USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -99:sc= -4.91! USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= -1.32 (180deg=-3.75!) USER MOD Single : A 21 ASN : amide:sc= -5.07! C(o=-5.1!,f=-5.8!) USER MOD Single : A 22 ASN : amide:sc= -9.65! C(o=-9.6!,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.141) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -1.23! (180deg=-3.5!) USER MOD Single : A 35 MET CE :methyl 137:sc= -1.95 (180deg=-2.45!) USER MOD Single : A 37 SER OG : rot 130:sc= 0.285 USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -0.0762 (180deg=-1.36!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -52:sc= 0.407 USER MOD Single : A 48 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00565 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -44:sc= 0.205 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 74 MET CE :methyl -156:sc= -1.97! (180deg=-3.66!) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.790 -1.209 9.867 1.00 0.00 N ATOM 105 CA CYS A 8 10.842 -1.060 8.725 1.00 0.00 C ATOM 106 C CYS A 8 10.633 -2.413 8.030 1.00 0.00 C ATOM 107 O CYS A 8 9.579 -2.680 7.485 1.00 0.00 O ATOM 108 CB CYS A 8 11.426 -0.046 7.733 1.00 0.00 C ATOM 109 SG CYS A 8 10.579 -0.171 6.139 1.00 0.00 S ATOM 0 HA CYS A 8 9.877 -0.709 9.091 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.322 0.964 8.130 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.493 -0.228 7.601 1.00 0.00 H new ATOM 114 N GLU A 9 11.620 -3.271 8.045 1.00 0.00 N ATOM 115 CA GLU A 9 11.444 -4.608 7.375 1.00 0.00 C ATOM 116 C GLU A 9 10.693 -5.561 8.310 1.00 0.00 C ATOM 117 O GLU A 9 9.959 -6.425 7.872 1.00 0.00 O ATOM 118 CB GLU A 9 12.799 -5.243 6.994 1.00 0.00 C ATOM 119 CG GLU A 9 13.477 -4.405 5.900 1.00 0.00 C ATOM 120 CD GLU A 9 14.974 -4.727 5.858 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.313 -5.893 5.976 1.00 0.00 O ATOM 122 OE2 GLU A 9 15.754 -3.801 5.708 1.00 0.00 O ATOM 0 H GLU A 9 12.528 -3.114 8.482 1.00 0.00 H new ATOM 0 HA GLU A 9 10.874 -4.443 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.443 -5.302 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.647 -6.263 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.022 -4.616 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.329 -3.343 6.097 1.00 0.00 H new ATOM 129 N PHE A 10 10.876 -5.416 9.594 1.00 0.00 N ATOM 130 CA PHE A 10 10.182 -6.323 10.554 1.00 0.00 C ATOM 131 C PHE A 10 8.698 -5.954 10.664 1.00 0.00 C ATOM 132 O PHE A 10 7.870 -6.783 10.988 1.00 0.00 O ATOM 133 CB PHE A 10 10.837 -6.197 11.932 1.00 0.00 C ATOM 134 CG PHE A 10 10.086 -7.049 12.930 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.096 -8.444 12.802 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.380 -6.449 13.981 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.400 -9.237 13.722 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.685 -7.242 14.902 1.00 0.00 C ATOM 139 CZ PHE A 10 8.695 -8.636 14.772 1.00 0.00 C ATOM 0 H PHE A 10 11.476 -4.709 10.020 1.00 0.00 H new ATOM 0 HA PHE A 10 10.265 -7.348 10.192 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.879 -6.512 11.881 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.835 -5.155 12.253 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.641 -8.908 11.993 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.372 -5.374 14.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.407 -10.312 13.622 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.142 -6.779 15.712 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.159 -9.248 15.482 1.00 0.00 H new ATOM 149 N LEU A 11 8.351 -4.722 10.411 1.00 0.00 N ATOM 150 CA LEU A 11 6.917 -4.317 10.520 1.00 0.00 C ATOM 151 C LEU A 11 6.159 -4.712 9.251 1.00 0.00 C ATOM 152 O LEU A 11 5.133 -5.360 9.311 1.00 0.00 O ATOM 153 CB LEU A 11 6.823 -2.801 10.710 1.00 0.00 C ATOM 154 CG LEU A 11 7.740 -2.366 11.855 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.697 -0.842 11.984 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.271 -3.010 13.169 1.00 0.00 C ATOM 0 H LEU A 11 8.994 -3.980 10.135 1.00 0.00 H new ATOM 0 HA LEU A 11 6.473 -4.825 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.108 -2.291 9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.794 -2.515 10.927 1.00 0.00 H new ATOM 0 HG LEU A 11 8.761 -2.686 11.646 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.349 -0.527 12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.035 -0.388 11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.676 -0.523 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.927 -2.698 13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.250 -2.695 13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.303 -4.095 13.074 1.00 0.00 H new ATOM 168 N VAL A 12 6.644 -4.320 8.106 1.00 0.00 N ATOM 169 CA VAL A 12 5.934 -4.666 6.843 1.00 0.00 C ATOM 170 C VAL A 12 5.791 -6.183 6.722 1.00 0.00 C ATOM 171 O VAL A 12 4.878 -6.666 6.094 1.00 0.00 O ATOM 172 CB VAL A 12 6.725 -4.122 5.659 1.00 0.00 C ATOM 173 CG1 VAL A 12 8.087 -4.809 5.588 1.00 0.00 C ATOM 174 CG2 VAL A 12 5.950 -4.366 4.359 1.00 0.00 C ATOM 0 H VAL A 12 7.499 -3.776 7.990 1.00 0.00 H new ATOM 0 HA VAL A 12 4.939 -4.221 6.852 1.00 0.00 H new ATOM 0 HB VAL A 12 6.872 -3.050 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.649 -4.417 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.639 -4.618 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.947 -5.883 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.520 -3.975 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.792 -5.436 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.986 -3.861 4.410 1.00 0.00 H new ATOM 184 N LYS A 13 6.686 -6.928 7.317 1.00 0.00 N ATOM 185 CA LYS A 13 6.608 -8.424 7.248 1.00 0.00 C ATOM 186 C LYS A 13 5.654 -8.945 8.330 1.00 0.00 C ATOM 187 O LYS A 13 4.921 -9.890 8.117 1.00 0.00 O ATOM 188 CB LYS A 13 8.007 -9.001 7.471 1.00 0.00 C ATOM 189 CG LYS A 13 7.989 -10.557 7.396 1.00 0.00 C ATOM 190 CD LYS A 13 8.619 -11.169 8.658 1.00 0.00 C ATOM 191 CE LYS A 13 7.621 -11.105 9.816 1.00 0.00 C ATOM 192 NZ LYS A 13 8.194 -11.797 11.005 1.00 0.00 N ATOM 0 H LYS A 13 7.474 -6.565 7.852 1.00 0.00 H new ATOM 0 HA LYS A 13 6.233 -8.730 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.691 -8.605 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.384 -8.685 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.963 -10.909 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.535 -10.890 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.905 -12.204 8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.529 -10.630 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.396 -10.067 10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.681 -11.575 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.516 -11.754 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.387 -12.791 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.080 -11.330 11.285 1.00 0.00 H new ATOM 206 N GLU A 14 5.651 -8.342 9.487 1.00 0.00 N ATOM 207 CA GLU A 14 4.730 -8.813 10.562 1.00 0.00 C ATOM 208 C GLU A 14 3.306 -8.388 10.200 1.00 0.00 C ATOM 209 O GLU A 14 2.399 -9.190 10.097 1.00 0.00 O ATOM 210 CB GLU A 14 5.131 -8.183 11.898 1.00 0.00 C ATOM 211 CG GLU A 14 4.324 -8.824 13.029 1.00 0.00 C ATOM 212 CD GLU A 14 4.812 -8.284 14.375 1.00 0.00 C ATOM 213 OE1 GLU A 14 4.408 -7.189 14.733 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.578 -8.975 15.025 1.00 0.00 O ATOM 0 H GLU A 14 6.242 -7.548 9.735 1.00 0.00 H new ATOM 0 HA GLU A 14 4.786 -9.898 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.198 -8.324 12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.952 -7.108 11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.263 -8.607 12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.434 -9.908 12.999 1.00 0.00 H new ATOM 221 N VAL A 15 3.103 -7.128 9.978 1.00 0.00 N ATOM 222 CA VAL A 15 1.748 -6.655 9.594 1.00 0.00 C ATOM 223 C VAL A 15 1.239 -7.538 8.458 1.00 0.00 C ATOM 224 O VAL A 15 0.108 -7.963 