USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=26 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 -152:sc= 0.504 USER MOD Set 1.2: A 63 HIS :FLIP no HE2:sc= -0.504 F(o=0.83,f=1.7) USER MOD Set 1.3: A 85 CYS SG : rot 180:sc= -0.839 USER MOD Set 1.4: A 88 CYS SG : rot -142:sc= 2.35 USER MOD Set 1.5: A 90 THR OG1 : rot 105:sc= 1.44 USER MOD Set 1.6: A 92 TYR OH : rot -9:sc= -1.21 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.882 USER MOD Set 2.2: A 31 CYS SG : rot -69:sc= -0.244 USER MOD Set 2.3: A 39 SER OG : rot 53:sc= 1.76 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -3.74! C(o=-1.2!,f=-6!) USER MOD Set 2.5: A 69 CYS SG : rot 6:sc= 0.122 USER MOD Single : A 11 GLN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -53:sc= -1.39 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.107) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) 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 -95:sc= 0.353 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= -1.02 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -175:sc= 0 (180deg=-0.0555) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -54:sc= 0.666 USER MOD Single : A 73 MET CE :methyl -110:sc= -1.3 (180deg=-4.74!) USER MOD Single : A 74 TYR OH : rot -5:sc= 0.211 USER MOD Single : A 75 CYS SG : rot -24:sc= -0.372 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.117 K(o=-0.12,f=-1) 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 -3.714 8.170 -0.937 1.00 0.00 N ATOM 67 CA GLU A 8 -2.607 7.529 -1.637 1.00 0.00 C ATOM 68 C GLU A 8 -2.797 6.015 -1.685 1.00 0.00 C ATOM 69 O GLU A 8 -3.398 5.412 -0.796 1.00 0.00 O ATOM 70 CB GLU A 8 -1.279 7.866 -0.955 1.00 0.00 C ATOM 71 CG GLU A 8 -0.870 9.321 -1.106 1.00 0.00 C ATOM 72 CD GLU A 8 0.520 9.596 -0.564 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.717 9.450 0.660 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.409 9.956 -1.364 1.00 0.00 O ATOM 0 HA GLU A 8 -2.589 7.908 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.354 7.627 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.496 7.232 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.906 9.597 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.590 9.953 -0.586 1.00 0.00 H new ATOM 81 N PRO A 9 -2.274 5.387 -2.748 1.00 0.00 N ATOM 82 CA PRO A 9 -2.373 3.937 -2.938 1.00 0.00 C ATOM 83 C PRO A 9 -1.522 3.162 -1.938 1.00 0.00 C ATOM 84 O PRO A 9 -1.888 2.066 -1.516 1.00 0.00 O ATOM 85 CB PRO A 9 -1.848 3.729 -4.361 1.00 0.00 C ATOM 86 CG PRO A 9 -0.949 4.892 -4.607 1.00 0.00 C ATOM 87 CD PRO A 9 -1.545 6.044 -3.846 1.00 0.00 C ATOM 0 HA PRO A 9 -3.390 3.575 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.309 2.786 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.664 3.699 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.064 4.681 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.886 5.118 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.776 6.719 -3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.211 6.638 -4.472 1.00 0.00 H new ATOM 95 N GLU A 10 -0.384 3.739 -1.563 1.00 0.00 N ATOM 96 CA GLU A 10 0.518 3.101 -0.612 1.00 0.00 C ATOM 97 C GLU A 10 -0.256 2.520 0.568 1.00 0.00 C ATOM 98 O GLU A 10 -0.103 1.347 0.906 1.00 0.00 O ATOM 99 CB GLU A 10 1.558 4.104 -0.109 1.00 0.00 C ATOM 100 CG GLU A 10 2.804 4.176 -0.976 1.00 0.00 C ATOM 101 CD GLU A 10 3.687 5.359 -0.631 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.722 5.747 0.556 1.00 0.00 O ATOM 103 OE2 GLU A 10 4.342 5.898 -1.547 1.00 0.00 O ATOM 0 H GLU A 10 -0.066 4.646 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 10 1.028 2.286 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.102 5.093 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.848 3.835 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.376 3.255 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.510 4.240 -2.024 1.00 0.00 H new ATOM 110 N GLN A 11 -1.088 3.350 1.189 1.00 0.00 N ATOM 111 CA GLN A 11 -1.885 2.920 2.331 1.00 0.00 C ATOM 112 C GLN A 11 -3.023 2.007 1.887 1.00 0.00 C ATOM 113 O GLN A 11 -3.309 0.996 2.529 1.00 0.00 O ATOM 114 CB GLN A 11 -2.449 4.133 3.073 1.00 0.00 C ATOM 115 CG GLN A 11 -3.303 5.037 2.200 1.00 0.00 C ATOM 116 CD GLN A 11 -3.655 6.345 2.882 1.00 0.00 C ATOM 117 OE1 GLN A 11 -4.573 6.405 3.699 1.00 0.00 O ATOM 118 NE2 GLN A 11 -2.923 7.402 2.548 1.00 0.00 N ATOM 0 H GLN A 11 -1.227 4.324 0.920 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.236 2.361 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.046 3.787 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.623 4.713 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.771 5.247 1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.220 4.514 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.171 7.307 1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.113 8.309 2.974 1.00 0.00 H new ATOM 127 N VAL A 12 -3.672 2.370 0.785 1.00 0.00 N ATOM 128 CA VAL A 12 -4.779 1.583 0.255 1.00 0.00 C ATOM 129 C VAL A 12 -4.397 0.113 0.128 1.00 0.00 C ATOM 130 O VAL A 12 -5.236 -0.773 0.296 1.00 0.00 O ATOM 131 CB VAL A 12 -5.229 2.105 -1.123 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.327 1.223 -1.696 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.695 3.550 -1.018 1.00 0.00 C ATOM 0 H VAL A 12 -3.450 3.204 0.242 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.604 1.682 0.961 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.377 2.070 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.632 1.608 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.954 0.205 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.183 1.223 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.009 3.903 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.534 3.612 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.876 4.171 -0.654 1.00 0.00 H new ATOM 143 N ILE A 13 -3.127 -0.140 -0.168 1.00 0.00 N ATOM 144 CA ILE A 13 -2.633 -1.503 -0.315 1.00 0.00 C ATOM 145 C ILE A 13 -2.526 -2.198 1.038 1.00 0.00 C ATOM 146 O ILE A 13 -3.187 -3.206 1.285 1.00 0.00 O ATOM 147 CB ILE A 13 -1.257 -1.533 -1.006 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.360 -0.962 -2.421 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.712 -2.953 -1.040 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.281 -1.750 -3.326 1.00 0.00 C ATOM 0 H ILE A 13 -2.421 0.582 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.354 -2.034 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.566 -0.913 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.714 0.067 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.365 -0.933 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.261 -2.958 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.606 -3.326 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.400 -3.594 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.305 -1.287 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.917 -2.773 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.286 -1.758 -2.904 1.00 0.00 H new ATOM 162 N ARG A 14 -1.688 -1.650 1.913 1.00 0.00 N ATOM 163 CA ARG A 14 -1.494 -2.217 3.243 1.00 0.00 C ATOM 164 C ARG A 14 -2.831 -2.400 3.956 1.00 0.00 C ATOM 165 O ARG A 14 -3.080 -3.436 4.573 1.00 0.00 O ATOM 166 CB ARG A 14 -0.579 -1.316 4.075 1.00 0.00 C ATOM 167 CG ARG A 14 0.812 -1.150 3.486 1.00 0.00 C ATOM 168 CD ARG A 14 1.678 -2.372 3.749 1.00 0.00 C ATOM 169 NE ARG A 14 3.092 -2.105 3.496 1.00 0.00 N ATOM 170 CZ ARG A 14 3.932 -1.657 4.423 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.503 -1.428 5.656 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.204 -1.438 4.116 1.00 0.00 N ATOM 0 H ARG A 14 -1.133 -0.815 1.725 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.025 -3.195 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.042 -0.334 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.492 -1.730 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.736 -0.981 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.287 -0.267 3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.549 -2.692 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.346 -3.195 3.116 1.00 0.00 H new ATOM 0 HE ARG A 14 3.454 -2.272 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.526 -1.596 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.150 -1.084 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.537 -1.614 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.849 -1.094 4.828 1.00 0.00 H new ATOM 186 N LYS A 15 -3.687 -1.388 3.867 1.00 0.00 N ATOM 187 CA LYS A 15 -4.998 -1.437 4.502 1.00 0.00 C ATOM 188 C LYS A 15 -5.713 -2.745 4.176 1.00 0.00 C ATOM 189 O LYS A 15 -6.518 -3.237 4.967 1.00 0.00 O ATOM 190 CB LYS A 15 -5.852 -0.250 4.048 1.00 0.00 C ATOM 191 CG LYS A 15 -7.232 -0.216 4.683 1.00 0.00 C ATOM 192 CD LYS A 15 -7.978 1.059 4.326 1.00 0.00 C ATOM 193 CE LYS A 15 -9.070 1.367 5.338 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.432 2.812 5.342 1.00 0.00 N ATOM 0 H LYS A 15 -3.496 -0.523 3.361 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.853 -1.382 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.329 0.676 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.961 -0.285 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.807 -1.080 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.137 -0.292 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.276 1.892 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.418 0.959 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.954 0.772 