM 482 O LYS A 37 -13.106 6.494 -0.550 1.00 0.00 O ATOM 483 CB LYS A 37 -9.891 6.529 0.848 1.00 0.00 C ATOM 484 CG LYS A 37 -8.740 5.750 1.483 1.00 0.00 C ATOM 485 CD LYS A 37 -8.774 5.834 3.004 1.00 0.00 C ATOM 486 CE LYS A 37 -7.545 5.190 3.639 1.00 0.00 C ATOM 487 NZ LYS A 37 -6.275 5.780 3.131 1.00 0.00 N ATOM 0 H LYS A 37 -10.176 4.997 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.342 5.093 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.558 6.930 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.132 7.381 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.794 4.706 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.791 6.142 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.834 6.879 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.673 5.342 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.592 5.310 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.553 4.119 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.601 5.882 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.868 5.156 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.468 6.714 2.716 1.00 0.00 H new ATOM 501 N ALA A 38 -12.542 7.568 1.370 1.00 0.00 N ATOM 502 CA ALA A 38 -13.655 8.532 1.363 1.00 0.00 C ATOM 503 C ALA A 38 -14.947 7.853 1.809 1.00 0.00 C ATOM 504 O ALA A 38 -15.703 8.398 2.612 1.00 0.00 O ATOM 505 CB ALA A 38 -13.834 9.197 0.001 1.00 0.00 C ATOM 0 H ALA A 38 -11.917 7.676 2.169 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.407 9.322 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.666 9.899 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.922 9.731 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.041 8.436 -0.751 1.00 0.00 H new ATOM 511 N ALA A 39 -15.167 6.645 1.303 1.00 0.00 N ATOM 512 CA ALA A 39 -16.331 5.843 1.650 1.00 0.00 C ATOM 513 C ALA A 39 -15.866 4.437 2.011 1.00 0.00 C ATOM 514 O ALA A 39 -16.170 3.468 1.314 1.00 0.00 O ATOM 515 CB ALA A 39 -17.318 5.798 0.494 1.00 0.00 C ATOM 0 H ALA A 39 -14.539 6.194 0.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.841 6.292 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.180 5.193 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.646 6.810 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.836 5.358 -0.379 1.00 0.00 H new ATOM 521 N GLU A 40 -15.091 4.352 3.086 1.00 0.00 N ATOM 522 CA GLU A 40 -14.510 3.096 3.561 1.00 0.00 C ATOM 523 C GLU A 40 -15.562 2.070 3.997 1.00 0.00 C ATOM 524 O GLU A 40 -15.227 0.919 4.277 1.00 0.00 O ATOM 525 CB GLU A 40 -13.564 3.381 4.734 1.00 0.00 C ATOM 526 CG GLU A 40 -12.529 4.467 4.455 1.00 0.00 C ATOM 527 CD GLU A 40 -12.953 5.837 4.951 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.984 6.356 4.482 1.00 0.00 O ATOM 529 OE2 GLU A 40 -12.257 6.396 5.821 1.00 0.00 O ATOM 0 H GLU A 40 -14.844 5.159 3.659 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.969 2.661 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.157 3.674 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.045 2.460 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.586 4.192 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.344 4.517 3.382 1.00 0.00 H new ATOM 536 N GLY A 41 -16.820 2.485 4.067 1.00 0.00 N ATOM 537 CA GLY A 41 -17.885 1.584 4.484 1.00 0.00 C ATOM 538 C GLY A 41 -18.027 0.359 3.599 1.00 0.00 C ATOM 539 O GLY A 41 -18.391 -0.714 4.074 1.00 0.00 O ATOM 0 H GLY A 41 -17.126 3.432 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.697 1.262 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.829 2.129 4.490 1.00 0.00 H new ATOM 543 N CYS A 42 -17.742 0.506 2.312 1.00 0.00 N ATOM 544 CA CYS A 42 -17.853 -0.615 1.387 1.00 0.00 C ATOM 545 C CYS A 42 -16.478 -1.121 0.961 1.00 0.00 C ATOM 546 O CYS A 42 -16.326 -1.726 -0.105 1.00 0.00 O ATOM 547 CB CYS A 42 -18.677 -0.211 0.165 1.00 0.00 C ATOM 548 SG CYS A 42 -20.355 0.385 0.577 1.00 0.00 S ATOM 0 H CYS A 42 -17.435 1.381 1.887 1.00 0.00 H new ATOM 0 HA CYS A 42 -18.362 -1.430 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -18.146 0.571 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -18.759 -1.066 -0.506 1.00 0.00 H new ATOM 553 N ALA A 43 -15.479 -0.882 1.804 1.00 0.00 N ATOM 554 CA ALA A 43 -14.119 -1.324 1.521 1.00 0.00 C ATOM 555 C ALA A 43 -13.892 -2.731 2.058 1.00 0.00 C ATOM 556 O ALA A 43 -12.976 -3.431 1.621 1.00 0.00 O ATOM 557 CB ALA A 43 -13.107 -0.357 2.121 1.00 0.00 C ATOM 0 H ALA A 43 -15.586 -0.385 2.688 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.982 -1.340 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.097 -0.703 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.253 0.635 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.245 -0.309 3.201 1.00 0.00 H new ATOM 563 N SER A 44 -14.741 -3.139 3.000 1.00 0.00 N ATOM 564 CA SER A 44 -14.663 -4.465 3.611 1.00 0.00 C ATOM 565 C SER A 44 -14.732 -5.568 2.556 1.00 0.00 C ATOM 566 O SER A 44 -14.105 -6.616 2.700 1.00 0.00 O ATOM 567 CB SER A 44 -15.794 -4.631 4.624 1.00 0.00 C ATOM 568 OG SER A 44 -17.026 -4.156 4.099 1.00 0.00 O ATOM 0 H SER A 44 -15.500 -2.561 3.360 1.00 0.00 H new ATOM 0 HA SER A 44 -13.703 -4.552 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.892 -5.682 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.551 -4.088 5.537 1.00 0.00 H new ATOM 0 HG SER A 44 -17.734 -4.275 4.766 1.00 0.00 H new ATOM 574 N CYS A 45 -15.492 -5.300 1.498 1.00 0.00 N ATOM 575 CA CYS A 45 -15.670 -6.228 0.381 1.00 0.00 C ATOM 576 C CYS A 45 -14.335 -6.788 -0.106 1.00 0.00 C ATOM 577 O CYS A 45 -14.190 -7.992 -0.325 1.00 0.00 O ATOM 578 CB CYS A 45 -16.382 -5.490 -0.759 1.00 0.00 C ATOM 579 SG CYS A 45 -16.355 -6.340 -2.370 1.00 0.00 S ATOM 0 H CYS A 45 -16.007 -4.426 1.389 1.00 0.00 H new ATOM 0 HA CYS A 45 -16.270 -7.073 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.420 -5.325 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.924 -4.508 -0.877 1.00 0.00 H new ATOM 584 N PHE A 46 -13.366 -5.903 -0.278 1.00 0.00 N ATOM 585 CA PHE A 46 -12.045 -6.283 -0.749 1.00 0.00 C ATOM 586 C PHE A 46 -11.243 -7.058 0.299 1.00 0.00 C ATOM 587 O PHE A 46 -10.673 -8.103 -0.002 1.00 0.00 O ATOM 588 CB PHE A 46 -11.278 -5.025 -1.148 1.00 0.00 C ATOM 589 CG PHE A 46 -9.874 -5.280 -1.606 1.00 0.00 C ATOM 590 CD1 PHE A 46 -9.624 -5.950 -2.790 1.00 0.00 C ATOM 591 CD2 PHE A 46 -8.803 -4.835 -0.855 1.00 0.00 C ATOM 592 CE1 PHE A 46 -8.334 -6.165 -3.216 1.00 0.00 C ATOM 593 CE2 PHE A 46 -7.509 -5.052 -1.276 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.271 -5.718 -2.453 1.00 0.00 C ATOM 0 H PHE A 46 -13.473 -4.905 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.179 -6.946 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.822 -4.519 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.253 -4.344 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.450 -6.308 -3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.982 -4.311 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.151 -6.683 -4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.681 -4.698 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.257 -5.892 -2.782 1.00 0.00 H new ATOM 604 N CYS A 47 -11.158 -6.522 1.512 1.00 0.00 N ATOM 605 CA CYS A 47 -10.364 -7.152 2.571 1.00 0.00 C ATOM 606 C CYS A 47 -11.095 -8.206 3.382 1.00 0.00 C ATOM 607 O CYS A 47 -10.726 -8.415 4.532 1.00 0.00 O ATOM 608 CB CYS A 47 -9.864 -6.107 3.559 1.00 0.00 C ATOM 609 SG CYS A 47 -10.602 -4.459 3.368 1.00 0.00 S ATOM 0 H CYS A 47 -11.624 -5.658 1.789 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.553 -7.644 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.060 -6.462 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.782 -6.019 3.456 1.00 0.00 H new ATOM 614 N GLU A 48 -12.100 -8.870 2.831 1.00 0.00 N ATOM 615 CA GLU A 48 -12.818 -9.886 3.599 1.00 0.00 C ATOM 616 C GLU A 48 -11.839 -10.906 4.184 1.00 0.00 C ATOM 617 O GLU A 48 -11.818 -11.137 5.393 1.00 0.00 O ATOM 618 CB GLU A 48 -13.858 -10.595 2.731 1.00 0.00 C ATOM 619 CG GLU A 48 -14.777 -11.525 3.510 1.00 0.00 C ATOM 620 CD GLU A 48 -15.709 -10.781 4.436 1.00 0.00 C ATOM 621 OE1 GLU A 48 -16.575 -10.042 3.930 1.00 0.00 O ATOM 622 OE2 GLU A 48 -15.576 -10.925 5.664 1.00 0.00 O ATOM 0 H GLU A 48 -12.434 -8.732 1.877 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.337 -9.385 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.463 -9.846 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.344 -11.169 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.365 -12.119 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.174 -12.222 4.091 1.00 0.00 H new ATOM 629 N ASP A 49 -11.010 -11.488 3.324 1.00 0.00 N ATOM 630 CA ASP A 49 -10.009 -12.454 3.763 1.00 0.00 C ATOM 631 C ASP A 49 -8.632 -11.799 3.780 1.00 0.00 C ATOM 632 O ASP A 49 -7.603 -12.475 3.748 1.00 0.00 O ATOM 633 CB ASP A 49 -9.997 -13.692 2.852 1.00 0.00 C ATOM 634 CG ASP A 49 -9.593 -13.388 1.422 1.00 0.00 C ATOM 635 OD1 ASP A 49 -10.292 -12.594 0.757 1.00 0.00 O ATOM 636 OD2 ASP A 49 -8.589 -13.962 0.951 1.00 0.00 O ATOM 0 H ASP A 49 -11.011 -11.308 2.320 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.265 -12.781 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.311 -14.431 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.989 -14.143 2.853 1.00 0.00 H new ATOM 641 N HIS A 50 -8.625 -10.470 3.822 1.00 0.00 N ATOM 642 CA HIS A 50 -7.381 -9.707 3.828 1.00 0.00 C ATOM 643 C HIS A 50 -7.332 -8.736 5.006 1.00 0.00 C ATOM 644 O HIS A 50 -7.251 -7.518 4.815 1.00 0.00 O ATOM 645 CB HIS A 50 -7.232 -8.922 2.518 1.00 0.00 C ATOM 646 CG HIS A 50 -7.332 -9.765 1.285 1.00 0.00 C ATOM 647 ND1 HIS A 50 -8.309 -9.854 0.353 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -6.359 -10.658 0.900 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 -7.912 -10.790 -0.571 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -6.729 -11.259 -0.216 1.00 0.00 N flip ATOM 0 H HIS A 50 -9.469 -9.898 3.852 1.00 0.00 H new ATOM 0 HA HIS A 50 -6.559 -10.416 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.000 -8.150 2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.268 -8.413 2.520 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.180 -9.324 0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.435 -10.840 1.429 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.474 -11.092 -1.443 1.00 0.00 H new ATOM 658 N CYS A 51 -7.360 -9.262 6.223 1.00 0.00 N ATOM 659 CA CYS A 51 -7.293 -8.417 7.411 1.00 0.00 C ATOM 660 C CYS A 51 -5.848 -8.269 7.855 1.00 0.00 C ATOM 661 O CYS A 51 -5.508 -8.466 9.020 1.00 0.00 O ATOM 662 CB CYS A 51 -8.143 -8.992 8.542 1.00 0.00 C ATOM 663 SG CYS A 51 -9.934 -8.807 8.278 1.00 0.00 S ATOM 0 H CYS A 51 -7.428 -10.262 6.415 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.693 -7.434 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.909 -10.050 8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.870 -8.501 9.476 1.00 0.00 H new ATOM 668 N HIS A 52 -4.999 -7.932 6.902 1.00 0.00 N ATOM 669 CA HIS A 52 -3.584 -7.768 7.147 1.00 0.00 C ATOM 670 C HIS A 52 -3.107 -6.462 6.525 1.00 0.00 C ATOM 671 O HIS A 52 -2.780 -6.411 5.343 1.00 0.00 O ATOM 672 CB HIS A 52 -2.848 -8.983 6.557 1.00 0.00 C ATOM 673 CG HIS A 52 -1.357 -9.026 6.736 1.00 0.00 C ATOM 674 ND1 HIS A 52 -0.484 -8.247 6.009 1.00 0.00 N ATOM 675 CD2 HIS A 52 -0.583 -9.837 7.497 1.00 0.00 C ATOM 676 CE1 HIS A 52 0.756 -8.586 6.300 1.00 0.00 C ATOM 677 NE2 HIS A 52 0.729 -9.553 7.201 1.00 0.00 N ATOM 0 H HIS A 52 -5.275 -7.765 5.935 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.376 -7.717 8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.269 -9.884 7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.063 -9.024 5.489 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.933 -10.572 8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.646 -8.147 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.544 -10.011 7.608 1.00 0.00 H new ATOM 685 N GLY A 53 -3.079 -5.396 7.315 1.00 0.00 N ATOM 686 CA GLY A 53 -2.632 -4.129 6.784 1.00 0.00 C ATOM 687 C GLY A 53 -3.547 -2.957 7.078 1.00 0.00 C ATOM 688 O GLY A 53 -4.136 -2.858 8.155 1.00 0.00 O ATOM 0 H GLY A 53 -3.353 -5.387 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.644 -3.910 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.521 -4.223 5.704 1.00 0.00 H new ATOM 692 N VAL A 54 -3.617 -2.050 6.109 1.00 0.00 N ATOM 693 CA VAL A 54 -4.397 -0.816 6.210 1.00 0.00 C ATOM 694 C VAL A 54 -5.903 -1.027 6.424 1.00 0.00 C ATOM 695 O VAL A 54 -6.576 -0.146 6.960 1.00 0.00 O ATOM 696 CB VAL A 54 -4.187 0.047 4.945 1.00 0.00 C ATOM 697 CG1 VAL A 54 -2.705 0.283 4.695 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.824 -0.604 3.729 1.00 0.00 C ATOM 0 H VAL A 54 -3.128 -2.150 5.219 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.025 -0.312 7.102 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.671 1.009 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.580 0.892 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.270 0.800 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.203 -0.674 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.661 0.024 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.374 -1.583 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.894 -0.721 3.898 1.00 0.00 H new ATOM 708 N CYS A 55 -6.449 -2.159 5.992 1.00 0.00 N ATOM 709 CA CYS A 55 -7.887 -2.385 6.147 1.00 0.00 C ATOM 710 C CYS A 55 -8.250 -2.761 7.577 1.00 0.00 C ATOM 711 O CYS A 55 -9.224 -2.249 8.128 1.00 0.00 O ATOM 712 CB CYS A 55 -8.392 -3.453 5.186 1.00 0.00 C ATOM 713 SG CYS A 55 -10.209 -3.589 5.155 1.00 0.00 S ATOM 0 H CYS A 55 -5.936 -2.918 5.543 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.377 -1.442 5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.034 -3.228 4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.967 -4.416 5.467 1.00 0.00 H new ATOM 718 N LYS A 56 -7.469 -3.649 8.183 1.00 0.00 N ATOM 719 CA LYS A 56 -7.735 -4.063 9.559 1.00 0.00 C ATOM 720 C LYS A 56 -7.353 -2.944 10.526 1.00 0.00 C ATOM 721 O LYS A 56 -7.730 -2.966 11.697 1.00 0.00 O ATOM 722 CB LYS A 56 -6.998 -5.371 9.900 1.00 0.00 C ATOM 723 CG LYS A 56 -5.478 -5.281 9.868 1.00 0.00 C ATOM 724 CD LYS A 56 -4.907 -4.994 11.247 1.00 0.00 C ATOM 725 CE LYS A 56 -4.039 -6.144 11.750 1.00 0.00 C ATOM 726 NZ LYS A 56 -4.766 -7.448 11.782 1.00 0.00 N ATOM 0 H LYS A 56 -6.657 -4.092 7.752 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.803 -4.258 9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.307 -5.696 10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.316 -6.143 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.065 -6.216 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.174 -4.495 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.315 -4.080 11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.722 -4.819 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.162 -6.238 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.679 -5.910 12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.223 -8.135 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.703 -7.313 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.879 -7.806 10.812 1.00 0.00 H new ATOM 740 N ASP A 57 -6.617 -1.958 10.014 1.00 0.00 N ATOM 741 CA ASP A 57 -6.191 -0.812 10.810 1.00 0.00 C ATOM 742 C ASP A 57 -7.402 0.030 11.202 1.00 0.00 C ATOM 743 O ASP A 57 -7.512 0.503 12.333 1.00 0.00 O ATOM 744 CB ASP A 57 -5.204 0.045 10.014 1.00 0.00 C ATOM 745 CG ASP A 57 -4.468 1.040 10.880 1.00 0.00 C ATOM 746 OD1 ASP A 57 -4.485 0.881 12.117 1.00 0.00 O ATOM 747 OD2 ASP A 57 -3.852 1.968 10.323 1.00 0.00 O ATOM 0 H ASP A 57 -6.303 -1.932 9.044 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.700 -1.176 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.482 -0.604 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.742 0.579 9.231 1.00 0.00 H new ATOM 752 N LEU A 58 -8.319 0.195 10.254 1.00 0.00 N ATOM 753 CA LEU A 58 -9.539 0.960 10.491 1.00 0.00 C ATOM 754 C LEU A 58 -10.670 0.039 10.928 1.00 0.00 C ATOM 755 O LEU A 58 -11.801 0.486 11.122 1.00 0.00 O ATOM 756 CB LEU A 58 -9.957 1.713 9.227 1.00 0.00 C ATOM 757 CG LEU A 58 -8.971 2.774 8.733 1.00 0.00 C ATOM 758 CD1 LEU A 58 -9.446 3.362 7.416 1.00 0.00 C ATOM 759 CD2 LEU A 58 -8.804 3.875 9.769 1.00 0.00 C ATOM 0 H LEU A 58 -8.241 -0.191 9.313 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.335 1.680 11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.113 0.988 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.917 2.194 9.413 