8.453 1.00 0.00 O ATOM 225 CB VAL A 15 1.821 -5.188 9.149 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.493 -5.087 7.777 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.403 -4.609 9.072 1.00 0.00 C ATOM 0 H VAL A 15 3.816 -6.401 10.045 1.00 0.00 H new ATOM 0 HA VAL A 15 1.065 -6.719 10.441 1.00 0.00 H new ATOM 0 HB VAL A 15 2.409 -4.623 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.540 -4.042 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.503 -5.493 7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.916 -5.654 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.452 -3.567 8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.184 -5.179 8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.068 -4.669 10.053 1.00 0.00 H new ATOM 237 N THR A 16 2.090 -7.843 7.514 1.00 0.00 N ATOM 238 CA THR A 16 1.676 -8.723 6.387 1.00 0.00 C ATOM 239 C THR A 16 1.100 -10.023 6.956 1.00 0.00 C ATOM 240 O THR A 16 0.084 -10.506 6.511 1.00 0.00 O ATOM 241 CB THR A 16 2.903 -9.031 5.515 1.00 0.00 C ATOM 242 OG1 THR A 16 4.054 -8.747 6.264 1.00 0.00 O ATOM 243 CG2 THR A 16 2.877 -8.168 4.250 1.00 0.00 C ATOM 0 H THR A 16 3.056 -7.519 7.477 1.00 0.00 H new ATOM 0 HA THR A 16 0.918 -8.227 5.780 1.00 0.00 H new ATOM 0 HB THR A 16 2.897 -10.079 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.395 -7.862 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.750 -8.393 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.971 -8.382 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.891 -7.114 4.528 1.00 0.00 H new ATOM 251 N LYS A 17 1.749 -10.601 7.932 1.00 0.00 N ATOM 252 CA LYS A 17 1.227 -11.873 8.511 1.00 0.00 C ATOM 253 C LYS A 17 -0.267 -11.716 8.802 1.00 0.00 C ATOM 254 O LYS A 17 -1.043 -12.633 8.620 1.00 0.00 O ATOM 255 CB LYS A 17 1.978 -12.213 9.804 1.00 0.00 C ATOM 256 CG LYS A 17 3.382 -12.713 9.461 1.00 0.00 C ATOM 257 CD LYS A 17 4.179 -12.949 10.750 1.00 0.00 C ATOM 258 CE LYS A 17 3.550 -14.087 11.567 1.00 0.00 C ATOM 259 NZ LYS A 17 2.465 -13.539 12.431 1.00 0.00 N ATOM 0 H LYS A 17 2.611 -10.251 8.350 1.00 0.00 H new ATOM 0 HA LYS A 17 1.378 -12.683 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.040 -11.333 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.435 -12.975 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.319 -13.638 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.895 -11.983 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.212 -13.196 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.201 -12.035 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.148 -14.849 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.309 -14.570 12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.645 -13.799 13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.442 -12.503 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.550 -13.932 12.131 1.00 0.00 H new ATOM 273 N LEU A 18 -0.681 -10.554 9.241 1.00 0.00 N ATOM 274 CA LEU A 18 -2.135 -10.332 9.530 1.00 0.00 C ATOM 275 C LEU A 18 -2.815 -9.740 8.279 1.00 0.00 C ATOM 276 O LEU A 18 -3.931 -10.077 7.949 1.00 0.00 O ATOM 277 CB LEU A 18 -2.248 -9.412 10.780 1.00 0.00 C ATOM 278 CG LEU A 18 -2.725 -7.991 10.426 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.230 -8.006 10.055 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.481 -7.081 11.638 1.00 0.00 C ATOM 0 H LEU A 18 -0.078 -9.749 9.412 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.650 -11.265 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.942 -9.857 11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.278 -9.354 11.273 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.171 -7.616 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.554 -6.995 9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.386 -8.658 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.810 -8.375 10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.813 -6.069 11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.039 -7.459 12.495 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.417 -7.068 11.875 1.00 0.00 H new ATOM 292 N ILE A 19 -2.145 -8.867 7.585 1.00 0.00 N ATOM 293 CA ILE A 19 -2.724 -8.253 6.358 1.00 0.00 C ATOM 294 C ILE A 19 -2.766 -9.315 5.252 1.00 0.00 C ATOM 295 O ILE A 19 -3.463 -9.174 4.267 1.00 0.00 O ATOM 296 CB ILE A 19 -1.794 -7.077 5.961 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.431 -5.727 6.302 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.437 -7.084 4.469 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.358 -4.622 6.265 1.00 0.00 C ATOM 0 H ILE A 19 -1.205 -8.547 7.819 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.738 -7.887 6.520 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.880 -7.216 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.226 -5.499 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.889 -5.769 7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.785 -6.240 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.924 -8.014 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.348 -7.004 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.815 -3.663 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.578 -4.847 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.920 -4.573 5.268 1.00 0.00 H new ATOM 311 N ASP A 20 -1.991 -10.354 5.405 1.00 0.00 N ATOM 312 CA ASP A 20 -1.931 -11.425 4.370 1.00 0.00 C ATOM 313 C ASP A 20 -3.335 -11.714 3.821 1.00 0.00 C ATOM 314 O ASP A 20 -3.557 -11.695 2.627 1.00 0.00 O ATOM 315 CB ASP A 20 -1.357 -12.700 4.991 1.00 0.00 C ATOM 316 CG ASP A 20 -1.348 -13.817 3.947 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.220 -13.504 2.775 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.468 -14.967 4.337 1.00 0.00 O ATOM 0 H ASP A 20 -1.389 -10.508 6.214 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.292 -11.091 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.345 -12.517 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.954 -12.998 5.853 1.00 0.00 H new ATOM 323 N ASN A 21 -4.286 -11.976 4.682 1.00 0.00 N ATOM 324 CA ASN A 21 -5.669 -12.259 4.198 1.00 0.00 C ATOM 325 C ASN A 21 -6.687 -11.984 5.305 1.00 0.00 C ATOM 326 O ASN A 21 -7.309 -12.889 5.824 1.00 0.00 O ATOM 327 CB ASN A 21 -5.780 -13.722 3.775 1.00 0.00 C ATOM 328 CG ASN A 21 -4.735 -14.031 2.701 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.797 -14.764 2.942 1.00 0.00 O ATOM 330 ND2 ASN A 21 -4.860 -13.499 1.516 1.00 0.00 N ATOM 0 H ASN A 21 -4.164 -12.006 5.694 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.877 -11.610 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.632 -14.372 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.780 -13.924 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.170 -13.699 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.648 -12.883 1.314 1.00 0.00 H new ATOM 337 N ASN A 22 -6.869 -10.736 5.657 1.00 0.00 N ATOM 338 CA ASN A 22 -7.858 -10.370 6.720 1.00 0.00 C ATOM 339 C ASN A 22 -8.880 -9.412 6.116 1.00 0.00 C ATOM 340 O ASN A 22 -10.073 -9.580 6.275 1.00 0.00 O ATOM 341 CB ASN A 22 -7.128 -9.697 7.881 1.00 0.00 C ATOM 342 CG ASN A 22 -6.358 -10.758 8.669 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.353 -10.747 9.883 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.700 -11.683 8.020 1.00 0.00 N ATOM 0 H ASN A 22 -6.369 -9.946 5.249 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.364 -11.260 7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.443 -8.937 7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.841 -9.190 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.182 -12.396 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.705 -11.692 7.000 1.00 0.00 H new ATOM 351 N LYS A 23 -8.412 -8.422 5.400 1.00 0.00 N ATOM 352 CA LYS A 23 -9.331 -7.445 4.738 1.00 0.00 C ATOM 353 C LYS A 23 -9.176 -7.602 3.221 1.00 0.00 C ATOM 354 O LYS A 23 -8.121 -7.384 2.662 1.00 0.00 O ATOM 355 CB LYS A 23 -8.981 -6.015 5.194 1.00 0.00 C ATOM 356 CG LYS A 23 -7.616 -5.559 4.623 1.00 0.00 C ATOM 357 CD