USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 422 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 96 CYS SG : rot 120:sc= 0.47 USER MOD Set 1.2: A 105 CYS SG : rot 146:sc= 0.512 USER MOD Set 1.3: A 107 ASN : amide:sc= -0.077 K(o=-3.3,f=-4.9!) USER MOD Set 1.4: A 110 CYS SG : rot 141:sc= 0.245 USER MOD Set 1.5: A 114 HIS : no HD1:sc= -4.41! C(o=-3.3!,f=-6.2!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= -0.178 USER MOD Set 2.2: A 93 MET CE :methyl -160:sc= -0.611 (180deg=-1.9!) USER MOD Set 3.1: A 68 CYS SG : rot 126:sc= 1.21 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.312 K(o=0.97,f=-1.5) USER MOD Set 3.3: A 76 CYS SG : rot 148:sc= 0.0405 USER MOD Set 3.4: A 82 CYS SG : rot -140:sc= 0.968 USER MOD Set 3.5: A 86 HIS : no HD1:sc= -0.935 K(o=0.97,f=-0.52) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.0181 (180deg=-0.22) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0828) USER MOD Single : A 81 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.5!) USER MOD Single : A 90 MET CE :methyl 179:sc= -4.57! (180deg=-4.67!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -96:sc= 0.0163 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0.84 (180deg=0.831) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 63 -10.158 2.367 3.716 1.00 0.00 N ATOM 67 CA GLU A 63 -10.860 1.496 2.782 1.00 0.00 C ATOM 68 C GLU A 63 -10.519 0.031 3.041 1.00 0.00 C ATOM 69 O GLU A 63 -9.770 -0.290 3.964 1.00 0.00 O ATOM 70 CB GLU A 63 -10.505 1.866 1.340 1.00 0.00 C ATOM 71 CG GLU A 63 -9.013 2.024 1.102 1.00 0.00 C ATOM 72 CD GLU A 63 -8.682 2.334 -0.345 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.399 3.156 -0.953 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.708 1.754 -0.869 1.00 0.00 O ATOM 0 HA GLU A 63 -11.931 1.634 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.892 1.097 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.007 2.798 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.630 2.823 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.503 1.108 1.399 1.00 0.00 H new ATOM 81 N LYS A 64 -11.075 -0.854 2.221 1.00 0.00 N ATOM 82 CA LYS A 64 -10.831 -2.285 2.359 1.00 0.00 C ATOM 83 C LYS A 64 -9.525 -2.682 1.678 1.00 0.00 C ATOM 84 O LYS A 64 -9.286 -3.860 1.411 1.00 0.00 O ATOM 85 CB LYS A 64 -11.993 -3.081 1.762 1.00 0.00 C ATOM 86 CG LYS A 64 -13.360 -2.532 2.131 1.00 0.00 C ATOM 87 CD LYS A 64 -14.467 -3.214 1.343 1.00 0.00 C ATOM 88 CE LYS A 64 -14.637 -4.666 1.763 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.445 -5.437 0.778 1.00 0.00 N ATOM 0 H LYS A 64 -11.698 -0.605 1.453 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.750 -2.514 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.896 -3.091 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.924 -4.116 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.533 -2.671 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.385 -1.459 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.405 -2.679 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.239 -3.166 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.657 -5.130 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.119 -4.708 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.538 -6.421 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.389 -5.010 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.973 -5.419 -0.148 1.00 0.00 H new ATOM 103 N THR A 65 -8.683 -1.692 1.401 1.00 0.00 N ATOM 104 CA THR A 65 -7.401 -1.939 0.752 1.00 0.00 C ATOM 105 C THR A 65 -6.763 -3.224 1.266 1.00 0.00 C ATOM 106 O THR A 65 -6.133 -3.963 0.508 1.00 0.00 O ATOM 107 CB THR A 65 -6.424 -0.769 0.975 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.116 -1.130 0.518 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.366 -0.386 2.446 1.00 0.00 C ATOM 0 H THR A 65 -8.865 -0.712 1.616 1.00 0.00 H new ATOM 0 HA THR A 65 -7.601 -2.038 -0.315 1.00 0.00 H new ATOM 0 HB THR A 65 -6.783 0.089 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.501 -0.381 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.670 0.442 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.358 -0.084 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.029 -1.241 3.032 1.00 0.00 H new ATOM 117 N VAL A 66 -6.930 -3.487 2.558 1.00 0.00 N ATOM 118 CA VAL A 66 -6.371 -4.685 3.173 1.00 0.00 C ATOM 119 C VAL A 66 -7.376 -5.831 3.156 1.00 0.00 C ATOM 120 O VAL A 66 -8.581 -5.617 3.294 1.00 0.00 O ATOM 121 CB VAL A 66 -5.937 -4.419 4.627 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.633 -5.727 5.341 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.733 -3.491 4.661 1.00 0.00 C ATOM 0 H VAL A 66 -7.448 -2.886 3.199 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.496 -4.964 2.586 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.759 -3.930 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.328 -5.519 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.525 -6.354 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.828 -6.247 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.440 -3.314 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.904 -3.950 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.991 -2.543 4.189 1.00 0.00 H new ATOM 133 N VAL A 67 -6.873 -7.050 2.986 1.00 0.00 N ATOM 134 CA VAL A 67 -7.727 -8.232 2.952 1.00 0.00 C ATOM 135 C VAL A 67 -7.940 -8.796 4.353 1.00 0.00 C ATOM 136 O VAL A 67 -6.982 -9.102 5.063 1.00 0.00 O ATOM 137 CB VAL A 67 -7.129 -9.330 2.054 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.767 -10.677 2.360 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.301 -8.970 0.586 1.00 0.00 C ATOM 0 H VAL A 67 -5.879 -7.245 2.870 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.686 -7.918 2.540 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.062 -9.405 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.332 -11.441 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.586 -10.937 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.841 -10.620 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.873 -9.757 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.362 -8.866 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.792 -8.028 0.380 1.00 0.00 H new ATOM 149 N CYS A 68 -9.202 -8.930 4.744 1.00 0.00 N ATOM 150 CA CYS A 68 -9.543 -9.457 6.060 1.00 0.00 C ATOM 151 C CYS A 68 -8.651 -10.642 6.419 1.00 0.00 C ATOM 152 O CYS A 68 -8.389 -11.512 5.588 1.00 0.00 O ATOM 153 CB CYS A 68 -11.013 -9.882 6.097 1.00 0.00 C ATOM 154 SG CYS A 68 -11.651 -10.207 7.773 1.00 0.00 S ATOM 0 H CYS A 68 -10.006 -8.681 4.168 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.381 -8.667 6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.618 -9.102 5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.136 -10.781 5.492 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.718 -9.494 7.977 1.00 0.00 H new ATOM 159 N LYS A 69 -8.186 -10.669 7.664 1.00 0.00 N ATOM 160 CA LYS A 69 -7.324 -11.746 8.136 1.00 0.00 C ATOM 161 C LYS A 69 -8.152 -12.905 8.682 1.00 0.00 C ATOM 162 O LYS A 69 -7.678 -14.040 8.753 1.00 0.00 O ATOM 163 CB LYS A 69 -6.374 -11.230 9.218 1.00 0.00 C ATOM 164 CG LYS A 69 -7.059 -10.940 10.542 1.00 0.00 C ATOM 165 CD LYS A 69 -6.186 -10.087 11.448 1.00 0.00 C ATOM 166 CE LYS A 69 -6.260 -8.616 11.069 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.465 -7.764 11.996 1.00 0.00 N ATOM 0 H LYS A 69 -8.392 -9.957 8.364 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.739 -12.107 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.587 -11.966 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.891 -10.320 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.004 -10.428 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.296 -11.879 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.502 -10.213 12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.153 -10.428 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.894 -8.484 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.300 -8.290 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.541 -6.769 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.830 -7.870 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.468 -8.058 11.968 1.00 0.00 H new ATOM 181 N HIS A 70 -9.390 -12.613 9.067 1.00 0.00 N ATOM 182 CA HIS A 70 -10.284 -13.632 9.605 1.00 0.00 C ATOM 183 C HIS A 70 -10.855 -14.499 8.487 1.00 0.00 C ATOM 184 O HIS A 70 -10.777 -15.726 8.539 1.00 0.00 O ATOM 185 CB HIS A 70 -11.421 -12.979 10.392 1.00 0.00 C ATOM 186 CG HIS A 70 -10.952 -11.988 11.412 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.436 -10.753 11.079 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.924 -12.054 12.763 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.109 -10.103 12.182 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.396 -10.870 13.218 1.00 0.00 N ATOM 0 H HIS A 70 -9.797 -11.679 9.016 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.707 -14.269 10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.094 -12.480 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.999 -13.756 10.892 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.255 -12.883 13.371 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.680 -9.113 12.228 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.250 -10.623 14.197 1.00 0.00 H new ATOM 198 N TRP A 71 -11.430 -13.853 7.480 1.00 0.00 N ATOM 199 CA TRP A 71 -12.016 -14.565 6.350 1.00 0.00 C ATOM 200 C TRP A 71 -10.995 -15.497 5.706 1.00 0.00 C ATOM 201 O TRP A 71 -11.332 -16.601 5.276 1.00 0.00 O ATOM 202 CB TRP A 71 -12.543 -13.573 5.313 1.00 0.00 C ATOM 203 CG TRP A 71 -12.656 -14.155 3.936 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.686 -14.906 3.445 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.702 -14.037 2.875 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.430 -15.261 2.143 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.220 -14.740 1.769 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.462 -13.404 2.750 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.539 -14.826 0.558 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.788 -13.492 1.548 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.327 -14.197 0.464 1.00 0.00 C ATOM 0 H TRP A 71 -11.503 -12.837 7.422 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.846 -15.166 6.722 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.522 -13.214 5.629 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.882 -12.707 5.280 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.572 -15.180 3.999 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.042 -15.822 1.551 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.039 -12.856 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.953 -15.370 -0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.828 -13.009 1.442 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.776 -14.245 -0.463 1.00 0.00 H new ATOM 222 N LEU A 72 -9.747 -15.048 5.643 1.00 0.00 N ATOM 223 CA LEU A 72 -8.676 -15.843 5.052 1.00 0.00 C ATOM 224 C LEU A 72 -8.650 -17.248 5.644 1.00 0.00 C ATOM 225 O LEU A 72 -8.519 -18.235 4.920 1.00 0.00 O ATOM 226 CB LEU A 72 -7.325 -15.159 5.273 1.00 0.00 C ATOM 227 CG LEU A 72 -7.032 -13.949 4.385 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.852 -13.160 4.930 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.766 -14.390 2.953 1.00 0.00 C ATOM 0 H LEU A 72 -9.451 -14.137 5.994 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.865 -15.923 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.267 -14.843 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.537 -15.897 5.119 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.908 -13.300 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.658 -12.303 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.081 -12.812 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.969 -13.799 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.559 -13.516 