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.003 2.297 8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.735 4.115 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.520 2.571 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.424 3.823 7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.099 4.619 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.768 4.349 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.425 3.447 10.697 1.00 0.00 H new ATOM 771 N HIS A 59 -10.349 -1.250 11.070 1.00 0.00 N ATOM 772 CA HIS A 59 -11.319 -2.269 11.478 1.00 0.00 C ATOM 773 C HIS A 59 -12.484 -2.328 10.492 1.00 0.00 C ATOM 774 O HIS A 59 -13.649 -2.201 10.875 1.00 0.00 O ATOM 775 CB HIS A 59 -11.830 -1.983 12.895 1.00 0.00 C ATOM 776 CG HIS A 59 -11.950 -3.203 13.754 1.00 0.00 C ATOM 777 ND1 HIS A 59 -12.756 -4.276 13.439 1.00 0.00 N ATOM 778 CD2 HIS A 59 -11.360 -3.515 14.934 1.00 0.00 C ATOM 779 CE1 HIS A 59 -12.659 -5.194 14.386 1.00 0.00 C ATOM 780 NE2 HIS A 59 -11.816 -4.757 15.306 1.00 0.00 N ATOM 0 H HIS A 59 -9.411 -1.616 10.906 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.820 -3.238 11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.156 -1.275 13.378 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.805 -1.500 12.829 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.660 -2.901 15.481 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.180 -6.140 14.405 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.548 -5.259 16.153 1.00 0.00 H new ATOM 788 N LEU A 60 -12.158 -2.503 9.214 1.00 0.00 N ATOM 789 CA LEU A 60 -13.169 -2.559 8.167 1.00 0.00 C ATOM 790 C LEU A 60 -13.578 -3.996 7.852 1.00 0.00 C ATOM 791 O LEU A 60 -14.759 -4.272 7.631 1.00 0.00 O ATOM 792 CB LEU A 60 -12.659 -1.870 6.900 1.00 0.00 C ATOM 793 CG LEU A 60 -12.306 -0.389 7.064 1.00 0.00 C ATOM 794 CD1 LEU A 60 -11.685 0.155 5.788 1.00 0.00 C ATOM 795 CD2 LEU A 60 -13.540 0.418 7.439 1.00 0.00 C ATOM 0 H LEU A 60 -11.200 -2.608 8.880 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.051 -2.034 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.775 -2.401 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.418 -1.963 6.124 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.578 -0.298 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.441 1.209 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.776 -0.402 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.392 0.049 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.268 1.468 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.291 0.319 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.946 0.046 8.380 1.00 0.00 H new ATOM 807 N CYS A 61 -12.609 -4.908 7.830 1.00 0.00 N ATOM 808 CA CYS A 61 -12.898 -6.311 7.544 1.00 0.00 C ATOM 809 C CYS A 61 -13.111 -7.082 8.841 1.00 0.00 C ATOM 810 O CYS A 61 -12.774 -6.541 9.911 1.00 0.00 O ATOM 811 CB CYS A 61 -11.769 -6.968 6.737 1.00 0.00 C ATOM 812 SG CYS A 61 -10.137 -6.921 7.548 1.00 0.00 S ATOM 813 OXT CYS A 61 -13.612 -8.221 8.783 1.00 0.00 O ATOM 0 H CYS A 61 -11.625 -4.704 8.005 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.809 -6.342 6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.035 -8.007 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.695 -6.472 5.769 1.00 0.00 H new TER 818 CYS A 61 ATOM 819 N ALA B 62 34.473 0.431 2.421 1.00 0.00 N ATOM 820 CA ALA B 62 33.316 -0.378 1.963 1.00 0.00 C ATOM 821 C ALA B 62 33.146 -1.609 2.842 1.00 0.00 C ATOM 822 O ALA B 62 34.008 -2.488 2.863 1.00 0.00 O ATOM 823 CB ALA B 62 33.499 -0.800 0.513 1.00 0.00 C ATOM 0 HA ALA B 62 32.420 0.237 2.039 1.00 0.00 H new ATOM 0 HB1 ALA B 62 32.641 -1.392 0.195 1.00 0.00 H new ATOM 0 HB2 ALA B 62 33.581 0.086 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA B 62 34.406 -1.397 0.420 1.00 0.00 H new ATOM 831 N MET B 63 32.036 -1.664 3.568 1.00 0.00 N ATOM 832 CA MET B 63 31.758 -2.788 4.457 1.00 0.00 C ATOM 833 C MET B 63 30.329 -3.309 4.283 1.00 0.00 C ATOM 834 O MET B 63 30.035 -4.452 4.630 1.00 0.00 O ATOM 835 CB MET B 63 31.987 -2.377 5.911 1.00 0.00 C ATOM 836 CG MET B 63 31.303 -1.072 6.288 1.00 0.00 C ATOM 837 SD MET B 63 31.526 -0.641 8.024 1.00 0.00 S ATOM 838 CE MET B 63 33.312 -0.559 8.143 1.00 0.00 C ATOM 0 H MET B 63 31.313 -0.944 3.559 1.00 0.00 H new ATOM 0 HA MET B 63 32.442 -3.594 4.193 1.00 0.00 H new ATOM 0 HB2 MET B 63 31.625 -3.170 6.566 1.00 0.00 H new ATOM 0 HB3 MET B 63 33.058 -2.281 6.089 1.00 0.00 H new ATOM 0 HG2 MET B 63 31.696 -0.268 5.666 1.00 0.00 H new ATOM 0 HG3 MET B 63 30.237 -1.150 6.072 1.00 0.00 H new ATOM 0 HE1 MET B 63 33.592 0.010 9.029 1.00 0.00 H new ATOM 0 HE2 MET B 63 33.718 -1.568 8.216 1.00 0.00 H new ATOM 0 HE3 MET B 63 33.714 -0.070 7.256 1.00 0.00 H new ATOM 848 N GLY B 64 29.442 -2.472 3.758 1.00 0.00 N ATOM 849 CA GLY B 64 28.064 -2.888 3.565 1.00 0.00 C ATOM 850 C GLY B 64 27.311 -1.972 2.635 1.00 0.00 C ATOM 851 O GLY B 64 27.914 -1.218 1.870 1.00 0.00 O ATOM 0 H GLY B 64 29.650 -1.518 3.464 1.00 0.00 H new ATOM 0 HA2 GLY B 64 28.046 -3.902 3.165 1.00 0.00 H new ATOM 0 HA3 GLY B 64 27.558 -2.917 4.530 1.00 0.00 H new ATOM 855 N LYS B 65 25.986 -2.037 2.689 1.00 0.00 N ATOM 856 CA LYS B 65 25.160 -1.202 1.833 1.00 0.00 C ATOM 857 C LYS B 65 24.337 -0.215 2.652 1.00 0.00 C ATOM 858 O LYS B 65 24.370 0.987 2.395 1.00 0.00 O ATOM 859 CB LYS B 65 24.229 -2.056 0.959 1.00 0.00 C ATOM 860 CG LYS B 65 24.962 -3.014 0.026 1.00 0.00 C ATOM 861 CD LYS B 65 25.818 -2.268 -0.991 1.00 0.00 C ATOM 862 CE LYS B 65 24.974 -1.542 -2.031 1.00 0.00 C ATOM 863 NZ LYS B 65 24.229 -2.483 -2.913 1.00 0.00 N ATOM 0 H LYS B 65 25.466 -2.655 3.312 1.00 0.00 H new ATOM 0 HA LYS B 65 25.832 -0.640 1.184 1.00 0.00 H new ATOM 0 HB2 LYS B 65 23.566 -2.631 1.606 1.00 0.00 H new ATOM 0 HB3 LYS B 65 23.599 -1.395 0.363 1.00 0.00 H new ATOM 0 HG2 LYS B 65 25.593 -3.681 0.613 1.00 0.00 H new ATOM 0 HG3 LYS B 65 24.237 -3.638 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS B 65 26.451 -1.548 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS B 65 26.482 -2.973 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS B 65 24.267 -0.884 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS B 65 25.619 -0.909 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 23.850 -1.965 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 24.871 -3.231 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 23.445 -2.911 -2.380 1.00 0.00 H new ATOM 877 N CYS B 66 23.588 -0.723 3.627 1.00 0.00 N ATOM 878 CA CYS B 66 22.745 0.136 4.453 1.00 0.00 C ATOM 879 C CYS B 66 23.239 0.222 5.894 1.00 0.00 C ATOM 880 O CYS B 66 23.045 -0.704 6.687 1.00 0.00 O ATOM 881 CB CYS B 66 21.298 -0.360 4.432 1.00 0.00 C ATOM 882 SG CYS B 66 20.125 0.721 5.313 1.00 0.00 S ATOM 0 H CYS B 66 23.547 -1.715 3.863 1.00 0.00 H new ATOM 0 HA CYS B 66 22.797 1.138 4.026 1.00 0.00 H new ATOM 0 HB2 CYS B 66 20.975 -0.460 3.396 1.00 0.00 H new ATOM 0 HB3 CYS B 66 21.260 -1.355 4.875 1.00 0.00 H new ATOM 887 N SER B 67 23.842 1.364 6.221 1.00 0.00 N ATOM 888 CA SER B 67 24.347 1.652 7.566 1.00 0.00 C ATOM 889 C SER B 67 25.294 0.575 8.103 1.00 0.00 C ATOM 890 O SER B 67 25.865 -0.210 7.342 1.00 0.00 O ATOM 891 CB SER B 67 23.165 1.848 8.510 1.00 0.00 C ATOM 892 OG SER B 67 22.333 2.901 8.053 1.00 0.00 O ATOM 0 H SER B 67 23.996 2.122 5.556 1.00 0.00 H new ATOM 0 HA SER B 67 24.940 2.565 7.505 1.00 0.00 H new ATOM 0 HB2 SER B 67 22.589 0.925 8.577 1.00 0.00 H new ATOM 0 HB3 SER B 67 23.527 2.072 9.513 1.00 0.00 H new ATOM 0 HG SER B 67 22.436 3.678 8.641 1.00 0.00 H new ATOM 898 N VAL B 68 25.475 0.559 9.425 1.00 0.00 N ATOM 899 CA VAL B 68 26.363 -0.405 10.065 1.00 0.00 C ATOM 900 C VAL B 68 25.623 -1.280 11.081 1.00 0.00 C ATOM 901 O VAL B 68 25.732 -2.505 11.038 1.00 0.00 O ATOM 902 CB VAL B 68 27.573 0.289 10.741 1.00 0.00 C ATOM 903 CG1 VAL B 68 28.531 0.820 9.686 1.00 0.00 C ATOM 904 CG2 VAL B 68 27.123 1.420 11.660 1.00 0.00 C ATOM 0 H VAL B 68 25.018 1.203 10.070 1.00 0.00 H new ATOM 0 HA VAL B 68 26.737 -1.051 9.271 1.00 0.00 H new ATOM 0 HB VAL B 68 28.088 -0.454 11.350 1.00 0.00 H new ATOM 0 HG11 VAL B 68 29.377 1.305 10.174 1.00 0.00 H new ATOM 0 HG12 VAL B 68 28.891 -0.006 9.073 1.00 0.00 H new ATOM 0 HG13 VAL B 68 28.013 1.542 9.055 1.00 0.00 H new ATOM 0 HG21 VAL B 68 27.996 