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 Set 1.1: A 13 LYS NZ :NH3+ 152:sc= 0.719 (180deg=0.443) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -99:sc= -4.06! USER MOD Single : A 21 ASN :FLIP amide:sc= -4.79! C(o=-8!,f=-4.8!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.17! C(o=-11!,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.23) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= -0.206 (180deg=-0.553!) USER MOD Single : A 35 MET CE :methyl -130:sc= -2.07 (180deg=-5.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -59:sc= 0.0847 USER MOD Single : A 48 GLN : amide:sc= -0.496 K(o=-0.5,f=-3!) 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 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -39:sc= 0.435 USER MOD Single : A 67 SER OG : rot 180:sc= -0.428 USER MOD Single : A 73 SER OG : rot -160:sc= -1.74 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.355 -1.272 9.909 1.00 0.00 N ATOM 105 CA CYS A 8 10.199 -1.342 8.973 1.00 0.00 C ATOM 106 C CYS A 8 9.968 -2.793 8.534 1.00 0.00 C ATOM 107 O CYS A 8 8.865 -3.292 8.584 1.00 0.00 O ATOM 108 CB CYS A 8 10.467 -0.451 7.752 1.00 0.00 C ATOM 109 SG CYS A 8 11.591 -1.282 6.602 1.00 0.00 S ATOM 0 HA CYS A 8 9.303 -0.985 9.480 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.528 -0.219 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.899 0.497 8.073 1.00 0.00 H new ATOM 114 N GLU A 9 10.993 -3.476 8.098 1.00 0.00 N ATOM 115 CA GLU A 9 10.788 -4.900 7.653 1.00 0.00 C ATOM 116 C GLU A 9 10.105 -5.688 8.773 1.00 0.00 C ATOM 117 O GLU A 9 9.198 -6.461 8.536 1.00 0.00 O ATOM 118 CB GLU A 9 12.118 -5.601 7.282 1.00 0.00 C ATOM 119 CG GLU A 9 12.951 -5.887 8.540 1.00 0.00 C ATOM 120 CD GLU A 9 14.360 -6.316 8.127 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.913 -5.689 7.238 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.863 -7.265 8.707 1.00 0.00 O ATOM 0 H GLU A 9 11.948 -3.125 8.028 1.00 0.00 H new ATOM 0 HA GLU A 9 10.165 -4.875 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.909 -6.534 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.688 -4.972 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.999 -4.998 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.479 -6.671 9.132 1.00 0.00 H new ATOM 129 N PHE A 10 10.536 -5.503 9.990 1.00 0.00 N ATOM 130 CA PHE A 10 9.913 -6.247 11.121 1.00 0.00 C ATOM 131 C PHE A 10 8.411 -5.957 11.169 1.00 0.00 C ATOM 132 O PHE A 10 7.607 -6.843 11.387 1.00 0.00 O ATOM 133 CB PHE A 10 10.559 -5.805 12.437 1.00 0.00 C ATOM 134 CG PHE A 10 9.936 -6.563 13.584 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.411 -7.836 13.922 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.884 -5.992 14.310 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.834 -8.538 14.987 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.306 -6.696 15.375 1.00 0.00 C ATOM 139 CZ PHE A 10 8.781 -7.968 15.713 1.00 0.00 C ATOM 0 H PHE A 10 11.292 -4.870 10.250 1.00 0.00 H new ATOM 0 HA PHE A 10 10.068 -7.316 10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.633 -5.989 12.407 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.423 -4.733 12.579 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.222 -8.276 13.361 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.518 -5.010 14.050 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.201 -9.519 15.249 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.494 -6.257 15.935 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.335 -8.510 16.534 1.00 0.00 H new ATOM 149 N LEU A 11 8.024 -4.727 10.973 1.00 0.00 N ATOM 150 CA LEU A 11 6.572 -4.387 11.014 1.00 0.00 C ATOM 151 C LEU A 11 5.919 -4.750 9.679 1.00 0.00 C ATOM 152 O LEU A 11 4.925 -5.446 9.634 1.00 0.00 O ATOM 153 CB LEU A 11 6.407 -2.885 11.264 1.00 0.00 C ATOM 154 CG LEU A 11 7.027 -2.507 12.618 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.265 -0.996 12.668 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.086 -2.909 13.766 1.00 0.00 C ATOM 0 H LEU A 11 8.649 -3.943 10.786 1.00 0.00 H new ATOM 0 HA LEU A 11 6.094 -4.949 11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.886 -2.320 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.350 -2.620 11.252 1.00 0.00 H new ATOM 0 HG LEU A 11 7.974 -3.035 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.705 -0.729 13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.944 -0.708 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.316 -0.474 12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.538 -2.635 14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.133 -2.391 13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.919 -3.986 13.739 1.00 0.00 H new ATOM 168 N VAL A 12 6.465 -4.280 8.593 1.00 0.00 N ATOM 169 CA VAL A 12 5.869 -4.592 7.267 1.00 0.00 C ATOM 170 C VAL A 12 5.760 -6.110 7.094 1.00 0.00 C ATOM 171 O VAL A 12 4.934 -6.590 6.349 1.00 0.00 O ATOM 172 CB VAL A 12 6.747 -4.006 6.158 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.087 -4.257 4.801 1.00 0.00 C ATOM 174 CG2 VAL A 12 6.906 -2.496 6.372 1.00 0.00 C ATOM 0 H VAL A 12 7.299 -3.693 8.567 1.00 0.00 H new ATOM 0 HA VAL A 12 4.873 -4.153 7.207 1.00 0.00 H new ATOM 0 HB VAL A 12 7.727 -4.482 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.711 -3.840 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.972 -5.330 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.107 -3.780 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.531 -2.080 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.926 -2.020 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.374 -2.313 7.339 1.00 0.00 H new ATOM 184 N LYS A 13 6.582 -6.867 7.779 1.00 0.00 N ATOM 185 CA LYS A 13 6.520 -8.355 7.657 1.00 0.00 C ATOM 186 C LYS A 13 5.450 -8.905 8.609 1.00 0.00 C ATOM 187 O LYS A 13 4.717 -9.814 8.272 1.00 0.00 O ATOM 188 CB LYS A 13 7.883 -8.939 8.020 1.00 0.00 C ATOM 189 CG LYS A 13 7.887 -10.483 7.826 1.00 0.00 C ATOM 190 CD LYS A 13 8.384 -11.189 9.097 1.00 0.00 C ATOM 191 CE LYS A 13 7.256 -11.240 10.129 1.00 0.00 C ATOM 192 NZ LYS A 13 7.768 -11.832 11.397 1.00 0.00 N ATOM 0 H LYS A 13 7.295 -6.516 8.419 1.00 0.00 H new ATOM 0 HA LYS A 13 6.262 -8.632 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.656 -8.487 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.125 -8.697 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.882 -10.827 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.526 -10.747 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.718 -12.199 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.243 -10.658 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.872 -10.237 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.426 -11.834 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.222 -11.459 12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.669 -12.867 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.771 -11.584 11.516 1.00 0.00 H new ATOM 206 N GLU A 14 5.347 -8.358 9.794 1.00 0.00 N ATOM 207 CA GLU A 14 4.313 -8.847 10.756 1.00 0.00 C ATOM 208 C GLU A 14 2.932 -8.454 10.228 1.00 0.00 C ATOM 209 O GLU A 14 2.044 -9.265 10.083 1.00 0.00 O ATOM 210 CB GLU A 14 4.532 -8.198 12.127 1.00 0.00 C ATOM 211 CG GLU A 14 5.741 -8.833 12.818 1.00 0.00 C ATOM 212 CD GLU A 14 5.408 -10.272 13.216 1.00 0.00 C ATOM 213 OE1 GLU A 14 4.260 -10.525 13.542 1.00 0.00 O ATOM 214 OE2 GLU A 14 6.308 -11.097 13.191 1.00 0.00 O ATOM 0 H GLU A 14 5.932 -7.596 10.136 1.00 0.00 H new ATOM 0 HA GLU A 14 4.386 -9.930 10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.691 -7.126 12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.642 -8.323 12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.602 -8.820 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.013 -8.255 13.701 1.00 0.00 H new ATOM 221 N VAL A 15 2.751 -7.208 9.924 1.00 0.00 N ATOM 222 CA VAL A 15 1.440 -6.760 9.386 1.00 0.00 C ATOM 223 C VAL A 15 1.074 -7.652 8.203 1.00 0.00 C ATOM 224 O VAL A 15 -0.066 -8.025 8.030 1.00 0.00 O ATOM 225 CB VAL A 15 