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.907 -15.060 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.641 -14.910 2.564 1.00 0.00 H new ATOM 241 N ARG A 73 -8.778 -17.331 6.965 1.00 0.00 N ATOM 242 CA ARG A 73 -8.771 -18.615 7.654 1.00 0.00 C ATOM 243 C ARG A 73 -10.193 -19.080 7.953 1.00 0.00 C ATOM 244 O ARG A 73 -10.407 -19.959 8.786 1.00 0.00 O ATOM 245 CB ARG A 73 -7.971 -18.515 8.955 1.00 0.00 C ATOM 246 CG ARG A 73 -6.467 -18.470 8.743 1.00 0.00 C ATOM 247 CD ARG A 73 -5.858 -19.863 8.777 1.00 0.00 C ATOM 248 NE ARG A 73 -4.600 -19.929 8.038 1.00 0.00 N ATOM 249 CZ ARG A 73 -4.529 -20.010 6.714 1.00 0.00 C ATOM 250 NH1 ARG A 73 -5.638 -20.034 5.987 1.00 0.00 N ATOM 251 NH2 ARG A 73 -3.347 -20.065 6.113 1.00 0.00 N ATOM 0 H ARG A 73 -8.888 -16.524 7.579 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.298 -19.347 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.280 -17.619 9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.215 -19.368 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.247 -17.999 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.008 -17.852 9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.686 -20.158 9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.564 -20.578 8.355 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.728 -19.912 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.549 -19.990 6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.580 -20.096 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.491 -20.045 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.294 -20.127 5.096 1.00 0.00 H new ATOM 265 N GLY A 74 -11.162 -18.482 7.266 1.00 0.00 N ATOM 266 CA GLY A 74 -12.552 -18.848 7.473 1.00 0.00 C ATOM 267 C GLY A 74 -13.000 -18.636 8.905 1.00 0.00 C ATOM 268 O GLY A 74 -13.566 -19.537 9.526 1.00 0.00 O ATOM 0 H GLY A 74 -11.010 -17.751 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.183 -18.259 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.693 -19.894 7.203 1.00 0.00 H new ATOM 272 N LEU A 75 -12.746 -17.444 9.433 1.00 0.00 N ATOM 273 CA LEU A 75 -13.126 -17.116 10.803 1.00 0.00 C ATOM 274 C LEU A 75 -13.922 -15.816 10.851 1.00 0.00 C ATOM 275 O LEU A 75 -13.952 -15.132 11.874 1.00 0.00 O ATOM 276 CB LEU A 75 -11.881 -16.998 11.684 1.00 0.00 C ATOM 277 CG LEU A 75 -10.936 -18.201 11.675 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.503 -17.755 11.921 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.365 -19.224 12.717 1.00 0.00 C ATOM 0 H LEU A 75 -12.278 -16.688 8.933 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.757 -17.921 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.320 -16.118 11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.202 -16.821 12.711 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.985 -18.671 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.845 -18.624 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.199 -17.060 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.437 -17.261 12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.682 -20.073 12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.345 -18.766 13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.376 -19.567 12.496 1.00 0.00 H new ATOM 291 N CYS A 76 -14.568 -15.482 9.739 1.00 0.00 N ATOM 292 CA CYS A 76 -15.367 -14.266 9.654 1.00 0.00 C ATOM 293 C CYS A 76 -16.792 -14.580 9.207 1.00 0.00 C ATOM 294 O CYS A 76 -17.017 -15.484 8.402 1.00 0.00 O ATOM 295 CB CYS A 76 -14.723 -13.275 8.682 1.00 0.00 C ATOM 296 SG CYS A 76 -15.129 -11.532 9.020 1.00 0.00 S ATOM 0 H CYS A 76 -14.554 -16.037 8.884 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.407 -13.818 10.647 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.641 -13.398 8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.038 -13.520 7.668 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.126 -10.779 8.678 1.00 0.00 H new ATOM 301 N LYS A 77 -17.751 -13.828 9.736 1.00 0.00 N ATOM 302 CA LYS A 77 -19.154 -14.024 9.392 1.00 0.00 C ATOM 303 C LYS A 77 -19.810 -12.702 9.008 1.00 0.00 C ATOM 304 O LYS A 77 -21.009 -12.509 9.211 1.00 0.00 O ATOM 305 CB LYS A 77 -19.905 -14.656 10.567 1.00 0.00 C ATOM 306 CG LYS A 77 -20.957 -15.667 10.143 1.00 0.00 C ATOM 307 CD LYS A 77 -22.317 -15.015 9.963 1.00 0.00 C ATOM 308 CE LYS A 77 -23.385 -16.040 9.617 1.00 0.00 C ATOM 309 NZ LYS A 77 -23.626 -16.991 10.738 1.00 0.00 N ATOM 0 H LYS A 77 -17.582 -13.077 10.405 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.202 -14.695 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.187 -15.145 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.384 -13.868 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.653 -16.140 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.027 -16.456 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.595 -14.493 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.261 -14.266 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.314 -15.527 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.082 -16.595 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.507 -17.515 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.832 -17.660 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.707 -16.463 11.630 1.00 0.00 H new ATOM 323 N LYS A 78 -19.017 -11.793 8.450 1.00 0.00 N ATOM 324 CA LYS A 78 -19.520 -10.490 8.034 1.00 0.00 C ATOM 325 C LYS A 78 -19.716 -10.439 6.522 1.00 0.00 C ATOM 326 O LYS A 78 -20.699 -9.884 6.031 1.00 0.00 O ATOM 327 CB LYS A 78 -18.556 -9.385 8.471 1.00 0.00 C ATOM 328 CG LYS A 78 -18.305 -9.354 9.969 1.00 0.00 C ATOM 329 CD LYS A 78 -17.467 -8.152 10.369 1.00 0.00 C ATOM 330 CE LYS A 78 -18.324 -6.906 10.535 1.00 0.00 C ATOM 331 NZ LYS A 78 -17.494 -5.679 10.688 1.00 0.00 N ATOM 0 H LYS A 78 -18.022 -11.936 8.276 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.486 -10.332 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.605 -9.518 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.956 -8.421 