1.886 12.118 1.00 0.00 H new ATOM 0 HG22 VAL B 68 26.577 2.164 11.080 1.00 0.00 H new ATOM 0 HG23 VAL B 68 26.474 1.020 12.439 1.00 0.00 H new ATOM 914 N LEU B 69 24.867 -0.664 11.988 1.00 0.00 N ATOM 915 CA LEU B 69 24.126 -1.430 12.985 1.00 0.00 C ATOM 916 C LEU B 69 22.778 -1.858 12.432 1.00 0.00 C ATOM 917 O LEU B 69 22.168 -2.800 12.928 1.00 0.00 O ATOM 918 CB LEU B 69 23.984 -0.647 14.297 1.00 0.00 C ATOM 919 CG LEU B 69 23.317 0.728 14.205 1.00 0.00 C ATOM 920 CD1 LEU B 69 21.812 0.623 14.424 1.00 0.00 C ATOM 921 CD2 LEU B 69 23.936 1.680 15.218 1.00 0.00 C ATOM 0 H LEU B 69 24.753 0.348 12.053 1.00 0.00 H new ATOM 0 HA LEU B 69 24.692 -2.333 13.215 1.00 0.00 H new ATOM 0 HB2 LEU B 69 23.413 -1.256 14.998 1.00 0.00 H new ATOM 0 HB3 LEU B 69 24.978 -0.516 14.725 1.00 0.00 H new ATOM 0 HG LEU B 69 23.484 1.122 13.202 1.00 0.00 H new ATOM 0 HD11 LEU B 69 21.364 1.614 14.353 1.00 0.00 H new ATOM 0 HD12 LEU B 69 21.378 -0.026 13.664 1.00 0.00 H new ATOM 0 HD13 LEU B 69 21.616 0.206 15.412 1.00 0.00 H new ATOM 0 HD21 LEU B 69 23.454 2.655 15.143 1.00 0.00 H new ATOM 0 HD22 LEU B 69 23.797 1.282 16.223 1.00 0.00 H new ATOM 0 HD23 LEU B 69 25.001 1.786 15.014 1.00 0.00 H new ATOM 933 N LYS B 70 22.338 -1.191 11.371 1.00 0.00 N ATOM 934 CA LYS B 70 21.094 -1.536 10.720 1.00 0.00 C ATOM 935 C LYS B 70 21.390 -2.525 9.609 1.00 0.00 C ATOM 936 O LYS B 70 20.555 -2.783 8.745 1.00 0.00 O ATOM 937 CB LYS B 70 20.410 -0.288 10.158 1.00 0.00 C ATOM 938 CG LYS B 70 20.310 0.863 11.150 1.00 0.00 C ATOM 939 CD LYS B 70 19.345 1.949 10.682 1.00 0.00 C ATOM 940 CE LYS B 70 19.681 2.462 9.288 1.00 0.00 C ATOM 941 NZ LYS B 70 18.873 3.655 8.916 1.00 0.00 N ATOM 0 H LYS B 70 22.832 -0.406 10.947 1.00 0.00 H new ATOM 0 HA LYS B 70 20.415 -1.985 11.445 1.00 0.00 H new ATOM 0 HB2 LYS B 70 20.959 0.050 9.279 1.00 0.00 H new ATOM 0 HB3 LYS B 70 19.407 -0.555 9.824 1.00 0.00 H new ATOM 0 HG2 LYS B 70 19.981 0.480 12.116 1.00 0.00 H new ATOM 0 HG3 LYS B 70 21.298 1.298 11.299 1.00 0.00 H new ATOM 0 HD2 LYS B 70 18.329 1.555 10.686 1.00 0.00 H new ATOM 0 HD3 LYS B 70 19.367 2.780 11.387 1.00 0.00 H new ATOM 0 HE2 LYS B 70 20.740 2.714 9.242 1.00 0.00 H new ATOM 0 HE3 LYS B 70 19.510 1.669 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 19.508 4.448 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 18.289 3.433 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 18.257 3.919 9.711 1.00 0.00 H new ATOM 955 N LYS B 71 22.593 -3.091 9.657 1.00 0.00 N ATOM 956 CA LYS B 71 23.020 -4.067 8.675 1.00 0.00 C ATOM 957 C LYS B 71 22.625 -5.475 9.129 1.00 0.00 C ATOM 958 O LYS B 71 23.191 -6.470 8.681 1.00 0.00 O ATOM 959 CB LYS B 71 24.534 -3.980 8.446 1.00 0.00 C ATOM 960 CG LYS B 71 25.002 -4.690 7.185 1.00 0.00 C ATOM 961 CD LYS B 71 26.506 -4.874 7.181 1.00 0.00 C ATOM 962 CE LYS B 71 26.964 -5.712 5.996 1.00 0.00 C ATOM 963 NZ LYS B 71 28.383 -6.134 6.134 1.00 0.00 N ATOM 0 H LYS B 71 23.289 -2.884 10.373 1.00 0.00 H new ATOM 0 HA LYS B 71 22.522 -3.850 7.730 1.00 0.00 H new ATOM 0 HB2 LYS B 71 24.825 -2.931 8.391 1.00 0.00 H new ATOM 0 HB3 LYS B 71 25.048 -4.409 9.306 1.00 0.00 H new ATOM 0 HG2 LYS B 71 24.515 -5.662 7.111 1.00 0.00 H new ATOM 0 HG3 LYS B 71 24.702 -4.115 6.309 1.00 0.00 H new ATOM 0 HD2 LYS B 71 26.992 -3.899 7.148 1.00 0.00 H new ATOM 0 HD3 LYS B 71 26.817 -5.354 8.109 1.00 0.00 H new ATOM 0 HE2 LYS B 71 26.329 -6.594 5.908 1.00 0.00 H new ATOM 0 HE3 LYS B 71 26.843 -5.139 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 28.514 -7.063 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 28.999 -5.435 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 28.629 -6.200 7.142 1.00 0.00 H new ATOM 977 N VAL B 72 21.624 -5.551 10.009 1.00 0.00 N ATOM 978 CA VAL B 72 21.121 -6.836 10.503 1.00 0.00 C ATOM 979 C VAL B 72 20.409 -7.586 9.370 1.00 0.00 C ATOM 980 O VAL B 72 19.903 -8.697 9.556 1.00 0.00 O ATOM 981 CB VAL B 72 20.144 -6.642 11.686 1.00 0.00 C ATOM 982 CG1 VAL B 72 20.034 -7.909 12.516 1.00 0.00 C ATOM 983 CG2 VAL B 72 20.570 -5.480 12.564 1.00 0.00 C ATOM 0 H VAL B 72 21.145 -4.737 10.395 1.00 0.00 H new ATOM 0 HA VAL B 72 21.973 -7.417 10.855 1.00 0.00 H new ATOM 0 HB VAL B 72 19.164 -6.416 11.266 1.00 0.00 H new ATOM 0 HG11 VAL B 72 19.341 -7.745 13.341 1.00 0.00 H new ATOM 0 HG12 VAL B 72 19.667 -8.723 11.891 1.00 0.00 H new ATOM 0 HG13 VAL B 72 21.015 -8.170 12.913 1.00 0.00 H new ATOM 0 HG21 VAL B 72 19.864 -5.368 13.387 1.00 0.00 H new ATOM 0 HG22 VAL B 72 21.566 -5.672 12.963 1.00 0.00 H new ATOM 0 HG23 VAL B 72 20.586 -4.564 11.973 1.00 0.00 H new ATOM 993 N ALA B 73 20.387 -6.945 8.196 1.00 0.00 N ATOM 994 CA ALA B 73 19.771 -7.480 6.981 1.00 0.00 C ATOM 995 C ALA B 73 18.256 -7.461 7.069 1.00 0.00 C ATOM 996 O ALA B 73 17.575 -8.242 6.400 1.00 0.00 O ATOM 997 CB ALA B 73 20.286 -8.877 6.671 1.00 0.00 C ATOM 0 H ALA B 73 20.805 -6.024 8.063 1.00 0.00 H new ATOM 0 HA ALA B 73 20.059 -6.828 6.156 1.00 0.00 H new ATOM 0 HB1 ALA B 73 19.810 -9.247 5.763 1.00 0.00 H new ATOM 0 HB2 ALA B 73 21.366 -8.843 6.526 1.00 0.00 H new ATOM 0 HB3 ALA B 73 20.052 -9.544 7.501 1.00 0.00 H new ATOM 1003 N CYS B 74 17.742 -6.540 7.887 1.00 0.00 N ATOM 1004 CA CYS B 74 16.299 -6.349 8.086 1.00 0.00 C ATOM 1005 C CYS B 74 15.616 -7.555 8.719 1.00 0.00 C ATOM 1006 O CYS B 74 14.430 -7.499 9.008 1.00 0.00 O ATOM 1007 CB CYS B 74 15.608 -6.060 6.758 1.00 0.00 C ATOM 1008 SG CYS B 74 16.573 -5.044 5.602 1.00 0.00 S ATOM 0 H CYS B 74 18.317 -5.900 8.435 1.00 0.00 H new ATOM 0 HA CYS B 74 16.206 -5.504 8.768 1.00 0.00 H new ATOM 0 HB2 CYS B 74 15.369 -7.008 6.275 1.00 0.00 H new ATOM 0 HB3 CYS B 74 14.662 -5.557 6.959 1.00 0.00 H new ATOM 1013 N ALA B 75 16.341 -8.647 8.899 1.00 0.00 N ATOM 1014 CA ALA B 75 15.762 -9.861 9.456 1.00 0.00 C ATOM 1015 C ALA B 75 15.166 -9.641 10.842 1.00 0.00 C ATOM 1016 O ALA B 75 14.053 -10.084 11.118 1.00 0.00 O ATOM 1017 CB ALA B 75 16.806 -10.966 9.496 1.00 0.00 C ATOM 0 H ALA B 75 17.332 -8.719 8.668 1.00 0.00 H new ATOM 0 HA ALA B 75 14.942 -10.159 8.802 1.00 0.00 H new ATOM 0 HB1 ALA B 75 16.363 -11.870 9.914 1.00 0.00 H new ATOM 0 HB2 ALA B 75 17.160 -11.169 8.485 1.00 0.00 H new ATOM 0 HB3 ALA B 75 17.645 -10.652 10.117 1.00 0.00 H new ATOM 1023 N ALA B 76 15.901 -8.957 11.707 1.00 0.00 N ATOM 1024 CA ALA B 76 15.431 -8.690 13.065 1.00 0.00 C ATOM 1025 C ALA B 76 14.252 -7.713 13.089 1.00 0.00 C ATOM 1026 O ALA B 76 13.707 -7.424 14.153 1.00 0.00 O ATOM 1027 CB ALA B 76 16.571 -8.152 13.918 1.00 0.00 C ATOM 0 H ALA B 76 16.824 -8.576 11.496 1.00 0.00 H new ATOM 0 HA ALA B 76 15.079 -9.636 13.478 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.209 -7.957 14.927 1.00 0.00 H new ATOM 0 HB2 ALA B 76 17.375 -8.887 13.956 1.00 0.00 H new ATOM 0 HB3 ALA B 76 16.946 -7.226 13.482 1.00 0.00 H new ATOM 1033 N ALA B 77 13.863 -7.202 11.925 1.00 0.00 N ATOM 1034 CA ALA B 77 12.755 -6.258 11.846 1.00 0.00 C ATOM 1035 C ALA B 77 11.649 -6.729 10.900 1.00 0.00 C ATOM 1036 O ALA B 77 10.524 -6.243 10.974 1.00 0.00 O ATOM 1037 CB ALA B 77 13.258 -4.887 11.416 1.00 0.00 C ATOM 0 H ALA B 77 14.296 -7.424 11.029 1.00 0.00 H new ATOM 0 HA ALA B 77 12.322 -6.193 12.844 1.00 0.00 H new ATOM 0 HB1 ALA B 77 12.420 -4.193 11.361 1.00 0.00 H new ATOM 0 HB2 ALA B 77 13.985 -4.522 12.142 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.730 -4.963 10.437 1.00 0.00 H new ATOM 1043 N ILE B 78 11.968 -7.647 9.993 1.00 0.00 N ATOM 1044 CA ILE B 78 10.977 -8.127 9.039 1.00 0.00 C ATOM 1045 C ILE B 78 10.609 -9.582 9.293 1.00 0.00 C ATOM 1046 O ILE B 78 9.433 -9.940 9.282 1.00 0.00 O ATOM 1047 CB ILE B 78 11.451 -7.913 7.571 1.00 0.00 C ATOM 1048 CG1 ILE B 78 10.235 -7.640 6.682 1.00 0.00 C ATOM 1049 CG2 ILE B 78 12.261 -9.080 7.008 1.00 0.00 C ATOM 1050 CD1 ILE B 78 9.507 -6.361 7.029 1.00 0.00 C ATOM 0 H ILE B 78 12.892 -8.068 9.899 1.00 0.00 H new ATOM 0 HA ILE B 78 10.075 -7.533 9.186 1.00 0.00 H new ATOM 0 HB ILE B 78 12.125 -7.056 7.579 1.00 0.00 H new ATOM 0 HG12 ILE B 78 10.559 -7.593 5.642 1.00 0.00 H new ATOM 0 HG13 ILE B 78 9.541 -8.477 6.763 1.00 0.00 H new ATOM 0 HG21 ILE B 78 12.555 -8.857 5.982 1.00 0.00 H new ATOM 0 HG22 ILE B 78 13.152 -9.231 7.617 1.00 0.00 H new ATOM 0 HG23 ILE B 78 11.654 -9.985 7.023 1.00 0.00 H new ATOM 0 HD11 ILE B 78 8.657 -6.233 