1.544 -5.285 8.966 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.322 -5.163 7.650 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.133 -4.688 8.813 1.00 0.00 C ATOM 0 H VAL A 15 3.454 -6.475 10.024 1.00 0.00 H new ATOM 0 HA VAL A 15 0.659 -6.841 10.142 1.00 0.00 H new ATOM 0 HB VAL A 15 2.081 -4.731 9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.389 -4.114 7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.325 -5.568 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.805 -5.721 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.211 -3.642 8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.416 -5.242 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.396 -4.756 9.764 1.00 0.00 H new ATOM 237 N THR A 16 2.039 -8.016 7.404 1.00 0.00 N ATOM 238 CA THR A 16 1.748 -8.904 6.247 1.00 0.00 C ATOM 239 C THR A 16 1.151 -10.217 6.764 1.00 0.00 C ATOM 240 O THR A 16 0.162 -10.699 6.259 1.00 0.00 O ATOM 241 CB THR A 16 3.060 -9.178 5.489 1.00 0.00 C ATOM 242 OG1 THR A 16 4.123 -8.716 6.279 1.00 0.00 O ATOM 243 CG2 THR A 16 3.060 -8.440 4.149 1.00 0.00 C ATOM 0 H THR A 16 3.015 -7.736 7.503 1.00 0.00 H new ATOM 0 HA THR A 16 1.035 -8.430 5.572 1.00 0.00 H new ATOM 0 HB THR A 16 3.162 -10.246 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.409 -7.835 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.993 -8.642 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.221 -8.783 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.967 -7.368 4.324 1.00 0.00 H new ATOM 251 N LYS A 17 1.751 -10.803 7.763 1.00 0.00 N ATOM 252 CA LYS A 17 1.216 -12.087 8.299 1.00 0.00 C ATOM 253 C LYS A 17 -0.298 -11.962 8.511 1.00 0.00 C ATOM 254 O LYS A 17 -1.039 -12.904 8.309 1.00 0.00 O ATOM 255 CB LYS A 17 1.916 -12.421 9.630 1.00 0.00 C ATOM 256 CG LYS A 17 3.247 -13.130 9.355 1.00 0.00 C ATOM 257 CD LYS A 17 3.908 -13.509 10.683 1.00 0.00 C ATOM 258 CE LYS A 17 5.031 -14.516 10.426 1.00 0.00 C ATOM 259 NZ LYS A 17 5.726 -14.823 11.707 1.00 0.00 N ATOM 0 H LYS A 17 2.586 -10.450 8.230 1.00 0.00 H new ATOM 0 HA LYS A 17 1.408 -12.890 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.091 -11.507 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.274 -13.057 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.078 -14.023 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.906 -12.479 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.308 -12.619 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.169 -13.938 11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.623 -15.429 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.739 -14.110 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.489 -15.507 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.128 -13.949 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.046 -15.227 12.382 1.00 0.00 H new ATOM 273 N LEU A 18 -0.769 -10.807 8.912 1.00 0.00 N ATOM 274 CA LEU A 18 -2.238 -10.627 9.130 1.00 0.00 C ATOM 275 C LEU A 18 -2.880 -10.106 7.832 1.00 0.00 C ATOM 276 O LEU A 18 -3.966 -10.501 7.465 1.00 0.00 O ATOM 277 CB LEU A 18 -2.441 -9.669 10.339 1.00 0.00 C ATOM 278 CG LEU A 18 -2.955 -8.281 9.914 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.439 -8.369 9.478 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.800 -7.321 11.102 1.00 0.00 C ATOM 0 H LEU A 18 -0.200 -9.981 9.098 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.729 -11.570 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.148 -10.116 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.496 -9.556 10.871 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.377 -7.914 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.790 -7.381 9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.531 -9.056 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.042 -8.732 10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.159 -6.331 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.381 -7.691 11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.749 -7.258 11.384 1.00 0.00 H new ATOM 292 N ILE A 19 -2.211 -9.235 7.140 1.00 0.00 N ATOM 293 CA ILE A 19 -2.760 -8.691 5.870 1.00 0.00 C ATOM 294 C ILE A 19 -2.632 -9.770 4.783 1.00 0.00 C ATOM 295 O ILE A 19 -3.188 -9.650 3.709 1.00 0.00 O ATOM 296 CB ILE A 19 -1.912 -7.454 5.508 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.518 -6.178 6.101 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.774 -7.278 3.998 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.494 -5.033 6.008 1.00 0.00 C ATOM 0 H ILE A 19 -1.295 -8.871 7.402 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.810 -8.412 5.962 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.923 -7.623 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.428 -5.911 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.799 -6.345 7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.170 -6.395 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.292 -8.158 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.762 -7.155 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.924 -4.125 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.596 -5.302 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.235 -4.861 4.963 1.00 0.00 H new ATOM 311 N ASP A 20 -1.871 -10.797 5.054 1.00 0.00 N ATOM 312 CA ASP A 20 -1.649 -11.881 4.049 1.00 0.00 C ATOM 313 C ASP A 20 -2.940 -12.177 3.273 1.00 0.00 C ATOM 314 O ASP A 20 -2.913 -12.431 2.086 1.00 0.00 O ATOM 315 CB ASP A 20 -1.191 -13.151 4.769 1.00 0.00 C ATOM 316 CG ASP A 20 -0.838 -14.225 3.738 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.629 -13.870 2.590 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.784 -15.384 4.115 1.00 0.00 O ATOM 0 H ASP A 20 -1.387 -10.934 5.941 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.886 -11.552 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.325 -12.934 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.980 -13.511 5.429 1.00 0.00 H new ATOM 323 N ASN A 21 -4.070 -12.141 3.930 1.00 0.00 N ATOM 324 CA ASN A 21 -5.354 -12.416 3.219 1.00 0.00 C ATOM 325 C ASN A 21 -6.518 -11.788 3.981 1.00 0.00 C ATOM 326 O ASN A 21 -7.590 -12.352 4.064 1.00 0.00 O ATOM 327 CB ASN A 21 -5.582 -13.923 3.114 1.00 0.00 C ATOM 328 CG ASN A 21 -4.500 -14.546 2.230 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.345 -14.852 2.752 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -4.709 -14.755 1.051 1.00 0.00 N flip ATOM 0 H ASN A 21 -4.159 -11.934 4.925 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.297 -11.985 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.560 -14.374 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.568 -14.123 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.613 -14.516 0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.981 -15.170 0.470 1.00 0.00 H new ATOM 337 N ASN A 22 -6.314 -10.620 4.531 1.00 0.00 N ATOM 338 CA ASN A 22 -7.402 -9.930 5.290 1.00 0.00 C ATOM 339 C ASN A 22 -7.786 -8.659 4.541 1.00 0.00 C ATOM 340 O ASN A 22 -8.941 -8.290 4.468 1.00 0.00 O ATOM 341 CB ASN A 22 -6.893 -9.576 6.687 1.00 0.00 C ATOM 342 CG ASN A 22 -6.547 -10.864 7.437 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.916 -11.823 6.810 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.855 -11.002 8.605 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.432 -10.109 4.487 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.272 -10.580 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.014 -8.935 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.652 -9.016 7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.347 -10.254 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.621 -11.865 9.095 1.00 0.00 H new ATOM 351 N LYS A 23 -6.822 -7.989 3.975 1.00 0.00 N ATOM 352 CA LYS A 23 -7.120 -6.752 3.222 1.00 0.00 C ATOM 353 C LYS A 23 -7.744 -7.130 1.876 1.00 0.00 C ATOM 354 O LYS A 23 -7.164 -6.929 0.827 1.00 0.00 O ATOM 355 CB LYS A 23 -5.807 -5.964 3.011 1.00 0.00 C ATOM 356 CG LYS A 23 -5.673 -4.887 4.094 1.00 0.00 C ATOM 