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.258 -9.327 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.798 -10.270 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.947 -8.364 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.703 -7.972 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.978 -6.797 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.967 -7.021 11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.047 -4.944 11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.647 -5.901 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.207 -5.334 9.749 1.00 0.00 H new ATOM 345 N GLY A 79 -18.774 -11.023 5.787 1.00 0.00 N ATOM 346 CA GLY A 79 -18.863 -11.034 4.339 1.00 0.00 C ATOM 347 C GLY A 79 -18.910 -9.638 3.750 1.00 0.00 C ATOM 348 O GLY A 79 -17.876 -8.987 3.597 1.00 0.00 O ATOM 0 H GLY A 79 -17.951 -11.489 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.006 -11.569 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.755 -11.583 4.037 1.00 0.00 H new ATOM 352 N ASP A 80 -20.111 -9.178 3.418 1.00 0.00 N ATOM 353 CA ASP A 80 -20.288 -7.850 2.842 1.00 0.00 C ATOM 354 C ASP A 80 -20.394 -6.793 3.937 1.00 0.00 C ATOM 355 O ASP A 80 -20.477 -5.598 3.652 1.00 0.00 O ATOM 356 CB ASP A 80 -21.538 -7.817 1.961 1.00 0.00 C ATOM 357 CG ASP A 80 -21.443 -8.769 0.785 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.491 -8.636 -0.012 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.321 -9.649 0.663 1.00 0.00 O ATOM 0 H ASP A 80 -20.976 -9.705 3.538 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.415 -7.626 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.410 -8.073 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.692 -6.803 1.592 1.00 0.00 H new ATOM 364 N GLN A 81 -20.392 -7.241 5.188 1.00 0.00 N ATOM 365 CA GLN A 81 -20.489 -6.333 6.325 1.00 0.00 C ATOM 366 C GLN A 81 -19.108 -6.015 6.887 1.00 0.00 C ATOM 367 O GLN A 81 -18.933 -5.040 7.619 1.00 0.00 O ATOM 368 CB GLN A 81 -21.370 -6.942 7.417 1.00 0.00 C ATOM 369 CG GLN A 81 -22.623 -7.617 6.883 1.00 0.00 C ATOM 370 CD GLN A 81 -23.817 -6.684 6.847 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.752 -5.554 7.331 1.00 0.00 O ATOM 372 NE2 GLN A 81 -24.918 -7.153 6.270 1.00 0.00 N ATOM 0 H GLN A 81 -20.324 -8.227 5.440 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.942 -5.404 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.786 -7.671 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.660 -6.159 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.429 -7.992 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.860 -8.480 7.505 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -24.928 -8.096 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -25.753 -6.570 6.215 1.00 0.00 H new ATOM 381 N CYS A 82 -18.128 -6.843 6.541 1.00 0.00 N ATOM 382 CA CYS A 82 -16.762 -6.651 7.011 1.00 0.00 C ATOM 383 C CYS A 82 -16.208 -5.309 6.541 1.00 0.00 C ATOM 384 O CYS A 82 -16.777 -4.666 5.659 1.00 0.00 O ATOM 385 CB CYS A 82 -15.865 -7.787 6.515 1.00 0.00 C ATOM 386 SG CYS A 82 -14.299 -7.953 7.431 1.00 0.00 S ATOM 0 H CYS A 82 -18.255 -7.654 5.936 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.776 -6.657 8.101 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.415 -8.726 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.641 -7.625 5.461 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.337 -8.225 6.600 1.00 0.00 H new ATOM 391 N GLU A 83 -15.094 -4.893 7.136 1.00 0.00 N ATOM 392 CA GLU A 83 -14.465 -3.628 6.779 1.00 0.00 C ATOM 393 C GLU A 83 -13.237 -3.859 5.902 1.00 0.00 C ATOM 394 O GLU A 83 -12.596 -2.911 5.450 1.00 0.00 O ATOM 395 CB GLU A 83 -14.066 -2.856 8.039 1.00 0.00 C ATOM 396 CG GLU A 83 -13.556 -3.745 9.160 1.00 0.00 C ATOM 397 CD GLU A 83 -12.611 -3.018 10.097 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.918 -2.087 9.635 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.565 -3.378 11.292 1.00 0.00 O ATOM 0 H GLU A 83 -14.609 -5.414 7.867 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.189 -3.040 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.294 -2.131 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.927 -2.291 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.403 -4.128 9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.045 -4.607 8.731 1.00 0.00 H new ATOM 406 N PHE A 84 -12.917 -5.127 5.666 1.00 0.00 N ATOM 407 CA PHE A 84 -11.766 -5.485 4.845 1.00 0.00 C ATOM 408 C PHE A 84 -12.198 -6.301 3.629 1.00 0.00 C ATOM 409 O PHE A 84 -13.326 -6.790 3.565 1.00 0.00 O ATOM 410 CB PHE A 84 -10.750 -6.277 5.670 1.00 0.00 C ATOM 411 CG PHE A 84 -10.177 -5.501 6.821 1.00 0.00 C ATOM 412 CD1 PHE A 84 -9.044 -4.721 6.652 1.00 0.00 C ATOM 413 CD2 PHE A 84 -10.772 -5.550 8.072 1.00 0.00 C ATOM 414 CE1 PHE A 84 -8.514 -4.006 7.710 1.00 0.00 C ATOM 415 CE2 PHE A 84 -10.247 -4.837 9.133 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.117 -4.063 8.952 1.00 0.00 C ATOM 0 H PHE A 84 -13.438 -5.924 6.032 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.300 -4.564 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.228 -7.179 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.937 -6.599 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.570 -4.671 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.656 -6.152 8.219 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.629 -3.403 7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.720 -4.885 10.103 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.706 -3.504 9.779 1.00 0.00 H new ATOM 426 N LEU A 85 -11.292 -6.443 2.668 1.00 0.00 N ATOM 427 CA LEU A 85 -11.578 -7.199 1.454 1.00 0.00 C ATOM 428 C LEU A 85 -11.640 -8.694 1.745 1.00 0.00 C ATOM 429 O LEU A 85 -10.869 -9.213 2.554 1.00 0.00 O ATOM 430 CB LEU A 85 -10.512 -6.918 0.392 1.00 0.00 C ATOM 431 CG LEU A 85 -10.652 -5.598 -0.367 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.306 -5.153 -0.917 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.671 -5.734 -1.490 1.00 0.00 C