6.359 1.00 0.00 H new ATOM 0 HD12 ILE B 78 9.152 -6.412 8.058 1.00 0.00 H new ATOM 0 HD13 ILE B 78 10.186 -5.515 6.920 1.00 0.00 H new ATOM 1062 N ALA B 79 11.614 -10.412 9.524 1.00 0.00 N ATOM 1063 CA ALA B 79 11.392 -11.831 9.784 1.00 0.00 C ATOM 1064 C ALA B 79 10.665 -12.041 11.104 1.00 0.00 C ATOM 1065 O ALA B 79 9.873 -12.968 11.240 1.00 0.00 O ATOM 1066 CB ALA B 79 12.707 -12.596 9.775 1.00 0.00 C ATOM 0 H ALA B 79 12.594 -10.130 9.537 1.00 0.00 H new ATOM 0 HA ALA B 79 10.761 -12.219 8.984 1.00 0.00 H new ATOM 0 HB1 ALA B 79 12.516 -13.651 9.971 1.00 0.00 H new ATOM 0 HB2 ALA B 79 13.184 -12.489 8.801 1.00 0.00 H new ATOM 0 HB3 ALA B 79 13.365 -12.197 10.547 1.00 0.00 H new ATOM 1072 N GLY B 80 10.923 -11.170 12.071 1.00 0.00 N ATOM 1073 CA GLY B 80 10.262 -11.285 13.357 1.00 0.00 C ATOM 1074 C GLY B 80 8.859 -10.716 13.319 1.00 0.00 C ATOM 1075 O GLY B 80 8.001 -11.101 14.114 1.00 0.00 O ATOM 0 H GLY B 80 11.575 -10.390 11.989 1.00 0.00 H new ATOM 0 HA2 GLY B 80 10.222 -12.333 13.653 1.00 0.00 H new ATOM 0 HA3 GLY B 80 10.846 -10.762 14.114 1.00 0.00 H new ATOM 1079 N ALA B 81 8.622 -9.802 12.378 1.00 0.00 N ATOM 1080 CA ALA B 81 7.313 -9.180 12.220 1.00 0.00 C ATOM 1081 C ALA B 81 6.329 -10.124 11.537 1.00 0.00 C ATOM 1082 O ALA B 81 5.115 -9.939 11.631 1.00 0.00 O ATOM 1083 CB ALA B 81 7.423 -7.886 11.428 1.00 0.00 C ATOM 0 H ALA B 81 9.324 -9.477 11.713 1.00 0.00 H new ATOM 0 HA ALA B 81 6.936 -8.954 13.217 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.435 -7.439 11.322 1.00 0.00 H new ATOM 0 HB2 ALA B 81 8.080 -7.193 11.953 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.833 -8.098 10.440 1.00 0.00 H new ATOM 1089 N VAL B 82 6.857 -11.131 10.849 1.00 0.00 N ATOM 1090 CA VAL B 82 6.039 -12.101 10.154 1.00 0.00 C ATOM 1091 C VAL B 82 5.209 -12.921 11.148 1.00 0.00 C ATOM 1092 O VAL B 82 3.987 -13.024 11.012 1.00 0.00 O ATOM 1093 CB VAL B 82 6.929 -13.032 9.301 1.00 0.00 C ATOM 1094 CG1 VAL B 82 6.110 -14.136 8.670 1.00 0.00 C ATOM 1095 CG2 VAL B 82 7.666 -12.240 8.231 1.00 0.00 C ATOM 0 H VAL B 82 7.860 -11.292 10.762 1.00 0.00 H new ATOM 0 HA VAL B 82 5.354 -11.567 9.495 1.00 0.00 H new ATOM 0 HB VAL B 82 7.665 -13.489 9.962 1.00 0.00 H new ATOM 0 HG11 VAL B 82 6.761 -14.777 8.075 1.00 0.00 H new ATOM 0 HG12 VAL B 82 5.634 -14.728 9.452 1.00 0.00 H new ATOM 0 HG13 VAL B 82 5.345 -13.700 8.028 1.00 0.00 H new ATOM 0 HG21 VAL B 82 8.287 -12.915 7.642 1.00 0.00 H new ATOM 0 HG22 VAL B 82 6.943 -11.749 7.579 1.00 0.00 H new ATOM 0 HG23 VAL B 82 8.296 -11.488 8.705 1.00 0.00 H new ATOM 1105 N ALA B 83 5.879 -13.497 12.142 1.00 0.00 N ATOM 1106 CA ALA B 83 5.215 -14.304 13.160 1.00 0.00 C ATOM 1107 C ALA B 83 4.296 -13.460 14.040 1.00 0.00 C ATOM 1108 O ALA B 83 3.248 -13.926 14.485 1.00 0.00 O ATOM 1109 CB ALA B 83 6.255 -15.013 14.013 1.00 0.00 C ATOM 0 H ALA B 83 6.889 -13.419 12.264 1.00 0.00 H new ATOM 0 HA ALA B 83 4.595 -15.043 12.652 1.00 0.00 H new ATOM 0 HB1 ALA B 83 5.755 -15.614 14.772 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.864 -15.659 13.381 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.893 -14.274 14.498 1.00 0.00 H new ATOM 1115 N ALA B 84 4.704 -12.216 14.289 1.00 0.00 N ATOM 1116 CA ALA B 84 3.928 -11.298 15.119 1.00 0.00 C ATOM 1117 C ALA B 84 2.594 -10.945 14.464 1.00 0.00 C ATOM 1118 O ALA B 84 1.572 -10.822 15.138 1.00 0.00 O ATOM 1119 CB ALA B 84 4.727 -10.033 15.395 1.00 0.00 C ATOM 0 H ALA B 84 5.571 -11.821 13.926 1.00 0.00 H new ATOM 0 HA ALA B 84 3.716 -11.800 16.063 1.00 0.00 H new ATOM 0 HB1 ALA B 84 4.137 -9.358 16.015 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.649 -10.291 15.916 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.969 -9.542 14.452 1.00 0.00 H new ATOM 1125 N CYS B 85 2.611 -10.777 13.149 1.00 0.00 N ATOM 1126 CA CYS B 85 1.401 -10.432 12.412 1.00 0.00 C ATOM 1127 C CYS B 85 0.604 -11.677 12.040 1.00 0.00 C ATOM 1128 O CYS B 85 -0.614 -11.617 11.867 1.00 0.00 O ATOM 1129 CB CYS B 85 1.747 -9.640 11.158 1.00 0.00 C ATOM 1130 SG CYS B 85 0.303 -8.855 10.382 1.00 0.00 S ATOM 0 H CYS B 85 3.446 -10.873 12.571 1.00 0.00 H new ATOM 0 HA CYS B 85 0.782 -9.814 13.063 1.00 0.00 H new ATOM 0 HB2 CYS B 85 2.477 -8.871 11.412 1.00 0.00 H new ATOM 0 HB3 CYS B 85 2.222 -10.305 10.436 1.00 0.00 H new ATOM 1135 N GLY B 86 1.287 -12.807 11.920 1.00 0.00 N ATOM 1136 CA GLY B 86 0.613 -14.040 11.568 1.00 0.00 C ATOM 1137 C GLY B 86 0.362 -14.144 10.082 1.00 0.00 C ATOM 1138 O GLY B 86 -0.737 -14.490 9.646 1.00 0.00 O ATOM 0 H GLY B 86 2.294 -12.892 12.060 1.00 0.00 H new ATOM 0 HA2 GLY B 86 1.215 -14.888 11.894 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -0.336 -14.099 12.101 1.00 0.00 H new ATOM 1142 N GLY B 87 1.383 -13.834 9.299 1.00 0.00 N ATOM 1143 CA GLY B 87 1.256 -13.892 7.860 1.00 0.00 C ATOM 1144 C GLY B 87 2.201 -12.937 7.170 1.00 0.00 C ATOM 1145 O GLY B 87 2.305 -11.766 7.553 1.00 0.00 O ATOM 0 H GLY B 87 2.300 -13.542 9.637 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.454 -14.908 7.519 1.00 0.00 H new ATOM 0 HA3 GLY B 87 0.230 -13.655 7.577 1.00 0.00 H new ATOM 1149 N ILE B 88 2.899 -13.425 6.158 1.00 0.00 N ATOM 1150 CA ILE B 88 3.839 -12.597 5.426 1.00 0.00 C ATOM 1151 C ILE B 88 3.181 -11.961 4.202 1.00 0.00 C ATOM 1152 O ILE B 88 2.453 -12.616 3.453 1.00 0.00 O ATOM 1153 CB ILE B 88 5.092 -13.401 5.001 1.00 0.00 C ATOM 1154 CG1 ILE B 88 6.014 -12.551 4.122 1.00 0.00 C ATOM 1155 CG2 ILE B 88 4.701 -14.682 4.280 1.00 0.00 C ATOM 1156 CD1 ILE B 88 6.705 -11.426 4.863 1.00 0.00 C ATOM 0 H ILE B 88 2.832 -14.387 5.826 1.00 0.00 H new ATOM 0 HA ILE B 88 4.157 -11.801 6.100 1.00 0.00 H new ATOM 0 HB ILE B 88 5.635 -13.673 5.906 1.00 0.00 H new ATOM 0 HG12 ILE B 88 6.770 -13.197 3.675 1.00 0.00 H new ATOM 0 HG13 ILE B 88 5.431 -12.129 3.303 1.00 0.00 H new ATOM 0 HG21 ILE B 88 5.600 -15.227 3.993 1.00 0.00 H new ATOM 0 HG22 ILE B 88 4.097 -15.302 4.942 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.125 -14.436 3.388 1.00 0.00 H new ATOM 0 HD11 ILE B 88 7.340 -10.871 4.172 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.957 -10.756 5.287 1.00 0.00 H new ATOM 0 HD13 ILE B 88 7.317 -11.840 5.665 1.00 0.00 H new ATOM 1168 N ASP B 89 3.461 -10.679 4.016 1.00 0.00 N ATOM 1169 CA ASP B 89 2.939 -9.908 2.896 1.00 0.00 C ATOM 1170 C ASP B 89 3.759 -8.634 2.768 1.00 0.00 C ATOM 1171 O ASP B 89 4.864 -8.657 2.230 1.00 0.00 O ATOM 1172 CB ASP B 89 1.457 -9.572 3.092 1.00 0.00 C ATOM 1173 CG ASP B 89 0.814 -9.035 1.831 1.00 0.00 C ATOM 1174 OD1 ASP B 89 1.461 -9.080 0.766 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -0.343 -8.585 1.905 1.00 0.00 O ATOM 0 H ASP B 89 4.060 -10.141 4.642 1.00 0.00 H new ATOM 0 HA ASP B 89 3.017 -10.500 1.984 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.924 -10.466 3.415 1.00 0.00 H new ATOM 0 HB3 ASP B 89 1.357 -8.836 3.889 1.00 0.00 H new ATOM 1180 N LEU B 90 3.234 -7.536 3.301 1.00 0.00 N ATOM 1181 CA LEU B 90 3.936 -6.260 3.274 1.00 0.00 C ATOM 1182 C LEU B 90 3.232 -5.226 4.160 1.00 0.00 C ATOM 1183 O LEU B 90 3.849 -4.712 5.082 1.00 0.00 O ATOM 1184 CB LEU B 90 4.098 -5.729 1.842 1.00 0.00 C ATOM 1185 CG LEU B 90 4.762 -4.351 1.719 1.00 0.00 C ATOM 1186 CD1 LEU B 90 6.161 -4.348 2.320 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.820 -3.937 0.262 1.00 0.00 C ATOM 0 H LEU B 90 2.322 -7.505 3.758 1.00 0.00 H new ATOM 0 HA LEU B 90 4.935 -6.432 3.675 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.685 -6.448 1.271 1.00 0.00 H new ATOM 0 HB3 LEU B 90 3.113 -5.681 1.377 1.00 0.00 H new ATOM 0 HG LEU B 90 4.159 -3.635 2.278 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.600 -3.356 2.215 1.00 0.00 H new ATOM 0 HD12 LEU B 90 6.104 -4.609 3.377 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.782 -5.077 1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.292 -2.958 0.180 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.400 -4.668 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.809 -3.887 -0.143 1.00 0.00 H new ATOM 1199 N PRO B 91 1.935 -4.897 3.902 1.00 0.00 N ATOM 1200 CA PRO B 91 1.173 -3.910 4.685 1.00 0.00 C ATOM 1201 C PRO B 91 1.426 -3.957 6.192 1.00 0.00 C ATOM 1202 O PRO B 91 1.821 -2.960 6.791 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.295 -4.267 4.389 