LYS A 23 -7.825 -4.740 3.331 1.00 0.00 C ATOM 358 CE LYS A 23 -6.579 -4.829 2.444 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.406 -4.275 3.178 1.00 0.00 N ATOM 0 H LYS A 23 -7.420 -8.246 5.243 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.368 -7.635 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.761 -5.327 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.953 -5.975 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.087 -4.957 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.992 -6.428 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.694 -5.115 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.030 -3.699 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.391 -5.866 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.738 -4.275 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.607 -4.162 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.655 -3.350 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.136 -4.926 3.943 1.00 0.00 H new ATOM 373 N THR A 24 -10.217 -8.015 2.551 1.00 0.00 N ATOM 374 CA THR A 24 -10.118 -8.215 1.076 1.00 0.00 C ATOM 375 C THR A 24 -10.332 -6.885 0.349 1.00 0.00 C ATOM 376 O THR A 24 -10.427 -5.838 0.959 1.00 0.00 O ATOM 377 CB THR A 24 -11.171 -9.233 0.634 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.433 -8.873 1.179 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.774 -10.626 1.132 1.00 0.00 C ATOM 0 H THR A 24 -11.129 -8.222 2.959 1.00 0.00 H new ATOM 0 HA THR A 24 -9.125 -8.590 0.826 1.00 0.00 H new ATOM 0 HB THR A 24 -11.236 -9.243 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.109 -9.523 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.524 -11.352 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.806 -10.900 0.713 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.710 -10.619 2.220 1.00 0.00 H new ATOM 387 N GLU A 25 -10.392 -6.921 -0.956 1.00 0.00 N ATOM 388 CA GLU A 25 -10.581 -5.663 -1.739 1.00 0.00 C ATOM 389 C GLU A 25 -12.068 -5.307 -1.821 1.00 0.00 C ATOM 390 O GLU A 25 -12.467 -4.467 -2.602 1.00 0.00 O ATOM 391 CB GLU A 25 -10.028 -5.858 -3.153 1.00 0.00 C ATOM 392 CG GLU A 25 -8.638 -6.501 -3.082 1.00 0.00 C ATOM 393 CD GLU A 25 -8.775 -7.998 -2.799 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.330 -8.692 -3.635 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.321 -8.427 -1.749 1.00 0.00 O ATOM 0 H GLU A 25 -10.318 -7.770 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.049 -4.852 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.702 -6.489 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.969 -4.898 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.107 -6.346 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.047 -6.026 -2.299 1.00 0.00 H new ATOM 402 N LYS A 26 -12.893 -5.925 -1.021 1.00 0.00 N ATOM 403 CA LYS A 26 -14.344 -5.602 -1.058 1.00 0.00 C ATOM 404 C LYS A 26 -14.577 -4.380 -0.182 1.00 0.00 C ATOM 405 O LYS A 26 -15.237 -3.433 -0.567 1.00 0.00 O ATOM 406 CB LYS A 26 -15.151 -6.781 -0.508 1.00 0.00 C ATOM 407 CG LYS A 26 -14.762 -8.074 -1.245 1.00 0.00 C ATOM 408 CD LYS A 26 -15.237 -8.030 -2.727 1.00 0.00 C ATOM 409 CE LYS A 26 -14.039 -7.857 -3.670 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.508 -7.928 -5.084 1.00 0.00 N ATOM 0 H LYS A 26 -12.624 -6.639 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.659 -5.405 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.966 -6.892 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.217 -6.590 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.681 -8.207 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.206 -8.933 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.770 -8.949 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.939 -7.207 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.551 -6.900 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.298 -8.634 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.697 -7.811 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.955 -8.851 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.200 -7.171 -5.259 1.00 0.00 H new ATOM 424 N GLU A 27 -14.027 -4.393 0.998 1.00 0.00 N ATOM 425 CA GLU A 27 -14.203 -3.238 1.909 1.00 0.00 C ATOM 426 C GLU A 27 -13.384 -2.056 1.389 1.00 0.00 C ATOM 427 O GLU A 27 -13.550 -0.934 1.824 1.00 0.00 O ATOM 428 CB GLU A 27 -13.724 -3.612 3.315 1.00 0.00 C ATOM 429 CG GLU A 27 -14.521 -4.814 3.827 1.00 0.00 C ATOM 430 CD GLU A 27 -14.318 -4.956 5.337 1.00 0.00 C ATOM 431 OE1 GLU A 27 -13.197 -5.210 5.742 1.00 0.00 O ATOM 432 OE2 GLU A 27 -15.288 -4.809 6.062 1.00 0.00 O ATOM 0 H GLU A 27 -13.462 -5.157 1.369 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.257 -2.965 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.660 -3.850 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.850 -2.765 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.580 -4.684 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.196 -5.722 3.319 1.00 0.00 H new ATOM 439 N ILE A 28 -12.496 -2.301 0.464 1.00 0.00 N ATOM 440 CA ILE A 28 -11.660 -1.203 -0.082 1.00 0.00 C ATOM 441 C ILE A 28 -12.388 -0.520 -1.237 1.00 0.00 C ATOM 442 O ILE A 28 -12.846 0.599 -1.120 1.00 0.00 O ATOM 443 CB ILE A 28 -10.356 -1.786 -0.613 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.580 -2.478 0.520 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.521 -0.665 -1.221 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.275 -1.499 1.659 1.00 0.00 C ATOM 0 H ILE A 28 -12.315 -3.221 0.063 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.462 -0.479 0.709 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.575 -2.531 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.161 -3.317 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.648 -2.888 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.586 -1.074 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.074 -0.201 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.305 0.083 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.726 -2.016 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.673 -0.674 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.209 -1.110 2.064 1.00 0.00 H new ATOM 458 N LEU A 29 -12.480 -1.185 -2.361 1.00 0.00 N ATOM 459 CA LEU A 29 -13.162 -0.577 -3.540 1.00 0.00 C ATOM 460 C LEU A 29 -14.462 0.088 -3.091 1.00 0.00 C ATOM 461 O LEU A 29 -14.923 1.041 -3.689 1.00 0.00 O ATOM 462 CB LEU A 29 -13.460 -1.662 -4.578 1.00 0.00 C ATOM 463 CG LEU A 29 -12.145 -2.311 -5.040 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.452 -3.632 -5.747 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.392 -1.379 -6.006 1.00 0.00 C ATOM 0 H LEU A 29 -12.111 -2.124 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.513 0.175 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.119 -2.417 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.983 -1.229 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.518 -2.492 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.521 -4.094 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.966 -4.302 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.088 -3.443 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.464 -1.855 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.014 -1.181 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.164 -0.440 -5.502 1.00 0.00 H new ATOM 477 N ASP A 30 -15.041 -0.384 -2.022 1.00 0.00 N ATOM 478 CA ASP A 30 -16.287 0.253 -1.527 1.00 0.00 C ATOM 479 C ASP A 30 -15.909 1.593 -0.901 1.00 0.00 C ATOM 480 O ASP A 30 -16.447 2.631 -1.240 1.00 0.00 O ATOM 481 CB ASP A 30 -16.944 -0.644 -0.476 1.00 0.00 C ATOM 482 CG ASP A 30 -18.311 -0.070 -0.098 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.817 0.746 -0.850 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.828 -0.456 0.937 1.00 0.00 O ATOM 0 H ASP A 30 -14.706 -1.177 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.992 0.400 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.058 -1.656 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.309 -0.712 0.408 1.00 0.00 H new ATOM 489 N ALA A 31 -14.965 1.578 0.004 1.00 0.00 N ATOM 490 CA ALA A 31 -14.526 2.847 0.649 1.00 0.00 C ATOM 491 C ALA A 31 -14.302 3.902 -0.431 1.00 0.00 C ATOM 492 O ALA A 31 -14.568 5.071 -0.236 1.00 0.00 O ATOM 493 CB ALA A 31 -13.232 2.602 1.424 1.00 0.00 C ATOM 0 H ALA A 31 -14.480 0.740 0.323 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.291 3.198 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.910 3.530 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.404 1.846 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.458 2.256 0.739 1.00 0.00 H new ATOM 499 N PHE A 32 -13.835 3.496 -1.578 1.00 0.00 N ATOM 500 CA PHE A 32 -13.625 4.481 -2.666 1.00 0.00 C ATOM 501 C PHE A 32 -14.995 4.967 -3.127 1.00 0.00 C ATOM 502 O PHE A 32 -15.171 6.113 -3.490 1.00 0.00 O ATOM 503 CB PHE A 32 -12.858 3.833 -3.827 1.00 0.00 C ATOM 504 CG PHE A 32 -11.377 3.806 -3.506 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.580 4.927 -3.775 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.801 2.663 -2.938 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.213 4.904 -3.476 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.433 2.640 -2.642 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.640 3.760 -2.911 1.00 0.00 C ATOM 0 H PHE A 32 -13.592 2.532 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.032 5.323 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.222 2.820 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.031 4.391 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.021 5.810 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.413 1.798 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.601 5.770 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.990 1.757 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.585 3.742 -2.682 1.00 0.00 H new ATOM 519 N ASP A 33 -15.978 4.113 -3.075 1.00 0.00 N ATOM 520 CA ASP A 33 -17.344 4.539 -3.465 1.00 0.00 C ATOM 521 C ASP A 33 -17.851 5.501 -2.391 1.00 0.00 C ATOM 522 O ASP A 33 -18.932 6.047 -2.486 1.00 0.00 O ATOM 523 CB ASP A 33 -18.265 3.318 -3.544 1.00 0.00 C ATOM 524 CG ASP A 33 -19.600 3.725 -4.170 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.710 3.649 -5.383 1.00 0.00 O ATOM 526 OD2 ASP A 33 -20.490 4.105 -3.427 1.00 0.00 O ATOM 0 H ASP A 33 -15.892 3.141 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.331 5.025 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.797 2.534 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.429 2.908 -2.548 1.00 0.00 H new ATOM 531 N LYS A 34 -17.059 5.700 -1.361 1.00 0.00 N ATOM 532 CA LYS A 34 -17.449 6.623 -0.244 1.00 0.00 C ATOM 533 C LYS A 34 -16.470 7.802 -0.175 1.00 0.00 C ATOM 534 O LYS A 34 -16.803 8.931 -0.476 1.00 0.00 O ATOM 535 CB LYS A 34 -17.364 5.868 1.090 1.00 0.00 C ATOM 536 CG LYS A 34 -18.120 4.538 1.006 1.00 0.00 C ATOM 537 CD LYS A 34 -17.916 3.738 2.316 1.00 0.00 C ATOM 538 CE LYS A 34 -17.943 2.233 2.034 1.00 0.00 C ATOM 539 NZ LYS A 34 -19.302 1.836 1.566 1.00 0.00 N ATOM 0 H LYS A 34 -16.148 5.256 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.462 6.982 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.320 5.684 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.783 6.481 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.182 4.722 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.762 3.958 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.965 4.012 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.698 3.994 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.199 1.981 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.682 1.679 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.454 0.826 1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.020 2.397 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.381 2.009 0.543 1.00 0.00 H new ATOM 553 N MET A 35 -15.265 7.530 0.244 1.00 0.00 N ATOM 554 CA MET A 35 -14.225 8.592 0.379 1.00 0.00 C ATOM 555 C MET A 35 -13.954 9.230 -0.984 1.00 0.00 C ATOM 556 O MET A 35 -13.785 10.423 -1.093 1.00 0.00 O ATOM 557 CB MET A 35 -12.971 7.928 1.011 1.00 0.00 C ATOM 558 CG MET A 35 -11.701 8.080 0.159 1.00 0.00 C ATOM 559 SD MET A 35 -10.439 6.934 0.775 1.00 0.00 S ATOM 560 CE MET A 35 -11.304 5.392 0.363 1.00 0.00 C ATOM 0 H MET A 35 -14.950 6.596 0.504 1.00 0.00 H new ATOM 0 HA MET A 35 -14.549 9.406 1.027 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.794 8.366 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 35 -13.170 6.868 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.922 7.870 -0.888 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.335 9.106 0.208 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.598 4.684 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.737 4.965 1.267 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.097 5.600 -0.356 1.00 0.00 H new ATOM 570 N CYS A 36 -13.917 8.451 -2.022 1.00 0.00 N ATOM 571 CA CYS A 36 -13.673 9.029 -3.371 1.00 0.00 C ATOM 572 C CYS A 36 -15.033 9.425 -3.949 1.00 0.00 C ATOM 573 O CYS A 36 -15.179 9.687 -5.127 1.00 0.00 O ATOM 574 CB CYS A 36 -12.967 7.973 -4.247 1.00 0.00 C ATOM 575 SG CYS A 36 -11.271 8.503 -4.618 1.00 0.00 S ATOM 0 H CYS A 36 -14.045 7.439 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.030 9.908 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.952 7.013 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.522 7.828 -5.174 1.00 0.00 H new ATOM 580 N SER A 37 -16.027 9.478 -3.101 1.00 0.00 N ATOM 581 CA SER A 37 -17.397 9.861 -3.544 1.00 0.00 C ATOM 582 C SER A 37 -17.600 11.358 -3.285 1.00 0.00 C ATOM 583 O SER A 37 -17.961 12.110 -4.168 1.00 0.00 O ATOM 584 CB SER A 37 -18.424 9.042 -2.748 1.00 0.00 C ATOM 585 OG SER A 37 -19.502 8.683 -3.603 1.00 0.00 O ATOM 0 H SER A 37 -15.944 9.269 -2.106 1.00 0.00 H new ATOM 0 HA SER A 37 -17.525 9.660 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.955 8.147 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.793 9.623 -1.902 1.00 0.00 H new ATOM 0 HG SER A 37 -19.673 7.721 -3.528 1.00 0.00 H new ATOM 591 N LYS A 38 -17.367 11.790 -2.075 1.00 0.00 N ATOM 592 CA LYS A 38 -17.544 13.233 -1.756 1.00 0.00 C ATOM 593 C LYS A 38 -16.464 14.050 -2.473 1.00 0.00 C ATOM 594 O LYS A 38 -16.523 15.263 -2.524 1.00 0.00 O ATOM 595 CB LYS A 38 -17.474 13.468 -0.231 1.00 0.00 C ATOM 596 CG LYS A 38 -16.390 12.594 0.430 1.00 0.00 C ATOM 597 CD LYS A 38 -14.991 13.013 -0.055 1.00 0.00 C ATOM 598 CE LYS A 38 -13.940 12.656 1.002 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.577 12.820 0.421 1.00 0.00 N ATOM 0 H LYS A 38 -17.062 11.206 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.527 13.554 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.264 14.519 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.443 13.247 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.449 12.689 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.565 11.545 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.758 12.512 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.971 14.085 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.054 13.298 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.082 11.629 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.918 13.132 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.254 11.912 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.606 13.532 -0.337 1.00 0.00 H new ATOM 613 N LEU A 39 -15.484 13.396 -3.036 1.00 0.00 N ATOM 614 CA LEU A 39 -14.406 14.141 -3.758 1.00 0.00 C ATOM 615 C LEU A 39 -15.068 15.001 -4.862 1.00 0.00 C ATOM 616 O LEU A 39 -16.042 14.567 -5.444 1.00 0.00 O ATOM 617 CB LEU A 39 -13.421 13.121 -4.427 1.00 0.00 C ATOM 618 CG LEU A 39 -11.942 13.326 -3.960 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.529 12.213 -2.985 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.006 13.298 -5.182 1.00 0.00 C ATOM 0 H LEU A 39 -15.381 12.381 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.854 14.771 