USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -151:sc= -1.76! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.466 K(o=-1.3,f=-4.2!) USER MOD Set 1.3: A 85 CYS SG : rot 156:sc= 0.399 USER MOD Set 1.4: A 88 CYS SG : rot -108:sc= 0.483 USER MOD Set 1.5: A 90 THR OG1 : rot 104:sc= 1.38 USER MOD Set 1.6: A 92 TYR OH : rot -6:sc= -1.34 USER MOD Set 2.1: A 28 CYS SG : rot 130:sc= 1.42 USER MOD Set 2.2: A 31 CYS SG : rot -58:sc= 0.151 USER MOD Set 2.3: A 39 SER OG : rot 41:sc= 1.61! USER MOD Set 2.4: A 66 HIS : no HE2:sc= -7.76! C(o=-4.6!,f=-11!) USER MOD Set 2.5: A 69 CYS SG : rot 11:sc= -0.0225! USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.379 (180deg=-1.38) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 70:sc= -1.72 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 172:sc= 0 (180deg=-0.0863) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -54:sc= -1.19! USER MOD Single : A 47 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00826) USER MOD Single : A 53 MET CE :methyl -108:sc= -1.87 (180deg=-4.74!) USER MOD Single : A 59 THR OG1 : rot -71:sc= 0.0227 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -142:sc= -0.47 (180deg=-1.98!) USER MOD Single : A 74 TYR OH : rot 109:sc= 0.386 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.4!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.901 8.058 -0.837 1.00 0.00 N ATOM 67 CA GLU A 8 -2.960 7.450 -1.770 1.00 0.00 C ATOM 68 C GLU A 8 -3.154 5.937 -1.829 1.00 0.00 C ATOM 69 O GLU A 8 -3.675 5.316 -0.903 1.00 0.00 O ATOM 70 CB GLU A 8 -1.522 7.775 -1.363 1.00 0.00 C ATOM 71 CG GLU A 8 -1.077 9.172 -1.762 1.00 0.00 C ATOM 72 CD GLU A 8 0.223 9.582 -1.098 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.460 9.159 0.053 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.003 10.326 -1.728 1.00 0.00 O ATOM 0 HA GLU A 8 -3.152 7.863 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.426 7.667 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.851 7.046 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.957 9.216 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.857 9.887 -1.498 1.00 0.00 H new ATOM 81 N PRO A 9 -2.726 5.330 -2.946 1.00 0.00 N ATOM 82 CA PRO A 9 -2.842 3.883 -3.154 1.00 0.00 C ATOM 83 C PRO A 9 -1.907 3.090 -2.246 1.00 0.00 C ATOM 84 O PRO A 9 -2.251 2.003 -1.785 1.00 0.00 O ATOM 85 CB PRO A 9 -2.443 3.703 -4.621 1.00 0.00 C ATOM 86 CG PRO A 9 -1.569 4.871 -4.922 1.00 0.00 C ATOM 87 CD PRO A 9 -2.096 6.008 -4.091 1.00 0.00 C ATOM 0 HA PRO A 9 -3.842 3.516 -2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.914 2.763 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.318 3.686 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.530 4.655 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.598 5.117 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.297 6.677 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.814 6.612 -4.645 1.00 0.00 H new ATOM 95 N GLU A 10 -0.724 3.643 -1.995 1.00 0.00 N ATOM 96 CA GLU A 10 0.259 2.986 -1.143 1.00 0.00 C ATOM 97 C GLU A 10 -0.398 2.426 0.115 1.00 0.00 C ATOM 98 O GLU A 10 -0.195 1.264 0.469 1.00 0.00 O ATOM 99 CB GLU A 10 1.369 3.966 -0.758 1.00 0.00 C ATOM 100 CG GLU A 10 2.555 3.947 -1.707 1.00 0.00 C ATOM 101 CD GLU A 10 2.378 4.889 -2.882 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.541 4.593 -3.760 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.076 5.924 -2.922 1.00 0.00 O ATOM 0 H GLU A 10 -0.424 4.543 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 10 0.693 2.159 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.956 4.974 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.716 3.731 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.457 4.220 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.702 2.933 -2.078 1.00 0.00 H new ATOM 110 N GLN A 11 -1.186 3.260 0.786 1.00 0.00 N ATOM 111 CA GLN A 11 -1.872 2.848 2.005 1.00 0.00 C ATOM 112 C GLN A 11 -3.003 1.874 1.690 1.00 0.00 C ATOM 113 O GLN A 11 -3.167 0.858 2.366 1.00 0.00 O ATOM 114 CB GLN A 11 -2.426 4.070 2.740 1.00 0.00 C ATOM 115 CG GLN A 11 -3.281 4.972 1.865 1.00 0.00 C ATOM 116 CD GLN A 11 -3.823 6.172 2.617 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.183 6.683 3.536 1.00 0.00 O ATOM 118 NE2 GLN A 11 -5.008 6.628 2.229 1.00 0.00 N ATOM 0 H GLN A 11 -1.365 4.224 0.506 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.150 2.343 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.020 3.734 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.595 4.650 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.689 5.317 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.113 4.396 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.503 6.173 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.423 7.433 2.698 1.00 0.00 H new ATOM 127 N VAL A 12 -3.781 2.190 0.660 1.00 0.00 N ATOM 128 CA VAL A 12 -4.896 1.342 0.255 1.00 0.00 C ATOM 129 C VAL A 12 -4.466 -0.117 0.148 1.00 0.00 C ATOM 130 O VAL A 12 -5.212 -1.023 0.519 1.00 0.00 O ATOM 131 CB VAL A 12 -5.483 1.794 -1.095 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.525 0.799 -1.584 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.080 3.188 -0.976 1.00 0.00 C ATOM 0 H VAL A 12 -3.660 3.027 0.090 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.662 1.436 1.025 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.677 1.830 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.929 1.135 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.062 -0.180 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.331 0.728 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.490 3.492 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.874 3.181 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.304 3.892 -0.674 1.00 0.00 H new ATOM 143 N ILE A 13 -3.258 -0.336 -0.362 1.00 0.00 N ATOM 144 CA ILE A 13 -2.728 -1.685 -0.517 1.00 0.00 C ATOM 145 C ILE A 13 -2.571 -2.372 0.835 1.00 0.00 C ATOM 146 O ILE A 13 -3.195 -3.401 1.096 1.00 0.00 O ATOM 147 CB ILE A 13 -1.367 -1.675 -1.237 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.500 -1.029 -2.618 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.823 -3.091 -1.359 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.420 -1.783 -3.552 1.00 0.00 C ATOM 0 H ILE A 13 -2.629 0.403 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.446 -2.239 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.665 -1.086 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.871 -0.011 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.512 -0.958 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.140 -3.068 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.696 -3.519 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.523 -3.702 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.466 -1.268 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.039 -2.793 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.419 -1.832 -3.118 1.00 0.00 H new ATOM 162 N ARG A 14 -1.734 -1.795 1.692 1.00 0.00 N ATOM 163 CA ARG A 14 -1.495 -2.352 3.018 1.00 0.00 C ATOM 164 C ARG A 14 -2.804 -2.501 3.789 1.00 0.00 C ATOM 165 O ARG A 14 -3.089 -3.560 4.350 1.00 0.00 O ATOM 166 CB ARG A 14 -0.528 -1.462 3.801 1.00 0.00 C ATOM 167 CG ARG A 14 0.876 -1.431 3.220 1.00 0.00 C ATOM 168 CD ARG A 14 1.593 -2.756 3.423 1.00 0.00 C ATOM 169 NE ARG A 14 2.089 -2.907 4.788 1.00 0.00 N ATOM 170 CZ ARG A 14 3.279 -2.474 5.190 1.00 0.00 C ATOM 171 NH1 ARG A 14 4.090 -1.867 4.335 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.660 -2.648 6.449 1.00 0.00 N ATOM 0 H ARG A 14 -1.211 -0.943 1.492 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.051 -3.340 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.923 -0.447 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.478 -1.813 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.825 -1.203 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.448 -0.631 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.912 -3.575 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.427 -2.828 2.724 1.00 0.00 H new ATOM 0 HE ARG A 14 1.489 -3.370 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.801 -1.732 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.003 -1.535 4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.039 -3.115 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.574 -2.315 6.756 1.00 0.00 H new ATOM 186 N LYS A 15 -3.595 -1.435 3.813 1.00 0.00 N ATOM 187 CA LYS A 15 -4.874 -1.445 4.514 1.00 0.00 C ATOM 188 C LYS A 15 -5.587 -2.781 4.324 1.00 0.00 C ATOM 189 O LYS A 15 -6.333 -3.226 5.197 1.00 0.00 O ATOM 190 CB LYS A 15 -5.763 -0.305 4.013 1.00 0.00 C ATOM 191 CG LYS A 15 -7.188 -0.371 4.535 1.00 0.00 C ATOM 192 CD LYS A 15 -8.174 0.218 3.540 1.00 0.00 C ATOM 193 CE LYS A 15 -8.344 1.716 3.744 1.00 0.00 C ATOM 194 NZ LYS A 15 -7.075 2.457 3.504 1.00 0.00 N ATOM 0 H LYS A 15 -3.373 -0.551 3.355 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.679 -1.304 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.320 0.646 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.783 -0.323 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.453 -1.408 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.256 0.169 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.827 0.025 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.139 -0.277 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.115 2.089 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.689 1.907 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.291 