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.258 -5.460 3.485 1.00 0.00 C ATOM 1205 CD PRO B 91 1.086 -5.431 2.828 1.00 0.00 C ATOM 0 HA PRO B 91 1.466 -2.899 4.401 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.835 -4.492 5.309 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.811 -3.433 3.913 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.398 -6.382 4.049 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.057 -5.415 2.744 1.00 0.00 H new ATOM 0 HD2 PRO B 91 1.406 -6.423 2.509 1.00 0.00 H new ATOM 0 HD3 PRO B 91 1.095 -4.793 1.944 1.00 0.00 H new ATOM 1213 N CYS B 92 1.167 -5.100 6.804 1.00 0.00 N ATOM 1214 CA CYS B 92 1.339 -5.244 8.243 1.00 0.00 C ATOM 1215 C CYS B 92 2.780 -5.575 8.643 1.00 0.00 C ATOM 1216 O CYS B 92 3.223 -5.211 9.733 1.00 0.00 O ATOM 1217 CB CYS B 92 0.379 -6.313 8.767 1.00 0.00 C ATOM 1218 SG CYS B 92 0.719 -6.876 10.463 1.00 0.00 S ATOM 0 H CYS B 92 0.838 -5.941 6.330 1.00 0.00 H new ATOM 0 HA CYS B 92 1.109 -4.280 8.697 1.00 0.00 H new ATOM 0 HB2 CYS B 92 -0.637 -5.921 8.726 1.00 0.00 H new ATOM 0 HB3 CYS B 92 0.416 -7.174 8.099 1.00 0.00 H new ATOM 1223 N VAL B 93 3.503 -6.279 7.780 1.00 0.00 N ATOM 1224 CA VAL B 93 4.872 -6.668 8.071 1.00 0.00 C ATOM 1225 C VAL B 93 5.833 -5.477 8.022 1.00 0.00 C ATOM 1226 O VAL B 93 6.626 -5.275 8.940 1.00 0.00 O ATOM 1227 CB VAL B 93 5.346 -7.742 7.080 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.526 -8.489 7.650 1.00 0.00 C ATOM 1229 CG2 VAL B 93 4.221 -8.705 6.746 1.00 0.00 C ATOM 0 H VAL B 93 3.160 -6.591 6.872 1.00 0.00 H new ATOM 0 HA VAL B 93 4.879 -7.068 9.085 1.00 0.00 H new ATOM 0 HB VAL B 93 5.653 -7.248 6.158 1.00 0.00 H new ATOM 0 HG11 VAL B 93 6.854 -9.248 6.940 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.342 -7.791 7.838 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.236 -8.969 8.585 1.00 0.00 H new ATOM 0 HG21 VAL B 93 4.581 -9.456 6.043 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.880 -9.196 7.657 1.00 0.00 H new ATOM 0 HG23 VAL B 93 3.393 -8.156 6.298 1.00 0.00 H new ATOM 1239 N LEU B 94 5.760 -4.704 6.945 1.00 0.00 N ATOM 1240 CA LEU B 94 6.624 -3.539 6.763 1.00 0.00 C ATOM 1241 C LEU B 94 6.360 -2.492 7.840 1.00 0.00 C ATOM 1242 O LEU B 94 7.271 -1.794 8.280 1.00 0.00 O ATOM 1243 CB LEU B 94 6.386 -2.932 5.382 1.00 0.00 C ATOM 1244 CG LEU B 94 7.483 -2.006 4.839 1.00 0.00 C ATOM 1245 CD1 LEU B 94 7.407 -0.616 5.457 1.00 0.00 C ATOM 1246 CD2 LEU B 94 8.860 -2.617 5.064 1.00 0.00 C ATOM 0 H LEU B 94 5.107 -4.863 6.178 1.00 0.00 H new ATOM 0 HA LEU B 94 7.662 -3.863 6.846 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.246 -3.747 4.672 1.00 0.00 H new ATOM 0 HB3 LEU B 94 5.452 -2.371 5.413 1.00 0.00 H new ATOM 0 HG LEU B 94 7.318 -1.897 3.767 1.00 0.00 H new ATOM 0 HD11 LEU B 94 8.200 0.009 5.046 1.00 0.00 H new ATOM 0 HD12 LEU B 94 6.439 -0.169 5.230 1.00 0.00 H new ATOM 0 HD13 LEU B 94 7.527 -0.691 6.538 1.00 0.00 H new ATOM 0 HD21 LEU B 94 9.624 -1.946 4.672 1.00 0.00 H new ATOM 0 HD22 LEU B 94 9.021 -2.767 6.131 1.00 0.00 H new ATOM 0 HD23 LEU B 94 8.921 -3.576 4.549 1.00 0.00 H new ATOM 1258 N ALA B 95 5.100 -2.379 8.243 1.00 0.00 N ATOM 1259 CA ALA B 95 4.688 -1.406 9.258 1.00 0.00 C ATOM 1260 C ALA B 95 5.506 -1.525 10.548 1.00 0.00 C ATOM 1261 O ALA B 95 5.764 -0.526 11.218 1.00 0.00 O ATOM 1262 CB ALA B 95 3.202 -1.552 9.559 1.00 0.00 C ATOM 0 H ALA B 95 4.338 -2.952 7.881 1.00 0.00 H new ATOM 0 HA ALA B 95 4.878 -0.414 8.847 1.00 0.00 H new ATOM 0 HB1 ALA B 95 2.910 -0.823 10.315 1.00 0.00 H new ATOM 0 HB2 ALA B 95 2.628 -1.380 8.649 1.00 0.00 H new ATOM 0 HB3 ALA B 95 3.003 -2.558 9.929 1.00 0.00 H new ATOM 1268 N ALA B 96 5.917 -2.740 10.893 1.00 0.00 N ATOM 1269 CA ALA B 96 6.706 -2.962 12.104 1.00 0.00 C ATOM 1270 C ALA B 96 8.185 -2.676 11.864 1.00 0.00 C ATOM 1271 O ALA B 96 8.957 -2.494 12.808 1.00 0.00 O ATOM 1272 CB ALA B 96 6.516 -4.385 12.601 1.00 0.00 C ATOM 0 H ALA B 96 5.719 -3.584 10.356 1.00 0.00 H new ATOM 0 HA ALA B 96 6.352 -2.269 12.868 1.00 0.00 H new ATOM 0 HB1 ALA B 96 7.109 -4.538 13.503 1.00 0.00 H new ATOM 0 HB2 ALA B 96 5.463 -4.554 12.826 1.00 0.00 H new ATOM 0 HB3 ALA B 96 6.840 -5.086 11.831 1.00 0.00 H new ATOM 1278 N LEU B 97 8.569 -2.629 10.597 1.00 0.00 N ATOM 1279 CA LEU B 97 9.949 -2.359 10.213 1.00 0.00 C ATOM 1280 C LEU B 97 10.233 -0.858 10.236 1.00 0.00 C ATOM 1281 O LEU B 97 11.386 -0.435 10.120 1.00 0.00 O ATOM 1282 CB LEU B 97 10.221 -2.950 8.816 1.00 0.00 C ATOM 1283 CG LEU B 97 11.595 -2.644 8.198 1.00 0.00 C ATOM 1284 CD1 LEU B 97 12.092 -3.827 7.389 1.00 0.00 C ATOM 1285 CD2 LEU B 97 11.521 -1.416 7.301 1.00 0.00 C ATOM 0 H LEU B 97 7.938 -2.776 9.809 1.00 0.00 H new ATOM 0 HA LEU B 97 10.618 -2.833 10.932 1.00 0.00 H new ATOM 0 HB2 LEU B 97 10.107 -4.032 8.875 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.452 -2.585 8.135 1.00 0.00 H new ATOM 0 HG LEU B 97 12.291 -2.449 9.014 1.00 0.00 H new ATOM 0 HD11 LEU B 97 13.066 -3.591 6.960 1.00 0.00 H new ATOM 0 HD12 LEU B 97 12.183 -4.699 8.037 1.00 0.00 H new ATOM 0 HD13 LEU B 97 11.385 -4.043 6.588 1.00 0.00 H new ATOM 0 HD21 LEU B 97 12.504 -1.217 6.874 1.00 0.00 H new ATOM 0 HD22 LEU B 97 10.806 -1.595 6.498 1.00 0.00 H new ATOM 0 HD23 LEU B 97 11.200 -0.556 7.888 1.00 0.00 H new ATOM 1297 N LYS B 98 9.177 -0.059 10.381 1.00 0.00 N ATOM 1298 CA LYS B 98 9.305 1.396 10.411 1.00 0.00 C ATOM 1299 C LYS B 98 10.051 1.880 11.662 1.00 0.00 C ATOM 1300 O LYS B 98 9.456 2.460 12.573 1.00 0.00 O ATOM 1301 CB LYS B 98 7.923 2.047 10.353 1.00 0.00 C ATOM 1302 CG LYS B 98 7.152 1.779 9.063 1.00 0.00 C ATOM 1303 CD LYS B 98 5.663 2.066 9.238 1.00 0.00 C ATOM 1304 CE LYS B 98 5.420 3.476 9.756 1.00 0.00 C ATOM 1305 NZ LYS B 98 4.020 3.679 10.222 1.00 0.00 N ATOM 0 H LYS B 98 8.220 -0.397 10.480 1.00 0.00 H new ATOM 0 HA LYS B 98 9.888 1.690 9.538 1.00 0.00 H new ATOM 0 HB2 LYS B 98 7.331 1.690 11.196 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.037 3.124 10.477 1.00 0.00 H new ATOM 0 HG2 LYS B 98 7.553 2.400 8.262 1.00 0.00 H new ATOM 0 HG3 LYS B 98 7.292 0.741 8.762 1.00 0.00 H new ATOM 0 HD2 LYS B 98 5.152 1.936 8.284 1.00 0.00 H new ATOM 0 HD3 LYS B 98 5.232 1.344 9.932 1.00 0.00 H new ATOM 0 HE2 LYS B 98 6.106 3.681 10.578 1.00 0.00 H new ATOM 0 HE3 LYS B 98 5.644 4.193 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 3.906 4.654 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 3.364 3.510 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 3.811 3.014 10.994 1.00 0.00 H new ATOM 1319 N ALA B 99 11.353 1.637 11.677 1.00 0.00 N ATOM 1320 CA ALA B 99 12.237 2.027 12.768 1.00 0.00 C ATOM 1321 C ALA B 99 13.653 2.127 12.225 1.00 0.00 C ATOM 1322 O ALA B 99 14.401 3.046 12.545 1.00 0.00 O ATOM 1323 CB ALA B 99 12.175 1.020 13.910 1.00 0.00 C ATOM 0 H ALA B 99 11.835 1.155 10.918 1.00 0.00 H new ATOM 0 HA ALA B 99 11.919 2.991 13.166 1.00 0.00 H new ATOM 0 HB1 ALA B 99 12.844 1.336 14.710 1.00 0.00 H new ATOM 0 HB2 ALA B 99 11.155 0.964 14.291 1.00 0.00 H new ATOM 0 HB3 ALA B 99 12.481 0.039 13.547 1.00 0.00 H new ATOM 1329 N ALA B 100 13.991 1.176 11.361 1.00 0.00 N ATOM 1330 CA ALA B 100 15.293 1.140 10.713 1.00 0.00 C ATOM 1331 C ALA B 100 15.117 1.463 9.236 1.00 0.00 C ATOM 1332 O ALA B 100 15.354 0.621 8.365 1.00 0.00 O ATOM 1333 CB ALA B 100 15.951 -0.220 10.897 1.00 0.00 C ATOM 0 H ALA B 100 13.371 0.412 11.092 1.00 0.00 H new ATOM 0 HA ALA B 100 15.947 1.883 11.170 1.00 0.00 H new ATOM 0 HB1 ALA B 100 16.923 -0.223 10.404 1.00 0.00 H new ATOM 0 HB2 ALA B 100 16.083 -0.420 11.960 1.00 0.00 H new ATOM 0 HB3 ALA B 100 15.319 -0.992 10.458 1.00 0.00 H new ATOM 1339 N GLU B 101 14.662 2.684 8.977 1.00 0.00 N ATOM 1340 CA GLU B 101 14.398 3.155 7.622 1.00 0.00 C ATOM 1341 C GLU B 101 15.647 3.108 6.745 1.00 0.00 C ATOM 1342 O GLU B 101 16.774 3.017 7.239 1.00 0.00 O ATOM 1343 CB GLU B 101 13.850 4.580 7.668 1.00 0.00 C ATOM 1344 CG GLU B 101 12.655 4.743 8.595 1.00 0.00 C ATOM 1345 CD GLU B 101 12.170 6.169 8.654 1.00 0.00 C ATOM 1346 OE1 GLU B 101 12.973 7.054 9.004 1.00 0.00 O ATOM 1347 OE2 GLU B 101 10.990 6.411 8.339 1.00 0.00 O ATOM 0 H GLU B 101 14.466 3.375 9.701 1.00 0.00 H new ATOM 0 HA GLU B 101 13.660 2.487 7.178 1.00 0.00 H new ATOM 0 HB2 GLU B 101 14.643 5.255 7.989 1.00 0.00 H new ATOM 0 HB3 GLU B 101 