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.737 12.105 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.475 13.226 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.866 14.289 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.498 12.370 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.182 12.233 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.614 11.246 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.976 13.441 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.096 12.336 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.282 14.097 -5.870 1.00 0.00 H new ATOM 632 N PRO A 40 -14.520 16.166 -5.170 1.00 0.00 N ATOM 633 CA PRO A 40 -15.085 16.987 -6.250 1.00 0.00 C ATOM 634 C PRO A 40 -15.174 16.122 -7.514 1.00 0.00 C ATOM 635 O PRO A 40 -14.227 15.453 -7.878 1.00 0.00 O ATOM 636 CB PRO A 40 -14.094 18.160 -6.423 1.00 0.00 C ATOM 637 CG PRO A 40 -13.059 18.067 -5.266 1.00 0.00 C ATOM 638 CD PRO A 40 -13.340 16.756 -4.499 1.00 0.00 C ATOM 0 HA PRO A 40 -16.087 17.363 -6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.595 18.102 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.620 19.114 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.042 18.071 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.147 18.927 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.484 16.083 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.541 16.950 -3.445 1.00 0.00 H new ATOM 646 N LYS A 41 -16.308 16.118 -8.162 1.00 0.00 N ATOM 647 CA LYS A 41 -16.492 15.287 -9.391 1.00 0.00 C ATOM 648 C LYS A 41 -15.218 15.236 -10.233 1.00 0.00 C ATOM 649 O LYS A 41 -14.802 14.190 -10.691 1.00 0.00 O ATOM 650 CB LYS A 41 -17.607 15.900 -10.224 1.00 0.00 C ATOM 651 CG LYS A 41 -17.950 14.967 -11.380 1.00 0.00 C ATOM 652 CD LYS A 41 -19.214 15.483 -12.098 1.00 0.00 C ATOM 653 CE LYS A 41 -19.137 15.152 -13.589 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.382 15.609 -14.269 1.00 0.00 N ATOM 0 H LYS A 41 -17.127 16.662 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.738 14.270 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.488 16.068 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.297 16.872 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.116 14.916 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.117 13.956 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.103 15.028 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.307 16.560 -11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.269 15.637 -14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.009 14.078 -13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.327 15.383 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.203 15.127 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.486 16.637 -14.149 1.00 0.00 H new ATOM 668 N SER A 42 -14.613 16.359 -10.453 1.00 0.00 N ATOM 669 CA SER A 42 -13.374 16.399 -11.282 1.00 0.00 C ATOM 670 C SER A 42 -12.325 15.440 -10.724 1.00 0.00 C ATOM 671 O SER A 42 -11.900 14.507 -11.380 1.00 0.00 O ATOM 672 CB SER A 42 -12.800 17.811 -11.239 1.00 0.00 C ATOM 673 OG SER A 42 -13.791 18.736 -11.665 1.00 0.00 O ATOM 0 H SER A 42 -14.921 17.263 -10.094 1.00 0.00 H new ATOM 0 HA SER A 42 -13.624 16.108 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.473 18.052 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.923 17.879 -11.883 1.00 0.00 H new ATOM 0 HG SER A 42 -13.424 19.644 -11.636 1.00 0.00 H new ATOM 679 N LEU A 43 -11.890 15.681 -9.524 1.00 0.00 N ATOM 680 CA LEU A 43 -10.850 14.814 -8.920 1.00 0.00 C ATOM 681 C LEU A 43 -11.476 13.510 -8.423 1.00 0.00 C ATOM 682 O LEU A 43 -10.788 12.632 -7.949 1.00 0.00 O ATOM 683 CB LEU A 43 -10.198 15.560 -7.751 1.00 0.00 C ATOM 684 CG LEU A 43 -9.313 16.708 -8.281 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.152 17.777 -7.195 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.924 16.181 -8.667 1.00 0.00 C ATOM 0 H LEU A 43 -12.213 16.446 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.096 14.573 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.967 15.959 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.596 14.870 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.793 17.136 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.527 18.587 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.132 18.171 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.683 17.335 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.313 17.004 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.446 15.740 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.025 15.424 -9.445 1.00 0.00 H new ATOM 698 N SER A 44 -12.769 13.356 -8.552 1.00 0.00 N ATOM 699 CA SER A 44 -13.409 12.089 -8.108 1.00 0.00 C ATOM 700 C SER A 44 -13.322 11.129 -9.273 1.00 0.00 C ATOM 701 O SER A 44 -13.276 9.924 -9.114 1.00 0.00 O ATOM 702 CB SER A 44 -14.878 12.334 -7.755 1.00 0.00 C ATOM 703 OG SER A 44 -15.665 12.243 -8.935 1.00 0.00 O ATOM 0 H SER A 44 -13.404 14.051 -8.944 1.00 0.00 H new ATOM 0 HA SER A 44 -12.911 11.691 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.215 11.601 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.996 13.318 -7.300 1.00 0.00 H new ATOM 0 HG SER A 44 -15.287 12.826 -9.626 1.00 0.00 H new ATOM 709 N GLU A 45 -13.278 11.673 -10.454 1.00 0.00 N ATOM 710 CA GLU A 45 -13.173 10.828 -11.657 1.00 0.00 C ATOM 711 C GLU A 45 -11.712 10.424 -11.827 1.00 0.00 C ATOM 712 O GLU A 45 -11.399 9.363 -12.328 1.00 0.00 O ATOM 713 CB GLU A 45 -13.637 11.617 -12.883 1.00 0.00 C ATOM 714 CG GLU A 45 -15.156 11.791 -12.834 1.00 0.00 C ATOM 715 CD GLU A 45 -15.607 12.675 -13.999 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.014 12.570 -15.060 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.536 13.442 -13.809 1.00 0.00 O ATOM 0 H GLU A 45 -13.311 12.677 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.800 9.942 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.149 12.592 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.350 11.094 -13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.646 10.819 -12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.451 12.242 -11.886 1.00 0.00 H new ATOM 724 N GLU A 46 -10.814 11.275 -11.406 1.00 0.00 N ATOM 725 CA GLU A 46 -9.365 10.962 -11.534 1.00 0.00 C ATOM 726 C GLU A 46 -8.913 10.066 -10.375 1.00 0.00 C ATOM 727 O GLU A 46 -7.971 9.311 -10.503 1.00 0.00 O ATOM 728 CB GLU A 46 -8.561 12.265 -11.510 1.00 0.00 C ATOM 729 CG GLU A 46 -8.937 13.122 -12.719 1.00 0.00 C ATOM 730 CD GLU A 46 -8.073 14.384 -12.739 1.00 0.00 C ATOM 731 OE1 GLU A 46 -8.367 15.291 -11.976 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.133 14.424 -13.515 1.00 0.00 O ATOM 0 H GLU A 46 -11.025 12.176 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.196 10.439 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.761 12.811 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.493 12.046 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.793 12.555 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.992 13.392 -12.673 1.00 0.00 H new ATOM 739 N CYS A 47 -9.565 10.143 -9.242 1.00 0.00 N ATOM 740 CA CYS A 47 -9.144 9.287 -8.093 1.00 0.00 C ATOM 741 C CYS A 47 -9.674 7.866 -8.292 1.00 0.00 C ATOM 742 O CYS A 47 -9.087 6.903 -7.838 1.00 0.00 O ATOM 743 CB CYS A 47 -9.669 9.875 -6.773 1.00 0.00 C ATOM 744 SG CYS A 47 -11.375 9.343 -6.455 1.00 0.00 S ATOM 0 H CYS A 47 -10.362 10.755 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.055 9.257 -8.047 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.027 9.560 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.625 10.963 -6.813 1.00 0.00 H new ATOM 749 N GLN A 48 -10.769 7.723 -8.991 1.00 0.00 N ATOM 750 CA GLN A 48 -11.326 6.371 -9.241 1.00 0.00 C ATOM 751 C GLN A 48 -10.628 5.819 -10.471 1.00 0.00 C ATOM 752 O GLN A 48 -10.601 4.629 -10.712 1.00 0.00 O ATOM 753 CB GLN A 48 -12.835 6.478 -9.498 1.00 0.00 C ATOM 754 CG GLN A 48 -13.583 6.565 -8.164 1.00 0.00 C ATOM 755 CD GLN A 48 -13.650 5.178 -7.521 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.930 