357 CD LYS A 23 -6.655 -3.725 3.796 1.00 0.00 C ATOM 358 CE LYS A 23 -7.376 -3.301 5.078 1.00 0.00 C ATOM 359 NZ LYS A 23 -8.018 -1.972 4.875 1.00 0.00 N ATOM 0 H LYS A 23 -5.837 -8.251 4.005 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.821 -6.126 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.954 -6.642 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.802 -5.503 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.886 -5.314 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.650 -4.513 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.111 -2.878 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.383 -4.037 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.129 -4.042 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.668 -3.252 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.330 -1.593 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.333 -1.318 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.840 -2.076 4.246 1.00 0.00 H new ATOM 373 N THR A 24 -8.927 -7.671 1.896 1.00 0.00 N ATOM 374 CA THR A 24 -9.583 -8.047 0.620 1.00 0.00 C ATOM 375 C THR A 24 -9.900 -6.774 -0.160 1.00 0.00 C ATOM 376 O THR A 24 -9.479 -5.698 0.207 1.00 0.00 O ATOM 377 CB THR A 24 -10.867 -8.820 0.917 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.694 -8.050 1.779 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.510 -10.143 1.592 1.00 0.00 C ATOM 0 H THR A 24 -9.466 -7.868 2.739 1.00 0.00 H new ATOM 0 HA THR A 24 -8.923 -8.681 0.028 1.00 0.00 H new ATOM 0 HB THR A 24 -11.402 -9.018 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.519 -8.544 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.422 -10.700 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.874 -10.730 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.978 -9.945 2.523 1.00 0.00 H new ATOM 387 N GLU A 25 -10.626 -6.887 -1.238 1.00 0.00 N ATOM 388 CA GLU A 25 -10.967 -5.680 -2.063 1.00 0.00 C ATOM 389 C GLU A 25 -12.417 -5.263 -1.805 1.00 0.00 C ATOM 390 O GLU A 25 -12.988 -4.487 -2.544 1.00 0.00 O ATOM 391 CB GLU A 25 -10.784 -6.013 -3.549 1.00 0.00 C ATOM 392 CG GLU A 25 -11.208 -7.463 -3.815 1.00 0.00 C ATOM 393 CD GLU A 25 -10.104 -8.420 -3.358 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.116 -7.941 -2.825 1.00 0.00 O ATOM 395 OE2 GLU A 25 -10.265 -9.614 -3.550 1.00 0.00 O ATOM 0 H GLU A 25 -11.003 -7.767 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.307 -4.858 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.379 -5.333 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.742 -5.871 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.135 -7.683 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.407 -7.604 -4.877 1.00 0.00 H new ATOM 402 N LYS A 26 -13.014 -5.766 -0.767 1.00 0.00 N ATOM 403 CA LYS A 26 -14.424 -5.396 -0.464 1.00 0.00 C ATOM 404 C LYS A 26 -14.419 -4.156 0.422 1.00 0.00 C ATOM 405 O LYS A 26 -15.104 -3.185 0.163 1.00 0.00 O ATOM 406 CB LYS A 26 -15.111 -6.562 0.264 1.00 0.00 C ATOM 407 CG LYS A 26 -14.631 -7.882 -0.326 1.00 0.00 C ATOM 408 CD LYS A 26 -14.884 -7.884 -1.833 1.00 0.00 C ATOM 409 CE LYS A 26 -14.664 -9.292 -2.371 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.026 -9.336 -3.816 1.00 0.00 N ATOM 0 H LYS A 26 -12.587 -6.420 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.968 -5.187 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.884 -6.524 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.193 -6.479 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.569 -8.019 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.155 -8.715 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.901 -7.555 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.213 -7.183 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.623 -9.585 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.270 -10.005 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.876 -10.298 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.026 -9.074 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.430 -8.667 -4.344 1.00 0.00 H new ATOM 424 N GLU A 27 -13.634 -4.180 1.460 1.00 0.00 N ATOM 425 CA GLU A 27 -13.568 -3.005 2.360 1.00 0.00 C ATOM 426 C GLU A 27 -12.792 -1.887 1.665 1.00 0.00 C ATOM 427 O GLU A 27 -12.768 -0.760 2.118 1.00 0.00 O ATOM 428 CB GLU A 27 -12.854 -3.382 3.663 1.00 0.00 C ATOM 429 CG GLU A 27 -13.523 -4.611 4.292 1.00 0.00 C ATOM 430 CD GLU A 27 -13.149 -4.701 5.774 1.00 0.00 C ATOM 431 OE1 GLU A 27 -13.674 -3.915 6.546 1.00 0.00 O ATOM 432 OE2 GLU A 27 -12.344 -5.552 6.111 1.00 0.00 O ATOM 0 H GLU A 27 -13.036 -4.964 1.722 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.579 -2.670 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.803 -3.592 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.885 -2.544 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.605 -4.543 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.207 -5.515 3.772 1.00 0.00 H new ATOM 439 N ILE A 28 -12.144 -2.196 0.573 1.00 0.00 N ATOM 440 CA ILE A 28 -11.352 -1.168 -0.150 1.00 0.00 C ATOM 441 C ILE A 28 -12.196 -0.507 -1.232 1.00 0.00 C ATOM 442 O ILE A 28 -12.578 0.640 -1.117 1.00 0.00 O ATOM 443 CB ILE A 28 -10.163 -1.851 -0.814 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.352 -2.628 0.230 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.292 -0.795 -1.475 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.983 -1.727 1.407 1.00 0.00 C ATOM 0 H ILE A 28 -12.132 -3.124 0.151 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.022 -0.409 0.559 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.518 -2.554 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.930 -3.481 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.446 -3.026 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.438 -1.275 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.875 -0.260 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.938 -0.092 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.408 -2.298 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.385 -0.888 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.892 -1.351 1.876 1.00 0.00 H new ATOM 458 N LEU A 29 -12.471 -1.214 -2.296 1.00 0.00 N ATOM 459 CA LEU A 29 -13.273 -0.614 -3.397 1.00 0.00 C ATOM 460 C LEU A 29 -14.483 0.110 -2.802 1.00 0.00 C ATOM 461 O LEU A 29 -14.964 1.088 -3.342 1.00 0.00 O ATOM 462 CB LEU A 29 -13.733 -1.711 -4.364 1.00 0.00 C ATOM 463 CG LEU A 29 -12.521 -2.525 -4.840 1.00 0.00 C ATOM 464 CD1 LEU A 29 -13.005 -3.697 -5.700 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.578 -1.636 -5.669 1.00 0.00 C ATOM 0 H LEU A 29 -12.175 -2.178 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.662 0.101 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.452 -2.366 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.242 -1.265 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.980 -2.902 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.147 -4.277 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.663 -4.334 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.549 -3.314 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.722 -2.224 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.112 -1.250 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.231 -0.804 -5.057 1.00 0.00 H new ATOM 477 N ASP A 30 -14.957 -0.339 -1.671 1.00 0.00 N ATOM 478 CA ASP A 30 -16.104 0.353 -1.031 1.00 0.00 C ATOM 479 C ASP A 30 -15.579 1.638 -0.396 1.00 0.00 C ATOM 480 O ASP A 30 -16.089 2.723 -0.629 1.00 0.00 O ATOM 481 CB ASP A 30 -16.713 -0.545 0.049 1.00 0.00 C ATOM 482 CG ASP A 30 -17.925 0.152 0.668 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.512 0.984 -0.003 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.246 -0.157 1.805 1.00 0.00 O ATOM 0 H ASP A 30 -14.600 -1.151 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.873 0.579 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.011 -1.500 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.972 -0.760 0.819 1.00 