3.406 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.549 2.543 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.497 1.941 2.810 1.00 0.00 H new ATOM 208 N TYR A 16 -5.351 -3.415 3.181 1.00 0.00 N ATOM 209 CA TYR A 16 -5.972 -4.699 2.878 1.00 0.00 C ATOM 210 C TYR A 16 -4.966 -5.837 3.020 1.00 0.00 C ATOM 211 O TYR A 16 -5.334 -6.974 3.320 1.00 0.00 O ATOM 212 CB TYR A 16 -6.549 -4.688 1.461 1.00 0.00 C ATOM 213 CG TYR A 16 -7.601 -3.624 1.245 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.621 -3.430 2.168 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.575 -2.813 0.117 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.585 -2.460 1.973 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.534 -1.840 -0.085 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.537 -1.667 0.845 1.00 0.00 C ATOM 219 OH TYR A 16 -10.495 -0.699 0.649 1.00 0.00 O ATOM 0 H TYR A 16 -4.735 -3.061 2.449 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.780 -4.861 3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.738 -4.536 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.982 -5.665 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.661 -4.048 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.791 -2.946 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.372 -2.323 2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.498 -1.218 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.317 -0.228 -0.192 1.00 0.00 H new ATOM 229 N THR A 17 -3.692 -5.524 2.804 1.00 0.00 N ATOM 230 CA THR A 17 -2.632 -6.518 2.907 1.00 0.00 C ATOM 231 C THR A 17 -1.816 -6.322 4.180 1.00 0.00 C ATOM 232 O THR A 17 -1.369 -5.214 4.476 1.00 0.00 O ATOM 233 CB THR A 17 -1.688 -6.462 1.692 1.00 0.00 C ATOM 234 OG1 THR A 17 -0.984 -5.215 1.676 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.465 -6.627 0.394 1.00 0.00 C ATOM 0 H THR A 17 -3.370 -4.589 2.556 1.00 0.00 H new ATOM 0 HA THR A 17 -3.117 -7.494 2.936 1.00 0.00 H new ATOM 0 HB THR A 17 -0.974 -7.282 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.340 -5.194 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.777 -6.584 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.977 -7.589 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.199 -5.826 0.305 1.00 0.00 H new ATOM 243 N GLU A 18 -1.624 -7.404 4.928 1.00 0.00 N ATOM 244 CA GLU A 18 -0.861 -7.349 6.169 1.00 0.00 C ATOM 245 C GLU A 18 0.548 -7.898 5.966 1.00 0.00 C ATOM 246 O GLU A 18 0.730 -9.087 5.706 1.00 0.00 O ATOM 247 CB GLU A 18 -1.575 -8.139 7.268 1.00 0.00 C ATOM 248 CG GLU A 18 -1.329 -7.595 8.666 1.00 0.00 C ATOM 249 CD GLU A 18 -2.403 -8.012 9.651 1.00 0.00 C ATOM 250 OE1 GLU A 18 -3.110 -9.003 9.373 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.538 -7.347 10.699 1.00 0.00 O ATOM 0 H GLU A 18 -1.986 -8.329 4.696 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.785 -6.305 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.647 -8.135 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.247 -9.178 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.360 -7.943 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.281 -6.507 8.625 1.00 0.00 H new ATOM 258 N GLU A 19 1.541 -7.022 6.086 1.00 0.00 N ATOM 259 CA GLU A 19 2.934 -7.419 5.915 1.00 0.00 C ATOM 260 C GLU A 19 3.300 -8.546 6.876 1.00 0.00 C ATOM 261 O GLU A 19 2.822 -8.591 8.010 1.00 0.00 O ATOM 262 CB GLU A 19 3.860 -6.222 6.138 1.00 0.00 C ATOM 263 CG GLU A 19 5.312 -6.502 5.788 1.00 0.00 C ATOM 264 CD GLU A 19 6.279 -5.652 6.588 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.452 -5.926 7.794 1.00 0.00 O ATOM 266 OE2 GLU A 19 6.862 -4.712 6.010 1.00 0.00 O ATOM 0 H GLU A 19 1.407 -6.034 6.301 1.00 0.00 H new ATOM 0 HA GLU A 19 3.060 -7.780 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.506 -5.383 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.799 -5.916 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.528 -7.556 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.467 -6.319 4.725 1.00 0.00 H new ATOM 273 N LEU A 20 4.152 -9.455 6.415 1.00 0.00 N ATOM 274 CA LEU A 20 4.584 -10.584 7.233 1.00 0.00 C ATOM 275 C LEU A 20 6.080 -10.508 7.519 1.00 0.00 C ATOM 276 O LEU A 20 6.876 -10.179 6.639 1.00 0.00 O ATOM 277 CB LEU A 20 4.254 -11.903 6.532 1.00 0.00 C ATOM 278 CG LEU A 20 2.870 -11.993 5.889 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.682 -13.342 5.213 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.783 -11.759 6.928 1.00 0.00 C ATOM 0 H LEU A 20 4.558 -9.433 5.479 1.00 0.00 H new ATOM 0 HA LEU A 20 4.049 -10.540 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.003 -12.079 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.349 -12.711 7.258 1.00 0.00 H new ATOM 0 HG LEU A 20 2.792 -11.215 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.691 -13.388 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.440 -13.470 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.780 -14.136 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.805 -11.827 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.859 -12.514 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.906 -10.769 7.366 1.00 0.00 H new ATOM 292 N LYS A 21 6.457 -10.816 8.756 1.00 0.00 N ATOM 293 CA LYS A 21 7.858 -10.786 9.159 1.00 0.00 C ATOM 294 C LYS A 21 8.752 -11.350 8.060 1.00 0.00 C ATOM 295 O LYS A 21 9.848 -10.844 7.816 1.00 0.00 O ATOM 296 CB LYS A 21 8.055 -11.583 10.451 1.00 0.00 C ATOM 297 CG LYS A 21 9.342 -11.245 11.183 1.00 0.00 C ATOM 298 CD LYS A 21 9.278 -9.863 11.813 1.00 0.00 C ATOM 299 CE LYS A 21 8.381 -9.851 13.041 1.00 0.00 C ATOM 300 NZ LYS A 21 7.767 -8.513 13.266 1.00 0.00 N ATOM 0 H LYS A 21 5.811 -11.089 9.497 1.00 0.00 H new ATOM 0 HA LYS A 21 8.138 -9.747 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.210 -11.398 11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.049 -12.647 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.529 -11.990 11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.180 -11.291 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.282 -9.542 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.905 -9.146 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.594 -10.596 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.962 -10.136 13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.163 -8.546 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.517 -7.806 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.192 -8.252 12.440 1.00 0.00 H new ATOM 314 N VAL A 22 8.278 -12.401 7.398 1.00 0.00 N ATOM 315 CA VAL A 22 9.034 -13.032 6.323 1.00 0.00 C ATOM 316 C VAL A 22 8.106 -13.555 5.232 1.00 0.00 C ATOM 317 O VAL A 22 7.063 -14.142 5.519 1.00 0.00 O ATOM 318 CB VAL A 22 9.895 -14.195 6.850 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.593 -14.907 5.700 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.907 -13.690 7.867 1.00 0.00 C ATOM 0 H VAL A 22 7.374 -12.833 7.588 1.00 0.00 H new ATOM 0 HA VAL A 22 9.687 -12.267 5.904 1.00 0.00 H new ATOM 0 HB VAL A 22 9.241 -14.912 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.197 -15.726 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.847 -15.304 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.236 -14.202 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.507 -14.525 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.558 -12.952 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.383 -13.230 8.705 1.00 0.00 H new ATOM 330 N ALA A 23 8.493 -13.338 3.979 1.00 0.00 N ATOM 331 CA ALA A 23 7.698 -13.790 2.844 1.00 0.00 C ATOM 332 C ALA A 23 7.292 -15.251 3.005 1.00 0.00 C ATOM 333 O ALA A 23 8.106 -16.113 3.338 1.00 0.00 O ATOM 334 CB ALA A 23 8.469 -13.593 1.548 1.00 0.00 C ATOM 0 H ALA A 23 9.353 -12.852 3.724 1.00 0.00 H new ATOM 0 HA ALA A 23 6.789 -13.190 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.863 -13.935 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.702 -12.536 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.395 -14.167 1.585 1.00 0.00 H new ATOM 340 N PRO A 24 6.004 -15.538 2.765 1.00 0.00 N ATOM 341 CA PRO A 24 5.462 -16.895 2.877 1.00 0.00 C ATOM 342 C PRO A 24 5.975 -17.818 1.776 1.00 0.00 C ATOM 343 O PRO A 24 6.721 -17.391 0.895 1.00 0.00 O ATOM 344 CB PRO A 24 3.952 -16.686 2.739 1.00 0.00 C ATOM 345 CG PRO A 24 3.814 -15.422 1.963 1.00 0.00 C ATOM 346 CD PRO A 24 4.979 -14.560 2.364 1.00 0.00 C ATOM 0 HA PRO A 24 5.757 -17.375 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.482 -17.522 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.473 -16.606 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.825 -15.619 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.868 -14.928 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.320 -13.936 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.720 -13.890 3.184 1.00 0.00 H new ATOM 354 N GLU A 25 5.570 -19.082 1.833 1.00 0.00 N ATOM 355 CA GLU A 25 5.990 -20.064 0.840 1.00 0.00 C ATOM 356 C GLU A 25 5.009 -20.110 -0.328 1.00 0.00 C ATOM 357 O GLU A 25 4.823 -21.153 -0.954 1.00 0.00 O ATOM 358 CB GLU A 25 6.106 -21.450 1.478 1.00 0.00 C ATOM 359 CG GLU A 25 7.332 -21.613 2.360 1.00 0.00 C ATOM 360 CD GLU A 25 7.292 -22.883 3.187 1.00 0.00 C ATOM 361 OE1 GLU A 25 7.307 -23.980 2.590 1.00 0.00 O ATOM 362 OE2 GLU A 25 7.245 -22.780 4.431 1.00 0.00 O ATOM 0 H GLU A 25 4.952 -19.451 2.556 1.00 0.00 H new ATOM 0 HA GLU A 25 6.967 -19.764 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.213 -21.643 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.133 -22.202 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.226 -21.619 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.413 -20.753 3.025 1.00 0.00 H new ATOM 369 N GLU A 26 4.384 -18.972 -0.614 1.00 0.00 N ATOM 370 CA GLU A 26 3.421 -18.884 -1.705 1.00 0.00 C ATOM 371 C GLU A 26 4.095 -18.405 -2.988 1.00 0.00 C ATOM 372 O GLU A 26 5.313 -18.234 -3.035 1.00 0.00 O ATOM 373 CB GLU A 26 2.279 -17.936 -1.332 1.00 0.00 C ATOM 374 CG GLU A 26 1.332 -18.506 -0.289 1.00 0.00 C ATOM 375 CD GLU A 26 -0.083 -17.983 -0.438 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.511 -17.752 -1.588 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.762 -17.806 0.595 1.00 0.00 O ATOM 0 H GLU A 26 4.527 -18.099 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 26 3.015 -19.881 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.700 -17.003 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.712 -17.692 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.324 -19.593 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.703 -18.261 0.706 1.00 0.00 H new ATOM 384 N ASP A 27 3.294 -18.190 -4.025 1.00 0.00 N ATOM 385 CA ASP A 27 3.811 -17.730 -5.309 1.00 0.00 C ATOM 386 C ASP A 27 2.941 -16.613 -5.877 1.00 0.00 C ATOM 387 O ASP A 27 1.716 -16.732 -5.930 1.00 0.00 O ATOM 388 CB ASP A 27 3.883 -18.892 -6.300 1.00 0.00 C ATOM 389 CG ASP A 27 4.245 -20.203 -5.630 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.387 -20.323 -5.140 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.386 -21.108 -5.596 1.00 0.00 O ATOM 0 H ASP A 27 2.283 -18.327 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 27 4.815 -17.337 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.921 -18.997 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.621 -18.664 -7.069 1.00 0.00 H new ATOM 396 N CYS A 28 3.581 -15.528 -6.300 1.00 0.00 N ATOM 397 CA CYS A 28 2.866 -14.389 -6.863 1.00 0.00 C ATOM 398 C CYS A 28 2.541 -14.624 -8.336 1.00 0.00 C ATOM 399 O CYS A 28 3.428 -14.919 -9.138 1.00 0.00 O ATOM 400 CB CYS A 28 3.697 -13.113 -6.710 1.00 0.00 C ATOM 401 SG CYS A 28 3.118 -11.722 -7.734 1.00 0.00 S ATOM 0 H CYS A 28 4.594 -15.414 -6.263 1.00 0.00 H new ATOM 0 HA CYS A 28 1.930 -14.273 -6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.687 -12.809 -5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.733 -13.334 -6.968 1.00 0.00 H new ATOM 0 HG CYS A 28 2.999 -10.659 -6.995 1.00 0.00 H new ATOM 406 N ILE A 29 1.266 -14.492 -8.683 1.00 0.00 N ATOM 407 CA ILE A 29 0.824 -14.688 -10.058 1.00 0.00 C ATOM 408 C ILE A 29 0.993 -13.413 -10.877 1.00 0.00 C ATOM 409 O ILE A 29 1.292 -13.465 -12.070 1.00 0.00 O ATOM 410 CB ILE A 29 -0.649 -15.132 -10.118 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.540 -14.116 -9.399 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.812 -16.515 -9.504 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.992 -14.184 -9.818 1.00 0.00 C ATOM 0 H ILE A 29 0.520 -14.250 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 29 1.449 -15.474 -10.481 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.955 -15.182 -11.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.472 -14.282 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.161 -13.112 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.859 -16.814 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.203 -17.232 -10.055 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.491 -16.491 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.565 -13.437 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.072 -13.988 -10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.387 -15.176 -9.600 1.00 0.00 H new ATOM 425 N ILE A 30 0.802 -12.270 -10.228 1.00 0.00 N ATOM 426 CA ILE A 30 0.936 -10.981 -10.896 1.00 0.00 C ATOM 427 C ILE A 30 2.245 -10.899 -11.674 1.00 0.00 C ATOM 428 O ILE A 30 2.293 -10.347 -12.773 1.00 0.00 O ATOM 429 CB ILE A 30 0.876 -9.817 -9.890 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.428 -9.870 -9.092 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.006 -8.484 -10.613 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.358 -9.140 -7.769 1.00 0.00 C ATOM 0 H ILE A 30 0.554 -12.210 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 30 0.098 -10.895 -11.588 1.00 0.00 H new ATOM 0 HB ILE A 30 1.710 -9.915 -9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.230 -9.440 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.690 -10.912 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.962 -7.671 -9.888 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.959 -8.448 -11.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.191 -8.377 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.318 -9.220 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.421 -9.584 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.127 -8.089 -7.945 1.00 0.00 H new ATOM 444 N CYS A 31 3.306 -11.454 -11.097 1.00 0.00 N ATOM 445 CA CYS A 31 4.616 -11.445 -11.735 1.00 0.00 C ATOM 446 C CYS A 31 5.099 -12.868 -12.004 1.00 0.00 C ATOM 447 O CYS A 31 6.070 -13.077 -12.731 1.00 0.00 O ATOM 448 CB CYS A 31 5.630 -10.708 -10.857 1.00 0.00 C ATOM 449 SG CYS A 31 6.073 -11.595 -9.329 1.00 0.00 S ATOM 0 H CYS A 31 3.283 -11.916 -10.188 1.00 0.00 H new ATOM 0 HA CYS A 31 4.525 -10.924 -12.688 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.536 -10.531 -11.437 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.224 -9.731 -10.593 1.00 0.00 H new ATOM 0 HG CYS A 31 4.999 -11.822 -8.632 1.00 0.00 H new ATOM 454 N MET A 32 4.415 -13.841 -11.412 1.00 0.00 N ATOM 455 CA MET A 32 4.773 -15.243 -11.590 1.00 0.00 C ATOM 456 C MET A 32 6.176 -15.518 -11.056 1.00 0.00 C ATOM 457 O MET A 32 6.986 -16.164 -11.719 1.00 0.00 O ATOM 458 CB MET A 32 4.692 -15.630 -13.068 1.00 0.00 C ATOM 459 CG MET A 32 3.278 -15.611 -13.624 1.00 0.00 C ATOM 460 SD MET A 32 3.234 -15.803 -15.417 1.00 0.00 S ATOM 461 CE MET A 32 3.742 -17.512 -15.587 1.00 0.00 C ATOM 0 H MET A 32 3.610 -13.685 -10.805 1.00 0.00 H new ATOM 0 HA MET A 32 4.063 -15.847 -11.025 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.311 -14.946 -13.649 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.111 -16.628 -13.197 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.699 -16.411 -13.162 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.797 -14.672 -13.351 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.628 -17.824 -16.625 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.786 -17.612 -15.291 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.122 -18.141 -14.949 1.00 0.00 H new ATOM 471 N GLU A 33 6.455 -15.022 -9.855 1.00 0.00 N ATOM 472 CA GLU A 33 7.760 -15.214 -9.234 1.00 0.00 C ATOM 473 C GLU A 33 7.615 -15.543 -7.751 1.00 0.00 C ATOM 474 O GLU A 33 6.850 -14.899 -7.032 1.00 0.00 O ATOM 475 CB GLU A 33 8.621 -13.961 -9.408 1.00 0.00 C ATOM 476 CG GLU A 33 8.854 -13.579 -10.860 1.00 0.00 C ATOM 477 CD GLU A 33 10.074 -14.257 -11.453 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.095 -14.370 -10.743 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.006 -14.676 -12.628 1.00 0.00 O ATOM 0 H GLU A 33 5.795 -14.484 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 33 8.249 -16.054 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.142 -13.127 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.584 -14.123 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.975 -13.844 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.972 -12.498 -10.933 1.00 0.00 H new ATOM 486 N LYS A 34 8.354 -16.550 -7.300 1.00 0.00 N ATOM 487 CA LYS A 34 8.310 -16.967 -5.903 1.00 0.00 C ATOM 488 C LYS A 34 8.541 -15.779 -4.974 1.00 0.00 C ATOM 489 O LYS A 34 9.587 -15.131 -5.027 1.00 0.00 O ATOM 490 CB LYS A 34 9.360 -18.048 -5.638 1.00 0.00 C ATOM 491 CG LYS A 34 8.856 -19.459 -5.889 1.00 0.00 C ATOM 492 CD LYS A 34 9.993 -20.400 -6.253 1.00 0.00 C ATOM 493 CE LYS A 34 10.859 -20.721 -5.044 1.00 0.00 C ATOM 494 NZ LYS A 34 11.857 -21.785 -5.344 1.00 0.00 N ATOM 0 H LYS A 34 8.992 -17.093 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 34 7.320 -17.376 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.228 -17.863 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.697 -17.970 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.347 -19.829 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.121 -19.446 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.585 -21.323 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.607 -19.947 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.377 -19.819 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.225 -21.041 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.427 -21.975 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.363 -22.654 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.479 -21.470 -6.116 1.00 0.00 H new ATOM 508 N LEU A 35 7.561 -15.500 -4.122 1.00 0.00 N ATOM 509 CA LEU A 35 7.659 -14.392 -3.179 1.00 0.00 C ATOM 510 C LEU A 35 9.055 -14.317 -2.569 1.00 0.00 C ATOM 511 O LEU A 35 9.507 -13.249 -2.157 1.00 0.00 O ATOM 512 CB LEU A 35 6.614 -14.543 -2.073 1.00 0.00 C ATOM 513 CG LEU A 35 5.154 -14.557 -2.526 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.252 -15.052 -1.406 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.725 -13.170 -2.985 1.00 0.00 C ATOM 0 H LEU A 35 6.689 -16.026 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 35 7.471 -13.467 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.815 -15.469 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.745 -13.727 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 35 5.062 -15.242 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.217 -15.055 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.544 -16.064 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.348 -14.393 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.683 -13.198 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.833 -12.464 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.351 -12.853 -3.819 1.00 0.00 H new ATOM 527 N ALA A 36 9.734 -15.459 -2.517 1.00 0.00 N ATOM 528 CA ALA A 36 11.080 -15.522 -1.961 1.00 0.00 C ATOM 529 C ALA A 36 12.004 -14.521 -2.646 1.00 0.00 C ATOM 530 O ALA A 36 12.783 -13.830 -1.989 1.00 0.00 O ATOM 531 CB ALA A 36 11.638 -16.932 -2.090 1.00 0.00 C ATOM 0 H ALA A 36 9.374 -16.352 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 36 11.023 -15.260 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.644 -16.965 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.997 -17.628 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.674 -17.214 -3.142 1.00 0.00 H new ATOM 537 N VAL A 37 11.913 -14.447 -3.970 1.00 0.00 N ATOM 538 CA VAL A 37 12.740 -13.530 -4.744 1.00 0.00 C ATOM 539 C VAL A 37 12.110 -12.144 -4.810 1.00 0.00 C ATOM 540 O VAL A 37 10.995 -11.934 -4.333 1.00 0.00 O ATOM 541 CB VAL A 37 12.965 -14.049 -6.176 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.628 -15.418 -6.151 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.648 -14.100 -6.937 1.00 0.00 C ATOM 0 H VAL A 37 11.274 -15.012 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 37 13.701 -13.465 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 37 13.632 -13.359 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.779 -15.768 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.591 -15.347 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.990 -16.122 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.826 -14.469 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.956 -14.768 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.217 -13.100 -6.987 1.00 0.00 H new ATOM 553 N ALA A 38 12.831 -11.200 -5.406 1.00 0.00 N ATOM 554 CA ALA A 38 12.341 -9.833 -5.537 1.00 0.00 C ATOM 555 C ALA A 38 11.053 -9.788 -6.352 1.00 0.00 C ATOM 556 O ALA A 38 10.643 -10.789 -6.940 1.00 0.00 O ATOM 557 CB ALA A 38 13.403 -8.951 -6.176 1.00 0.00 C ATOM 0 H ALA A 38 13.756 -11.357 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 38 12.122 -9.454 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.024 -7.933 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.298 -8.950 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.649 -9.337 -7.165 1.00 0.00 H new ATOM 563 N SER A 39 10.418 -8.620 -6.383 1.00 0.00 N ATOM 564 CA SER A 39 9.174 -8.446 -7.123 1.00 0.00 C ATOM 565 C SER A 39 9.448 -8.258 -8.612 1.00 0.00 C ATOM 566 O SER A 39 10.531 -7.827 -9.005 1.00 0.00 O ATOM 567 CB SER A 39 8.398 -7.244 -6.580 1.00 0.00 C ATOM 568 OG SER A 39 7.238 -6.993 -7.356 1.00 0.00 O ATOM 0 H SER A 39 10.745 -7.781 -5.904 1.00 0.00 H new ATOM 0 HA SER A 39 8.574 -9.347 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.113 -7.429 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.039 -6.362 -6.582 1.00 0.00 H new ATOM 0 HG SER A 39 6.811 -7.843 -7.591 1.00 0.00 H new ATOM 574 N GLY A 40 8.458 -8.586 -9.436 1.00 0.00 N ATOM 575 CA GLY A 40 8.611 -8.448 -10.872 1.00 0.00 C ATOM 576 C GLY A 40 8.643 -6.998 -11.315 1.00 0.00 C ATOM 577 O GLY A 40 9.435 -6.623 -12.179 1.00 0.00 O ATOM 0 H GLY A 40 7.552 -8.945 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.531 -8.941 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.789 -8.960 -11.373 1.00 0.00 H new ATOM 581 N TYR A 41 7.778 -6.182 -10.723 1.00 0.00 N ATOM 582 CA TYR A 41 7.707 -4.766 -11.064 1.00 0.00 C ATOM 583 C TYR A 41 8.704 -3.956 -10.240 1.00 0.00 C ATOM 584 O TYR A 41 8.670 -2.726 -10.238 1.00 0.00 O ATOM 585 CB TYR A 41 6.291 -4.235 -10.837 1.00 0.00 C ATOM 586 CG TYR A 41 5.237 -4.958 -11.645 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.813 -6.232 -11.290 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.664 -4.365 -12.764 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.850 -6.896 -12.026 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.700 -5.020 -13.505 1.00 0.00 C ATOM 591 CZ TYR A 41 3.297 -6.286 -13.133 1.00 0.00 C ATOM 592 OH TYR A 41 2.337 -6.943 -13.868 1.00 0.00 O ATOM 0 H TYR A 41 7.116 -6.477 -10.005 1.00 0.00 H new ATOM 0 HA TYR A 41 7.963 -4.660 -12.118 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.046 -4.318 -9.778 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.265 -3.175 -11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.243 -6.712 -10.424 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.978 -3.375 -13.059 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.532 -7.887 -11.736 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.264 -4.544 -14.371 1.00 0.00 H new ATOM 0 HH TYR A 41 2.050 -6.375 -14.614 1.00 0.00 H new ATOM 602 N SER A 42 9.591 -4.657 -9.542 1.00 0.00 N ATOM 603 CA SER A 42 10.597 -4.005 -8.710 1.00 0.00 C ATOM 604 C SER A 42 11.145 -2.759 -9.399 1.00 0.00 C ATOM 605 O SER A 42 11.312 -1.713 -8.772 1.00 0.00 O ATOM 606 CB SER A 42 11.739 -4.975 -8.400 1.00 0.00 C ATOM 607 OG SER A 42 12.744 -4.347 -7.623 1.00 0.00 O ATOM 0 H SER A 42 9.634 -5.676 -9.535 1.00 0.00 H new ATOM 0 HA SER A 42 10.123 -3.704 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.350 -5.841 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.171 -5.343 -9.331 1.00 0.00 H new ATOM 0 HG SER A 42 13.462 -4.988 -7.437 1.00 0.00 H new ATOM 613 N ASP A 43 11.425 -2.880 -10.692 1.00 0.00 N ATOM 614 CA ASP A 43 11.954 -1.764 -11.467 1.00 0.00 C ATOM 615 C ASP A 43 10.836 -0.816 -11.888 1.00 0.00 C ATOM 616 O ASP A 43 10.903 0.388 -11.639 1.00 0.00 O ATOM 617 CB ASP A 43 12.695 -2.279 -12.702 1.00 0.00 C ATOM 618 CG ASP A 43 12.115 -3.579 -13.224 1.00 0.00 C ATOM 619 OD1 ASP A 43 10.884 -3.762 -13.124 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.893 -4.414 -13.733 1.00 0.00 O ATOM 0 H ASP A 43 11.294 -3.740 -11.225 1.00 0.00 H new ATOM 0 HA ASP A 43 12.653 -1.215 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.654 -1.525 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.747 -2.426 -12.456 1.00 0.00 H new ATOM 625 N MET A 44 9.809 -1.367 -12.527 1.00 0.00 N ATOM 626 CA MET A 44 8.676 -0.570 -12.982 1.00 0.00 C ATOM 627 C MET A 44 8.179 0.352 -11.873 1.00 0.00 C ATOM 628 O MET A 44 7.662 1.438 -12.138 1.00 0.00 O ATOM 629 CB MET A 44 7.540 -1.481 -13.452 1.00 0.00 C ATOM 630 CG MET A 44 6.239 -0.741 -13.719 1.00 0.00 C ATOM 631 SD MET A 44 6.105 -0.166 -15.423 1.00 0.00 S ATOM 632 CE MET A 44 4.526 -0.867 -15.894 1.00 0.00 C ATOM 0 H MET A 44 9.738 -2.362 -12.741 1.00 0.00 H new ATOM 0 HA MET A 44 9.009 0.044 -13.819 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.850 -1.995 -14.362 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.364 -2.248 -12.698 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.399 -1.398 -13.494 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.166 0.112 -13.045 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.302 -0.598 -16.926 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.568 -1.952 -15.802 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.746 -0.478 -15.240 1.00 0.00 H new ATOM 642 N THR A 45 8.339 -0.087 -10.629 1.00 0.00 N ATOM 643 CA THR A 45 7.905 0.697 -9.480 1.00 0.00 C ATOM 644 C THR A 45 9.088 1.080 -8.597 1.00 0.00 C ATOM 645 O THR A 45 9.984 0.270 -8.358 1.00 0.00 O ATOM 646 CB THR A 45 6.874 -0.071 -8.632 1.00 0.00 C ATOM 647 OG1 THR A 45 7.405 -1.344 -8.249 1.00 0.00 O ATOM 648 CG2 THR A 45 5.578 -0.268 -9.404 1.00 0.00 C ATOM 0 H THR A 45 8.766 -0.982 -10.391 1.00 0.00 H new ATOM 0 HA THR A 45 7.440 1.601 -9.873 1.00 0.00 H new ATOM 0 HB THR A 45 6.661 0.517 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.707 -1.826 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.865 -0.813 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.161 0.704 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.778 -0.836 -10.312 1.00 0.00 H new ATOM 656 N ASP A 46 9.084 2.317 -8.115 1.00 0.00 N ATOM 657 CA ASP A 46 10.156 2.807 -7.256 1.00 0.00 C ATOM 658 C ASP A 46 9.590 3.490 -6.015 1.00 0.00 C ATOM 659 O ASP A 46 10.041 4.568 -5.628 1.00 0.00 O ATOM 660 CB ASP A 46 11.051 3.780 -8.026 1.00 0.00 C ATOM 661 CG ASP A 46 10.300 4.516 -9.118 1.00 0.00 C ATOM 662 OD1 ASP A 46 9.146 4.924 -8.874 1.00 0.00 O ATOM 663 OD2 ASP A 46 10.868 4.685 -10.217 1.00 0.00 O ATOM 0 H ASP A 46 8.350 3.000 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 46 10.752 1.952 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.478 4.504 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.883 3.232 -8.467 1.00 0.00 H new ATOM 668 N SER A 47 8.599 2.856 -5.397 1.00 0.00 N ATOM 669 CA SER A 47 7.967 3.405 -4.203 1.00 0.00 C ATOM 670 C SER A 47 8.957 3.463 -3.043 1.00 0.00 C ATOM 671 O SER A 47 9.980 2.779 -3.050 1.00 0.00 O ATOM 672 CB SER A 47 6.752 2.564 -3.810 1.00 0.00 C ATOM 673 OG SER A 47 6.122 3.086 -2.654 1.00 0.00 O ATOM 0 H SER A 47 8.216 1.962 -5.703 1.00 0.00 H new ATOM 0 HA SER A 47 7.639 4.419 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.041 2.539 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.062 1.535 -3.626 1.00 0.00 H new ATOM 0 HG SER A 47 5.347 2.531 -2.425 1.00 0.00 H new ATOM 679 N LYS A 48 8.644 4.285 -2.047 