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.736 1.074 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.179 2.981 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.594 3.379 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.775 3.087 4.399 1.00 0.00 H new ATOM 208 N TYR A 16 -5.412 -3.303 3.009 1.00 0.00 N ATOM 209 CA TYR A 16 -6.026 -4.553 2.578 1.00 0.00 C ATOM 210 C TYR A 16 -5.030 -5.705 2.659 1.00 0.00 C ATOM 211 O TYR A 16 -5.415 -6.872 2.741 1.00 0.00 O ATOM 212 CB TYR A 16 -6.555 -4.420 1.150 1.00 0.00 C ATOM 213 CG TYR A 16 -7.572 -3.313 0.981 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.632 -3.176 1.867 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.470 -2.405 -0.066 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.563 -2.167 1.716 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.396 -1.391 -0.224 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.441 -1.277 0.670 1.00 0.00 C ATOM 219 OH TYR A 16 -10.366 -0.269 0.516 1.00 0.00 O ATOM 0 H TYR A 16 -4.746 -2.909 2.344 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.859 -4.769 3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.717 -4.238 0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.006 -5.365 0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.730 -3.870 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.654 -2.493 -0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.382 -2.076 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.302 -0.692 -1.042 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.134 0.270 -0.269 1.00 0.00 H new ATOM 229 N THR A 17 -3.743 -5.370 2.634 1.00 0.00 N ATOM 230 CA THR A 17 -2.690 -6.374 2.704 1.00 0.00 C ATOM 231 C THR A 17 -1.824 -6.179 3.943 1.00 0.00 C ATOM 232 O THR A 17 -1.352 -5.075 4.212 1.00 0.00 O ATOM 233 CB THR A 17 -1.792 -6.334 1.452 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.094 -5.086 1.390 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.617 -6.523 0.188 1.00 0.00 C ATOM 0 H THR A 17 -3.406 -4.410 2.566 1.00 0.00 H new ATOM 0 HA THR A 17 -3.183 -7.345 2.759 1.00 0.00 H new ATOM 0 HB THR A 17 -1.072 -7.149 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.736 -4.349 1.461 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.962 -6.491 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.124 -7.487 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.357 -5.726 0.114 1.00 0.00 H new ATOM 243 N GLU A 18 -1.619 -7.257 4.693 1.00 0.00 N ATOM 244 CA GLU A 18 -0.809 -7.202 5.904 1.00 0.00 C ATOM 245 C GLU A 18 0.605 -7.710 5.637 1.00 0.00 C ATOM 246 O GLU A 18 0.791 -8.764 5.029 1.00 0.00 O ATOM 247 CB GLU A 18 -1.458 -8.029 7.016 1.00 0.00 C ATOM 248 CG GLU A 18 -1.149 -7.518 8.413 1.00 0.00 C ATOM 249 CD GLU A 18 0.204 -7.982 8.918 1.00 0.00 C ATOM 250 OE1 GLU A 18 0.555 -9.157 8.681 1.00 0.00 O ATOM 251 OE2 GLU A 18 0.911 -7.170 9.549 1.00 0.00 O ATOM 0 H GLU A 18 -2.003 -8.179 4.483 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.748 -6.161 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.538 -8.034 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.121 -9.062 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.178 -6.428 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.925 -7.857 9.100 1.00 0.00 H new ATOM 258 N GLU A 19 1.596 -6.952 6.095 1.00 0.00 N ATOM 259 CA GLU A 19 2.993 -7.325 5.904 1.00 0.00 C ATOM 260 C GLU A 19 3.413 -8.394 6.909 1.00 0.00 C ATOM 261 O GLU A 19 3.354 -8.180 8.121 1.00 0.00 O ATOM 262 CB GLU A 19 3.895 -6.097 6.041 1.00 0.00 C ATOM 263 CG GLU A 19 5.338 -6.354 5.643 1.00 0.00 C ATOM 264 CD GLU A 19 6.209 -5.120 5.776 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.994 -4.343 6.729 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.105 -4.931 4.926 1.00 0.00 O ATOM 0 H GLU A 19 1.458 -6.077 6.600 1.00 0.00 H new ATOM 0 HA GLU A 19 3.099 -7.734 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.495 -5.292 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.868 -5.750 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.746 -7.151 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.369 -6.707 4.612 1.00 0.00 H new ATOM 273 N LEU A 20 3.837 -9.544 6.398 1.00 0.00 N ATOM 274 CA LEU A 20 4.267 -10.648 7.249 1.00 0.00 C ATOM 275 C LEU A 20 5.761 -10.557 7.545 1.00 0.00 C ATOM 276 O LEU A 20 6.567 -10.295 6.652 1.00 0.00 O ATOM 277 CB LEU A 20 3.948 -11.987 6.582 1.00 0.00 C ATOM 278 CG LEU A 20 2.565 -12.104 5.940 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.433 -13.422 5.193 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.475 -11.974 6.993 1.00 0.00 C ATOM 0 H LEU A 20 3.892 -9.737 5.398 1.00 0.00 H new ATOM 0 HA LEU A 20 3.724 -10.581 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.700 -12.177 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.048 -12.775 7.328 1.00 0.00 H new ATOM 0 HG LEU A 20 2.448 -11.291 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.442 -13.487 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.191 -13.475 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.571 -14.250 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.498 -12.060 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.589 -12.765 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.556 -11.004 7.483 1.00 0.00 H new ATOM 292 N LYS A 21 6.123 -10.778 8.804 1.00 0.00 N ATOM 293 CA LYS A 21 7.520 -10.725 9.219 1.00 0.00 C ATOM 294 C LYS A 21 8.423 -11.375 8.175 1.00 0.00 C ATOM 295 O LYS A 21 9.521 -10.891 7.901 1.00 0.00 O ATOM 296 CB LYS A 21 7.700 -11.422 10.569 1.00 0.00 C ATOM 297 CG LYS A 21 6.801 -10.871 11.662 1.00 0.00 C ATOM 298 CD LYS A 21 7.029 -11.586 12.984 1.00 0.00 C ATOM 299 CE LYS A 21 6.065 -11.097 14.055 1.00 0.00 C ATOM 300 NZ LYS A 21 4.664 -11.517 13.773 1.00 0.00 N ATOM 0 H LYS A 21 5.468 -10.996 9.555 1.00 0.00 H new ATOM 0 HA LYS A 21 7.804 -9.677 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.500 -12.487 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.740 -11.326 10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.990 -9.805 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.758 -10.978 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.905 -12.660 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.055 -11.424 13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.373 -11.486 15.026 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.113 -10.010 14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.075 -11.346 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.292 -10.969 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.646 -12.530 13.538 1.00 0.00 H new ATOM 314 N VAL A 22 7.951 -12.473 7.593 1.00 0.00 N ATOM 315 CA VAL A 22 8.714 -13.188 6.577 1.00 0.00 C ATOM 316 C VAL A 22 7.801 -13.727 5.482 1.00 0.00 C ATOM 317 O VAL A 22 6.779 -14.351 5.763 1.00 0.00 O ATOM 318 CB VAL A 22 9.507 -14.358 7.190 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.222 -15.147 6.104 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.496 -13.845 8.226 1.00 0.00 C ATOM 0 H VAL A 22 7.044 -12.887 7.808 1.00 0.00 H new ATOM 0 HA VAL A 22 9.413 -12.472 6.144 1.00 0.00 H new ATOM 0 HB VAL A 22 8.806 -15.027 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.777 -15.969 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.490 -15.546 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.913 -14.492 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.048 -14.684 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.193 -13.154 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.956 -13.329 9.020 1.00 0.00 H new ATOM 330 N ALA A 23 8.179 -13.481 4.231 1.00 0.00 N ATOM 331 CA ALA A 23 7.395 -13.944 3.092 1.00 0.00 C ATOM 332 C ALA A 23 7.004 -15.409 3.254 1.00 0.00 C ATOM 333 O ALA A 23 7.820 -16.259 3.611 1.00 0.00 O ATOM 334 CB ALA A 23 8.173 -13.743 1.800 1.00 0.00 C ATOM 0 H ALA A 23 9.022 -12.964 3.981 1.00 0.00 H new ATOM 0 HA ALA A 23 6.480 -13.354 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.576 -14.093 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.397 -12.684 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.104 -14.308 1.844 1.00 0.00 H new ATOM 340 N PRO A 24 5.726 -15.714 2.985 1.00 0.00 N ATOM 341 CA PRO A 24 5.197 -17.077 3.094 1.00 0.00 C ATOM 342 C PRO A 24 5.747 -18.000 2.012 1.00 0.00 C ATOM 343 O PRO A 24 6.589 -17.597 1.209 1.00 0.00 O ATOM 344 CB PRO A 24 3.688 -16.888 2.919 1.00 0.00 C ATOM 345 CG PRO A 24 3.553 -15.631 2.131 1.00 0.00 C ATOM 346 CD PRO A 24 4.698 -14.752 2.554 1.00 0.00 C ATOM 0 HA PRO A 24 5.475 -17.547 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.241 -17.733 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.185 -16.807 3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.592 -15.835 1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.596 -15.148 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.051 -14.128 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.411 -14.081 3.363 1.00 0.00 H new ATOM 354 N GLU A 25 5.266 -19.239 1.997 1.00 0.00 N ATOM 355 CA GLU A 25 5.711 -20.219 1.013 1.00 0.00 C ATOM 356 C GLU A 25 4.764 -20.258 -0.183 1.00 0.00 C ATOM 357 O GLU A 25 4.533 -21.315 -0.770 1.00 0.00 O ATOM 358 CB GLU A 25 5.805 -21.607 1.649 1.00 0.00 C ATOM 359 CG GLU A 25 7.095 -21.838 2.418 1.00 0.00 C ATOM 360 CD GLU A 25 8.275 -22.117 1.508 1.00 0.00 C ATOM 361 OE1 GLU A 25 8.609 -21.242 0.683 1.00 0.00 O ATOM 362 OE2 GLU A 25 8.866 -23.212 1.622 1.00 0.00 O ATOM 0 H GLU A 25 4.569 -19.588 2.655 1.00 0.00 H new ATOM 0 HA GLU A 25 6.699 -19.921 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.960 -21.746 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.717 -22.362 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.311 -20.961 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.961 -22.677 3.101 1.00 0.00 H new ATOM 369 N GLU A 26 4.218 -19.099 -0.537 1.00 0.00 N ATOM 370 CA GLU A 26 3.295 -19.001 -1.661 1.00 0.00 C ATOM 371 C GLU A 26 4.007 -18.483 -2.907 1.00 0.00 C ATOM 372 O GLU A 26 5.224 -18.299 -2.907 1.00 0.00 O ATOM 373 CB GLU A 26 2.124 -18.080 -1.309 1.00 0.00 C ATOM 374 CG GLU A 26 1.241 -18.617 -0.195 1.00 0.00 C ATOM 375 CD GLU A 26 -0.151 -18.016 -0.214 1.00 0.00 C ATOM 376 OE1 GLU A 26 -1.012 -18.540 -0.952 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.380 -17.024 0.508 1.00 0.00 O ATOM 0 H GLU A 26 4.399 -18.215 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 26 2.912 -20.000 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.515 -17.106 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.516 -17.923 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.166 -19.701 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.709 -18.409 0.767 1.00 0.00 H new ATOM 384 N ASP A 27 3.240 -18.251 -3.966 1.00 0.00 N ATOM 385 CA ASP A 27 3.796 -17.754 -5.219 1.00 0.00 C ATOM 386 C ASP A 27 2.966 -16.594 -5.760 1.00 0.00 C ATOM 387 O ASP A 27 1.747 -16.559 -5.593 1.00 0.00 O ATOM 388 CB ASP A 27 3.861 -18.878 -6.254 1.00 0.00 C ATOM 389 CG ASP A 27 4.184 -20.221 -5.631 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.131 -20.287 -4.819 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.490 -21.207 -5.954 1.00 0.00 O ATOM 0 H ASP A 27 2.231 -18.399 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 27 4.806 -17.393 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.906 -18.943 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.617 -18.636 -7.001 1.00 0.00 H new ATOM 396 N CYS A 28 3.635 -15.647 -6.409 1.00 0.00 N ATOM 397 CA CYS A 28 2.960 -14.484 -6.973 1.00 0.00 C ATOM 398 C CYS A 28 2.631 -14.709 -8.447 1.00 0.00 C ATOM 399 O CYS A 28 3.517 -14.990 -9.255 1.00 0.00 O ATOM 400 CB CYS A 28 3.833 -13.237 -6.819 1.00 0.00 C ATOM 401 SG CYS A 28 3.160 -11.753 -7.634 1.00 0.00 S ATOM 0 H CYS A 28 4.644 -15.662 -6.557 1.00 0.00 H new ATOM 0 HA CYS A 28 2.028 -14.336 -6.428 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.964 -13.027 -5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.822 -13.446 -7.227 1.00 0.00 H new ATOM 0 HG CYS A 28 2.963 -10.823 -6.748 1.00 0.00 H new ATOM 406 N ILE A 29 1.353 -14.582 -8.787 1.00 0.00 N ATOM 407 CA ILE A 29 0.908 -14.770 -10.163 1.00 0.00 C ATOM 408 C ILE A 29 1.135 -13.510 -10.991 1.00 0.00 C ATOM 409 O ILE A 29 1.363 -13.581 -12.199 1.00 0.00 O ATOM 410 CB ILE A 29 -0.584 -15.149 -10.224 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.434 -14.077 -9.539 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.812 -16.507 -9.578 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.847 -13.994 -10.073 1.00 0.00 C ATOM 0 H ILE A 29 0.608 -14.350 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 29 1.500 -15.586 -10.578 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.886 -15.211 -11.270 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.470 -14.282 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.950 -13.108 -9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.871 -16.761 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.232 -17.263 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.497 -16.471 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.391 -13.213 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.821 -13.758 -11.137 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.348 -14.951 -9.926 1.00 0.00 H new ATOM 425 N ILE A 30 1.074 -12.357 -10.333 1.00 0.00 N ATOM 426 CA ILE A 30 1.276 -11.081 -11.008 1.00 0.00 C ATOM 427 C ILE A 30 2.634 -11.034 -11.700 1.00 0.00 C ATOM 428 O ILE A 30 2.750 -10.572 -12.835 1.00 0.00 O ATOM 429 CB ILE A 30 1.173 -9.901 -10.024 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.201 -9.888 -9.351 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.428 -8.586 -10.745 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.266 -9.001 -8.127 1.00 0.00 C ATOM 0 H ILE A 30 0.886 -12.280 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 30 0.487 -10.991 -11.755 1.00 0.00 H new ATOM 0 HB ILE A 30 1.933 -10.023 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.947 -9.553 -10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.467 -10.906 -9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.352 -7.762 -10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.427 -8.598 -11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.689 -8.455 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.269 -9.041 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.456 -9.348 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.032 -7.974 -8.409 1.00 0.00 H new ATOM 444 N CYS A 31 3.661 -11.517 -11.008 1.00 0.00 N ATOM 445 CA CYS A 31 5.012 -11.533 -11.555 1.00 0.00 C ATOM 446 C CYS A 31 5.492 -12.964 -11.779 1.00 0.00 C ATOM 447 O CYS A 31 6.620 -13.190 -12.216 1.00 0.00 O ATOM 448 CB CYS A 31 5.974 -10.802 -10.616 1.00 0.00 C ATOM 449 SG CYS A 31 6.172 -11.596 -8.989 1.00 0.00 S ATOM 0 H CYS A 31 3.583 -11.903 -10.067 1.00 0.00 H new ATOM 0 HA CYS A 31 4.993 -11.020 -12.517 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.950 -10.733 -11.096 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.617 -9.782 -10.470 1.00 0.00 H new ATOM 0 HG CYS A 31 5.069 -11.477 -8.311 1.00 0.00 H new ATOM 454 N MET A 32 4.627 -13.927 -11.476 1.00 0.00 N ATOM 455 CA MET A 32 4.962 -15.336 -11.645 1.00 0.00 C ATOM 456 C MET A 32 6.330 -15.645 -11.044 1.00 0.00 C ATOM 457 O MET A 32 7.167 -16.282 -11.682 1.00 0.00 O ATOM 458 CB MET A 32 4.947 -15.711 -13.128 1.00 0.00 C ATOM 459 CG MET A 32 3.548 -15.832 -13.710 1.00 0.00 C ATOM 460 SD MET A 32 3.463 -17.006 -15.076 1.00 0.00 S ATOM 461 CE MET A 32 1.737 -17.480 -15.008 1.00 0.00 C ATOM 0 H MET A 32 3.689 -13.757 -11.112 1.00 0.00 H new ATOM 0 HA MET A 32 4.212 -15.928 -11.120 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.502 -14.960 -13.690 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.470 -16.658 -13.260 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.858 -16.143 -12.926 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.217 -14.853 -14.056 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.528 -18.205 -15.794 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.520 -17.925 -14.037 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.112 -16.599 -15.151 1.00 0.00 H new ATOM 471 N GLU A 33 6.548 -15.190 -9.815 1.00 0.00 N ATOM 472 CA GLU A 33 7.815 -15.419 -9.130 1.00 0.00 C ATOM 473 C GLU A 33 7.585 -15.768 -7.662 1.00 0.00 C ATOM 474 O GLU A 33 6.523 -15.488 -7.104 1.00 0.00 O ATOM 475 CB GLU A 33 8.708 -14.181 -9.237 1.00 0.00 C ATOM 476 CG GLU A 33 9.336 -14.001 -10.609 1.00 0.00 C ATOM 477 CD GLU A 33 10.666 -14.717 -10.740 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.332 -14.927 -9.705 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.041 -15.067 -11.879 1.00 0.00 O ATOM 0 H GLU A 33 5.865 -14.661 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 33 8.312 -16.261 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.118 -13.296 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.499 -14.248 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.650 -14.374 -11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.479 -12.938 -10.802 1.00 0.00 H new ATOM 486 N LYS A 34 8.587 -16.381 -7.042 1.00 0.00 N ATOM 487 CA LYS A 34 8.497 -16.768 -5.639 1.00 0.00 C ATOM 488 C LYS A 34 8.577 -15.546 -4.730 1.00 0.00 C ATOM 489 O LYS A 34 9.565 -14.810 -4.748 1.00 0.00 O ATOM 490 CB LYS A 34 9.614 -17.752 -5.288 1.00 0.00 C ATOM 491 CG LYS A 34 9.253 -19.204 -5.554 1.00 0.00 C ATOM 492 CD LYS A 34 9.641 -19.626 -6.961 1.00 0.00 C ATOM 493 CE LYS A 34 8.595 -19.199 -7.979 1.00 0.00 C ATOM 494 NZ LYS A 34 8.532 -20.136 -9.135 1.00 0.00 N ATOM 0 H LYS A 34 9.472 -16.621 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 34 7.533 -17.251 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.505 -17.497 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.870 -17.637 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.757 -19.844 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.181 -19.345 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.604 -19.187 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.764 -20.708 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.618 -19.150 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.825 -18.195 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.808 -19.811 -9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.457 -20.164 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.288 -21.089 -8.797 1.00 0.00 H new ATOM 508 N LEU A 35 7.533 -15.334 -3.937 1.00 0.00 N ATOM 509 CA LEU A 35 7.486 -14.201 -3.019 1.00 0.00 C ATOM 510 C LEU A 35 8.829 -14.010 -2.322 1.00 0.00 C ATOM 511 O LEU A 35 9.210 -12.889 -1.984 1.00 0.00 O ATOM 512 CB LEU A 35 6.384 -14.407 -1.979 1.00 0.00 C ATOM 513 CG LEU A 35 4.957 -14.498 -2.522 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.068 -15.270 -1.560 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.393 -13.108 -2.774 1.00 0.00 C ATOM 0 H LEU A 35 6.707 -15.932 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 35 7.267 -13.304 