4.279 -7.910 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.488 4.965 -6.544 1.00 0.00 N ATOM 0 H GLN A 48 -11.301 8.492 -9.400 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.169 5.717 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.049 7.359 -10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.179 5.612 -10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.077 7.262 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.589 6.951 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.092 5.719 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.539 4.045 -6.107 1.00 0.00 H new ATOM 766 N GLU A 49 -10.053 6.691 -11.250 1.00 0.00 N ATOM 767 CA GLU A 49 -9.346 6.241 -12.459 1.00 0.00 C ATOM 768 C GLU A 49 -8.098 5.469 -12.034 1.00 0.00 C ATOM 769 O GLU A 49 -7.849 4.362 -12.479 1.00 0.00 O ATOM 770 CB GLU A 49 -8.949 7.462 -13.291 1.00 0.00 C ATOM 771 CG GLU A 49 -8.340 7.009 -14.615 1.00 0.00 C ATOM 772 CD GLU A 49 -9.408 6.321 -15.466 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.496 6.865 -15.572 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.121 5.261 -15.998 1.00 0.00 O ATOM 0 H GLU A 49 -10.047 7.699 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.988 5.596 -13.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.823 8.087 -13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.233 8.072 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.931 7.866 -15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.512 6.324 -14.430 1.00 0.00 H new ATOM 781 N VAL A 50 -7.307 6.042 -11.166 1.00 0.00 N ATOM 782 CA VAL A 50 -6.083 5.335 -10.714 1.00 0.00 C ATOM 783 C VAL A 50 -6.472 4.066 -9.960 1.00 0.00 C ATOM 784 O VAL A 50 -5.875 3.036 -10.149 1.00 0.00 O ATOM 785 CB VAL A 50 -5.254 6.227 -9.800 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.930 5.520 -9.507 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.985 7.565 -10.493 1.00 0.00 C ATOM 0 H VAL A 50 -7.458 6.963 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.489 5.079 -11.591 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.791 6.415 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.321 6.144 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.127 4.566 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.396 5.345 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.392 8.202 -9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.440 7.391 -11.421 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.932 8.056 -10.716 1.00 0.00 H new ATOM 797 N VAL A 51 -7.475 4.129 -9.114 1.00 0.00 N ATOM 798 CA VAL A 51 -7.905 2.902 -8.361 1.00 0.00 C ATOM 799 C VAL A 51 -7.956 1.724 -9.333 1.00 0.00 C ATOM 800 O VAL A 51 -7.311 0.714 -9.130 1.00 0.00 O ATOM 801 CB VAL A 51 -9.295 3.158 -7.755 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.912 1.849 -7.253 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.168 4.143 -6.584 1.00 0.00 C ATOM 0 H VAL A 51 -8.013 4.972 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.203 2.673 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.941 3.578 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.895 2.050 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.012 1.151 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.268 1.413 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.153 4.325 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.512 3.721 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.749 5.083 -6.943 1.00 0.00 H new ATOM 813 N ASP A 52 -8.683 1.856 -10.409 1.00 0.00 N ATOM 814 CA ASP A 52 -8.723 0.750 -11.403 1.00 0.00 C ATOM 815 C ASP A 52 -7.278 0.374 -11.736 1.00 0.00 C ATOM 816 O ASP A 52 -6.952 -0.778 -11.946 1.00 0.00 O ATOM 817 CB ASP A 52 -9.441 1.221 -12.670 1.00 0.00 C ATOM 818 CG ASP A 52 -10.898 1.551 -12.338 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.139 2.037 -11.246 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.746 1.311 -13.182 1.00 0.00 O ATOM 0 H ASP A 52 -9.246 2.675 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.259 -0.109 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.942 2.100 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.398 0.446 -13.435 1.00 0.00 H new ATOM 825 N THR A 53 -6.402 1.350 -11.755 1.00 0.00 N ATOM 826 CA THR A 53 -4.966 1.071 -12.040 1.00 0.00 C ATOM 827 C THR A 53 -4.262 0.644 -10.745 1.00 0.00 C ATOM 828 O THR A 53 -3.260 -0.042 -10.771 1.00 0.00 O ATOM 829 CB THR A 53 -4.311 2.305 -12.668 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.976 2.610 -13.885 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.833 2.025 -12.960 1.00 0.00 C ATOM 0 H THR A 53 -6.625 2.331 -11.584 1.00 0.00 H new ATOM 0 HA THR A 53 -4.878 0.253 -12.755 1.00 0.00 H new ATOM 0 HB THR A 53 -4.385 3.144 -11.976 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.564 3.400 -14.294 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.377 2.909 -13.406 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.318 1.781 -12.031 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.751 1.186 -13.651 1.00 0.00 H new ATOM 839 N TYR A 54 -4.792 1.036 -9.611 1.00 0.00 N ATOM 840 CA TYR A 54 -4.182 0.656 -8.298 1.00 0.00 C ATOM 841 C TYR A 54 -5.279 0.102 -7.394 1.00 0.00 C ATOM 842 O TYR A 54 -5.800 0.791 -6.540 1.00 0.00 O ATOM 843 CB TYR A 54 -3.573 1.878 -7.618 1.00 0.00 C ATOM 844 CG TYR A 54 -2.326 2.300 -8.350 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.442 2.842 -9.620 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.071 2.180 -7.749 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.313 3.276 -10.311 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.073 2.605 -8.437 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.047 3.157 -9.722 1.00 0.00 C ATOM 850 OH TYR A 54 1.076 3.585 -10.400 1.00 0.00 O ATOM 0 H TYR A 54 -5.632 1.610 -9.539 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.402 -0.086 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.293 2.696 -7.606 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.336 1.647 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.416 2.929 -10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.983 1.761 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.413 3.703 -11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.046 2.508 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 54 1.870 3.430 -9.847 1.00 0.00 H new ATOM 860 N GLY A 55 -5.641 -1.133 -7.578 1.00 0.00 N ATOM 861 CA GLY A 55 -6.708 -1.743 -6.729 1.00 0.00 C ATOM 862 C GLY A 55 -6.400 -3.223 -6.485 1.00 0.00 C ATOM 863 O GLY A 55 -5.687 -3.578 -5.580 1.00 0.00 O ATOM 0 H GLY A 55 -5.244 -1.754 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.774 -1.215 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.677 -1.640 -7.218 1.00 0.00 H new ATOM 867 N SER A 56 -6.936 -4.103 -7.267 1.00 0.00 N ATOM 868 CA SER A 56 -6.652 -5.542 -7.019 1.00 0.00 C ATOM 869 C SER A 56 -5.139 -5.766 -6.872 1.00 0.00 C ATOM 870 O SER A 56 -4.705 -6.772 -6.346 1.00 0.00 O ATOM 871 CB SER A 56 -7.187 -6.381 -8.177 1.00 0.00 C ATOM 872 OG SER A 56 -6.541 -7.647 -8.180 1.00 0.00 O ATOM 0 H SER A 56 -7.549 -3.900 -8.056 1.00 0.00 H new ATOM 0 HA SER A 56 -7.146 -5.845 -6.096 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.265 -6.511 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.012 -5.869 -9.123 1.00 0.00 H new ATOM 0 HG SER A 56 -6.884 -8.188 -8.922 1.00 0.00 H new ATOM 878 N SER A 57 -4.328 -4.829 -7.305 1.00 0.00 N ATOM 879 CA SER A 57 -2.848 -5.001 -7.163 1.00 0.00 C ATOM 880 C SER A 57 -2.401 -4.343 -5.866 1.00 0.00 C ATOM 881 O SER A 57 -2.247 -5.007 -4.870 1.00 0.00 O ATOM 882 CB SER A 57 -2.112 -4.350 -8.338 1.00 0.00 C ATOM 883 OG SER A 57 -2.311 -5.133 -9.507 1.00 0.00 O ATOM 0 H SER A 57 -4.625 -3.959 -7.747 1.00 0.00 H new ATOM 0 HA SER A 57 -2.613 -6.065 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.481 -3.337 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.048 -4.270 -8.116 1.00 0.00 H new ATOM 0 HG SER A 57 -1.843 -4.719 -10.262 1.00 0.00 H new ATOM 889 N ILE A 58 -2.208 -3.037 -5.876 1.00 0.00 N ATOM 890 CA ILE A 58 -1.775 -2.286 -4.645 1.00 0.00 C ATOM 891 C ILE A 58 -2.209 -3.029 -3.387 1.00 0.00 C ATOM 892 O ILE A 58 -1.447 -3.206 -2.456 1.00 0.00 O ATOM 893 CB ILE A 58 -2.433 -0.905 -4.671 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.949 -0.047 -3.486 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.948 -1.056 -4.592 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.883 1.160 -3.307 1.00 0.00 C ATOM 0 H ILE A 58 -2.335 -2.451 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.689 -2.195 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.156 -0.411 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.932 -0.645 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.929 0.293 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.413 -0.071 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.300 -1.640 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.215 -1.566 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.539 1.765 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.878 1.762 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.896 0.810 -3.110 1.00 0.00 H new ATOM 908 N LEU A 59 -3.428 -3.466 -3.355 1.00 0.00 N ATOM 909 CA LEU A 59 -3.905 -4.205 -2.153 1.00 0.00 C ATOM 910 C LEU A 59 -3.297 -5.617 -2.138 1.00 0.00 C ATOM 911 O LEU A 59 -2.741 -6.045 -1.148 1.00 0.00 O ATOM 912 CB LEU A 59 -5.445 -4.340 -2.134 1.00 0.00 C ATOM 913 CG LEU A 59 -6.124 -3.059 -2.615 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.607 -3.339 -2.862 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.976 -1.941 -1.571 1.00 0.00 C ATOM 0 H LEU A 59 -4.115 -3.348 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.592 -3.636 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.746 -5.173 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.779 -4.573 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.648 -2.732 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.097 -2.428 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.709 -4.114 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.073 -3.674 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.467 -1.038 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.438 -2.254 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.918 -1.737 -1.403 1.00 0.00 H new ATOM 927 N SER A 60 -3.425 -6.355 -3.216 1.00 0.00 N ATOM 928 CA SER A 60 -2.882 -7.751 -3.240 1.00 0.00 C ATOM 929 C SER A 60 -1.384 -7.758 -3.567 1.00 0.00 C ATOM 930 O SER A 60 -0.773 -8.802 -3.678 1.00 0.00 O ATOM 931 CB SER A 60 -3.632 -8.561 -4.299 1.00 0.00 C ATOM 932 OG SER A 60 -3.425 -9.948 -4.062 1.00 0.00 O ATOM 0 H SER A 60 -3.880 -6.052 -4.077 1.00 0.00 H new ATOM 0 HA SER A 60 -3.020 -8.192 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.696 -8.329 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.280 -8.294 -5.295 1.00 0.00 H new ATOM 0 HG SER A 60 -2.479 -10.108 -3.863 1.00 0.00 H new ATOM 938 N ILE A 61 -0.793 -6.615 -3.751 1.00 0.00 N ATOM 939 CA ILE A 61 0.654 -6.571 -4.101 1.00 0.00 C ATOM 940 C ILE A 61 1.509 -6.899 -2.861 1.00 0.00 C ATOM 941 O ILE A 61 2.182 -7.906 -2.832 1.00 0.00 O ATOM 942 CB ILE A 61 0.965 -5.172 -4.731 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.990 -5.288 -5.862 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.464 -4.149 -3.713 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.371 -5.609 -5.305 1.00 0.00 C ATOM 0 H ILE A 61 -1.249 -5.706 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 61 0.908 -7.329 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 61 0.014 -4.815 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.683 -6.068 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.027 -4.355 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.661 -3.202 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.706 -4.001 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.382 -4.513 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.085 -5.687 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.683 -4.815 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.334 -6.555 -4.764 1.00 0.00 H new ATOM 957 N LEU A 62 1.493 -6.077 -1.852 1.00 0.00 N ATOM 958 CA LEU A 62 2.326 -6.343 -0.631 1.00 0.00 C ATOM 959 C LEU A 62 2.189 -7.791 -0.156 1.00 0.00 C ATOM 960 O LEU A 62 2.955 -8.256 0.663 1.00 0.00 O ATOM 961 CB LEU A 62 1.918 -5.380 0.479 1.00 0.00 C ATOM 962 CG LEU A 62 2.055 -3.945 -0.042 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.556 -2.965 1.022 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.520 -3.637 -0.399 1.00 0.00 C ATOM 0 H LEU A 62 0.936 -5.223 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 62 3.373 -6.185 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.891 -5.573 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.548 -5.525 1.356 1.00 0.00 H new ATOM 0 HG LEU A 62 1.453 -3.838 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.654 -1.945 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.509 -3.172 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.149 -3.080 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.597 -2.614 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.143 -3.752 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.859 -4.327 -1.172 1.00 0.00 H new ATOM 976 N LEU A 63 1.214 -8.500 -0.636 1.00 0.00 N ATOM 977 CA LEU A 63 1.014 -9.898 -0.191 1.00 0.00 C ATOM 978 C LEU A 63 1.924 -10.891 -0.930 1.00 0.00 C ATOM 979 O LEU A 63 2.585 -11.695 -0.303 1.00 0.00 O ATOM 980 CB LEU A 63 -0.434 -10.260 -0.470 1.00 0.00 C ATOM 981 CG LEU A 63 -1.339 -9.497 0.505 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.319 -7.990 0.207 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.770 -10.040 0.401 1.00 0.00 C ATOM 0 H LEU A 63 0.540 -8.166 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 63 1.262 -9.963 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.693 -10.009 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.581 -11.334 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.967 -9.643 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.969 -7.471 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.301 -7.613 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.673 -7.815 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.416 -9.499 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.137 -9.907 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.776 -11.101 0.653 1.00 0.00 H new ATOM 995 N GLU A 64 1.922 -10.895 -2.246 1.00 0.00 N ATOM 996 CA GLU A 64 2.750 -11.909 -2.995 1.00 0.00 C ATOM 997 C GLU A 64 3.605 -11.272 -4.089 1.00 0.00 C ATOM 998 O GLU A 64 4.807 -11.451 -4.123 1.00 0.00 O ATOM 999 CB GLU A 64 1.800 -12.899 -3.659 1.00 0.00 C ATOM 1000 CG GLU A 64 0.984 -13.625 -2.588 1.00 0.00 C ATOM 1001 CD GLU A 64 1.900 -14.551 -1.787 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.110 -15.670 -2.226 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.379 -14.125 -0.749 1.00 0.00 O ATOM 0 H GLU A 64 1.391 -10.250 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 64 3.418 -12.389 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.134 -12.375 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.365 -13.619 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.511 -12.902 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.184 -14.201 -3.054 1.00 0.00 H new ATOM 1010 N GLU A 65 2.998 -10.573 -5.010 1.00 0.00 N ATOM 1011 CA GLU A 65 3.782 -9.971 -6.133 1.00 0.00 C ATOM 1012 C GLU A 65 5.055 -9.325 -5.605 1.00 0.00 C ATOM 1013 O GLU A 65 5.983 -9.054 -6.341 1.00 0.00 O ATOM 1014 CB GLU A 65 2.934 -8.924 -6.859 1.00 0.00 C ATOM 1015 CG GLU A 65 1.534 -9.482 -7.119 1.00 0.00 C ATOM 1016 CD GLU A 65 1.643 -10.826 -7.845 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.316 -10.875 -8.861 1.00 0.00 O ATOM 1018 OE2 GLU A 65 1.051 -11.782 -7.372 1.00 0.00 O ATOM 0 H GLU A 65 1.995 -10.392 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 