1.00 0.00 N ATOM 680 CA LYS A 48 9.502 4.433 -0.878 1.00 0.00 C ATOM 681 C LYS A 48 9.002 3.572 0.277 1.00 0.00 C ATOM 682 O LYS A 48 9.776 2.857 0.912 1.00 0.00 O ATOM 683 CB LYS A 48 9.563 5.900 -0.447 1.00 0.00 C ATOM 684 CG LYS A 48 10.799 6.245 0.365 1.00 0.00 C ATOM 685 CD LYS A 48 12.000 6.503 -0.529 1.00 0.00 C ATOM 686 CE LYS A 48 13.229 6.882 0.283 1.00 0.00 C ATOM 687 NZ LYS A 48 13.790 5.714 1.017 1.00 0.00 N ATOM 0 H LYS A 48 7.801 4.859 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 48 10.504 4.099 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.534 6.532 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.675 6.134 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.601 7.128 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.024 5.429 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.213 5.612 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.766 7.303 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.990 7.294 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.967 7.666 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.655 6.001 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.091 5.368 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.016 4.956 0.342 1.00 0.00 H new ATOM 701 N ALA A 49 7.702 3.646 0.544 1.00 0.00 N ATOM 702 CA ALA A 49 7.097 2.871 1.620 1.00 0.00 C ATOM 703 C ALA A 49 7.045 1.388 1.267 1.00 0.00 C ATOM 704 O ALA A 49 7.414 0.534 2.073 1.00 0.00 O ATOM 705 CB ALA A 49 5.701 3.392 1.927 1.00 0.00 C ATOM 0 H ALA A 49 7.047 4.235 0.029 1.00 0.00 H new ATOM 0 HA ALA A 49 7.718 2.984 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.262 2.803 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.761 4.437 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.078 3.310 1.036 1.00 0.00 H new ATOM 711 N LEU A 50 6.584 1.089 0.057 1.00 0.00 N ATOM 712 CA LEU A 50 6.482 -0.291 -0.403 1.00 0.00 C ATOM 713 C LEU A 50 7.835 -0.805 -0.887 1.00 0.00 C ATOM 714 O LEU A 50 8.720 -0.023 -1.232 1.00 0.00 O ATOM 715 CB LEU A 50 5.451 -0.400 -1.527 1.00 0.00 C ATOM 716 CG LEU A 50 3.988 -0.227 -1.115 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.105 -0.060 -2.342 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.526 -1.412 -0.280 1.00 0.00 C ATOM 0 H LEU A 50 6.275 1.784 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 50 6.160 -0.905 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.686 0.350 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.561 -1.375 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 50 3.905 0.674 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.068 0.062 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.422 0.821 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.192 -0.943 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.483 -1.272 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.624 -2.328 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.140 -1.486 0.618 1.00 0.00 H new ATOM 730 N GLY A 51 7.986 -2.126 -0.911 1.00 0.00 N ATOM 731 CA GLY A 51 9.232 -2.721 -1.357 1.00 0.00 C ATOM 732 C GLY A 51 9.016 -3.994 -2.150 1.00 0.00 C ATOM 733 O GLY A 51 8.025 -4.703 -1.969 1.00 0.00 O ATOM 0 H GLY A 51 7.268 -2.794 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.775 -2.002 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.858 -2.938 -0.491 1.00 0.00 H new ATOM 737 N PRO A 52 9.958 -4.300 -3.055 1.00 0.00 N ATOM 738 CA PRO A 52 9.887 -5.497 -3.898 1.00 0.00 C ATOM 739 C PRO A 52 10.096 -6.780 -3.101 1.00 0.00 C ATOM 740 O PRO A 52 9.528 -7.823 -3.426 1.00 0.00 O ATOM 741 CB PRO A 52 11.029 -5.295 -4.897 1.00 0.00 C ATOM 742 CG PRO A 52 11.994 -4.404 -4.194 1.00 0.00 C ATOM 743 CD PRO A 52 11.165 -3.501 -3.324 1.00 0.00 C ATOM 0 HA PRO A 52 8.909 -5.610 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.491 -6.244 -5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.671 -4.840 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.697 -4.984 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.583 -3.827 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.687 -3.240 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.924 -2.566 -3.830 1.00 0.00 H new ATOM 751 N MET A 53 10.915 -6.697 -2.058 1.00 0.00 N ATOM 752 CA MET A 53 11.197 -7.852 -1.214 1.00 0.00 C ATOM 753 C MET A 53 10.077 -8.074 -0.203 1.00 0.00 C ATOM 754 O MET A 53 9.691 -9.210 0.072 1.00 0.00 O ATOM 755 CB MET A 53 12.528 -7.665 -0.484 1.00 0.00 C ATOM 756 CG MET A 53 13.728 -8.171 -1.269 1.00 0.00 C ATOM 757 SD MET A 53 14.144 -9.880 -0.876 1.00 0.00 S ATOM 758 CE MET A 53 13.073 -10.759 -2.012 1.00 0.00 C ATOM 0 H MET A 53 11.395 -5.842 -1.777 1.00 0.00 H new ATOM 0 HA MET A 53 11.263 -8.731 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.667 -6.606 -0.265 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.484 -8.185 0.473 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.521 -8.088 -2.336 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.588 -7.535 -1.061 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.262 -11.230 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.658 -10.058 -2.737 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.647 -11.524 -2.535 1.00 0.00 H new ATOM 768 N VAL A 54 9.558 -6.981 0.348 1.00 0.00 N ATOM 769 CA VAL A 54 8.481 -7.056 1.329 1.00 0.00 C ATOM 770 C VAL A 54 7.256 -7.752 0.747 1.00 0.00 C ATOM 771 O VAL A 54 6.922 -7.569 -0.424 1.00 0.00 O ATOM 772 CB VAL A 54 8.075 -5.656 1.825 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.517 -4.824 0.680 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.065 -5.764 2.957 1.00 0.00 C ATOM 0 H VAL A 54 9.866 -6.033 0.132 1.00 0.00 H new ATOM 0 HA VAL A 54 8.859 -7.636 2.171 1.00 0.00 H new ATOM 0 HB VAL A 54 8.964 -5.154 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.236 -3.838 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.275 -4.718 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.640 -5.319 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.789 -4.765 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.176 -6.285 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.505 -6.319 3.786 1.00 0.00 H new ATOM 784 N VAL A 55 6.588 -8.551 1.573 1.00 0.00 N ATOM 785 CA VAL A 55 5.398 -9.274 1.141 1.00 0.00 C ATOM 786 C VAL A 55 4.359 -9.337 2.255 1.00 0.00 C ATOM 787 O VAL A 55 4.700 -9.464 3.430 1.00 0.00 O ATOM 788 CB VAL A 55 5.743 -10.707 0.695 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.504 -11.415 0.167 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.844 -10.688 -0.355 1.00 0.00 C ATOM 0 H VAL A 55 6.851 -8.714 2.545 1.00 0.00 H new ATOM 0 HA VAL A 55 4.986 -8.727 0.293 1.00 0.00 H new ATOM 0 HB VAL A 55 6.107 -11.260 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.767 -12.426 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.749 -11.461 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.107 -10.865 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.075 -11.709 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.510 -10.118 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.737 -10.223 0.063 1.00 0.00 H new ATOM 800 N GLY A 56 3.087 -9.246 1.877 1.00 0.00 N ATOM 801 CA GLY A 56 2.017 -9.295 2.855 1.00 0.00 C ATOM 802 C GLY A 56 0.806 -10.056 2.353 1.00 0.00 C ATOM 803 O GLY A 56 0.519 -10.059 1.156 1.00 0.00 O ATOM 0 H GLY A 56 2.779 -9.139 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.384 -9.764 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.721 -8.279 3.116 1.00 0.00 H new ATOM 807 N ARG A 57 0.095 -10.705 3.270 1.00 0.00 N ATOM 808 CA ARG A 57 -1.089 -11.476 2.913 1.00 0.00 C ATOM 809 C ARG A 57 -2.359 -10.660 3.142 1.00 0.00 C ATOM 810 O ARG A 57 -2.492 -9.971 4.154 1.00 0.00 O ATOM 811 CB ARG A 57 -1.147 -12.769 3.728 1.00 0.00 C ATOM 812 CG ARG A 57 -0.456 -13.944 3.056 1.00 0.00 C ATOM 813 CD ARG A 57 -0.761 -15.252 3.770 1.00 0.00 C ATOM 814 NE ARG A 57 -0.004 -15.387 5.011 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.403 -16.129 6.038 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.545 -16.799 5.972 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.341 -16.202 7.135 1.00 0.00 N ATOM 0 H ARG A 57 0.319 -10.712 4.265 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.024 -11.725 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.687 -12.596 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.190 -13.027 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.779 -14.012 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.621 -13.777 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.828 -15.306 3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.528 -16.088 3.110 1.00 0.00 H new ATOM 0 HE ARG A 57 0.880 -14.884 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.120 -16.746 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.849 -17.368 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.220 -15.688 7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.033 -16.772 7.923 1.00 0.00 H new ATOM 831 N LEU A 58 -3.288 -10.743 2.196 1.00 0.00 N ATOM 832 CA LEU A 58 -4.546 -10.013 2.294 1.00 0.00 C ATOM 833 C LEU A 58 -5.314 -10.417 3.549 1.00 0.00 C ATOM 834 O LEU A 58 -5.043 -11.458 4.148 1.00 0.00 O ATOM 835 CB LEU A 58 -5.404 -10.267 1.053 1.00 0.00 C ATOM 836 CG LEU A 58 -4.897 -9.651 -0.251 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.208 -10.563 -1.428 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.510 -8.275 -0.465 1.00 0.00 C ATOM 0 H LEU A 58 -3.193 -11.309 1.353 