ATOM 0 H LEU A 85 -10.354 -6.045 2.706 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.550 -6.881 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.534 -6.935 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.525 -7.733 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.007 -4.837 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.425 -4.212 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.604 -5.015 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.922 -5.913 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.758 -4.785 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.346 -6.509 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.640 -6.006 -1.071 1.00 0.00 H new ATOM 445 N HIS A 86 -12.560 -9.384 1.079 1.00 0.00 N ATOM 446 CA HIS A 86 -12.721 -10.822 1.265 1.00 0.00 C ATOM 447 C HIS A 86 -12.298 -11.582 0.012 1.00 0.00 C ATOM 448 O HIS A 86 -12.757 -12.697 -0.233 1.00 0.00 O ATOM 449 CB HIS A 86 -14.173 -11.154 1.611 1.00 0.00 C ATOM 450 CG HIS A 86 -14.479 -11.052 3.073 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.512 -11.738 3.676 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.878 -10.341 4.056 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.536 -11.451 4.965 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.554 -10.606 5.222 1.00 0.00 N ATOM 0 H HIS A 86 -13.205 -8.971 0.406 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.079 -11.131 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.832 -10.480 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.397 -12.165 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.026 -9.687 3.944 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.239 -11.841 5.686 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.333 -10.214 6.137 1.00 0.00 H new ATOM 462 N GLU A 87 -11.421 -10.970 -0.778 1.00 0.00 N ATOM 463 CA GLU A 87 -10.938 -11.590 -2.007 1.00 0.00 C ATOM 464 C GLU A 87 -9.415 -11.538 -2.080 1.00 0.00 C ATOM 465 O GLU A 87 -8.811 -10.477 -1.921 1.00 0.00 O ATOM 466 CB GLU A 87 -11.543 -10.892 -3.227 1.00 0.00 C ATOM 467 CG GLU A 87 -11.309 -9.391 -3.249 1.00 0.00 C ATOM 468 CD GLU A 87 -11.599 -8.775 -4.604 1.00 0.00 C ATOM 469 OE1 GLU A 87 -12.428 -9.339 -5.347 1.00 0.00 O ATOM 470 OE2 GLU A 87 -10.996 -7.728 -4.919 1.00 0.00 O ATOM 0 H GLU A 87 -11.031 -10.047 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.248 -12.635 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.121 -11.330 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.616 -11.084 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.940 -8.918 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.275 -9.184 -2.974 1.00 0.00 H new ATOM 477 N TYR A 88 -8.801 -12.690 -2.322 1.00 0.00 N ATOM 478 CA TYR A 88 -7.348 -12.778 -2.413 1.00 0.00 C ATOM 479 C TYR A 88 -6.823 -11.927 -3.565 1.00 0.00 C ATOM 480 O TYR A 88 -6.930 -12.307 -4.731 1.00 0.00 O ATOM 481 CB TYR A 88 -6.915 -14.233 -2.600 1.00 0.00 C ATOM 482 CG TYR A 88 -5.600 -14.564 -1.930 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.393 -14.364 -2.588 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.565 -15.077 -0.639 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.190 -14.665 -1.980 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.367 -15.380 -0.023 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.182 -15.173 -0.697 1.00 0.00 C ATOM 488 OH TYR A 88 -1.985 -15.474 -0.088 1.00 0.00 O ATOM 0 H TYR A 88 -9.286 -13.577 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.927 -12.398 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.691 -14.888 -2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.834 -14.445 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.395 -13.966 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.491 -15.242 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.261 -14.504 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.358 -15.777 0.981 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.154 -15.821 0.813 1.00 0.00 H new ATOM 498 N ASP A 89 -6.254 -10.774 -3.229 1.00 0.00 N ATOM 499 CA ASP A 89 -5.709 -9.869 -4.234 1.00 0.00 C ATOM 500 C ASP A 89 -4.241 -9.566 -3.954 1.00 0.00 C ATOM 501 O ASP A 89 -3.913 -8.881 -2.985 1.00 0.00 O ATOM 502 CB ASP A 89 -6.514 -8.569 -4.269 1.00 0.00 C ATOM 503 CG ASP A 89 -7.800 -8.705 -5.060 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.719 -9.405 -4.584 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.889 -8.111 -6.155 1.00 0.00 O ATOM 0 H ASP A 89 -6.158 -10.444 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.781 -10.358 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.749 -8.263 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.904 -7.779 -4.706 1.00 0.00 H new ATOM 510 N MET A 90 -3.362 -10.081 -4.807 1.00 0.00 N ATOM 511 CA MET A 90 -1.928 -9.865 -4.651 1.00 0.00 C ATOM 512 C MET A 90 -1.611 -8.376 -4.551 1.00 0.00 C ATOM 513 O MET A 90 -0.503 -7.990 -4.176 1.00 0.00 O ATOM 514 CB MET A 90 -1.167 -10.483 -5.824 1.00 0.00 C ATOM 515 CG MET A 90 -0.878 -11.965 -5.648 1.00 0.00 C ATOM 516 SD MET A 90 0.808 -12.284 -5.093 1.00 0.00 S ATOM 517 CE MET A 90 0.695 -11.796 -3.373 1.00 0.00 C ATOM 0 H MET A 90 -3.617 -10.651 -5.613 1.00 0.00 H new ATOM 0 HA MET A 90 -1.611 -10.349 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.745 -10.340 -6.737 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.225 -9.951 -5.956 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.579 -12.385 -4.927 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.048 -12.479 -6.594 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.658 -11.952 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.424 -10.742 -3.311 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.066 -12.396 -2.874 1.00 0.00 H new ATOM 527 N THR A 91 -2.589 -7.542 -4.890 1.00 0.00 N ATOM 528 CA THR A 91 -2.414 -6.097 -4.840 1.00 0.00 C ATOM 529 C THR A 91 -3.085 -5.503 -3.607 1.00 0.00 C ATOM 530 O THR A 91 -2.492 -4.694 -2.893 1.00 