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.600 -15.321 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.428 -13.585 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 35 4.983 -15.035 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.057 -15.324 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.462 -16.278 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.047 -14.762 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.377 -13.192 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.381 -12.545 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.016 -12.589 -3.502 1.00 0.00 H new ATOM 527 N ALA A 36 9.544 -15.110 -2.112 1.00 0.00 N ATOM 528 CA ALA A 36 10.846 -15.063 -1.459 1.00 0.00 C ATOM 529 C ALA A 36 11.794 -14.120 -2.193 1.00 0.00 C ATOM 530 O ALA A 36 12.518 -13.342 -1.571 1.00 0.00 O ATOM 531 CB ALA A 36 11.446 -16.459 -1.376 1.00 0.00 C ATOM 0 H ALA A 36 9.243 -16.046 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 36 10.705 -14.680 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.418 -16.409 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.783 -17.106 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.567 -16.863 -2.381 1.00 0.00 H new ATOM 537 N VAL A 37 11.786 -14.196 -3.521 1.00 0.00 N ATOM 538 CA VAL A 37 12.645 -13.349 -4.340 1.00 0.00 C ATOM 539 C VAL A 37 12.059 -11.950 -4.485 1.00 0.00 C ATOM 540 O VAL A 37 10.979 -11.661 -3.972 1.00 0.00 O ATOM 541 CB VAL A 37 12.858 -13.954 -5.740 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.210 -15.430 -5.638 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.620 -13.751 -6.601 1.00 0.00 C ATOM 0 H VAL A 37 11.194 -14.835 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 37 13.607 -13.285 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 37 13.693 -13.439 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.357 -15.839 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.127 -15.546 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.399 -15.964 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.787 -14.184 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.766 -14.238 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.419 -12.685 -6.703 1.00 0.00 H new ATOM 553 N ALA A 38 12.780 -11.083 -5.190 1.00 0.00 N ATOM 554 CA ALA A 38 12.330 -9.713 -5.406 1.00 0.00 C ATOM 555 C ALA A 38 11.141 -9.670 -6.359 1.00 0.00 C ATOM 556 O ALA A 38 10.843 -10.651 -7.041 1.00 0.00 O ATOM 557 CB ALA A 38 13.471 -8.862 -5.943 1.00 0.00 C ATOM 0 H ALA A 38 13.677 -11.305 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 38 12.008 -9.306 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.121 -7.842 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.291 -8.858 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.819 -9.276 -6.889 1.00 0.00 H new ATOM 563 N SER A 39 10.463 -8.527 -6.401 1.00 0.00 N ATOM 564 CA SER A 39 9.303 -8.358 -7.268 1.00 0.00 C ATOM 565 C SER A 39 9.733 -7.994 -8.686 1.00 0.00 C ATOM 566 O SER A 39 10.620 -7.166 -8.885 1.00 0.00 O ATOM 567 CB SER A 39 8.377 -7.275 -6.710 1.00 0.00 C ATOM 568 OG SER A 39 7.276 -7.051 -7.574 1.00 0.00 O ATOM 0 H SER A 39 10.697 -7.705 -5.845 1.00 0.00 H new ATOM 0 HA SER A 39 8.764 -9.305 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.016 -7.573 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.935 -6.348 -6.578 1.00 0.00 H new ATOM 0 HG SER A 39 6.828 -7.902 -7.760 1.00 0.00 H new ATOM 574 N GLY A 40 9.095 -8.621 -9.670 1.00 0.00 N ATOM 575 CA GLY A 40 9.424 -8.352 -11.058 1.00 0.00 C ATOM 576 C GLY A 40 9.197 -6.902 -11.436 1.00 0.00 C ATOM 577 O GLY A 40 9.916 -6.350 -12.270 1.00 0.00 O ATOM 0 H GLY A 40 8.356 -9.310 -9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.467 -8.612 -11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.820 -8.991 -11.702 1.00 0.00 H new ATOM 581 N TYR A 41 8.193 -6.283 -10.825 1.00 0.00 N ATOM 582 CA TYR A 41 7.870 -4.889 -11.105 1.00 0.00 C ATOM 583 C TYR A 41 8.892 -3.953 -10.466 1.00 0.00 C ATOM 584 O TYR A 41 9.011 -2.790 -10.850 1.00 0.00 O ATOM 585 CB TYR A 41 6.467 -4.556 -10.595 1.00 0.00 C ATOM 586 CG TYR A 41 5.360 -5.150 -11.435 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.226 -6.526 -11.572 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.446 -4.335 -12.093 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.217 -7.073 -12.340 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.433 -4.874 -12.862 1.00 0.00 C ATOM 591 CZ TYR A 41 3.322 -6.243 -12.982 1.00 0.00 C ATOM 592 OH TYR A 41 2.314 -6.784 -13.747 1.00 0.00 O ATOM 0 H TYR A 41 7.589 -6.725 -10.132 1.00 0.00 H new ATOM 0 HA TYR A 41 7.900 -4.746 -12.185 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.367 -4.916 -9.571 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.348 -3.473 -10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.923 -7.180 -11.069 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.529 -3.262 -12.001 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.129 -8.145 -12.437 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.731 -4.226 -13.367 1.00 0.00 H new ATOM 0 HH TYR A 41 1.771 -6.063 -14.129 1.00 0.00 H new ATOM 602 N SER A 42 9.627 -4.471 -9.487 1.00 0.00 N ATOM 603 CA SER A 42 10.636 -3.683 -8.790 1.00 0.00 C ATOM 604 C SER A 42 11.358 -2.748 -9.757 1.00 0.00 C ATOM 605 O SER A 42 11.841 -1.685 -9.365 1.00 0.00 O ATOM 606 CB SER A 42 11.647 -4.603 -8.103 1.00 0.00 C ATOM 607 OG SER A 42 12.580 -5.122 -9.034 1.00 0.00 O ATOM 0 H SER A 42 9.542 -5.433 -9.159 1.00 0.00 H new ATOM 0 HA SER A 42 10.133 -3.079 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.174 -4.052 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.122 -5.424 -7.613 1.00 0.00 H new ATOM 0 HG SER A 42 12.282 -6.004 -9.339 1.00 0.00 H new ATOM 613 N ASP A 43 11.426 -3.152 -11.020 1.00 0.00 N ATOM 614 CA ASP A 43 12.087 -2.351 -12.044 1.00 0.00 C ATOM 615 C ASP A 43 11.209 -1.176 -12.466 1.00 0.00 C ATOM 616 O ASP A 43 11.659 -0.031 -12.492 1.00 0.00 O ATOM 617 CB ASP A 43 12.421 -3.216 -13.261 1.00 0.00 C ATOM 618 CG ASP A 43 13.154 -4.488 -12.883 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.353 -4.403 -12.543 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.529 -5.567 -12.926 1.00 0.00 O ATOM 0 H ASP A 43 11.032 -4.029 -11.360 1.00 0.00 H new ATOM 0 HA ASP A 43 13.012 -1.958 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.500 -3.473 -13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.033 -2.640 -13.956 1.00 0.00 H new ATOM 625 N MET A 44 9.956 -1.469 -12.795 1.00 0.00 N ATOM 626 CA MET A 44 9.015 -0.436 -13.215 1.00 0.00 C ATOM 627 C MET A 44 8.610 0.442 -12.036 1.00 0.00 C ATOM 628 O MET A 44 8.639 1.670 -12.124 1.00 0.00 O ATOM 629 CB MET A 44 7.773 -1.072 -13.843 1.00 0.00 C ATOM 630 CG MET A 44 6.755 -0.057 -14.336 1.00 0.00 C ATOM 631 SD MET A 44 5.521 -0.787 -15.430 1.00 0.00 S ATOM 632 CE MET A 44 4.013 -0.404 -14.542 1.00 0.00 C ATOM 0 H MET A 44 9.568 -2.412 -12.779 1.00 0.00 H new ATOM 0 HA MET A 44 9.509 0.190 -13.958 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.080 -1.702 -14.678 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.298 -1.724 -13.110 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.254 0.395 -13.480 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.273 0.745 -14.862 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.157 -0.792 -15.094 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.046 -0.863 -13.554 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.917 0.677 -14.437 1.00 0.00 H new ATOM 642 N THR A 45 8.231 -0.194 -10.932 1.00 0.00 N ATOM 643 CA THR A 45 7.819 0.529 -9.736 1.00 0.00 C ATOM 644 C THR A 45 9.019 0.876 -8.862 1.00 0.00 C ATOM 645 O THR A 45 9.734 -0.010 -8.393 1.00 0.00 O ATOM 646 CB THR A 45 6.812 -0.287 -8.905 1.00 0.00 C ATOM 647 OG1 THR A 45 7.338 -1.593 -8.641 1.00 0.00 O ATOM 648 CG2 THR A 45 5.482 -0.409 -9.633 1.00 0.00 C ATOM 0 H THR A 45 8.201 -1.210 -10.842 1.00 0.00 H new ATOM 0 HA THR A 45 7.340 1.449 -10.072 1.00 0.00 H new ATOM 0 HB THR A 45 6.646 0.235 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.621 -2.257 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.787 -0.990 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.070 0.585 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.635 -0.910 -10.589 1.00 0.00 H new ATOM 656 N ASP A 46 9.234 2.169 -8.646 1.00 0.00 N ATOM 657 CA ASP A 46 10.347 2.633 -7.826 1.00 0.00 C ATOM 658 C ASP A 46 9.842 3.263 -6.531 1.00 0.00 C ATOM 659 O ASP A 46 10.403 4.247 -6.048 1.00 0.00 O ATOM 660 CB ASP A 46 11.195 3.641 -8.602 1.00 0.00 C ATOM 661 CG ASP A 46 12.608 3.746 -8.064 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.356 2.750 -8.162 1.00 0.00 O ATOM 663 OD2 ASP A 46 12.966 4.823 -7.545 1.00 0.00 O ATOM 0 H ASP A 46 8.652 2.915 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 46 10.964 1.771 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.230 3.350 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.719 4.621 -8.559 1.00 0.00 H new ATOM 668 N SER A 47 8.780 2.690 -5.975 1.00 0.00 N ATOM 669 CA SER A 47 8.196 3.199 -4.739 1.00 0.00 C ATOM 670 C SER A 47 9.255 3.316 -3.647 1.00 0.00 C ATOM 671 O SER A 47 10.254 2.596 -3.653 1.00 0.00 O ATOM 672 CB SER A 47 7.063 2.284 -4.271 1.00 0.00 C ATOM 673 OG SER A 47 6.283 2.911 -3.267 1.00 0.00 O ATOM 0 H SER A 47 8.306 1.873 -6.360 1.00 0.00 H new ATOM 0 HA SER A 47 7.792 4.192 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.429 2.022 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.479 1.353 -3.885 1.00 0.00 H new ATOM 0 HG SER A 47 5.565 2.307 -2.986 1.00 0.00 H new ATOM 679 N LYS A 48 9.029 4.229 -2.708 1.00 0.00 N ATOM 680 CA LYS A 48 9.961 4.442 -1.607 1.00 0.00 C ATOM 681 C LYS A 48 9.496 3.711 -0.352 1.00 0.00 C ATOM 682 O LYS A 48 10.260 2.970 0.265 1.00 0.00 O ATOM 683 CB LYS A 48 10.105 5.937 -1.316 1.00 0.00 C ATOM 684 CG LYS A 48 11.210 6.261 -0.325 1.00 0.00 C ATOM 685 CD LYS A 48 12.533 6.511 -1.027 1.00 0.00 C ATOM 686 CE LYS A 48 13.670 6.680 -0.031 1.00 0.00 C ATOM 687 NZ LYS A 48 14.272 5.372 0.351 1.00 0.00 N ATOM 0 H LYS A 48 8.208 4.834 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 48 10.931 4.041 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.301 6.463 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.159 6.316 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.933 7.141 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.321 5.437 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.754 5.679 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.454 7.405 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.439 7.321 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.299 7.184 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.043 5.530 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.545 4.769 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.649 4.903 -0.497 1.00 0.00 H new ATOM 701 N ALA A 49 8.238 3.925 0.020 1.00 0.00 N ATOM 702 CA ALA A 49 7.670 3.283 1.199 1.00 0.00 C ATOM 703 C ALA A 49 7.642 1.767 1.040 1.00 0.00 C ATOM 704 O ALA A 49 8.131 1.033 1.900 1.00 0.00 O ATOM 705 CB ALA A 49 6.270 3.814 1.466 1.00 0.00 C ATOM 0 H ALA A 49 7.593 4.538 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 49 8.305 3.520 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.858 3.326 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.315 4.890 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.632 3.607 0.607 1.00 0.00 H new ATOM 711 N LEU A 50 7.067 1.304 -0.064 1.00 0.00 N ATOM 712 CA LEU A 50 6.974 -0.127 -0.336 1.00 0.00 C ATOM 713 C LEU A 50 8.289 -0.661 -0.893 1.00 0.00 C ATOM 714 O LEU A 50 9.156 0.106 -1.311 1.00 0.00 O ATOM 715 CB LEU A 50 5.838 -0.406 -1.322 1.00 0.00 C ATOM 716 CG LEU A 50 4.450 0.077 -0.901 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.479 -0.009 -2.068 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.939 -0.734 0.281 1.00 0.00 C ATOM 0 H LEU A 50 6.658 1.898 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 50 6.764 -0.638 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.089 0.059 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.790 -1.481 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 50 4.527 1.120 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.496 0.339 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.838 0.615 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.406 -1.043 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.950 -0.376 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.878 -1.786 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.623 -0.621 1.122 1.00 0.00 H new ATOM 730 N GLY A 51 8.431 -1.984 -0.897 1.00 0.00 N ATOM 731 CA GLY A 51 9.642 -2.599 -1.407 1.00 0.00 C ATOM 732 C GLY A 51 9.361 -3.844 -2.224 1.00 0.00 C ATOM 733 O GLY A 51 8.291 -4.445 -2.129 1.00 0.00 O ATOM 0 H GLY A 51 7.728 -2.640 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.180 -1.878 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.295 -2.856 -0.572 1.00 0.00 H new ATOM 737 N PRO A 52 10.337 -4.247 -3.050 1.00 0.00 N ATOM 738 CA PRO A 52 10.212 -5.432 -3.904 1.00 0.00 C ATOM 739 C PRO A 52 10.221 -6.729 -3.101 1.00 0.00 C ATOM 740 O PRO A 52 9.392 -7.612 -3.321 1.00 0.00 O ATOM 741 CB PRO A 52 11.447 -5.352 -4.805 1.00 0.00 C ATOM 742 CG PRO A 52 12.439 -4.565 -4.019 1.00 0.00 C ATOM 743 CD PRO A 52 11.639 -3.579 -3.214 1.00 0.00 C ATOM 0 HA PRO A 52 9.269 -5.443 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.828 -6.345 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.215 -4.864 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.026 -5.214 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.141 -4.053 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.108 -3.372 -2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.539 -2.625 -3.732 1.00 0.00 H new ATOM 751 N MET A 53 11.164 -6.837 -2.170 1.00 0.00 N ATOM 752 CA MET A 53 11.278 -8.026 -1.334 1.00 0.00 C ATOM 753 C MET A 53 10.113 -8.116 -0.354 1.00 0.00 C ATOM 754 O MET A 53 9.741 -9.204 0.085 1.00 0.00 O ATOM 755 CB MET A 53 12.603 -8.011 -0.569 1.00 0.00 C ATOM 756 CG MET A 53 13.825 -8.116 -1.467 1.00 0.00 C ATOM 757 SD MET A 53 13.771 -9.559 -2.547 1.00 0.00 S ATOM 758 CE MET A 53 14.395 -10.828 -1.447 1.00 0.00 C ATOM 0 H MET A 53 11.859 -6.116 -1.976 1.00 0.00 H new ATOM 0 HA MET A 53 11.251 -8.901 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.667 -7.091 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.612 -8.838 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.903 -7.215 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.722 -8.162 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.506 -11.763 -1.996 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.364 -10.523 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.696 -10.971 -0.623 1.00 0.00 H new ATOM 768 N VAL A 54 9.540 -6.965 -0.015 1.00 0.00 N ATOM 769 CA VAL A 54 8.416 -6.915 0.912 1.00 0.00 C ATOM 770 C VAL A 54 7.257 -7.774 0.419 1.00 0.00 C ATOM 771 O VAL A 54 7.033 -7.901 -0.785 1.00 0.00 O ATOM 772 CB VAL A 54 7.920 -5.471 1.115 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.617 -5.459 1.900 1.00 0.00 C ATOM 774 CG2 VAL A 54 8.982 -4.636 1.816 1.00 0.00 C ATOM 0 H VAL A 54 9.836 -6.055 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 54 8.774 -7.306 1.864 1.00 0.00 H new ATOM 0 HB VAL A 54 7.731 -5.030 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.282 -4.430 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.858 -6.020 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.776 -5.918 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.614 -3.619 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.205 -5.073 2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.888 -4.617 1.210 1.00 0.00 H new ATOM 784 N VAL A 55 6.523 -8.363 1.357 1.00 0.00 N ATOM 785 CA VAL A 55 5.385 -9.209 1.018 1.00 0.00 C ATOM 786 C VAL A 55 4.347 -9.208 2.135 1.00 0.00 C ATOM 787 O VAL A 55 4.690 -9.209 3.316 1.00 0.00 O ATOM 788 CB VAL A 55 5.826 -10.659 0.745 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.634 -11.513 0.340 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.906 -10.694 -0.326 1.00 0.00 C ATOM 0 H VAL A 55 6.696 -8.270 2.358 1.00 0.00 H new ATOM 0 HA VAL A 55 4.941 -8.795 0.113 1.00 0.00 H new ATOM 0 HB VAL A 55 6.243 -11.073 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.965 -12.534 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.897 -11.513 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.184 -11.104 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.206 -11.726 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.518 -10.262 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.769 -10.119 0.009 1.00 0.00 H new ATOM 800 N GLY A 56 3.074 -9.204 1.752 1.00 0.00 N ATOM 801 CA GLY A 56 2.004 -9.203 2.732 1.00 0.00 C ATOM 802 C GLY A 56 0.776 -9.950 2.252 1.00 0.00 C ATOM 803 O GLY A 56 0.417 -9.877 1.076 1.00 0.00 O ATOM 0 H GLY A 56 2.765 -9.201 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.362 -9.656 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.731 -8.174 2.966 1.00 0.00 H new ATOM 807 N ARG A 57 0.130 -10.671 3.162 1.00 0.00 N ATOM 808 CA ARG A 57 -1.064 -11.437 2.824 1.00 0.00 C ATOM 809 C ARG A 57 -2.325 -10.612 3.063 1.00 0.00 C ATOM 810 O ARG A 57 -2.440 -9.910 4.069 1.00 0.00 O ATOM 811 CB ARG A 57 -1.120 -12.725 3.648 1.00 0.00 C ATOM 812 CG ARG A 57 -0.501 -13.923 2.947 1.00 0.00 C ATOM 813 CD ARG A 57 -0.951 -15.231 3.580 1.00 0.00 C ATOM 814 NE ARG A 57 -0.704 -15.256 5.019 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.888 -16.331 5.777 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.318 -17.463 5.236 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.641 -16.276 7.080 1.00 0.00 N ATOM 0 H ARG A 57 0.413 -10.741 4.139 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.013 -11.693 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.606 -12.563 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.160 -12.950 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.778 -13.913 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.586 -13.851 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.015 -15.378 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.427 -16.062 3.108 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.372 -14.401 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.508 -17.510 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.458 -18.287 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.310 -15.408 7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.783 -17.102 7.661 1.00 0.00 H new ATOM 831 N LEU A 58 -3.269 -10.700 2.132 1.00 0.00 N ATOM 832 CA LEU A 58 -4.522 -9.962 2.241 1.00 0.00 C ATOM 833 C LEU A 58 -5.262 -10.331 3.523 1.00 0.00 C ATOM 834 O LEU A 58 -4.850 -11.233 4.253 1.00 0.00 O ATOM 835 CB LEU A 58 -5.410 -10.244 1.027 1.00 0.00 C ATOM 836 CG LEU A 58 -4.969 -9.603 -0.290 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.377 -10.473 -1.469 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.558 -8.206 -0.426 1.00 0.00 C ATOM 0 H LEU A 58 -3.190 -11.275 1.293 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.287 -8.898 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.463 -11.323 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.420 -9.903 1.254 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.882 -9.519 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.055 -10.002 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.908 -11.453 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.461 -10.589 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.234 -7.765 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.646 -8.267 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.216 -7.585 0.402 1.00 0.00 H new ATOM 850 N THR A 59 -6.358 -9.628 3.790 1.00 0.00 N ATOM 851 CA THR A 59 -7.157 -9.882 4.983 1.00 0.00 C ATOM 852 C THR A 59 -8.525 -10.446 4.619 1.00 0.00 C ATOM 853 O THR A 59 -9.259 -10.929 5.481 1.00 0.00 O ATOM 854 CB THR A 59 -7.348 -8.599 5.814 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.035 -7.610 5.039 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.007 -8.048 6.275 1.00 0.00 C ATOM 0 H THR A 59 -6.713 -8.878 3.196 1.00 0.00 H new ATOM 0 HA THR A 59 -6.612 -10.615 5.578 1.00 0.00 H new ATOM 0 HB THR A 59 -7.942 -8.848 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.154 -6.798 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.167 -7.142 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.500 -8.792 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.391 -7.815 5.406 1.00 0.00 H new ATOM 864 N LYS A 60 -8.864 -10.383 3.335 1.00 0.00 N ATOM 865 CA LYS A 60 -10.144 -10.889 2.855 1.00 0.00 C ATOM 866 C LYS A 60 -10.031 -12.355 2.449 1.00 0.00 C ATOM 867 O LYS A 60 -10.783 -13.203 2.931 1.00 0.00 O ATOM 868 CB LYS A 60 -10.633 -10.056 1.668 1.00 0.00 C ATOM 869 CG LYS A 60 -12.146 -9.956 1.577 1.00 0.00 C ATOM 870 CD LYS A 60 -12.696 -8.928 2.551 1.00 0.00 C ATOM 871 CE LYS A 60 -13.989 -8.311 2.039 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.801 -7.728 3.143 1.00 0.00 N ATOM 0 H LYS A 60 -8.269 -9.986 2.608 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.866 -10.810 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.215 -9.052 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.250 -10.493 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.433 -9.686 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.589 -10.930 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.874 -9.400 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.956 -8.144 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.757 -7.535 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.574 -9.071 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.673 -7.318 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.044 -8.474 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.253 -6.985 3.622 1.00 0.00 H new ATOM 886 N CYS A 61 -9.087 -12.647 1.561 1.00 0.00 N ATOM 887 CA CYS A 61 -8.874 -14.010 1.090 1.00 0.00 C ATOM 888 C CYS A 61 -7.548 -14.563 1.604 1.00 0.00 C ATOM 889 O CYS A 61 -7.192 -15.709 1.329 1.00 0.00 O ATOM 890 CB CYS A 61 -8.899 -14.054 -0.439 1.00 0.00 C ATOM 891 SG CYS A 61 -7.932 -12.732 -1.236 1.00 0.00 S ATOM 0 H CYS A 61 -8.457 -11.957 1.153 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.681 -14.631 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.517 -15.019 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.933 -13.987 -0.777 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.438 -12.468 -2.404 1.00 0.00 H new ATOM 896 N SER A 62 -6.821 -13.740 2.353 1.00 0.00 N ATOM 897 CA SER A 62 -5.532 -14.144 2.902 1.00 0.00 C ATOM 898 C SER A 62 -4.621 -14.688 1.807 1.00 0.00 C ATOM 899 O SER A 62 -3.985 -15.730 1.973 1.00 0.00 O ATOM 900 CB SER A 62 -5.727 -15.200 3.991 1.00 0.00 C ATOM 901 OG SER A 62 -5.959 -16.479 3.426 1.00 0.00 O ATOM 0 H SER A 62 -7.103 -12.790 2.593 1.00 0.00 H new ATOM 0 HA SER A 62 -5.059 -13.264 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.844 -15.236 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.568 -14.921 4.626 1.00 0.00 H new ATOM 0 HG SER A 62 -6.713 -16.429 2.802 1.00 0.00 H new ATOM 907 N HIS A 63 -4.562 -13.976 0.686 1.00 0.00 N ATOM 908 CA HIS A 63 -3.729 -14.387 -0.438 1.00 0.00 C ATOM 909 C HIS A 63 -2.446 -13.563 -0.493 1.00 0.00 C ATOM 910 O HIS A 63 -2.483 -12.353 -0.714 1.00 0.00 O ATOM 911 CB HIS A 63 -4.498 -14.242 -1.751 1.00 0.00 C ATOM 912 CG HIS A 63 -5.532 -15.305 -1.961 1.00 0.00 C ATOM 913 ND1 HIS A 63 -5.984 -16.275 -1.133 1.00 0.00 N flip ATOM 914 CD2 HIS A 63 -6.228 -15.456 -3.142 1.00 0.00 C flip ATOM 915 CE1 HIS A 63 -6.937 -16.986 -1.820 1.00 0.00 C flip ATOM 916 NE2 HIS A 63 -7.065 -16.472 -3.030 1.00 0.00 N flip ATOM 0 H HIS A 63 -5.081 -13.112 0.532 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.462 -15.434 -0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.983 -13.266 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.791 -14.265 -2.581 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.674 -16.446 -0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.108 -14.840 -4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.492 -17.828 -1.434 1.00 0.00 H new ATOM 924 N ALA A 64 -1.313 -14.227 -0.290 1.00 0.00 N ATOM 925 CA ALA A 64 -0.019 -13.556 -0.317 1.00 0.00 C ATOM 926 C ALA A 64 0.233 -12.905 -1.672 1.00 0.00 C ATOM 927 O ALA A 64 -0.091 -13.473 -2.715 1.00 0.00 O ATOM 928 CB ALA A 64 1.093 -14.541 0.013 1.00 0.00 C ATOM 0 H ALA A 64 -1.265 -15.229 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.029 -12.770 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.054 -14.027 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.928 -14.956 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.095 -15.347 -0.721 1.00 0.00 H new ATOM 934 N PHE A 65 0.813 -11.709 -1.650 1.00 0.00 N ATOM 935 CA PHE A 65 1.107 -10.979 -2.878 1.00 0.00 C ATOM 936 C PHE A 65 2.092 -9.845 -2.614 1.00 0.00 C ATOM 937 O PHE A 65 1.962 -9.110 -1.634 1.00 0.00 O ATOM 938 CB PHE A 65 -0.182 -10.421 -3.486 1.00 0.00 C ATOM 939 CG PHE A 65 -0.868 -11.376 -4.419 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.443 -11.510 -5.731 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.939 -12.141 -3.985 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.072 -12.389 -6.593 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.572 -13.021 -4.842 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.139 -13.145 -6.147 1.00 0.00 C ATOM 0 H PHE A 65 1.089 -11.225 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 65 1.562 -11.674 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.868 -10.156 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.048 -9.502 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.390 -10.920 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.283 -12.048 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.730 -12.485 -7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.405 -13.612 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.633 -13.832 -6.818 1.00 0.00 H new ATOM 954 N HIS A 66 3.078 -9.707 -3.495 1.00 0.00 N ATOM 955 CA HIS A 66 4.086 -8.662 -3.357 1.00 0.00 C ATOM 956 C HIS A 66 3.431 -7.299 -3.151 1.00 0.00 C ATOM 957 O HIS A 66 2.883 -6.715 -4.086 1.00 0.00 O ATOM 958 CB HIS A 66 4.986 -8.627 -4.593 1.00 0.00 C ATOM 959 CG HIS A 66 5.935 -9.782 -4.676 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.668 -10.925 -5.399 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.156 -9.966 -4.122 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.683 -11.763 -5.285 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.600 -11.205 -4.516 1.00 0.00 N ATOM 0 H HIS A 66 3.200 -10.306 -4.312 1.00 0.00 H new ATOM 0 HA HIS A 66 4.693 -8.890 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.362 -8.615 -5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.556 -7.698 -4.591 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.819 -11.097 -5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.683 -9.269 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.751 -12.739 -5.743 1.00 0.00 H new ATOM 971 N LEU A 67 3.491 -6.800 -1.922 1.00 0.00 N ATOM 972 CA LEU A 67 2.903 -5.506 -1.592 1.00 0.00 C ATOM 973 C LEU A 67 3.186 -4.484 -2.689 1.00 0.00 C ATOM 974 O LEU A 67 2.431 -3.528 -2.871 1.00 0.00 O ATOM 975 CB LEU A 67 3.448 -5.001 -0.256 1.00 0.00 C ATOM 976 CG LEU A 67 3.176 -5.889 0.959 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.572 -5.175 2.242 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.711 -6.297 1.004 1.00 0.00 C ATOM 0 H LEU A 67 3.941 -7.271 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 67 1.824 -5.635 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.526 -4.871 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.024 -4.016 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 67 3.781 -6.791 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.371 -5.822 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.635 -4.934 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.994 -4.256 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.536 -6.929 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.087 -5.406 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.459 -6.849 0.099 1.00 0.00 H new ATOM 990 N LEU A 68 4.277 -4.693 -3.417 1.00 0.00 N ATOM 991 CA LEU A 68 4.659 -3.791 -4.499 1.00 0.00 C ATOM 992 C LEU A 68 3.860 -4.089 -5.764 1.00 0.00 C ATOM 993 O LEU A 