0.00 H new ATOM 489 N ALA A 31 -14.540 1.530 0.393 1.00 0.00 N ATOM 490 CA ALA A 31 -13.960 2.743 1.031 1.00 0.00 C ATOM 491 C ALA A 31 -13.825 3.840 -0.013 1.00 0.00 C ATOM 492 O ALA A 31 -14.320 4.930 0.160 1.00 0.00 O ATOM 493 CB ALA A 31 -12.588 2.427 1.611 1.00 0.00 C ATOM 0 H ALA A 31 -14.071 0.653 0.621 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.617 3.073 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.174 3.322 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.682 1.641 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.924 2.092 0.814 1.00 0.00 H new ATOM 499 N PHE A 32 -13.171 3.569 -1.108 1.00 0.00 N ATOM 500 CA PHE A 32 -13.040 4.623 -2.149 1.00 0.00 C ATOM 501 C PHE A 32 -14.433 5.188 -2.443 1.00 0.00 C ATOM 502 O PHE A 32 -14.610 6.378 -2.587 1.00 0.00 O ATOM 503 CB PHE A 32 -12.421 4.032 -3.426 1.00 0.00 C ATOM 504 CG PHE A 32 -10.924 3.886 -3.248 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.079 4.977 -3.489 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.381 2.659 -2.847 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.695 4.841 -3.328 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.996 2.525 -2.689 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.155 3.614 -2.928 1.00 0.00 C ATOM 0 H PHE A 32 -12.728 2.676 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.386 5.419 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.867 3.061 -3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.634 4.678 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.496 5.924 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.030 1.816 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.044 5.683 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.578 1.578 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.087 3.509 -2.804 1.00 0.00 H new ATOM 519 N ASP A 33 -15.438 4.356 -2.496 1.00 0.00 N ATOM 520 CA ASP A 33 -16.800 4.888 -2.751 1.00 0.00 C ATOM 521 C ASP A 33 -17.173 5.843 -1.618 1.00 0.00 C ATOM 522 O ASP A 33 -18.189 6.505 -1.662 1.00 0.00 O ATOM 523 CB ASP A 33 -17.807 3.737 -2.816 1.00 0.00 C ATOM 524 CG ASP A 33 -19.109 4.231 -3.452 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.279 5.436 -3.545 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.913 3.397 -3.834 1.00 0.00 O ATOM 0 H ASP A 33 -15.374 3.345 -2.375 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.817 5.419 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.396 2.913 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.002 3.354 -1.814 1.00 0.00 H new ATOM 531 N LYS A 34 -16.351 5.905 -0.596 1.00 0.00 N ATOM 532 CA LYS A 34 -16.631 6.813 0.568 1.00 0.00 C ATOM 533 C LYS A 34 -15.673 8.014 0.558 1.00 0.00 C ATOM 534 O LYS A 34 -16.079 9.137 0.336 1.00 0.00 O ATOM 535 CB LYS A 34 -16.441 6.040 1.880 1.00 0.00 C ATOM 536 CG LYS A 34 -17.257 4.743 1.838 1.00 0.00 C ATOM 537 CD LYS A 34 -16.977 3.902 3.104 1.00 0.00 C ATOM 538 CE LYS A 34 -17.195 2.411 2.815 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.652 2.141 2.660 1.00 0.00 N ATOM 0 H LYS A 34 -15.491 5.362 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.657 7.172 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.386 5.812 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.758 6.653 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.320 4.974 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.000 4.171 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.953 4.068 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.633 4.222 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.663 2.124 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.787 1.809 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.804 1.120 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.157 2.462 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.013 2.652 1.829 1.00 0.00 H new ATOM 553 N MET A 35 -14.408 7.796 0.819 1.00 0.00 N ATOM 554 CA MET A 35 -13.447 8.946 0.843 1.00 0.00 C ATOM 555 C MET A 35 -13.387 9.580 -0.544 1.00 0.00 C ATOM 556 O MET A 35 -13.468 10.782 -0.693 1.00 0.00 O ATOM 557 CB MET A 35 -12.021 8.492 1.227 1.00 0.00 C ATOM 558 CG MET A 35 -12.034 7.447 2.362 1.00 0.00 C ATOM 559 SD MET A 35 -10.606 6.343 2.170 1.00 0.00 S ATOM 560 CE MET A 35 -11.120 5.568 0.612 1.00 0.00 C ATOM 0 H MET A 35 -14.000 6.882 1.015 1.00 0.00 H new ATOM 0 HA MET A 35 -13.801 9.658 1.589 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.527 8.071 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.436 9.358 1.538 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.997 7.944 3.331 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.960 6.873 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.054 4.484 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.148 5.851 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.467 5.903 -0.194 1.00 0.00 H new ATOM 570 N CYS A 36 -13.237 8.780 -1.562 1.00 0.00 N ATOM 571 CA CYS A 36 -13.164 9.339 -2.934 1.00 0.00 C ATOM 572 C CYS A 36 -14.576 9.713 -3.384 1.00 0.00 C ATOM 573 O CYS A 36 -14.865 9.816 -4.560 1.00 0.00 O ATOM 574 CB CYS A 36 -12.546 8.294 -3.870 1.00 0.00 C ATOM 575 SG CYS A 36 -12.205 9.053 -5.475 1.00 0.00 S ATOM 0 H CYS A 36 -13.162 7.765 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.539 10.232 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.625 7.902 -3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.226 7.451 -3.991 1.00 0.00 H new ATOM 580 N SER A 37 -15.454 9.931 -2.437 1.00 0.00 N ATOM 581 CA SER A 37 -16.857 10.319 -2.761 1.00 0.00 C ATOM 582 C SER A 37 -16.973 11.844 -2.703 1.00 0.00 C ATOM 583 O SER A 37 -17.524 12.477 -3.581 1.00 0.00 O ATOM 584 CB SER A 37 -17.801 9.699 -1.725 1.00 0.00 C ATOM 585 OG SER A 37 -19.119 9.658 -2.256 1.00 0.00 O ATOM 0 H SER A 37 -15.253 9.855 -1.440 1.00 0.00 H new ATOM 0 HA SER A 37 -17.123 9.964 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.468 8.693 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.785 10.284 -0.805 1.00 0.00 H new ATOM 0 HG SER A 37 -19.725 9.260 -1.597 1.00 0.00 H new ATOM 591 N LYS A 38 -16.453 12.428 -1.658 1.00 0.00 N ATOM 592 CA LYS A 38 -16.514 13.908 -1.499 1.00 0.00 C ATOM 593 C LYS A 38 -15.520 14.575 -2.453 1.00 0.00 C ATOM 594 O LYS A 38 -15.627 15.748 -2.754 1.00 0.00 O ATOM 595 CB LYS A 38 -16.152 14.269 -0.054 1.00 0.00 C ATOM 596 CG LYS A 38 -14.757 13.719 0.282 1.00 0.00 C ATOM 597 CD LYS A 38 -14.566 13.680 1.801 1.00 0.00 C ATOM 598 CE LYS A 38 -13.104 13.359 2.123 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.871 13.516 3.586 1.00 0.00 N ATOM 0 H LYS A 38 -15.983 11.936 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.520 14.258 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.168 15.351 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.892 13.855 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.641 12.718 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.990 14.345 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.844 14.639 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.220 12.928 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.868 12.341 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.444 14.023 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.878 13.298 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.081 14.495 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.491 12.865 4.108 1.00 0.00 H new ATOM 613 N LEU A 39 -14.547 13.840 -2.920 1.00 0.00 N ATOM 614 CA LEU A 39 -13.529 14.430 -3.848 1.00 0.00 C ATOM 615 C LEU A 39 -14.252 15.284 -4.922 1.00 0.00 C ATOM 616 O LEU A 39 -15.332 14.917 -5.339 1.00 0.00 O ATOM 617 CB LEU A 39 -12.754 13.271 -4.552 1.00 0.00 C ATOM 618 CG LEU A 39 -11.206 13.390 -4.365 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.703 12.283 -3.432 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.507 13.260 -5.726 1.00 0.00 C ATOM 0 H LEU A 39 -14.410 12.853 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.835 15.056 