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.316 -8.949 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.493 -11.344 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.407 -9.886 1.245 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.815 -9.538 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.840 -10.108 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.721 -11.527 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.286 -10.708 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.138 -7.852 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.595 -8.364 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.237 -7.622 0.364 1.00 0.00 H new ATOM 850 N THR A 59 -6.276 -9.587 3.941 1.00 0.00 N ATOM 851 CA THR A 59 -7.084 -9.857 5.123 1.00 0.00 C ATOM 852 C THR A 59 -8.471 -10.358 4.738 1.00 0.00 C ATOM 853 O THR A 59 -9.285 -10.690 5.600 1.00 0.00 O ATOM 854 CB THR A 59 -7.230 -8.601 6.003 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.875 -7.558 5.264 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.871 -8.120 6.489 1.00 0.00 C ATOM 0 H THR A 59 -6.514 -8.722 3.456 1.00 0.00 H new ATOM 0 HA THR A 59 -6.566 -10.630 5.690 1.00 0.00 H new ATOM 0 HB THR A 59 -7.837 -8.860 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.261 -7.211 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.999 -7.232 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.395 -8.906 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.243 -7.877 5.632 1.00 0.00 H new ATOM 864 N LYS A 60 -8.736 -10.411 3.437 1.00 0.00 N ATOM 865 CA LYS A 60 -10.025 -10.874 2.936 1.00 0.00 C ATOM 866 C LYS A 60 -9.946 -12.332 2.496 1.00 0.00 C ATOM 867 O LYS A 60 -10.579 -13.205 3.091 1.00 0.00 O ATOM 868 CB LYS A 60 -10.483 -10.001 1.765 1.00 0.00 C ATOM 869 CG LYS A 60 -11.993 -9.892 1.643 1.00 0.00 C ATOM 870 CD LYS A 60 -12.536 -8.728 2.454 1.00 0.00 C ATOM 871 CE LYS A 60 -13.795 -8.149 1.826 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.646 -7.453 2.830 1.00 0.00 N ATOM 0 H LYS A 60 -8.075 -10.139 2.710 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.751 -10.796 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.063 -9.002 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.080 -10.410 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.266 -9.765 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.454 -10.819 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.754 -9.061 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.776 -7.951 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.519 -7.450 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.368 -8.949 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.494 -7.073 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.931 -8.126 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.109 -6.673 3.260 1.00 0.00 H new ATOM 886 N CYS A 61 -9.164 -12.590 1.453 1.00 0.00 N ATOM 887 CA CYS A 61 -9.001 -13.942 0.934 1.00 0.00 C ATOM 888 C CYS A 61 -7.738 -14.590 1.493 1.00 0.00 C ATOM 889 O CYS A 61 -7.517 -15.790 1.325 1.00 0.00 O ATOM 890 CB CYS A 61 -8.944 -13.921 -0.594 1.00 0.00 C ATOM 891 SG CYS A 61 -7.637 -12.849 -1.275 1.00 0.00 S ATOM 0 H CYS A 61 -8.633 -11.879 0.950 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.861 -14.532 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.790 -14.938 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.908 -13.589 -0.978 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.007 -12.399 -2.437 1.00 0.00 H new ATOM 896 N SER A 62 -6.912 -13.788 2.157 1.00 0.00 N ATOM 897 CA SER A 62 -5.669 -14.282 2.737 1.00 0.00 C ATOM 898 C SER A 62 -4.735 -14.810 1.653 1.00 0.00 C ATOM 899 O SER A 62 -4.146 -15.883 1.792 1.00 0.00 O ATOM 900 CB SER A 62 -5.960 -15.385 3.757 1.00 0.00 C ATOM 901 OG SER A 62 -6.533 -14.850 4.937 1.00 0.00 O ATOM 0 H SER A 62 -7.081 -12.793 2.307 1.00 0.00 H new ATOM 0 HA SER A 62 -5.177 -13.450 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.637 -16.119 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.037 -15.910 4.003 1.00 0.00 H new ATOM 0 HG SER A 62 -6.711 -15.575 5.572 1.00 0.00 H new ATOM 907 N HIS A 63 -4.605 -14.049 0.570 1.00 0.00 N ATOM 908 CA HIS A 63 -3.742 -14.439 -0.539 1.00 0.00 C ATOM 909 C HIS A 63 -2.477 -13.587 -0.570 1.00 0.00 C ATOM 910 O HIS A 63 -2.537 -12.378 -0.791 1.00 0.00 O ATOM 911 CB HIS A 63 -4.492 -14.308 -1.866 1.00 0.00 C ATOM 912 CG HIS A 63 -5.519 -15.377 -2.081 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.212 -15.527 -3.264 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.968 -16.353 -1.258 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.044 -16.547 -3.158 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.915 -17.066 -1.950 1.00 0.00 N ATOM 0 H HIS A 63 -5.086 -13.159 0.437 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.453 -15.480 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.980 -13.334 -1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.773 -14.336 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.642 -16.537 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.716 -16.897 -3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.435 -17.866 -1.590 1.00 0.00 H new ATOM 924 N ALA A 64 -1.334 -14.226 -0.346 1.00 0.00 N ATOM 925 CA ALA A 64 -0.055 -13.527 -0.349 1.00 0.00 C ATOM 926 C ALA A 64 0.222 -12.894 -1.709 1.00 0.00 C ATOM 927 O ALA A 64 -0.063 -13.486 -2.750 1.00 0.00 O ATOM 928 CB ALA A 64 1.069 -14.481 0.030 1.00 0.00 C ATOM 0 H ALA A 64 -1.267 -15.227 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.104 -12.728 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.018 -13.946 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.885 -14.882 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.109 -15.300 -0.689 1.00 0.00 H new ATOM 934 N PHE A 65 0.777 -11.687 -1.692 1.00 0.00 N ATOM 935 CA PHE A 65 1.091 -10.973 -2.924 1.00 0.00 C ATOM 936 C PHE A 65 2.110 -9.867 -2.668 1.00 0.00 C ATOM 937 O PHE A 65 2.020 -9.141 -1.678 1.00 0.00 O ATOM 938 CB PHE A 65 -0.182 -10.378 -3.531 1.00 0.00 C ATOM 939 CG PHE A 65 -0.910 -11.324 -4.443 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.508 -11.487 -5.759 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.998 -12.049 -3.984 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.176 -12.357 -6.600 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.669 -12.921 -4.820 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.259 -13.074 -6.130 1.00 0.00 C ATOM 0 H PHE A 65 1.019 -11.183 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 65 1.523 -11.685 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.851 -10.075 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.077 -9.477 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.337 -10.928 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.325 -11.931 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.852 -12.476 -7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.514 -13.483 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.784 -13.753 -6.786 1.00 0.00 H new ATOM 954 N HIS A 66 3.082 -9.746 -3.567 1.00 0.00 N ATOM 955 CA HIS A 66 4.120 -8.730 -3.439 1.00 0.00 C ATOM 956 C HIS A 66 3.505 -7.351 -3.217 1.00 0.00 C ATOM 957 O HIS A 66 3.043 -6.706 -4.159 1.00 0.00 O ATOM 958 CB HIS A 66 5.003 -8.712 -4.687 1.00 0.00 C ATOM 959 CG HIS A 66 5.883 -9.917 -4.815 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.520 -11.041 -5.528 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.116 -10.170 -4.318 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.492 -11.934 -5.462 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.472 -11.430 -4.734 1.00 0.00 N ATOM 0 H HIS A 66 3.172 -10.339 -4.392 1.00 0.00 H new ATOM 0 HA HIS A 66 4.733 -8.979 -2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.368 -8.640 -5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.626 -7.818 -4.669 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.639 -11.164 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.710 -9.505 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.486 -12.910 -5.925 1.00 0.00 H new ATOM 971 N LEU A 67 3.503 -6.904 -1.965 1.00 0.00 N ATOM 972 CA LEU A 67 2.944 -5.602 -1.619 1.00 0.00 C ATOM 973 C LEU A 67 3.227 -4.579 -2.715 1.00 0.00 C ATOM 974 O LEU A 67 2.451 -3.646 -2.923 1.00 0.00 O ATOM 975 CB LEU A 67 3.522 -5.115 -0.289 1.00 0.00 C ATOM 976 CG LEU A 67 3.309 -6.035 0.913 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.906 -5.420 2.169 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.827 -6.321 1.109 1.00 0.00 C ATOM 0 H LEU A 67 3.882 -7.424 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 67 1.864 -5.712 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.593 -4.960 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.084 -4.144 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 67 3.818 -6.979 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.744 -6.089 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.976 -5.267 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.426 -4.462 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.694 -6.977 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.295 -5.385 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.429 -6.806 0.217 1.00 0.00 H new ATOM 990 N LEU A 68 4.342 -4.762 -3.414 1.00 0.00 N ATOM 991 CA LEU A 68 4.727 -3.856 -4.490 1.00 0.00 C ATOM 992 C LEU A 68 3.912 -4.131 -5.750 1.00 0.00 C ATOM 993 O LEU A 68 3.282 -3.229 -6.304 1.00 0.00 O ATOM 