68 3.292 -3.186 -6.378 1.00 0.00 O ATOM 994 CB LEU A 68 6.156 -3.914 -4.786 1.00 0.00 C ATOM 995 CG LEU A 68 6.730 -2.917 -5.793 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.897 -1.548 -5.153 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.060 -3.417 -6.340 1.00 0.00 C ATOM 0 H LEU A 68 4.913 -5.478 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 68 4.438 -2.771 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.696 -3.802 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.354 -4.922 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 68 6.029 -2.825 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.307 -0.852 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.928 -1.186 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.577 -1.624 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.454 -2.695 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.768 -3.539 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.912 -4.376 -6.837 1.00 0.00 H new ATOM 1009 N CYS A 69 3.820 -5.360 -6.147 1.00 0.00 N ATOM 1010 CA CYS A 69 3.090 -5.778 -7.337 1.00 0.00 C ATOM 1011 C CYS A 69 1.664 -5.236 -7.319 1.00 0.00 C ATOM 1012 O CYS A 69 1.210 -4.617 -8.283 1.00 0.00 O ATOM 1013 CB CYS A 69 3.065 -7.305 -7.437 1.00 0.00 C ATOM 1014 SG CYS A 69 4.641 -8.040 -7.980 1.00 0.00 S ATOM 0 H CYS A 69 4.285 -6.119 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 69 3.604 -5.372 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.800 -7.718 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.280 -7.600 -8.133 1.00 0.00 H new ATOM 0 HG CYS A 69 5.544 -7.110 -8.073 1.00 0.00 H new ATOM 1019 N LEU A 70 0.961 -5.472 -6.216 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.414 -5.007 -6.071 1.00 0.00 C ATOM 1021 C LEU A 70 -0.525 -3.522 -6.401 1.00 0.00 C ATOM 1022 O LEU A 70 -1.483 -3.088 -7.041 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.912 -5.264 -4.648 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.020 -6.730 -4.228 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.051 -6.851 -2.712 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.256 -7.371 -4.841 1.00 0.00 C ATOM 0 H LEU A 70 1.321 -5.982 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.035 -5.563 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.243 -4.756 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.894 -4.803 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.141 -7.258 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.128 -7.902 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.136 -6.431 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.911 -6.307 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.316 -8.414 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.146 -6.840 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.192 -7.318 -5.928 1.00 0.00 H new ATOM 1038 N LEU A 71 0.462 -2.749 -5.963 1.00 0.00 N ATOM 1039 CA LEU A 71 0.477 -1.312 -6.213 1.00 0.00 C ATOM 1040 C LEU A 71 0.520 -1.021 -7.710 1.00 0.00 C ATOM 1041 O LEU A 71 -0.221 -0.175 -8.209 1.00 0.00 O ATOM 1042 CB LEU A 71 1.679 -0.666 -5.522 1.00 0.00 C ATOM 1043 CG LEU A 71 1.856 0.836 -5.746 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.939 1.624 -4.822 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.307 1.240 -5.532 1.00 0.00 C ATOM 0 H LEU A 71 1.263 -3.093 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.440 -0.887 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.596 -0.846 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.583 -1.172 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 71 1.585 1.065 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.078 2.691 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.098 1.356 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.179 1.390 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.414 2.312 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.606 0.997 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.942 0.701 -6.234 1.00 0.00 H new ATOM 1057 N ALA A 72 1.392 -1.729 -8.420 1.00 0.00 N ATOM 1058 CA ALA A 72 1.529 -1.550 -9.860 1.00 0.00 C ATOM 1059 C ALA A 72 0.235 -1.908 -10.584 1.00 0.00 C ATOM 1060 O ALA A 72 -0.223 -1.172 -11.457 1.00 0.00 O ATOM 1061 CB ALA A 72 2.682 -2.390 -10.390 1.00 0.00 C ATOM 0 H ALA A 72 2.014 -2.432 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 72 1.743 -0.498 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.772 -2.246 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.609 -2.084 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.492 -3.442 -10.179 1.00 0.00 H new ATOM 1067 N MET A 73 -0.349 -3.043 -10.214 1.00 0.00 N ATOM 1068 CA MET A 73 -1.592 -3.498 -10.828 1.00 0.00 C ATOM 1069 C MET A 73 -2.712 -2.488 -10.599 1.00 0.00 C ATOM 1070 O MET A 73 -3.526 -2.238 -11.489 1.00 0.00 O ATOM 1071 CB MET A 73 -1.995 -4.861 -10.263 1.00 0.00 C ATOM 1072 CG MET A 73 -2.975 -5.618 -11.145 1.00 0.00 C ATOM 1073 SD MET A 73 -3.786 -6.975 -10.277 1.00 0.00 S ATOM 1074 CE MET A 73 -4.538 -6.098 -8.907 1.00 0.00 C ATOM 0 H MET A 73 0.018 -3.664 -9.493 1.00 0.00 H new ATOM 0 HA MET A 73 -1.426 -3.592 -11.901 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.100 -5.467 -10.125 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.439 -4.720 -9.278 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.731 -4.927 -11.518 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.447 -6.011 -12.014 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.026 -6.362 -7.981 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.456 -5.024 -9.074 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.590 -6.374 -8.831 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.749 -1.913 -9.402 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.772 -0.933 -9.057 1.00 0.00 C ATOM 1086 C TYR A 74 -3.526 0.389 -9.777 1.00 0.00 C ATOM 1087 O TYR A 74 -4.436 0.961 -10.377 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.800 -0.706 -7.545 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.582 0.520 -7.131 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.957 0.459 -6.940 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -3.947 1.740 -6.932 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.676 1.577 -6.563 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -4.658 2.862 -6.554 1.00 0.00 C ATOM 1094 CZ TYR A 74 -6.022 2.776 -6.370 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.734 3.892 -5.994 1.00 0.00 O ATOM 0 H TYR A 74 -2.083 -2.109 -8.655 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.737 -1.325 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.232 -1.582 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.777 -0.614 -7.181 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.472 -0.478 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.879 1.812 -7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.745 1.512 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.148 3.802 -6.403 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.691 3.682 -5.987 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.288 0.868 -9.713 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.920 2.123 -10.358 1.00 0.00 C ATOM 1107 C CYS A 75 -2.178 2.058 -11.860 1.00 0.00 C ATOM 1108 O CYS A 75 -2.458 3.073 -12.496 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.448 2.443 -10.095 1.00 0.00 C ATOM 1110 SG CYS A 75 0.704 1.563 -11.175 1.00 0.00 S ATOM 0 H CYS A 75 -1.523 0.406 -9.221 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.538 2.915 -9.935 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.294 3.515 -10.214 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.214 2.201 -9.058 1.00 0.00 H new ATOM 0 HG CYS A 75 0.146 0.471 -11.607 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.903 4.249 -5.648 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.992 3.861 -4.252 1.00 0.00 C ATOM 1187 C GLY A 81 -10.537 2.459 -4.074 1.00 0.00 C ATOM 1188 O GLY A 81 -11.635 2.275 -3.548 1.00 0.00 O ATOM 0 HA2 GLY A 81 -9.004 3.924 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.632 4.566 -3.722 1.00 0.00 H new ATOM 1192 N SER A 82 -9.770 1.466 -4.514 1.00 0.00 N ATOM 1193 CA SER A 82 -10.186 0.073 -4.405 1.00 0.00 C ATOM 1194 C SER A 82 -9.085 -0.862 -4.895 1.00 0.00 C ATOM 1195 O SER A 82 -8.350 -0.539 -5.829 1.00 0.00 O ATOM 1196 CB SER A 82 -11.467 -0.164 -5.207 1.00 0.00 C ATOM 1197 OG SER A 82 -11.937 -1.490 -5.038 1.00 0.00 O ATOM 0 H SER A 82 -8.857 1.601 -4.949 1.00 0.00 H new ATOM 0 HA SER A 82 -10.380 -0.141 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.235 0.541 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.279 0.026 -6.264 1.00 0.00 H new ATOM 0 HG SER A 82 -12.757 -1.615 -5.559 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.977 -2.023 -4.258 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.965 -3.007 -4.629 1.00 0.00 C ATOM 1205 C LEU A 83 -8.594 -4.381 -4.839 1.00 0.00 C ATOM 1206 O LEU A 83 -9.216 -4.934 -3.932 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.885 -3.088 -3.549 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.518 -3.601 -4.004 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.531 -5.117 -4.127 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -5.121 -2.961 -5.326 1.00 0.00 C ATOM 0 H LEU A 83 -9.577 -2.306 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.510 -2.689 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.754 -2.095 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.246 -3.735 