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.093 12.315 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.990 13.273 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.979 14.362 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.624 12.374 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.189 12.377 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.938 11.310 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.429 13.344 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.744 12.291 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.852 14.053 -6.389 1.00 0.00 H new ATOM 632 N PRO A 40 -13.642 16.367 -5.387 1.00 0.00 N ATOM 633 CA PRO A 40 -14.268 17.170 -6.444 1.00 0.00 C ATOM 634 C PRO A 40 -14.496 16.250 -7.649 1.00 0.00 C ATOM 635 O PRO A 40 -13.607 15.524 -8.046 1.00 0.00 O ATOM 636 CB PRO A 40 -13.251 18.290 -6.761 1.00 0.00 C ATOM 637 CG PRO A 40 -12.059 18.132 -5.777 1.00 0.00 C ATOM 638 CD PRO A 40 -12.328 16.874 -4.923 1.00 0.00 C ATOM 0 HA PRO A 40 -15.229 17.604 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.908 18.216 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.713 19.271 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.121 18.032 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.966 19.014 -5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.546 16.128 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.352 17.116 -3.861 1.00 0.00 H new ATOM 646 N LYS A 41 -15.678 16.258 -8.207 1.00 0.00 N ATOM 647 CA LYS A 41 -15.985 15.364 -9.368 1.00 0.00 C ATOM 648 C LYS A 41 -14.776 15.206 -10.289 1.00 0.00 C ATOM 649 O LYS A 41 -14.345 14.110 -10.591 1.00 0.00 O ATOM 650 CB LYS A 41 -17.138 15.955 -10.175 1.00 0.00 C ATOM 651 CG LYS A 41 -17.670 14.891 -11.140 1.00 0.00 C ATOM 652 CD LYS A 41 -18.403 13.771 -10.361 1.00 0.00 C ATOM 653 CE LYS A 41 -19.610 13.281 -11.165 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.178 12.064 -10.521 1.00 0.00 N ATOM 0 H LYS A 41 -16.452 16.850 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.253 14.384 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.932 16.288 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.799 16.830 -10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.351 15.350 -11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.845 14.465 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.721 12.942 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.729 14.145 -9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.367 14.064 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.311 13.057 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.998 11.732 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.455 11.317 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.478 12.292 -9.552 1.00 0.00 H new ATOM 668 N SER A 42 -14.245 16.295 -10.747 1.00 0.00 N ATOM 669 CA SER A 42 -13.072 16.239 -11.670 1.00 0.00 C ATOM 670 C SER A 42 -12.050 15.212 -11.181 1.00 0.00 C ATOM 671 O SER A 42 -11.759 14.241 -11.855 1.00 0.00 O ATOM 672 CB SER A 42 -12.406 17.611 -11.715 1.00 0.00 C ATOM 673 OG SER A 42 -13.368 18.589 -12.086 1.00 0.00 O ATOM 0 H SER A 42 -14.571 17.235 -10.524 1.00 0.00 H new ATOM 0 HA SER A 42 -13.421 15.950 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.981 17.854 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.583 17.605 -12.429 1.00 0.00 H new ATOM 0 HG SER A 42 -12.943 19.472 -12.114 1.00 0.00 H new ATOM 679 N LEU A 43 -11.494 15.413 -10.018 1.00 0.00 N ATOM 680 CA LEU A 43 -10.487 14.444 -9.511 1.00 0.00 C ATOM 681 C LEU A 43 -11.198 13.239 -8.899 1.00 0.00 C ATOM 682 O LEU A 43 -10.560 12.307 -8.476 1.00 0.00 O ATOM 683 CB LEU A 43 -9.592 15.103 -8.448 1.00 0.00 C ATOM 684 CG LEU A 43 -8.447 15.871 -9.114 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.001 17.114 -9.803 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.437 16.273 -8.039 1.00 0.00 C ATOM 0 H LEU A 43 -11.693 16.201 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.864 14.121 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.185 15.782 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.188 14.341 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.958 15.245 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.186 17.661 -10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.727 16.817 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.486 17.753 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.615 16.821 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.926 16.906 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.049 15.379 -7.552 1.00 0.00 H new ATOM 698 N SER A 44 -12.508 13.231 -8.868 1.00 0.00 N ATOM 699 CA SER A 44 -13.219 12.055 -8.306 1.00 0.00 C ATOM 700 C SER A 44 -13.292 11.037 -9.425 1.00 0.00 C ATOM 701 O SER A 44 -13.379 9.843 -9.213 1.00 0.00 O ATOM 702 CB SER A 44 -14.632 12.443 -7.847 1.00 0.00 C ATOM 703 OG SER A 44 -15.562 12.178 -8.891 1.00 0.00 O ATOM 0 H SER A 44 -13.107 13.984 -9.206 1.00 0.00 H new ATOM 0 HA SER A 44 -12.698 11.658 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.903 11.880 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.661 13.499 -7.579 1.00 0.00 H new ATOM 0 HG SER A 44 -15.314 12.692 -9.688 1.00 0.00 H new ATOM 709 N GLU A 45 -13.226 11.527 -10.634 1.00 0.00 N ATOM 710 CA GLU A 45 -13.263 10.636 -11.803 1.00 0.00 C ATOM 711 C GLU A 45 -11.843 10.098 -12.016 1.00 0.00 C ATOM 712 O GLU A 45 -11.644 8.951 -12.361 1.00 0.00 O ATOM 713 CB GLU A 45 -13.771 11.449 -13.024 1.00 0.00 C ATOM 714 CG GLU A 45 -12.944 11.155 -14.281 1.00 0.00 C ATOM 715 CD GLU A 45 -13.631 11.773 -15.501 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.082 12.901 -15.394 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.691 11.107 -16.521 1.00 0.00 O ATOM 0 H GLU A 45 -13.147 12.520 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.939 9.793 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.818 11.209 -13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.724 12.514 -12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.939 11.562 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.839 10.079 -14.416 1.00 0.00 H new ATOM 724 N GLU A 46 -10.855 10.926 -11.802 1.00 0.00 N ATOM 725 CA GLU A 46 -9.449 10.473 -11.983 1.00 0.00 C ATOM 726 C GLU A 46 -9.005 9.661 -10.760 1.00 0.00 C ATOM 727 O GLU A 46 -8.080 8.873 -10.827 1.00 0.00 O ATOM 728 CB GLU A 46 -8.539 11.693 -12.141 1.00 0.00 C ATOM 729 CG GLU A 46 -9.025 12.545 -13.315 1.00 0.00 C ATOM 730 CD GLU A 46 -8.116 13.766 -13.471 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.679 14.287 -12.459 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.875 14.159 -14.601 1.00 0.00 O ATOM 0 H GLU A 46 -10.963 11.897 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.383 9.848 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.542 12.283 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.511 11.373 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.021 11.956 -14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.054 12.863 -13.146 1.00 0.00 H new ATOM 739 N CYS A 47 -9.657 9.849 -9.644 1.00 0.00 N ATOM 740 CA CYS A 47 -9.275 9.096 -8.413 1.00 0.00 C ATOM 741 C CYS A 47 -9.818 7.666 -8.511 1.00 0.00 C ATOM 742 O CYS A 47 -9.224 6.731 -8.013 1.00 0.00 O ATOM 743 CB CYS A 47 -9.876 9.815 -7.191 1.00 0.00 C ATOM 744 SG CYS A 47 -10.257 8.659 -5.846 1.00 0.00 S ATOM 0 H CYS A 47 -10.440 10.493 -9.531 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.191 9.054 -8.310 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.176 10.570 -6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.785 10.338 -7.488 1.00 0.00 H new ATOM 749 N GLN A 48 -10.940 7.490 -9.156 1.00 0.00 N ATOM 750 CA GLN A 48 -11.516 6.132 -9.291 1.00 0.00 C ATOM 751 C GLN A 48 -10.846 5.461 -10.475 1.00 0.00 C ATOM 752 O GLN A 48 -10.860 4.254 -10.616 1.00 0.00 O ATOM 753 CB GLN A 48 -13.025 6.243 -9.534 1.00 0.00 C ATOM 754 CG GLN A 48 -13.745 6.475 -8.202 1.00 0.00 C ATOM 755 CD GLN A 48 -13.776 5.170 -7.405 