0.00 O ATOM 531 CB THR A 91 -2.985 -5.417 -6.099 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.399 -5.632 -6.172 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.319 -5.959 -7.355 1.00 0.00 C ATOM 0 H THR A 91 -3.512 -7.844 -5.203 1.00 0.00 H new ATOM 0 HA THR A 91 -1.341 -5.911 -4.791 1.00 0.00 H new ATOM 0 HB THR A 91 -2.783 -4.348 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.755 -5.195 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.738 -5.464 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.247 -5.769 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.495 -7.032 -7.426 1.00 0.00 H new ATOM 541 N LYS A 92 -4.326 -5.910 -3.362 1.00 0.00 N ATOM 542 CA LYS A 92 -5.079 -5.420 -2.213 1.00 0.00 C ATOM 543 C LYS A 92 -4.723 -6.204 -0.954 1.00 0.00 C ATOM 544 O LYS A 92 -5.521 -6.296 -0.023 1.00 0.00 O ATOM 545 CB LYS A 92 -6.582 -5.522 -2.482 1.00 0.00 C ATOM 546 CG LYS A 92 -6.978 -5.110 -3.889 1.00 0.00 C ATOM 547 CD LYS A 92 -7.402 -3.652 -3.945 1.00 0.00 C ATOM 548 CE LYS A 92 -6.246 -2.722 -3.612 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.525 -1.319 -4.027 1.00 0.00 N ATOM 0 H LYS A 92 -4.832 -6.578 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.814 -4.375 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.905 -6.549 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.114 -4.896 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.139 -5.272 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.796 -5.741 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.782 -3.420 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.220 -3.483 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.053 -2.752 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.342 -3.074 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.713 -0.717 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.684 -1.286 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.373 -0.973 -3.534 1.00 0.00 H new ATOM 563 N MET A 93 -3.519 -6.766 -0.934 1.00 0.00 N ATOM 564 CA MET A 93 -3.057 -7.540 0.212 1.00 0.00 C ATOM 565 C MET A 93 -1.783 -6.938 0.797 1.00 0.00 C ATOM 566 O MET A 93 -1.006 -6.278 0.107 1.00 0.00 O ATOM 567 CB MET A 93 -2.807 -8.994 -0.194 1.00 0.00 C ATOM 568 CG MET A 93 -1.452 -9.219 -0.845 1.00 0.00 C ATOM 569 SD MET A 93 -1.092 -10.966 -1.112 1.00 0.00 S ATOM 570 CE MET A 93 -1.543 -11.652 0.480 1.00 0.00 C ATOM 0 H MET A 93 -2.846 -6.700 -1.698 1.00 0.00 H new ATOM 0 HA MET A 93 -3.835 -7.512 0.975 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.886 -9.628 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.589 -9.310 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.421 -8.695 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.675 -8.784 -0.217 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.063 -12.622 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.216 -10.979 1.272 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.625 -11.773 0.531 1.00 0.00 H new ATOM 580 N PRO A 94 -1.562 -7.168 2.100 1.00 0.00 N ATOM 581 CA PRO A 94 -0.384 -6.657 2.806 1.00 0.00 C ATOM 582 C PRO A 94 0.901 -7.349 2.365 1.00 0.00 C ATOM 583 O PRO A 94 0.945 -8.572 2.237 1.00 0.00 O ATOM 584 CB PRO A 94 -0.685 -6.972 4.273 1.00 0.00 C ATOM 585 CG PRO A 94 -1.621 -8.129 4.228 1.00 0.00 C ATOM 586 CD PRO A 94 -2.446 -7.946 2.984 1.00 0.00 C ATOM 0 HA PRO A 94 -0.218 -5.598 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.225 -7.220 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.136 -6.117 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.075 -9.072 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.253 -8.154 5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.719 -8.903 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.375 -7.415 3.192 1.00 0.00 H new ATOM 594 N GLU A 95 1.945 -6.559 2.135 1.00 0.00 N ATOM 595 CA GLU A 95 3.231 -7.098 1.708 1.00 0.00 C ATOM 596 C GLU A 95 3.833 -7.991 2.790 1.00 0.00 C ATOM 597 O GLU A 95 3.373 -7.997 3.932 1.00 0.00 O ATOM 598 CB GLU A 95 4.200 -5.961 1.373 1.00 0.00 C ATOM 599 CG GLU A 95 3.681 -5.015 0.304 1.00 0.00 C ATOM 600 CD GLU A 95 2.815 -3.908 0.875 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.267 -3.228 1.819 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.685 -3.723 0.376 1.00 0.00 O ATOM 0 H GLU A 95 1.926 -5.544 2.237 1.00 0.00 H new ATOM 0 HA GLU A 95 3.065 -7.700 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.407 -5.393 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.146 -6.387 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.525 -4.574 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.105 -5.581 -0.428 1.00 0.00 H new ATOM 609 N CYS A 96 4.863 -8.745 2.420 1.00 0.00 N ATOM 610 CA CYS A 96 5.528 -9.643 3.356 1.00 0.00 C ATOM 611 C CYS A 96 6.123 -8.866 4.527 1.00 0.00 C ATOM 612 O CYS A 96 7.066 -8.092 4.356 1.00 0.00 O ATOM 613 CB CYS A 96 6.626 -10.434 2.643 1.00 0.00 C ATOM 614 SG CYS A 96 7.206 -11.896 3.563 1.00 0.00 S ATOM 0 H CYS A 96 5.255 -8.752 1.478 1.00 0.00 H new ATOM 0 HA CYS A 96 4.784 -10.338 3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.254 -10.754 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.474 -9.774 2.459 1.00 0.00 H new ATOM 0 HG CYS A 96 6.993 -12.966 2.856 1.00 0.00 H new ATOM 619 N TYR A 97 5.567 -9.078 5.714 1.00 0.00 N ATOM 620 CA TYR A 97 6.041 -8.396 6.913 1.00 0.00 C ATOM 621 C TYR A 97 7.552 -8.543 7.062 1.00 0.00 C ATOM 622 O TYR A 97 8.229 -7.646 7.564 1.00 0.00 O ATOM 623 CB TYR A 97 5.339 -8.952 8.153 1.00 0.00 C ATOM 624 CG TYR A 97 6.180 -8.883 9.407 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.665 -7.668 9.876 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.491 -10.032 10.123 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.434 -7.600 11.021 1.00 0.00 C ATOM 628 CE2 TYR A 97 7.259 -9.974 11.270 1.00 0.00 C ATOM 629 CZ TYR A 97 7.728 -8.756 11.715 1.00 0.00 C ATOM 630 OH TYR A 97 8.494 -8.693 12.856 1.00 0.00 O ATOM 0 H TYR A 97 4.788 -9.717 5.872 1.00 0.00 H new ATOM 0 HA TYR A 97 5.805 -7.336 6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.414 -8.399 8.315 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.062 -9.990 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.437 -6.761 9.336 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.126 -10.988 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.803 -6.647 11.371 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.491 -10.877 11.815 1.00 0.00 H new ATOM 0 HH TYR A 97 9.429 -8.884 12.633 1.00 0.00 H new ATOM 640 N PHE A 98 8.075 -9.682 6.620 1.00 0.00 N ATOM 641 CA PHE A 98 9.507 -9.949 6.703 1.00 0.00 C ATOM 642 C PHE A 98 10.281 -9.075 5.721 1.00 0.00 C ATOM 643 O PHE A 98 11.058 -8.209 6.124 1.00 0.00 O ATOM 644 CB PHE A 98 9.789 -11.426 6.421 1.00 0.00 C ATOM 645 CG PHE A 98 9.190 -12.356 7.438 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.847 -12.615 8.630 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.971 -12.971 7.201 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.298 -13.470 9.568 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.418 -13.826 8.135 1.00 0.00 C ATOM 650 CZ PHE A 98 8.083 -14.077 9.320 1.00 0.00 C ATOM 0 H PHE A 98 7.529 -10.435 6.201 1.00 0.00 H new ATOM 0 HA PHE A 98 9.838 -9.710 7.714 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.400 -11.680 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.867 -11.582 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.798 -12.144 8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.447 -12.780 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.819 -13.663 10.494 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.467 -14.298 7.939 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.653 -14.746 10.050 1.00 0.00 H new ATOM 660 N TYR A 99 10.064 -9.310 4.432 1.00 0.00 N ATOM 661 CA TYR A 99 10.744 -8.547 3.392 1.00 0.00 C ATOM 662 C TYR A 99 10.406 -7.063 3.496 1.00 0.00 C ATOM 663 O TYR A 99 11.084 -6.217 2.912 1.00 0.00 O ATOM 664 CB TYR A 99 10.356 -9.073 2.009 1.00 0.00 C ATOM 665 CG TYR A 99 11.443 -8.906 0.971 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.537 -7.744 0.215 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.377 -9.910 0.747 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.528 -7.587 -0.734 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.372 -9.761 -0.200 1.00 0.00 C ATOM 670 CZ TYR A 99 13.443 -8.599 -0.938 1.00 0.00 C ATOM 671 OH TYR A 99 14.433 -8.446 -1.882 1.00 0.00 O ATOM 0 H TYR A 99 9.423 -10.022 4.082 1.00 0.00 H new ATOM 0 HA TYR A 99 11.818 -8.668 3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.102 -10.130 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.459 -8.554 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.822 -6.950 0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.324 -10.822 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.586 -6.677 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.091 -10.551 -0.361 1.00 0.00 H new ATOM 0 HH TYR A 99 14.995 -9.249 -1.900 1.00 0.00 H new ATOM 681 N SER A 100 9.352 -6.753 4.244 1.00 0.00 N ATOM 682 CA SER A 100 8.920 -5.372 4.424 1.00 0.00 C ATOM 683 C SER A 100 9.566 -4.758 5.662 1.00 0.00 C ATOM 684 O SER A 100 9.727 -3.541 5.754 1.00 0.00 O ATOM 685 CB SER A 100 7.397 -5.303 4.542 1.00 0.00 C ATOM 686 OG SER A 100 6.978 -4.030 5.005 1.00 0.00 O ATOM 0 H SER A 100 8.781 -7.440 4.736 1.00 0.00 H new ATOM 0 HA SER A 100 9.235 -4.802 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.944 -5.508 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.047 -6.076 5.226 1.00 0.00 H new ATOM 0 HG SER A 100 6.000 -4.011 5.070 1.00 0.00 H new ATOM 692 N LYS A 101 9.935 -5.609 6.613 1.00 0.00 N ATOM 693 CA LYS A 101 10.565 -5.153 7.846 1.00 0.00 C ATOM 694 C LYS A 101 12.067 -5.419 7.821 1.00 0.00 C ATOM 695 O LYS A 101 12.873 -4.489 7.840 1.00 0.00 O ATOM 696 CB LYS A 101 9.934 -5.850 9.054 1.00 0.00 C ATOM 697 CG LYS A 101 10.154 -5.114 10.364 1.00 0.00 C ATOM 698 CD LYS A 101 11.487 -5.483 10.994 1.00 0.00 C ATOM 699 CE LYS A 101 11.461 -5.297 12.503 1.00 0.00 C ATOM 700 NZ LYS A 101 12.802 -5.518 13.112 1.00 0.00 N ATOM 0 H LYS A 101 9.808 -6.619 6.553 1.00 0.00 H new ATOM 0 HA LYS A 101 10.405 -4.078 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.863 -5.957 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.345 -6.856 9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.119 -4.039 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.346 -5.351 11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.727 -6.520 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.277 -4.867 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.116 -4.290 12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.744 -5.991 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.732 -5.432 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.143 -6.469 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.469 -4.807 12.750 1.00 0.00 H new ATOM 714 N PHE A 102 12.437 -6.695 7.776 1.00 0.00 N ATOM 715 CA PHE A 102 13.842 -7.083 7.747 1.00 0.00 C ATOM 716 C PHE A 102 14.397 -7.012 6.328 1.00 0.00 C ATOM 717 O PHE A 102 15.591 -6.795 6.126 1.00 0.00 O ATOM 718 CB PHE A 102 14.014 -8.498 8.304 1.00 0.00 C ATOM 719 CG PHE A 102 13.381 -8.693 9.652 1.00 0.00 C ATOM 720 CD1 PHE A 102 14.078 -8.385 10.809 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.091 -9.185 9.762 1.00 0.00 C ATOM 722 CE1 PHE A 102 13.499 -8.563 12.052 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.506 -9.365 11.001 1.00 0.00 C ATOM 724 CZ PHE A 102 12.211 -9.054 12.148 1.00 0.00 C ATOM 0 H PHE A 102 11.783 -7.478 7.759 1.00 0.00 H new ATOM 0 HA PHE A 102 14.399 -6.384 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.582 -9.211 7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.078 -8.725 8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.085 -8.001 10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.536 -9.431 