13.562 4.882 6.661 1.00 0.00 H new ATOM 0 HG2 GLU B 101 11.844 4.099 8.256 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.927 4.412 9.597 1.00 0.00 H new ATOM 1354 N GLY B 102 15.435 3.165 5.437 1.00 0.00 N ATOM 1355 CA GLY B 102 16.542 3.124 4.501 1.00 0.00 C ATOM 1356 C GLY B 102 16.920 1.711 4.121 1.00 0.00 C ATOM 1357 O GLY B 102 17.125 1.406 2.947 1.00 0.00 O ATOM 0 H GLY B 102 14.513 3.239 5.006 1.00 0.00 H new ATOM 0 HA2 GLY B 102 16.276 3.681 3.602 1.00 0.00 H new ATOM 0 HA3 GLY B 102 17.406 3.623 4.941 1.00 0.00 H new ATOM 1361 N CYS B 103 17.012 0.842 5.116 1.00 0.00 N ATOM 1362 CA CYS B 103 17.373 -0.549 4.880 1.00 0.00 C ATOM 1363 C CYS B 103 16.189 -1.353 4.352 1.00 0.00 C ATOM 1364 O CYS B 103 16.345 -2.512 3.992 1.00 0.00 O ATOM 1365 CB CYS B 103 17.897 -1.191 6.165 1.00 0.00 C ATOM 1366 SG CYS B 103 19.424 -0.440 6.825 1.00 0.00 S ATOM 0 H CYS B 103 16.842 1.074 6.094 1.00 0.00 H new ATOM 0 HA CYS B 103 18.158 -0.558 4.124 1.00 0.00 H new ATOM 0 HB2 CYS B 103 17.120 -1.132 6.927 1.00 0.00 H new ATOM 0 HB3 CYS B 103 18.080 -2.249 5.978 1.00 0.00 H new ATOM 1371 N ALA B 104 15.008 -0.735 4.308 1.00 0.00 N ATOM 1372 CA ALA B 104 13.792 -1.404 3.827 1.00 0.00 C ATOM 1373 C ALA B 104 13.914 -1.880 2.374 1.00 0.00 C ATOM 1374 O ALA B 104 13.089 -2.664 1.905 1.00 0.00 O ATOM 1375 CB ALA B 104 12.592 -0.478 3.964 1.00 0.00 C ATOM 0 H ALA B 104 14.865 0.232 4.600 1.00 0.00 H new ATOM 0 HA ALA B 104 13.652 -2.288 4.449 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.697 -0.986 3.604 1.00 0.00 H new ATOM 0 HB2 ALA B 104 12.459 -0.207 5.011 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.759 0.424 3.375 1.00 0.00 H new ATOM 1381 N SER B 105 14.935 -1.401 1.670 1.00 0.00 N ATOM 1382 CA SER B 105 15.157 -1.774 0.278 1.00 0.00 C ATOM 1383 C SER B 105 15.483 -3.263 0.141 1.00 0.00 C ATOM 1384 O SER B 105 15.211 -3.863 -0.891 1.00 0.00 O ATOM 1385 CB SER B 105 16.293 -0.936 -0.298 1.00 0.00 C ATOM 1386 OG SER B 105 16.088 0.441 -0.025 1.00 0.00 O ATOM 0 H SER B 105 15.625 -0.750 2.044 1.00 0.00 H new ATOM 0 HA SER B 105 14.239 -1.583 -0.277 1.00 0.00 H new ATOM 0 HB2 SER B 105 17.243 -1.259 0.129 1.00 0.00 H new ATOM 0 HB3 SER B 105 16.358 -1.093 -1.375 1.00 0.00 H new ATOM 0 HG SER B 105 16.419 0.649 0.874 1.00 0.00 H new ATOM 1392 N CYS B 106 16.058 -3.850 1.193 1.00 0.00 N ATOM 1393 CA CYS B 106 16.418 -5.276 1.202 1.00 0.00 C ATOM 1394 C CYS B 106 15.254 -6.149 0.729 1.00 0.00 C ATOM 1395 O CYS B 106 15.376 -6.913 -0.229 1.00 0.00 O ATOM 1396 CB CYS B 106 16.819 -5.698 2.620 1.00 0.00 C ATOM 1397 SG CYS B 106 15.553 -5.298 3.872 1.00 0.00 S ATOM 0 H CYS B 106 16.287 -3.359 2.057 1.00 0.00 H new ATOM 0 HA CYS B 106 17.254 -5.415 0.517 1.00 0.00 H new ATOM 0 HB2 CYS B 106 17.008 -6.771 2.633 1.00 0.00 H new ATOM 0 HB3 CYS B 106 17.754 -5.206 2.888 1.00 0.00 H new ATOM 1402 N PHE B 107 14.136 -6.019 1.424 1.00 0.00 N ATOM 1403 CA PHE B 107 12.925 -6.765 1.135 1.00 0.00 C ATOM 1404 C PHE B 107 12.167 -6.128 -0.026 1.00 0.00 C ATOM 1405 O PHE B 107 11.835 -6.794 -1.007 1.00 0.00 O ATOM 1406 CB PHE B 107 12.078 -6.777 2.416 1.00 0.00 C ATOM 1407 CG PHE B 107 10.686 -7.350 2.325 1.00 0.00 C ATOM 1408 CD1 PHE B 107 10.215 -8.008 1.198 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.843 -7.214 3.409 1.00 0.00 C ATOM 1410 CE1 PHE B 107 8.929 -8.514 1.163 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.564 -7.713 3.384 1.00 0.00 C ATOM 1412 CZ PHE B 107 8.101 -8.363 2.258 1.00 0.00 C ATOM 0 H PHE B 107 14.044 -5.383 2.216 1.00 0.00 H new ATOM 0 HA PHE B 107 13.161 -7.786 0.834 1.00 0.00 H new ATOM 0 HB2 PHE B 107 12.624 -7.338 3.175 1.00 0.00 H new ATOM 0 HB3 PHE B 107 11.997 -5.751 2.775 1.00 0.00 H new ATOM 0 HD1 PHE B 107 10.859 -8.126 0.339 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.196 -6.705 4.294 1.00 0.00 H new ATOM 0 HE1 PHE B 107 8.573 -9.026 0.281 1.00 0.00 H new ATOM 0 HE2 PHE B 107 7.921 -7.597 4.244 1.00 0.00 H new ATOM 0 HZ PHE B 107 7.094 -8.752 2.233 1.00 0.00 H new ATOM 1422 N CYS B 108 11.878 -4.843 0.099 1.00 0.00 N ATOM 1423 CA CYS B 108 11.130 -4.126 -0.927 1.00 0.00 C ATOM 1424 C CYS B 108 12.001 -3.661 -2.086 1.00 0.00 C ATOM 1425 O CYS B 108 11.842 -2.541 -2.559 1.00 0.00 O ATOM 1426 CB CYS B 108 10.433 -2.917 -0.320 1.00 0.00 C ATOM 1427 SG CYS B 108 9.226 -3.323 0.976 1.00 0.00 S ATOM 0 H CYS B 108 12.149 -4.273 0.900 1.00 0.00 H new ATOM 0 HA CYS B 108 10.401 -4.833 -1.324 1.00 0.00 H new ATOM 0 HB2 CYS B 108 11.187 -2.250 0.098 1.00 0.00 H new ATOM 0 HB3 CYS B 108 9.926 -2.368 -1.114 1.00 0.00 H new ATOM 1432 N GLU B 109 12.903 -4.505 -2.556 1.00 0.00 N ATOM 1433 CA GLU B 109 13.758 -4.131 -3.672 1.00 0.00 C ATOM 1434 C GLU B 109 12.973 -4.224 -4.972 1.00 0.00 C ATOM 1435 O GLU B 109 12.757 -3.223 -5.654 1.00 0.00 O ATOM 1436 CB GLU B 109 14.982 -5.042 -3.727 1.00 0.00 C ATOM 1437 CG GLU B 109 16.096 -4.523 -4.626 1.00 0.00 C ATOM 1438 CD GLU B 109 16.553 -3.130 -4.250 1.00 0.00 C ATOM 1439 OE1 GLU B 109 17.088 -2.955 -3.140 1.00 0.00 O ATOM 1440 OE2 GLU B 109 16.372 -2.207 -5.067 1.00 0.00 O ATOM 0 H GLU B 109 13.062 -5.443 -2.189 1.00 0.00 H new ATOM 0 HA GLU B 109 14.097 -3.104 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.373 -5.171 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.674 -6.027 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU B 109 16.945 -5.205 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.751 -4.520 -5.660 1.00 0.00 H new ATOM 1447 N ASP B 110 12.525 -5.431 -5.295 1.00 0.00 N ATOM 1448 CA ASP B 110 11.739 -5.654 -6.499 1.00 0.00 C ATOM 1449 C ASP B 110 10.252 -5.507 -6.183 1.00 0.00 C ATOM 1450 O ASP B 110 9.390 -5.758 -7.028 1.00 0.00 O ATOM 1451 CB ASP B 110 12.048 -7.029 -7.110 1.00 0.00 C ATOM 1452 CG ASP B 110 11.715 -8.194 -6.201 1.00 0.00 C ATOM 1453 OD1 ASP B 110 12.231 -8.243 -5.067 1.00 0.00 O ATOM 1454 OD2 ASP B 110 10.959 -9.082 -6.639 1.00 0.00 O ATOM 0 H ASP B 110 12.693 -6.270 -4.739 1.00 0.00 H new ATOM 0 HA ASP B 110 12.009 -4.902 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP B 110 11.490 -7.136 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP B 110 13.107 -7.072 -7.366 1.00 0.00 H new ATOM 1459 N HIS B 111 9.979 -5.066 -4.958 1.00 0.00 N ATOM 1460 CA HIS B 111 8.620 -4.832 -4.475 1.00 0.00 C ATOM 1461 C HIS B 111 8.542 -3.408 -3.937 1.00 0.00 C ATOM 1462 O HIS B 111 8.648 -3.192 -2.730 1.00 0.00 O ATOM 1463 CB HIS B 111 8.263 -5.802 -3.338 1.00 0.00 C ATOM 1464 CG HIS B 111 8.683 -7.220 -3.566 1.00 0.00 C ATOM 1465 ND1 HIS B 111 9.645 -7.962 -2.967 1.00 0.00 N flip ATOM 1466 CD2 HIS B 111 8.097 -8.040 -4.503 1.00 0.00 C flip ATOM 1467 CE1 HIS B 111 9.621 -9.208 -3.549 1.00 0.00 C flip ATOM 1468 NE2 HIS B 111 8.675 -9.227 -4.472 1.00 0.00 N flip ATOM 0 H HIS B 111 10.700 -4.859 -4.267 1.00 0.00 H new ATOM 0 HA HIS B 111 7.922 -4.986 -5.298 1.00 0.00 H new ATOM 0 HB2 HIS B 111 8.724 -5.445 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS B 111 7.184 -5.778 -3.184 1.00 0.00 H new ATOM 0 HD1 HIS B 111 10.271 -7.654 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS B 111 7.289 -7.757 -5.162 1.00 0.00 H new ATOM 0 HE1 HIS B 111 10.268 -10.034 -3.294 1.00 0.00 H new ATOM 1476 N CYS B 112 8.409 -2.429 -4.817 1.00 0.00 N ATOM 1477 CA CYS B 112 8.384 -1.038 -4.376 1.00 0.00 C ATOM 1478 C CYS B 112 6.963 -0.480 -4.255 1.00 0.00 C ATOM 1479 O CYS B 112 6.748 0.714 -4.456 1.00 0.00 O ATOM 1480 CB CYS B 112 9.217 -0.168 -5.325 1.00 0.00 C ATOM 1481 SG CYS B 112 9.865 1.368 -4.572 1.00 0.00 S ATOM 0 H CYS B 112 8.318 -2.564 -5.824 1.00 0.00 H new ATOM 0 HA CYS B 112 8.820 -1.013 -3.377 1.00 0.00 H new ATOM 0 HB2 CYS B 112 10.055 -0.757 -5.697 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.605 0.095 -6.188 1.00 0.00 H new ATOM 1486 N HIS B 113 5.994 -1.319 -3.894 1.00 0.00 N ATOM 1487 CA HIS B 113 4.631 -0.846 -3.725 1.00 0.00 C ATOM 1488 C HIS B 113 4.157 -1.142 -2.296 1.00 0.00 C ATOM 1489 O HIS B 113 4.989 -1.340 -1.406 1.00 0.00 O ATOM 1490 CB HIS B 113 3.700 -1.421 -4.823 1.00 0.00 C ATOM 1491 CG HIS B 113 3.067 -2.762 -4.564 1.00 0.00 C ATOM 1492 ND1 HIS B 113 3.746 -3.852 -4.065 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.798 -3.187 -4.796 1.00 0.00 C ATOM 1494 CE1 HIS B 113 2.925 -4.891 -4.002 1.00 0.00 C ATOM 1495 