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.220 4.175 -7.823 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.409 5.132 -6.265 1.00 0.00 N ATOM 0 H GLN A 48 -11.481 8.235 -9.595 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.351 5.548 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.234 7.064 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.395 5.333 -10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.235 7.250 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.760 6.828 -8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.876 5.968 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.437 4.267 -5.726 1.00 0.00 H new ATOM 766 N GLU A 49 -10.247 6.241 -11.329 1.00 0.00 N ATOM 767 CA GLU A 49 -9.568 5.644 -12.496 1.00 0.00 C ATOM 768 C GLU A 49 -8.338 4.882 -12.002 1.00 0.00 C ATOM 769 O GLU A 49 -8.098 3.752 -12.385 1.00 0.00 O ATOM 770 CB GLU A 49 -9.141 6.744 -13.481 1.00 0.00 C ATOM 771 CG GLU A 49 -10.316 7.111 -14.397 1.00 0.00 C ATOM 772 CD GLU A 49 -10.049 8.464 -15.061 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.923 8.927 -14.986 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.975 9.014 -15.635 1.00 0.00 O ATOM 0 H GLU A 49 -10.201 7.258 -11.265 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.247 4.965 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.807 7.625 -12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.296 6.401 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.451 6.342 -15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.240 7.154 -13.820 1.00 0.00 H new ATOM 781 N VAL A 50 -7.555 5.486 -11.147 1.00 0.00 N ATOM 782 CA VAL A 50 -6.351 4.778 -10.639 1.00 0.00 C ATOM 783 C VAL A 50 -6.782 3.580 -9.798 1.00 0.00 C ATOM 784 O VAL A 50 -6.215 2.519 -9.903 1.00 0.00 O ATOM 785 CB VAL A 50 -5.496 5.705 -9.784 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.197 4.975 -9.432 1.00 0.00 C ATOM 787 CG2 VAL A 50 -5.180 6.982 -10.566 1.00 0.00 C ATOM 0 H VAL A 50 -7.697 6.428 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.762 4.446 -11.494 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.030 5.976 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.570 5.623 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.429 4.065 -8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.665 4.716 -10.348 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.568 7.643 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.637 6.726 -11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.109 7.487 -10.828 1.00 0.00 H new ATOM 797 N VAL A 51 -7.788 3.735 -8.971 1.00 0.00 N ATOM 798 CA VAL A 51 -8.262 2.582 -8.135 1.00 0.00 C ATOM 799 C VAL A 51 -8.360 1.346 -9.026 1.00 0.00 C ATOM 800 O VAL A 51 -7.805 0.307 -8.724 1.00 0.00 O ATOM 801 CB VAL A 51 -9.641 2.929 -7.556 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.272 1.693 -6.911 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.490 4.033 -6.501 1.00 0.00 C ATOM 0 H VAL A 51 -8.301 4.606 -8.838 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.569 2.384 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.286 3.276 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.249 1.954 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.388 0.910 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.629 1.334 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.469 4.280 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.837 3.685 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.056 4.920 -6.962 1.00 0.00 H new ATOM 813 N ASP A 52 -9.028 1.456 -10.142 1.00 0.00 N ATOM 814 CA ASP A 52 -9.114 0.292 -11.061 1.00 0.00 C ATOM 815 C ASP A 52 -7.686 -0.165 -11.359 1.00 0.00 C ATOM 816 O ASP A 52 -7.409 -1.340 -11.493 1.00 0.00 O ATOM 817 CB ASP A 52 -9.806 0.710 -12.361 1.00 0.00 C ATOM 818 CG ASP A 52 -9.955 -0.508 -13.275 1.00 0.00 C ATOM 819 OD1 ASP A 52 -8.963 -1.184 -13.496 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.058 -0.744 -13.741 1.00 0.00 O ATOM 0 H ASP A 52 -9.514 2.297 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.689 -0.515 -10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.785 1.136 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.225 1.485 -12.862 1.00 0.00 H new ATOM 825 N THR A 53 -6.771 0.770 -11.435 1.00 0.00 N ATOM 826 CA THR A 53 -5.348 0.414 -11.691 1.00 0.00 C ATOM 827 C THR A 53 -4.679 0.026 -10.368 1.00 0.00 C ATOM 828 O THR A 53 -3.695 -0.687 -10.346 1.00 0.00 O ATOM 829 CB THR A 53 -4.631 1.584 -12.373 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.260 1.847 -13.618 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.161 1.228 -12.620 1.00 0.00 C ATOM 0 H THR A 53 -6.953 1.768 -11.330 1.00 0.00 H new ATOM 0 HA THR A 53 -5.290 -0.441 -12.364 1.00 0.00 H new ATOM 0 HB THR A 53 -4.683 2.463 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.809 2.596 -14.061 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.660 2.066 -13.105 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.673 1.015 -11.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.102 0.349 -13.262 1.00 0.00 H new ATOM 839 N TYR A 54 -5.218 0.481 -9.263 1.00 0.00 N ATOM 840 CA TYR A 54 -4.642 0.142 -7.923 1.00 0.00 C ATOM 841 C TYR A 54 -5.767 -0.343 -7.010 1.00 0.00 C ATOM 842 O TYR A 54 -6.177 0.350 -6.102 1.00 0.00 O ATOM 843 CB TYR A 54 -4.014 1.380 -7.287 1.00 0.00 C ATOM 844 CG TYR A 54 -2.746 1.744 -8.013 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.827 2.230 -9.309 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.505 1.625 -7.385 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.675 2.607 -9.996 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.340 1.993 -8.068 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.424 2.488 -9.377 1.00 0.00 C ATOM 850 OH TYR A 54 0.721 2.861 -10.053 1.00 0.00 O ATOM 0 H TYR A 54 -6.043 1.080 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.882 -0.629 -8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.716 2.213 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.799 1.190 -6.235 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.790 2.317 -9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.444 1.250 -6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.746 2.990 -11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.622 1.896 -7.587 1.00 0.00 H new ATOM 0 HH TYR A 54 1.502 2.715 -9.479 1.00 0.00 H new ATOM 860 N GLY A 55 -6.278 -1.521 -7.247 1.00 0.00 N ATOM 861 CA GLY A 55 -7.385 -2.056 -6.393 1.00 0.00 C ATOM 862 C GLY A 55 -7.165 -3.545 -6.125 1.00 0.00 C ATOM 863 O GLY A 55 -6.977 -3.959 -5.007 1.00 0.00 O ATOM 0 H GLY A 55 -5.977 -2.141 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.424 -1.510 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.344 -1.905 -6.889 1.00 0.00 H new ATOM 867 N SER A 56 -7.200 -4.360 -7.139 1.00 0.00 N ATOM 868 CA SER A 56 -6.997 -5.824 -6.922 1.00 0.00 C ATOM 869 C SER A 56 -5.498 -6.132 -6.849 1.00 0.00 C ATOM 870 O SER A 56 -5.087 -7.171 -6.371 1.00 0.00 O ATOM 871 CB SER A 56 -7.619 -6.593 -8.089 1.00 0.00 C ATOM 872 OG SER A 56 -6.635 -6.808 -9.093 1.00 0.00 O ATOM 0 H SER A 56 -7.360 -4.081 -8.107 1.00 0.00 H new ATOM 0 HA SER A 56 -7.471 -6.124 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.013 -7.548 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.458 -6.033 -8.501 1.00 0.00 H new ATOM 0 HG SER A 56 -7.033 -7.302 -9.840 1.00 0.00 H new ATOM 878 N SER A 57 -4.679 -5.229 -7.317 1.00 0.00 N ATOM 879 CA SER A 57 -3.202 -5.451 -7.282 1.00 0.00 C ATOM 880 C SER A 57 -2.648 -4.846 -6.001 1.00 0.00 C ATOM 881 O SER A 57 -2.296 -5.557 -5.088 1.00 0.00 O ATOM 882 CB SER A 57 -2.538 -4.776 -8.484 1.00 0.00 C ATOM 883 OG SER A 57 -2.891 -5.475 -9.671 1.00 0.00 O ATOM 0 H SER A 57 -4.970 -4.341 -7.725 1.00 0.00 H new ATOM 0 HA SER A 57 -2.996 -6.521 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.856 -3.736 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.455 -4.771 -8.360 1.00 0.00 H new ATOM 0 HG SER A 57 -2.468 -5.044 -10.443 1.00 0.00 H new ATOM 889 N ILE A 58 -2.590 -3.532 -5.934 1.00 0.00 N ATOM 890 CA ILE A 58 -2.075 -2.818 -4.713 1.00 0.00 C ATOM 891 C ILE A 58 -2.276 -3.682 -3.473 1.00 0.00 C ATOM 892 O ILE A 58 -1.400 -3.827 -2.645 1.00 0.00 O ATOM 893 CB ILE A 58 -2.863 -1.515 -4.561 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.330 -0.694 -3.371 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.347 -1.820 -4.340 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.325 0.431 -3.041 1.00 0.00 C ATOM 0 H ILE A 58 -2.884 -2.912 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.010 -2.614 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.742 -0.935 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.192 -1.339 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.355 -0.272 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.898 -0.886 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.735 -2.375 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.465 -2.417 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.950 1.013 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.441 1.081 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.291 -0.002 -2.781 1.00 0.00 H new ATOM 908 N LEU A 59 -3.430 -4.263 -3.352 1.00 0.00 N ATOM 909 CA LEU A 59 -3.693 -5.133 -2.171 1.00 0.00 C ATOM 910 C LEU A 59 -3.031 -6.501 -2.384 1.00 0.00 C ATOM 911 O LEU A 59 -2.307 -6.983 -1.542 1.00 0.00 O ATOM 912 CB LEU A 59 -5.200 -5.380 -1.958 1.00 0.00 C ATOM 913 CG LEU A 59 -6.001 -4.115 -2.214 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.486 -4.464 -2.277 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.743 -3.096 -1.097 1.00 0.00 C ATOM 0 H LEU A 59 -4.202 -4.177 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.287 -4.619 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.540 -6.171 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.375 -5.725 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.694 -3.675 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.065 -3.559 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.659 -5.175 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.796 -4.907 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.321 -2.192 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.042 -3.522 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.682 -2.849 -1.068 1.00 0.00 H new ATOM 927 N SER A 60 -3.322 -7.141 -3.494 1.00 0.00 N ATOM 928 CA SER A 60 -2.765 -8.509 -3.758 1.00 0.00 C ATOM 929 C SER A 60 -1.301 -8.453 -4.206 1.00 0.00 C ATOM 930 O SER A 60 -0.708 -9.467 -4.519 1.00 0.00 O ATOM 931 CB SER A 60 -3.594 -9.178 -4.855 1.00 0.00 C ATOM 932 OG SER A 60 -3.281 -10.563 -4.902 1.00 0.00 O ATOM 0 H SER A 60 -3.924 -6.773 -4.231 1.00 0.00 H new ATOM 0 HA SER A 60 -2.812 -9.078 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.657 -9.040 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.385 -8.713 -5.819 1.00 0.00 H new ATOM 0 HG SER A 60 -2.319 -10.686 -4.761 1.00 0.00 H new ATOM 938 N ILE A 61 -0.722 -7.289 -4.274 1.00 0.00 N ATOM 939 CA ILE A 61 0.694 -7.170 -4.743 1.00 0.00 C ATOM 940 C ILE A 61 1.656 -7.133 -3.545 1.00 0.00 C ATOM 941 O ILE A 61 2.533 -7.963 -3.430 1.00 0.00 O ATOM 942 CB ILE A 61 0.778 -5.897 -5.628 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.813 -6.065 -6.753 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.093 -4.640 -4.816 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.238 -6.026 -6.207 1.00 0.00 C ATOM 0 H ILE A 61 -1.168 -6.406 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 61 0.995 -8.035 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.210 -5.769 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.644 -7.011 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.682 -5.274 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.141 -3.779 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.311 -4.481 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.052 -4.763 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.945 -6.147 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.413 -5.069 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.374 -6.834 -5.488 1.00 0.00 H new ATOM 957 N LEU A 62 1.505 -6.195 -2.661 1.00 0.00 N ATOM 958 CA LEU A 62 2.423 -6.112 -1.486 1.00 0.00 C ATOM 959 C LEU A 62 2.368 -7.397 -0.659 1.00 0.00 C ATOM 960 O LEU A 62 2.985 -7.493 0.383 1.00 0.00 O ATOM 961 CB LEU A 62 2.042 -4.913 -0.618 1.00 0.00 C ATOM 962 CG LEU A 62 2.207 -3.626 -1.437 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.694 -2.436 -0.622 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.681 -3.409 -1.821 1.00 0.00 C ATOM 0 H LEU A 62 0.783 -5.475 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 62 3.442 -5.986 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.012 -5.010 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.673 -4.877 0.270 1.00 0.00 H new ATOM 0 HG LEU A 62 1.627 -3.716 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.810 -1.521 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.640 -2.584 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.266 -2.355 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.774 -2.491 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.285 -3.330 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.030 -4.252 -2.417 1.00 0.00 H new ATOM 976 N LEU A 63 1.626 -8.385 -1.099 1.00 0.00 N ATOM 977 CA LEU A 63 1.530 -9.656 -0.313 1.00 0.00 C ATOM 978 C LEU A 63 2.500 -10.716 -0.858 1.00 0.00 C ATOM 979 O LEU A 63 3.196 -11.363 -0.102 1.00 0.00 O ATOM 980 CB LEU A 63 0.097 -10.221 -0.393 1.00 0.00 C ATOM 981 CG LEU A 63 -0.937 -9.108 -0.625 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.336 -9.690 -0.373 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.693 -7.899 0.313 1.00 0.00 C ATOM 0 H LEU A 63 1.085 -8.367 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 63 1.789 -9.426 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.037 -10.949 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.138 -10.750 0.530 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.847 -8.748 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.086 -8.916 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.516 -10.516 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.400 -10.052 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.443 -7.132 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.764 -8.224 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.300 -7.490 0.128 1.00 0.00 H new ATOM 995 N GLU A 64 2.510 -10.941 -2.156 1.00 0.00 N ATOM 996 CA GLU A 64 3.395 -12.017 -2.727 1.00 0.00 C ATOM 997 C GLU A 64 4.233 -11.505 -3.888 1.00 0.00 C ATOM 998 O GLU A 64 5.444 -11.596 -3.864 1.00 0.00 O ATOM 999 CB GLU A 64 2.513 -13.148 -3.240 1.00 0.00 C ATOM 1000 CG GLU A 64 1.761 -13.786 -2.070 1.00 0.00 C ATOM 1001 CD GLU A 64 2.747 -14.547 -1.182 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.424 -15.421 -1.696 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.807 -14.243 -0.002 1.00 0.00 O ATOM 0 H GLU A 64 1.950 -10.432 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 64 4.068 -12.355 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.805 -12.765 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.123 -13.897 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.251 -13.017 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.994 -14.464 -2.444 1.00 0.00 H new ATOM 1010 N GLU A 65 3.624 -10.966 -4.909 1.00 0.00 N ATOM 1011 CA GLU A 65 4.435 -10.458 -6.054 1.00 0.00 C ATOM 1012 C GLU A 65 5.518 -9.546 -5.494 1.00 0.00 C ATOM 1013 O GLU A 65 6.454 -9.157 -6.164 1.00 0.00 O ATOM 1014 CB GLU A 65 3.538 -9.683 -7.023 1.00 0.00 C ATOM 1015 CG GLU A 65 2.330 -10.541 -7.393 1.00 0.00 C ATOM 1016 CD GLU A 65 2.802 -11.816 -8.093 1.00 0.00 C ATOM 1017 OE1 GLU A 65 3.242 -11.717 -9.227 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.718 -12.870 -7.484 1.00 0.00 O ATOM 0 H GLU A 65 2.614 -10.856 