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.779 -3.324 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.550 -5.464 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.770 -5.558 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.282 -5.416 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.146 -3.338 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.862 -3.207 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.070 -1.879 -5.206 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.425 -4.926 -6.039 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.974 -6.237 -6.367 1.00 0.00 C ATOM 1224 C GLN A 84 -7.869 -7.283 -6.459 1.00 0.00 C ATOM 1225 O GLN A 84 -6.752 -6.986 -6.886 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.745 -6.174 -7.686 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.603 -7.401 -7.949 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.200 -7.409 -9.342 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.939 -6.514 -10.147 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.007 -8.422 -9.635 1.00 0.00 N ATOM 0 H GLN A 84 -7.913 -4.481 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.657 -6.527 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.382 -5.290 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.037 -6.054 -8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.999 -8.298 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.406 -7.442 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.196 -9.142 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.438 -8.480 -10.558 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.186 -8.509 -6.057 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.220 -9.601 -6.093 1.00 0.00 C ATOM 1241 C CYS A 85 -7.216 -10.277 -7.461 1.00 0.00 C ATOM 1242 O CYS A 85 -8.223 -10.817 -7.918 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.539 -10.628 -5.005 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.244 -11.887 -4.769 1.00 0.00 S ATOM 0 H CYS A 85 -9.105 -8.772 -5.702 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.230 -9.184 -5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.698 -10.105 -4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.475 -11.127 -5.255 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.604 -12.708 -3.828 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.054 -10.249 -8.131 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.889 -10.855 -9.455 1.00 0.00 C ATOM 1251 C PRO A 86 -5.936 -12.379 -9.405 1.00 0.00 C ATOM 1252 O PRO A 86 -5.674 -13.050 -10.403 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.503 -10.377 -9.894 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.775 -10.107 -8.623 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.812 -9.623 -7.647 1.00 0.00 C ATOM 0 HA PRO A 86 -6.689 -10.568 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.993 -11.135 -10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.570 -9.480 -10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.284 -11.008 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.998 -9.357 -8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.578 -9.929 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.885 -8.535 -7.644 1.00 0.00 H new ATOM 1263 N SER A 87 -6.271 -12.918 -8.238 1.00 0.00 N ATOM 1264 CA SER A 87 -6.349 -14.363 -8.057 1.00 0.00 C ATOM 1265 C SER A 87 -7.798 -14.814 -7.906 1.00 0.00 C ATOM 1266 O SER A 87 -8.330 -15.530 -8.755 1.00 0.00 O ATOM 1267 CB SER A 87 -5.539 -14.789 -6.831 1.00 0.00 C ATOM 1268 OG SER A 87 -5.631 -16.187 -6.620 1.00 0.00 O ATOM 0 H SER A 87 -6.493 -12.376 -7.403 1.00 0.00 H new ATOM 0 HA SER A 87 -5.930 -14.839 -8.943 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.495 -14.506 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.902 -14.260 -5.950 1.00 0.00 H new ATOM 0 HG SER A 87 -5.104 -16.434 -5.832 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.433 -14.390 -6.818 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.820 -14.750 -6.552 1.00 0.00 C ATOM 1276 C CYS A 88 -10.772 -13.698 -7.114 1.00 0.00 C ATOM 1277 O CYS A 88 -11.988 -13.892 -7.137 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.049 -14.908 -5.048 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.563 -13.454 -4.064 1.00 0.00 S ATOM 0 H CYS A 88 -8.008 -13.796 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.023 -15.700 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.104 -15.116 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.490 -15.775 -4.696 1.00 0.00 H new ATOM 0 HG CYS A 88 -9.024 -13.846 -2.948 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.210 -12.582 -7.568 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.007 -11.499 -8.132 1.00 0.00 C ATOM 1286 C LYS A 89 -11.992 -10.954 -7.102 1.00 0.00 C ATOM 1287 O LYS A 89 -13.166 -10.737 -7.404 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.763 -11.985 -9.370 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.855 -12.472 -10.486 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.399 -11.326 -11.373 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.589 -11.828 -12.559 1.00 0.00 C ATOM 1292 NZ LYS A 89 -9.072 -10.707 -13.391 1.00 0.00 N ATOM 0 H LYS A 89 -9.206 -12.404 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.329 -10.696 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.435 -12.793 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.385 -11.173 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.985 -12.970 -10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.382 -13.212 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.268 -10.774 -11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.798 -10.629 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.754 -12.429 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.210 -12.480 -13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.526 -11.090 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.870 -10.148 -13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.459 -10.099 -12.812 1.00 0.00 H new ATOM 1306 N THR A 90 -11.506 -10.733 -5.884 1.00 0.00 N ATOM 1307 CA THR A 90 -12.343 -10.214 -4.811 1.00 0.00 C ATOM 1308 C THR A 90 -12.090 -8.728 -4.586 1.00 0.00 C ATOM 1309 O THR A 90 -11.012 -8.332 -4.142 1.00 0.00 O ATOM 1310 CB THR A 90 -12.098 -10.970 -3.491 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.423 -12.355 -3.652 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.930 -10.376 -2.364 1.00 0.00 C ATOM 0 H THR A 90 -10.537 -10.906 -5.617 1.00 0.00 H new ATOM 0 HA THR A 90 -13.378 -10.361 -5.119 1.00 0.00 H new ATOM 0 HB THR A 90 -11.044 -10.872 -3.233 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.598 -12.879 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.740 -10.926 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.659 -9.330 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.988 -10.446 -2.617 1.00 0.00 H new ATOM 1320 N ILE A 91 -13.090 -7.909 -4.895 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.976 -6.466 -4.725 1.00 0.00 C ATOM 1322 C ILE A 91 -13.001 -6.082 -3.249 1.00 0.00 C ATOM 1323 O ILE A 91 -13.685 -6.715 -2.444 1.00 0.00 O ATOM 1324 CB ILE A 91 -14.108 -5.721 -5.456 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -14.085 -6.054 -6.950 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.980 -4.220 -5.240 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.424 -5.873 -7.630 1.00 0.00 C ATOM 0 H ILE A 91 -13.988 -8.220 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.020 -6.173 -5.159 1.00 0.00 H new ATOM 0 HB ILE A 91 -15.063 -6.047 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.347 -5.421 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.758 -7.086 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.787 -3.707 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.040 -3.999 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.021 -3.877 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.333 -6.127 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -16.161 -6.526 -7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.744 -4.836 -7.532 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.253 -5.042 -2.901 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.188 -4.574 -1.521 1.00 0.00 C ATOM 1341 C TYR A 92 -12.809 -3.186 -1.387 1.00 0.00 C ATOM 1342 O TYR A 92 -13.639 -2.947 -0.512 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.738 -4.545 -1.038 1.00 0.00 C ATOM 1344 CG TYR A 92 -10.135 -5.918 -0.846 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -10.168 -6.860 -1.867 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.535 -6.274 0.355 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.619 -8.117 -1.697 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.983 -7.528 0.534 1.00 0.00 C ATOM 1349 CZ TYR A 92 -9.028 -8.446 -0.495 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.480 -9.696 -0.320 1.00 0.00 O ATOM 0 H TYR A 92 -11.683 -4.506 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.756 -5.268 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.136 -3.990 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.689 -4.001 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.630 -6.606 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.499 -5.558 1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.653 -8.838 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.519 -7.788 1.474 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.720 -10.268 -1.079 1.00 0.00 H new