65 4.053 -10.763 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.868 -8.016 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.407 -8.649 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.001 -9.609 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.957 -8.779 -7.719 1.00 0.00 H new ATOM 1025 N VAL A 66 5.100 -9.080 -4.337 1.00 0.00 N ATOM 1026 CA VAL A 66 6.310 -8.448 -3.735 1.00 0.00 C ATOM 1027 C VAL A 66 6.516 -8.966 -2.304 1.00 0.00 C ATOM 1028 O VAL A 66 5.600 -8.982 -1.505 1.00 0.00 O ATOM 1029 CB VAL A 66 6.088 -6.931 -3.718 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.099 -6.565 -2.610 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.423 -6.198 -3.496 1.00 0.00 C ATOM 0 H VAL A 66 4.349 -9.289 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 66 7.198 -8.695 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 66 5.678 -6.624 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.945 -5.486 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.148 -7.066 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.499 -6.881 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.250 -5.122 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.853 -6.505 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.113 -6.447 -4.302 1.00 0.00 H new ATOM 1041 N SER A 67 7.712 -9.368 -1.966 1.00 0.00 N ATOM 1042 CA SER A 67 7.958 -9.855 -0.579 1.00 0.00 C ATOM 1043 C SER A 67 7.937 -8.632 0.356 1.00 0.00 C ATOM 1044 O SER A 67 8.331 -7.565 -0.060 1.00 0.00 O ATOM 1045 CB SER A 67 9.329 -10.533 -0.516 1.00 0.00 C ATOM 1046 OG SER A 67 9.461 -11.426 -1.615 1.00 0.00 O ATOM 0 H SER A 67 8.523 -9.380 -2.585 1.00 0.00 H new ATOM 0 HA SER A 67 7.197 -10.575 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.120 -9.784 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.437 -11.075 0.423 1.00 0.00 H new ATOM 0 HG SER A 67 10.338 -11.861 -1.579 1.00 0.00 H new ATOM 1052 N PRO A 68 7.475 -8.787 1.583 1.00 0.00 N ATOM 1053 CA PRO A 68 7.409 -7.648 2.517 1.00 0.00 C ATOM 1054 C PRO A 68 8.785 -6.969 2.657 1.00 0.00 C ATOM 1055 O PRO A 68 8.876 -5.797 2.970 1.00 0.00 O ATOM 1056 CB PRO A 68 6.939 -8.261 3.856 1.00 0.00 C ATOM 1057 CG PRO A 68 6.776 -9.792 3.643 1.00 0.00 C ATOM 1058 CD PRO A 68 6.999 -10.072 2.145 1.00 0.00 C ATOM 0 HA PRO A 68 6.731 -6.868 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.664 -8.060 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.995 -7.816 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.496 -10.343 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.783 -10.119 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.733 -10.864 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.077 -10.397 1.662 1.00 0.00 H new ATOM 1066 N GLU A 69 9.855 -7.690 2.446 1.00 0.00 N ATOM 1067 CA GLU A 69 11.204 -7.058 2.592 1.00 0.00 C ATOM 1068 C GLU A 69 11.513 -6.190 1.363 1.00 0.00 C ATOM 1069 O GLU A 69 11.893 -5.044 1.493 1.00 0.00 O ATOM 1070 CB GLU A 69 12.304 -8.136 2.797 1.00 0.00 C ATOM 1071 CG GLU A 69 11.821 -9.517 2.332 1.00 0.00 C ATOM 1072 CD GLU A 69 10.762 -10.047 3.302 1.00 0.00 C ATOM 1073 OE1 GLU A 69 10.424 -9.331 4.230 1.00 0.00 O ATOM 1074 OE2 GLU A 69 10.308 -11.162 3.100 1.00 0.00 O ATOM 0 H GLU A 69 9.857 -8.675 2.183 1.00 0.00 H new ATOM 0 HA GLU A 69 11.195 -6.421 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.200 -7.855 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.582 -8.180 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.405 -9.448 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.662 -10.209 2.282 1.00 0.00 H new ATOM 1081 N LEU A 70 11.344 -6.705 0.175 1.00 0.00 N ATOM 1082 CA LEU A 70 11.619 -5.875 -1.032 1.00 0.00 C ATOM 1083 C LEU A 70 10.841 -4.566 -0.887 1.00 0.00 C ATOM 1084 O LEU A 70 11.300 -3.505 -1.258 1.00 0.00 O ATOM 1085 CB LEU A 70 11.158 -6.655 -2.279 1.00 0.00 C ATOM 1086 CG LEU A 70 10.973 -5.728 -3.494 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.300 -5.036 -3.836 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.509 -6.563 -4.699 1.00 0.00 C ATOM 0 H LEU A 70 11.030 -7.657 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 70 12.681 -5.653 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.891 -7.426 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.219 -7.164 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 70 10.227 -4.969 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.158 -4.383 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.633 -4.445 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.053 -5.788 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.376 -5.912 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.259 -7.320 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.563 -7.049 -4.462 1.00 0.00 H new ATOM 1100 N VAL A 71 9.661 -4.643 -0.346 1.00 0.00 N ATOM 1101 CA VAL A 71 8.836 -3.422 -0.166 1.00 0.00 C ATOM 1102 C VAL A 71 9.634 -2.364 0.579 1.00 0.00 C ATOM 1103 O VAL A 71 9.999 -1.350 0.018 1.00 0.00 O ATOM 1104 CB VAL A 71 7.591 -3.780 0.636 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.753 -2.521 0.873 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.775 -4.816 -0.143 1.00 0.00 C ATOM 0 H VAL A 71 9.229 -5.507 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 71 8.549 -3.028 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 71 7.879 -4.198 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.863 -2.779 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.343 -1.790 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.456 -2.096 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.882 -5.077 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.483 -4.399 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.378 -5.710 -0.302 1.00 0.00 H new ATOM 1116 N CYS A 72 9.907 -2.584 1.838 1.00 0.00 N ATOM 1117 CA CYS A 72 10.685 -1.565 2.616 1.00 0.00 C ATOM 1118 C CYS A 72 11.877 -1.092 1.782 1.00 0.00 C ATOM 1119 O CYS A 72 12.444 -0.046 2.025 1.00 0.00 O ATOM 1120 CB CYS A 72 11.181 -2.145 3.945 1.00 0.00 C ATOM 1121 SG CYS A 72 12.010 -0.843 4.884 1.00 0.00 S ATOM 0 H CYS A 72 9.630 -3.415 2.360 1.00 0.00 H new ATOM 0 HA CYS A 72 10.029 -0.723 2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.344 -2.546 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.867 -2.972 3.762 1.00 0.00 H new ATOM 1126 N SER A 73 12.240 -1.844 0.773 1.00 0.00 N ATOM 1127 CA SER A 73 13.368 -1.425 -0.102 1.00 0.00 C ATOM 1128 C SER A 73 12.802 -0.514 -1.198 1.00 0.00 C ATOM 1129 O SER A 73 13.243 0.606 -1.368 1.00 0.00 O ATOM 1130 CB SER A 73 14.036 -2.659 -0.721 1.00 0.00 C ATOM 1131 OG SER A 73 13.944 -3.747 0.190 1.00 0.00 O ATOM 0 H SER A 73 11.801 -2.730 0.521 1.00 0.00 H new ATOM 0 HA SER A 73 14.121 -0.889 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.551 -2.916 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.081 -2.446 -0.948 1.00 0.00 H new ATOM 0 HG SER A 73 14.368 -4.539 -0.202 1.00 0.00 H new ATOM 1137 N MET A 74 11.811 -0.971 -1.935 1.00 0.00 N ATOM 1138 CA MET A 74 11.220 -0.095 -2.994 1.00 0.00 C ATOM 1139 C MET A 74 10.925 1.277 -2.380 1.00 0.00 C ATOM 1140 O MET A 74 11.098 2.301 -3.010 1.00 0.00 O ATOM 1141 CB MET A 74 9.907 -0.702 -3.521 1.00 0.00 C ATOM 1142 CG MET A 74 10.192 -1.826 -4.527 1.00 0.00 C ATOM 1143 SD MET A 74 8.700 -2.152 -5.510 1.00 0.00 S ATOM 1144 CE MET A 74 7.657 -2.795 -4.175 1.00 0.00 C ATOM 0 H MET A 74 11.394 -1.898 -1.849 1.00 0.00 H new ATOM 0 HA MET A 74 11.923 -0.004 -3.822 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.322 -1.093 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.307 0.074 -3.996 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.017 -1.543 -5.181 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.499 -2.730 -4.001 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.881 -3.435 -4.595 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.268 -3.373 -3.482 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.193 -1.964 -3.643 1.00 0.00 H new