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 65 4.888 -11.287 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.209 -8.751 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.097 -9.417 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.763 -10.794 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.660 -9.982 -8.046 1.00 0.00 H new ATOM 1025 N VAL A 66 5.365 -9.212 -4.252 1.00 0.00 N ATOM 1026 CA VAL A 66 6.321 -8.329 -3.554 1.00 0.00 C ATOM 1027 C VAL A 66 6.497 -8.829 -2.111 1.00 0.00 C ATOM 1028 O VAL A 66 5.542 -9.177 -1.445 1.00 0.00 O ATOM 1029 CB VAL A 66 5.693 -6.935 -3.578 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.133 -6.085 -2.392 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.052 -6.247 -4.883 1.00 0.00 C ATOM 0 H VAL A 66 4.587 -9.527 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 66 7.305 -8.317 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 66 4.612 -7.050 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.661 -5.104 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.836 -6.574 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.217 -5.968 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.606 -5.253 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.136 -6.161 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.672 -6.833 -5.720 1.00 0.00 H new ATOM 1041 N SER A 67 7.707 -8.845 -1.616 1.00 0.00 N ATOM 1042 CA SER A 67 7.935 -9.296 -0.206 1.00 0.00 C ATOM 1043 C SER A 67 7.784 -8.067 0.704 1.00 0.00 C ATOM 1044 O SER A 67 7.866 -6.959 0.222 1.00 0.00 O ATOM 1045 CB SER A 67 9.353 -9.887 -0.075 1.00 0.00 C ATOM 1046 OG SER A 67 10.031 -9.282 1.021 1.00 0.00 O ATOM 0 H SER A 67 8.547 -8.567 -2.124 1.00 0.00 H new ATOM 0 HA SER A 67 7.217 -10.066 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.295 -10.965 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.912 -9.721 -0.996 1.00 0.00 H new ATOM 0 HG SER A 67 10.931 -9.663 1.100 1.00 0.00 H new ATOM 1052 N PRO A 68 7.565 -8.277 1.987 1.00 0.00 N ATOM 1053 CA PRO A 68 7.401 -7.153 2.932 1.00 0.00 C ATOM 1054 C PRO A 68 8.679 -6.287 2.962 1.00 0.00 C ATOM 1055 O PRO A 68 8.628 -5.070 2.874 1.00 0.00 O ATOM 1056 CB PRO A 68 7.136 -7.825 4.298 1.00 0.00 C ATOM 1057 CG PRO A 68 7.364 -9.353 4.114 1.00 0.00 C ATOM 1058 CD PRO A 68 7.466 -9.620 2.597 1.00 0.00 C ATOM 0 HA PRO A 68 6.589 -6.481 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.806 -7.425 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.118 -7.626 4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.274 -9.670 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.541 -9.920 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.339 -10.228 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.592 -10.159 2.230 1.00 0.00 H new ATOM 1066 N GLU A 69 9.820 -6.905 3.090 1.00 0.00 N ATOM 1067 CA GLU A 69 11.089 -6.124 3.129 1.00 0.00 C ATOM 1068 C GLU A 69 11.255 -5.342 1.823 1.00 0.00 C ATOM 1069 O GLU A 69 11.689 -4.206 1.817 1.00 0.00 O ATOM 1070 CB GLU A 69 12.270 -7.082 3.304 1.00 0.00 C ATOM 1071 CG GLU A 69 13.550 -6.278 3.544 1.00 0.00 C ATOM 1072 CD GLU A 69 14.695 -7.235 3.885 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.737 -8.307 3.307 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.511 -6.877 4.720 1.00 0.00 O ATOM 0 H GLU A 69 9.929 -7.916 3.169 1.00 0.00 H new ATOM 0 HA GLU A 69 11.058 -5.425 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.086 -7.752 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.381 -7.705 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.799 -5.697 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.400 -5.569 4.358 1.00 0.00 H new ATOM 1081 N LEU A 70 10.911 -5.936 0.714 1.00 0.00 N ATOM 1082 CA LEU A 70 11.050 -5.220 -0.578 1.00 0.00 C ATOM 1083 C LEU A 70 10.308 -3.886 -0.489 1.00 0.00 C ATOM 1084 O LEU A 70 10.835 -2.850 -0.843 1.00 0.00 O ATOM 1085 CB LEU A 70 10.454 -6.088 -1.697 1.00 0.00 C ATOM 1086 CG LEU A 70 10.306 -5.280 -2.991 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.666 -4.713 -3.404 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.779 -6.192 -4.101 1.00 0.00 C ATOM 0 H LEU A 70 10.541 -6.884 0.650 1.00 0.00 H new ATOM 0 HA LEU A 70 12.101 -5.030 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.094 -6.952 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.481 -6.470 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 70 9.607 -4.460 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.557 -4.139 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.045 -4.064 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.367 -5.532 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.673 -5.620 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.479 -7.012 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.809 -6.595 -3.811 1.00 0.00 H new ATOM 1100 N VAL A 71 9.084 -3.904 -0.025 1.00 0.00 N ATOM 1101 CA VAL A 71 8.304 -2.635 0.080 1.00 0.00 C ATOM 1102 C VAL A 71 9.181 -1.557 0.705 1.00 0.00 C ATOM 1103 O VAL A 71 9.339 -0.485 0.157 1.00 0.00 O ATOM 1104 CB VAL A 71 7.057 -2.866 0.943 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.001 -1.804 0.633 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.492 -4.246 0.634 1.00 0.00 C ATOM 0 H VAL A 71 8.592 -4.742 0.285 1.00 0.00 H new ATOM 0 HA VAL A 71 7.990 -2.313 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 71 7.328 -2.799 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.119 -1.976 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.406 -0.815 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.724 -1.863 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.605 -4.420 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.225 -4.302 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.241 -5.005 0.859 1.00 0.00 H new ATOM 1116 N CYS A 72 9.771 -1.832 1.840 1.00 0.00 N ATOM 1117 CA CYS A 72 10.658 -0.808 2.474 1.00 0.00 C ATOM 1118 C CYS A 72 11.604 -0.255 1.407 1.00 0.00 C ATOM 1119 O CYS A 72 11.961 0.907 1.417 1.00 0.00 O ATOM 1120 CB CYS A 72 11.477 -1.437 3.595 1.00 0.00 C ATOM 1121 SG CYS A 72 10.418 -1.756 5.026 1.00 0.00 S ATOM 0 H CYS A 72 9.680 -2.710 2.351 1.00 0.00 H new ATOM 0 HA CYS A 72 10.047 -0.009 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.927 -2.368 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.294 -0.773 3.877 1.00 0.00 H new ATOM 1126 N SER A 73 11.995 -1.079 0.472 1.00 0.00 N ATOM 1127 CA SER A 73 12.895 -0.598 -0.610 1.00 0.00 C ATOM 1128 C SER A 73 12.088 0.323 -1.533 1.00 0.00 C ATOM 1129 O SER A 73 12.409 1.482 -1.699 1.00 0.00 O ATOM 1130 CB SER A 73 13.453 -1.798 -1.398 1.00 0.00 C ATOM 1131 OG SER A 73 13.243 -2.986 -0.645 1.00 0.00 O ATOM 0 H SER A 73 11.730 -2.062 0.413 1.00 0.00 H new ATOM 0 HA SER A 73 13.737 -0.049 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.959 -1.874 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.516 -1.659 -1.592 1.00 0.00 H new ATOM 0 HG SER A 73 13.851 -3.686 -0.962 1.00 0.00 H new ATOM 1137 N MET A 74 11.033 -0.181 -2.128 1.00 0.00 N ATOM 1138 CA MET A 74 10.212 0.687 -3.023 1.00 0.00 C ATOM 1139 C MET A 74 9.884 1.987 -2.287 1.00 0.00 C ATOM 1140 O MET A 74 9.951 3.065 -2.844 1.00 0.00 O ATOM 1141 CB MET A 74 8.904 -0.020 -3.383 1.00 0.00 C ATOM 1142 CG MET A 74 9.193 -1.417 -3.942 1.00 0.00 C ATOM 1143 SD MET A 74 7.765 -1.989 -4.899 1.00 0.00 S ATOM 1144 CE MET A 74 6.811 -2.680 -3.522 1.00 0.00 C ATOM 0 H MET A 74 10.710 -1.144 -2.033 1.00 0.00 H new ATOM 0 HA MET A 74 10.772 0.896 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.270 -0.098 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.355 0.568 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.081 -1.392 -4.573 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.401 -2.111 -3.127 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.875 -3.093 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.388 -3.469 -3.039 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.595 -1.894 -2.798 1.00 0.00 H new