NE2 HIS B 113 1.736 -4.513 -4.439 1.00 0.00 N ATOM 0 H HIS B 113 6.128 -2.314 -3.716 1.00 0.00 H new ATOM 0 HA HIS B 113 4.596 0.236 -3.855 1.00 0.00 H new ATOM 0 HB2 HIS B 113 2.901 -0.700 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS B 113 4.274 -1.492 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS B 113 0.987 -2.592 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS B 113 3.184 -5.880 -3.653 1.00 0.00 H new ATOM 0 HE2 HIS B 113 0.909 -5.107 -4.501 1.00 0.00 H new ATOM 1503 N GLY B 114 2.849 -1.155 -2.062 1.00 0.00 N ATOM 1504 CA GLY B 114 2.338 -1.419 -0.723 1.00 0.00 C ATOM 1505 C GLY B 114 2.685 -0.317 0.253 1.00 0.00 C ATOM 1506 O GLY B 114 2.743 0.848 -0.126 1.00 0.00 O ATOM 0 H GLY B 114 2.134 -0.989 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.255 -1.535 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.745 -2.363 -0.361 1.00 0.00 H new ATOM 1510 N VAL B 115 2.940 -0.674 1.508 1.00 0.00 N ATOM 1511 CA VAL B 115 3.305 0.318 2.510 1.00 0.00 C ATOM 1512 C VAL B 115 4.767 0.715 2.360 1.00 0.00 C ATOM 1513 O VAL B 115 5.258 1.597 3.060 1.00 0.00 O ATOM 1514 CB VAL B 115 3.048 -0.181 3.949 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.559 -0.204 4.263 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.632 -1.565 4.149 1.00 0.00 C ATOM 0 H VAL B 115 2.901 -1.634 1.852 1.00 0.00 H new ATOM 0 HA VAL B 115 2.670 1.187 2.340 1.00 0.00 H new ATOM 0 HB VAL B 115 3.538 0.514 4.631 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.408 -0.559 5.282 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.151 0.802 4.165 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.051 -0.871 3.567 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.440 -1.897 5.169 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.170 -2.260 3.448 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.707 -1.535 3.974 1.00 0.00 H new ATOM 1526 N CYS B 116 5.462 0.082 1.425 1.00 0.00 N ATOM 1527 CA CYS B 116 6.853 0.415 1.193 1.00 0.00 C ATOM 1528 C CYS B 116 6.940 1.633 0.295 1.00 0.00 C ATOM 1529 O CYS B 116 7.892 2.407 0.374 1.00 0.00 O ATOM 1530 CB CYS B 116 7.628 -0.762 0.602 1.00 0.00 C ATOM 1531 SG CYS B 116 8.789 -1.518 1.784 1.00 0.00 S ATOM 0 H CYS B 116 5.089 -0.654 0.825 1.00 0.00 H new ATOM 0 HA CYS B 116 7.316 0.645 2.152 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.922 -1.519 0.260 1.00 0.00 H new ATOM 0 HB3 CYS B 116 8.180 -0.422 -0.274 1.00 0.00 H new ATOM 1536 N LYS B 117 5.915 1.829 -0.530 1.00 0.00 N ATOM 1537 CA LYS B 117 5.872 2.997 -1.401 1.00 0.00 C ATOM 1538 C LYS B 117 5.300 4.180 -0.625 1.00 0.00 C ATOM 1539 O LYS B 117 5.307 5.314 -1.101 1.00 0.00 O ATOM 1540 CB LYS B 117 5.052 2.737 -2.673 1.00 0.00 C ATOM 1541 CG LYS B 117 3.562 2.525 -2.431 1.00 0.00 C ATOM 1542 CD LYS B 117 2.791 2.413 -3.739 1.00 0.00 C ATOM 1543 CE LYS B 117 2.770 3.743 -4.479 1.00 0.00 C ATOM 1544 NZ LYS B 117 2.155 4.828 -3.666 1.00 0.00 N ATOM 0 H LYS B 117 5.114 1.203 -0.613 1.00 0.00 H new ATOM 0 HA LYS B 117 6.889 3.223 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.181 3.580 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS B 117 5.454 1.858 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS B 117 3.414 1.620 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS B 117 3.167 3.355 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS B 117 3.247 1.650 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS B 117 1.770 2.090 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS B 117 3.789 4.024 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS B 117 2.215 3.630 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 1.913 5.630 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 1.292 4.472 -3.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 2.829 5.142 -2.939 1.00 0.00 H new ATOM 1558 N ASP B 118 4.836 3.902 0.595 1.00 0.00 N ATOM 1559 CA ASP B 118 4.297 4.938 1.467 1.00 0.00 C ATOM 1560 C ASP B 118 5.434 5.886 1.817 1.00 0.00 C ATOM 1561 O ASP B 118 5.310 7.105 1.717 1.00 0.00 O ATOM 1562 CB ASP B 118 3.700 4.309 2.735 1.00 0.00 C ATOM 1563 CG ASP B 118 2.888 5.281 3.563 1.00 0.00 C ATOM 1564 OD1 ASP B 118 2.583 6.382 3.071 1.00 0.00 O ATOM 1565 OD2 ASP B 118 2.514 4.921 4.696 1.00 0.00 O ATOM 0 H ASP B 118 4.824 2.965 0.999 1.00 0.00 H new ATOM 0 HA ASP B 118 3.498 5.483 0.965 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.067 3.468 2.451 1.00 0.00 H new ATOM 0 HB3 ASP B 118 4.508 3.908 3.347 1.00 0.00 H new ATOM 1570 N LEU B 119 6.569 5.294 2.170 1.00 0.00 N ATOM 1571 CA LEU B 119 7.771 6.052 2.477 1.00 0.00 C ATOM 1572 C LEU B 119 8.533 6.300 1.181 1.00 0.00 C ATOM 1573 O LEU B 119 9.164 7.341 1.000 1.00 0.00 O ATOM 1574 CB LEU B 119 8.656 5.282 3.464 1.00 0.00 C ATOM 1575 CG LEU B 119 7.963 4.835 4.757 1.00 0.00 C ATOM 1576 CD1 LEU B 119 8.916 4.042 5.637 1.00 0.00 C ATOM 1577 CD2 LEU B 119 7.429 6.039 5.512 1.00 0.00 C ATOM 0 H LEU B 119 6.680 4.283 2.250 1.00 0.00 H new ATOM 0 HA LEU B 119 7.495 7.001 2.937 1.00 0.00 H new ATOM 0 HB2 LEU B 119 9.051 4.400 2.960 1.00 0.00 H new ATOM 0 HB3 LEU B 119 9.509 5.908 3.726 1.00 0.00 H new ATOM 0 HG LEU B 119 7.128 4.188 4.489 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.401 3.736 6.548 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.257 3.158 5.099 1.00 0.00 H new ATOM 0 HD13 LEU B 119 9.774 4.663 5.896 1.00 0.00 H new ATOM 0 HD21 LEU B 119 6.940 5.707 6.428 1.00 0.00 H new ATOM 0 HD22 LEU B 119 8.254 6.706 5.763 1.00 0.00 H new ATOM 0 HD23 LEU B 119 6.710 6.570 4.888 1.00 0.00 H new ATOM 1589 N HIS B 120 8.436 5.313 0.284 1.00 0.00 N ATOM 1590 CA HIS B 120 9.071 5.341 -1.036 1.00 0.00 C ATOM 1591 C HIS B 120 10.583 5.495 -0.935 1.00 0.00 C ATOM 1592 O HIS B 120 11.129 6.570 -1.191 1.00 0.00 O ATOM 1593 CB HIS B 120 8.482 6.458 -1.903 1.00 0.00 C ATOM 1594 CG HIS B 120 8.092 5.993 -3.270 1.00 0.00 C ATOM 1595 ND1 HIS B 120 8.976 5.395 -4.140 1.00 0.00 N ATOM 1596 CD2 HIS B 120 6.901 6.028 -3.914 1.00 0.00 C ATOM 1597 CE1 HIS B 120 8.350 5.082 -5.260 1.00 0.00 C ATOM 1598 NE2 HIS B 120 7.088 5.457 -5.150 1.00 0.00 N ATOM 0 H HIS B 120 7.906 4.459 0.458 1.00 0.00 H new ATOM 0 HA HIS B 120 8.864 4.382 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS B 120 7.607 6.875 -1.404 1.00 0.00 H new ATOM 0 HB3 HIS B 120 9.211 7.263 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS B 120 5.976 6.430 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS B 120 8.794 4.601 -6.119 1.00 0.00 H new ATOM 0 HE2 HIS B 120 6.370 5.342 -5.865 1.00 0.00 H new ATOM 1606 N LEU B 121 11.261 4.417 -0.564 1.00 0.00 N ATOM 1607 CA LEU B 121 12.702 4.440 -0.433 1.00 0.00 C ATOM 1608 C LEU B 121 13.354 3.237 -1.112 1.00 0.00 C ATOM 1609 O LEU B 121 14.486 2.877 -0.788 1.00 0.00 O ATOM 1610 CB LEU B 121 13.105 4.500 1.044 1.00 0.00 C ATOM 1611 CG LEU B 121 12.047 4.027 2.051 1.00 0.00 C ATOM 1612 CD1 LEU B 121 11.838 2.520 1.966 1.00 0.00 C ATOM 1613 CD2 LEU B 121 12.445 4.433 3.463 1.00 0.00 C ATOM 0 H LEU B 121 10.831 3.517 -0.349 1.00 0.00 H new ATOM 0 HA LEU B 121 13.061 5.337 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU B 121 14.002 3.896 1.180 1.00 0.00 H new ATOM 0 HB3 LEU B 121 13.373 5.529 1.285 1.00 0.00 H new ATOM 0 HG LEU B 121 11.102 4.508 1.800 1.00 0.00 H new ATOM 0 HD11 LEU B 121 11.083 2.216 2.691 1.00 0.00 H new ATOM 0 HD12 LEU B 121 11.505 2.255 0.963 1.00 0.00 H new ATOM 0 HD13 LEU B 121 12.776 2.010 2.183 1.00 0.00 H new ATOM 0 HD21 LEU B 121 11.686 4.092 4.167 1.00 0.00 H new ATOM 0 HD22 LEU B 121 13.404 3.980 3.715 1.00 0.00 H new ATOM 0 HD23 LEU B 121 12.530 5.518 3.519 1.00 0.00 H new ATOM 1625 N CYS B 122 12.651 2.622 -2.058 1.00 0.00 N ATOM 1626 CA CYS B 122 13.196 1.473 -2.774 1.00 0.00 C ATOM 1627 C CYS B 122 13.651 1.873 -4.166 1.00 0.00 C ATOM 1628 O CYS B 122 13.195 2.919 -4.660 1.00 0.00 O ATOM 1629 CB CYS B 122 12.181 0.328 -2.865 1.00 0.00 C ATOM 1630 SG CYS B 122 10.430 0.827 -2.696 1.00 0.00 S ATOM 1631 OXT CYS B 122 14.469 1.144 -4.750 1.00 0.00 O ATOM 0 H CYS B 122 11.711 2.896 -2.345 1.00 0.00 H new ATOM 0 HA CYS B 122 14.056 1.118 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS B 122 12.308 -0.174 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS B 122 12.411 -0.403 -2.090 1.00 0.00 H new TER 1636 CYS B 122