994 CB LEU A 68 6.219 -3.998 -4.794 1.00 0.00 C ATOM 995 CG LEU A 68 6.801 -2.992 -5.787 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.214 -1.714 -5.072 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.985 -3.596 -6.528 1.00 0.00 C ATOM 0 H LEU A 68 4.995 -5.529 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 68 4.525 -2.836 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.770 -3.913 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.397 -5.002 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 68 6.030 -2.744 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.626 -1.010 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.344 -1.270 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.968 -1.945 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.386 -2.865 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.759 -3.874 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.660 -4.482 -7.073 1.00 0.00 H new ATOM 1009 N CYS A 69 3.926 -5.382 -6.197 1.00 0.00 N ATOM 1010 CA CYS A 69 3.188 -5.777 -7.390 1.00 0.00 C ATOM 1011 C CYS A 69 1.769 -5.216 -7.362 1.00 0.00 C ATOM 1012 O CYS A 69 1.342 -4.531 -8.293 1.00 0.00 O ATOM 1013 CB CYS A 69 3.142 -7.302 -7.506 1.00 0.00 C ATOM 1014 SG CYS A 69 4.704 -8.052 -8.071 1.00 0.00 S ATOM 0 H CYS A 69 4.441 -6.140 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 69 3.705 -5.369 -8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.880 -7.722 -6.535 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.347 -7.579 -8.198 1.00 0.00 H new ATOM 0 HG CYS A 69 5.645 -7.155 -8.060 1.00 0.00 H new ATOM 1019 N LEU A 70 1.044 -5.510 -6.289 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.327 -5.035 -6.138 1.00 0.00 C ATOM 1021 C LEU A 70 -0.444 -3.570 -6.547 1.00 0.00 C ATOM 1022 O LEU A 70 -1.392 -3.178 -7.230 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.793 -5.211 -4.692 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.794 -6.643 -4.157 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.849 -6.645 -2.637 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -1.963 -7.428 -4.736 1.00 0.00 C ATOM 0 H LEU A 70 1.382 -6.075 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.965 -5.628 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.155 -4.605 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.803 -4.811 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 70 0.132 -7.127 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.849 -7.673 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.020 -6.120 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.758 -6.143 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.948 -8.445 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.899 -6.945 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.880 -7.456 -5.822 1.00 0.00 H new ATOM 1038 N LEU A 71 0.526 -2.765 -6.128 1.00 0.00 N ATOM 1039 CA LEU A 71 0.534 -1.343 -6.452 1.00 0.00 C ATOM 1040 C LEU A 71 0.656 -1.128 -7.957 1.00 0.00 C ATOM 1041 O LEU A 71 -0.002 -0.257 -8.525 1.00 0.00 O ATOM 1042 CB LEU A 71 1.686 -0.641 -5.730 1.00 0.00 C ATOM 1043 CG LEU A 71 1.709 0.885 -5.826 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.945 1.504 -4.666 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.141 1.396 -5.857 1.00 0.00 C ATOM 0 H LEU A 71 1.317 -3.073 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.411 -0.915 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.650 -0.918 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.625 -1.024 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 71 1.220 1.179 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.972 2.590 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.090 1.164 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.405 1.202 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.138 2.484 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.656 1.091 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.657 0.980 -6.722 1.00 0.00 H new ATOM 1057 N ALA A 72 1.500 -1.930 -8.598 1.00 0.00 N ATOM 1058 CA ALA A 72 1.704 -1.831 -10.037 1.00 0.00 C ATOM 1059 C ALA A 72 0.406 -2.085 -10.795 1.00 0.00 C ATOM 1060 O ALA A 72 0.028 -1.312 -11.675 1.00 0.00 O ATOM 1061 CB ALA A 72 2.780 -2.809 -10.486 1.00 0.00 C ATOM 0 H ALA A 72 2.054 -2.656 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 72 2.033 -0.817 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.922 -2.724 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.716 -2.579 -9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.474 -3.826 -10.239 1.00 0.00 H new ATOM 1067 N MET A 73 -0.272 -3.174 -10.449 1.00 0.00 N ATOM 1068 CA MET A 73 -1.529 -3.530 -11.097 1.00 0.00 C ATOM 1069 C MET A 73 -2.624 -2.527 -10.747 1.00 0.00 C ATOM 1070 O MET A 73 -3.415 -2.132 -11.604 1.00 0.00 O ATOM 1071 CB MET A 73 -1.960 -4.938 -10.684 1.00 0.00 C ATOM 1072 CG MET A 73 -3.025 -5.538 -11.588 1.00 0.00 C ATOM 1073 SD MET A 73 -4.699 -5.181 -11.020 1.00 0.00 S ATOM 1074 CE MET A 73 -4.634 -5.823 -9.349 1.00 0.00 C ATOM 0 H MET A 73 0.028 -3.825 -9.724 1.00 0.00 H new ATOM 0 HA MET A 73 -1.372 -3.508 -12.175 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.087 -5.590 -10.683 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.337 -4.908 -9.662 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.898 -5.151 -12.599 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.886 -6.618 -11.640 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.583 -6.300 -9.105 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.830 -6.555 -9.271 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.449 -5.006 -8.652 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.664 -2.119 -9.484 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.664 -1.165 -9.020 1.00 0.00 C ATOM 1086 C TYR A 74 -3.491 0.185 -9.711 1.00 0.00 C ATOM 1087 O TYR A 74 -4.468 0.823 -10.105 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.568 -0.989 -7.504 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.334 0.205 -6.982 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.947 1.500 -7.308 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.445 0.040 -6.165 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.644 2.594 -6.833 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.149 1.129 -5.687 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.744 2.403 -6.023 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.441 3.491 -5.549 1.00 0.00 O ATOM 0 H TYR A 74 -2.015 -2.434 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.649 -1.559 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.942 -1.890 -7.018 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.519 -0.888 -7.224 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.087 1.653 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.764 -0.957 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.329 3.594 -7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.012 0.983 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.310 3.544 -5.999 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.241 0.612 -9.855 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.938 1.885 -10.498 1.00 0.00 C ATOM 1107 C CYS A 75 -2.506 1.929 -11.912 1.00 0.00 C ATOM 1108 O CYS A 75 -3.325 2.788 -12.237 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.426 2.114 -10.536 1.00 0.00 C ATOM 1110 SG CYS A 75 0.065 3.681 -11.293 1.00 0.00 S ATOM 0 H CYS A 75 -1.422 0.095 -9.535 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.404 2.678 -9.914 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.038 2.077 -9.518 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.041 1.296 -11.085 1.00 0.00 H new ATOM 0 HG CYS A 75 1.361 3.784 -11.277 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.135 4.195 -5.625 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.079 3.771 -4.238 1.00 0.00 C ATOM 1187 C GLY A 81 -9.714 2.412 -4.021 1.00 0.00 C ATOM 1188 O GLY A 81 -10.513 2.233 -3.101 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.039 3.739 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.585 4.509 -3.615 1.00 0.00 H new ATOM 1192 N SER A 82 -9.360 1.453 -4.869 1.00 0.00 N ATOM 1193 CA SER A 82 -9.905 0.104 -4.769 1.00 0.00 C ATOM 1194 C SER A 82 -8.845 -0.938 -5.112 1.00 0.00 C ATOM 1195 O SER A 82 -8.014 -0.727 -5.997 1.00 0.00 O ATOM 1196 CB SER A 82 -11.110 -0.052 -5.698 1.00 0.00 C ATOM 1197 OG SER A 82 -10.834 0.473 -6.985 1.00 0.00 O ATOM 0 H SER A 82 -8.698 1.585 -5.634 1.00 0.00 H new ATOM 0 HA SER A 82 -10.226 -0.056 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.375 -1.106 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.972 0.460 -5.270 1.00 0.00 H new ATOM 0 HG SER A 82 -11.619 0.359 -7.560 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.879 -2.063 -4.407 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.922 -3.139 -4.636 1.00 0.00 C ATOM 1205 C LEU A 83 -8.639 -4.460 -4.894 1.00 0.00 C ATOM 1206 O LEU A 83 -9.338 -4.978 -4.023 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.986 -3.280 -3.434 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.638 -3.949 -3.708 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.831 -5.421 -4.042 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.908 -3.236 -4.836 1.00 0.00 C ATOM 0 H LEU A 83 -9.559 -2.254 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.334 -2.887 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.800 -2.287 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.502 -3.851 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.029 -3.878 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.861 -5.881 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.312 -5.924 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.458 -5.514 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.951 -3.726 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.512 -3.275 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.737 -2.196 -4.558 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.459 -5.001 -6.095 1.00 0.00 N ATOM 1223 CA GLN A 84 -9.088 -6.263 -6.466 1.00 0.00 C ATOM 1224 C GLN A 84 -8.048 -7.368 -6.610 1.00 0.00 C ATOM 1225 O GLN A 84 -7.085 -7.235 -7.366 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.865 -6.104 -7.774 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.871 -7.216 -8.023 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.336 -7.271 -9.465 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.600 -6.904 -10.381 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.564 -7.731 -9.674 1.00 0.00 N ATOM 0 H GLN A 84 -7.883 -4.585 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.780 -6.542 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.388 -5.148 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.160 -6.071 -8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.424 -8.173 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.734 -7.073 -7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.140 -8.025 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.931 -7.791 -10.624 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.247 -8.460 -5.880 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.326 -9.590 -5.925 1.00 0.00 C ATOM 1241 C CYS A 85 -7.404 -10.302 -7.272 1.00 0.00 C ATOM 1242 O CYS A 85 -8.445 -10.830 -7.664 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.638 -10.575 -4.797 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.315 -11.786 -4.480 1.00 0.00 S ATOM 0 H CYS A 85 -9.039 -8.587 -5.249 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.314 -9.207 -5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.829 -10.014 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.556 -11.111 -5.040 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.412 -12.226 -3.260 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.277 -10.317 -8.000 1.00 0.00 N ATOM 1250 CA PRO A 86 -6.191 -10.961 -9.314 1.00 0.00 C ATOM 1251 C PRO A 86 -6.267 -12.481 -9.220 1.00 0.00 C ATOM 1252 O PRO A 86 -6.146 -13.181 -10.225 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.819 -10.525 -9.834 1.00 0.00 C ATOM 1254 CG PRO A 86 -4.023 -10.239 -8.607 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.999 -9.707 -7.595 1.00 0.00 C ATOM 0 HA PRO A 86 -7.018 -10.675 -9.963 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.355 -11.309 -10.433 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.898 -9.643 -10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.534 -11.141 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.238 -9.511 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.721 -9.992 -6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.048 -8.618 -7.618 1.00 0.00 H new ATOM 1263 N SER A 87 -6.470 -12.985 -8.007 1.00 0.00 N ATOM 1264 CA SER A 87 -6.559 -14.423 -7.782 1.00 0.00 C ATOM 1265 C SER A 87 -8.013 -14.861 -7.634 1.00 0.00 C ATOM 1266 O SER A 87 -8.498 -15.711 -8.381 1.00 0.00 O ATOM 1267 CB SER A 87 -5.767 -14.816 -6.534 1.00 0.00 C ATOM 1268 OG SER A 87 -5.342 -16.166 -6.602 1.00 0.00 O ATOM 0 H SER A 87 -6.576 -12.419 -7.165 1.00 0.00 H new ATOM 0 HA SER A 87 -6.132 -14.928 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.900 -14.164 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.384 -14.670 -5.647 1.00 0.00 H new ATOM 0 HG SER A 87 -4.837 -16.391 -5.793 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.705 -14.274 -6.662 1.00 0.00 N ATOM 1275 CA CYS A 88 -10.103 -14.602 -6.413 1.00 0.00 C ATOM 1276 C CYS A 88 -11.012 -13.441 -6.806 1.00 0.00 C ATOM 1277 O CYS A 88 -12.186 -13.403 -6.436 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.312 -14.951 -4.938 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.727 -13.671 -3.781 1.00 0.00 S ATOM 0 H CYS A 88 -8.319 -13.569 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.362 -15.467 -7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.374 -15.125 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.796 -15.886 -4.720 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.646 -14.083 -3.188 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.462 -12.494 -7.559 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.221 -11.332 -8.004 1.00 0.00 C ATOM 1286 C LYS A 89 -12.143 -10.828 -6.898 1.00 0.00 C ATOM 1287 O LYS A 89 -13.321 -10.555 -7.133 1.00 0.00 O ATOM 1288 CB LYS A 89 -12.042 -11.679 -9.248 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.208 -12.226 -10.394 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.264 -11.172 -10.948 1.00 0.00 C ATOM 1291 CE LYS A 89 -10.985 -10.210 -11.879 1.00 0.00 C ATOM 1292 NZ LYS A 89 -10.058 -9.594 -12.868 1.00 0.00 N ATOM 0 H LYS A 89 -9.492 -12.509 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.514 -10.541 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.801 -12.414 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.568 -10.786 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.633 -13.086 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.866 -12.580 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.815 -10.616 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.450 -11.658 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.778 -10.741 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.462 -9.426 -11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.588 -8.945 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.316 -9.066 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.621 -10.340 -13.446 1.00 0.00 H new ATOM 1306 N THR A 90 -11.600 -10.705 -5.691 1.00 0.00 N ATOM 1307 CA THR A 90 -12.373 -10.233 -4.549 1.00 0.00 C ATOM 1308 C THR A 90 -12.143 -8.746 -4.306 1.00 0.00 C ATOM 1309 O THR A 90 -11.034 -8.325 -3.978 1.00 0.00 O ATOM 1310 CB THR A 90 -12.016 -11.012 -3.269 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.512 -12.352 -3.357 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.599 -10.329 -2.041 1.00 0.00 C ATOM 0 H THR A 90 -10.627 -10.926 -5.479 1.00 0.00 H new ATOM 0 HA THR A 90 -13.423 -10.401 -4.787 1.00 0.00 H new ATOM 0 HB THR A 90 -10.930 -11.033 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.770 -12.964 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.334 -10.897 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.197 -9.319 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.684 -10.281 -2.132 1.00 0.00 H new ATOM 1320 N ILE A 91 -13.199 -7.955 -4.469 1.00 0.00 N ATOM 1321 CA ILE A 91 -13.111 -6.514 -4.266 1.00 0.00 C ATOM 1322 C ILE A 91 -12.868 -6.180 -2.798 1.00 0.00 C ATOM 1323 O ILE A 91 -13.182 -6.973 -1.910 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.392 -5.800 -4.737 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.499 -5.853 -6.263 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -14.406 -4.359 -4.249 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.920 -5.753 -6.772 1.00 0.00 C ATOM 0 H ILE A 91 -14.124 -8.287 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.268 -6.162 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 91 -15.254 -6.314 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.911 -5.040 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -14.059 -6.785 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -15.318 -3.868 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.371 -4.343 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.539 -3.832 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.920 -5.797 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.508 -6.581 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -16.357 -4.809 -6.447 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.308 -5.001 -2.550 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.022 -4.562 -1.189 1.00 0.00 C ATOM 1341 C TYR A 92 -12.585 -3.167 -0.938 1.00 0.00 C ATOM 1342 O TYR A 92 -13.097 -2.877 0.143 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.513 -4.569 -0.936 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.932 -5.955 -0.779 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.983 -6.873 -1.822 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.332 -6.349 0.410 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.453 -8.141 -1.683 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.798 -7.614 0.557 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.862 -8.507 -0.492 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.333 -9.769 -0.349 1.00 0.00 O ATOM 0 H TYR A 92 -12.043 -4.332 -3.273 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.502 -5.257 -0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.012 -4.066 -1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.301 -3.991 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.445 -6.590 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.282 -5.653 1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.501 -8.842 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.333 -7.902 1.488 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.544 -10.304 -1.142 1.00 0.00 H new