8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.053 -8.319 12.946 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.499 -9.748 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.756 -9.194 13.117 1.00 0.00 H new ATOM 734 N GLY A 103 13.520 -7.197 5.346 1.00 0.00 N ATOM 735 CA GLY A 103 13.940 -7.151 3.957 1.00 0.00 C ATOM 736 C GLY A 103 14.713 -8.387 3.544 1.00 0.00 C ATOM 737 O GLY A 103 15.620 -8.311 2.715 1.00 0.00 O ATOM 0 H GLY A 103 12.526 -7.378 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.063 -7.045 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.559 -6.269 3.797 1.00 0.00 H new ATOM 741 N GLU A 104 14.356 -9.529 4.125 1.00 0.00 N ATOM 742 CA GLU A 104 15.025 -10.786 3.813 1.00 0.00 C ATOM 743 C GLU A 104 14.060 -11.961 3.935 1.00 0.00 C ATOM 744 O GLU A 104 13.592 -12.285 5.027 1.00 0.00 O ATOM 745 CB GLU A 104 16.222 -10.996 4.743 1.00 0.00 C ATOM 746 CG GLU A 104 17.032 -9.734 4.988 1.00 0.00 C ATOM 747 CD GLU A 104 18.213 -9.968 5.910 1.00 0.00 C ATOM 748 OE1 GLU A 104 19.254 -10.459 5.427 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.094 -9.660 7.114 1.00 0.00 O ATOM 0 H GLU A 104 13.608 -9.609 4.814 1.00 0.00 H new ATOM 0 HA GLU A 104 15.378 -10.734 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.866 -11.380 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.874 -11.758 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.391 -9.347 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.385 -8.970 5.419 1.00 0.00 H new ATOM 756 N CYS A 105 13.765 -12.596 2.805 1.00 0.00 N ATOM 757 CA CYS A 105 12.855 -13.735 2.783 1.00 0.00 C ATOM 758 C CYS A 105 13.363 -14.820 1.838 1.00 0.00 C ATOM 759 O CYS A 105 13.729 -14.541 0.696 1.00 0.00 O ATOM 760 CB CYS A 105 11.455 -13.288 2.357 1.00 0.00 C ATOM 761 SG CYS A 105 10.121 -14.406 2.895 1.00 0.00 S ATOM 0 H CYS A 105 14.143 -12.341 1.893 1.00 0.00 H new ATOM 0 HA CYS A 105 12.807 -14.148 3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.265 -12.293 2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.427 -13.203 1.271 1.00 0.00 H new ATOM 0 HG CYS A 105 9.055 -13.712 3.164 1.00 0.00 H new ATOM 766 N SER A 106 13.384 -16.057 2.323 1.00 0.00 N ATOM 767 CA SER A 106 13.851 -17.184 1.524 1.00 0.00 C ATOM 768 C SER A 106 12.683 -18.068 1.097 1.00 0.00 C ATOM 769 O SER A 106 12.758 -19.294 1.175 1.00 0.00 O ATOM 770 CB SER A 106 14.868 -18.009 2.313 1.00 0.00 C ATOM 771 OG SER A 106 16.150 -17.405 2.282 1.00 0.00 O ATOM 0 H SER A 106 13.083 -16.304 3.266 1.00 0.00 H new ATOM 0 HA SER A 106 14.331 -16.789 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.535 -18.110 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.926 -19.015 1.897 1.00 0.00 H new ATOM 0 HG SER A 106 16.781 -17.951 2.795 1.00 0.00 H new ATOM 777 N ASN A 107 11.604 -17.436 0.646 1.00 0.00 N ATOM 778 CA ASN A 107 10.420 -18.165 0.207 1.00 0.00 C ATOM 779 C ASN A 107 10.193 -17.983 -1.291 1.00 0.00 C ATOM 780 O ASN A 107 9.615 -16.987 -1.727 1.00 0.00 O ATOM 781 CB ASN A 107 9.188 -17.691 0.981 1.00 0.00 C ATOM 782 CG ASN A 107 9.063 -18.361 2.336 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.891 -19.194 2.707 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.026 -18.000 3.081 1.00 0.00 N ATOM 0 H ASN A 107 11.525 -16.422 0.575 1.00 0.00 H new ATOM 0 HA ASN A 107 10.582 -19.224 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.241 -16.611 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.293 -17.895 0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.890 -18.417 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.365 -17.306 2.733 1.00 0.00 H new ATOM 791 N LYS A 108 10.652 -18.952 -2.075 1.00 0.00 N ATOM 792 CA LYS A 108 10.499 -18.902 -3.524 1.00 0.00 C ATOM 793 C LYS A 108 9.028 -18.792 -3.913 1.00 0.00 C ATOM 794 O LYS A 108 8.692 -18.221 -4.950 1.00 0.00 O ATOM 795 CB LYS A 108 11.115 -20.147 -4.166 1.00 0.00 C ATOM 796 CG LYS A 108 10.649 -21.449 -3.538 1.00 0.00 C ATOM 797 CD LYS A 108 10.699 -22.597 -4.532 1.00 0.00 C ATOM 798 CE LYS A 108 10.331 -23.919 -3.876 1.00 0.00 C ATOM 799 NZ LYS A 108 10.776 -25.085 -4.690 1.00 0.00 N ATOM 0 H LYS A 108 11.134 -19.783 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 108 11.020 -18.017 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.869 -20.157 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.201 -20.085 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.276 -21.684 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.631 -21.331 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.015 -22.396 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.700 -22.667 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.785 -23.972 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.251 -23.966 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.507 -25.967 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.323 -25.048 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.809 -25.055 -4.804 1.00 0.00 H new ATOM 813 N GLU A 109 8.156 -19.341 -3.072 1.00 0.00 N ATOM 814 CA GLU A 109 6.721 -19.302 -3.329 1.00 0.00 C ATOM 815 C GLU A 109 5.988 -18.565 -2.212 1.00 0.00 C ATOM 816 O GLU A 109 4.983 -19.047 -1.690 1.00 0.00 O ATOM 817 CB GLU A 109 6.167 -20.722 -3.467 1.00 0.00 C ATOM 818 CG GLU A 109 6.569 -21.409 -4.761 1.00 0.00 C ATOM 819 CD GLU A 109 6.008 -22.813 -4.875 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.377 -23.669 -4.044 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.200 -23.056 -5.795 1.00 0.00 O ATOM 0 H GLU A 109 8.418 -19.817 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 109 6.559 -18.764 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.513 -21.321 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.079 -20.686 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.223 -20.814 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.656 -21.450 -4.823 1.00 0.00 H new ATOM 828 N CYS A 110 6.499 -17.393 -1.851 1.00 0.00 N ATOM 829 CA CYS A 110 5.896 -16.587 -0.796 1.00 0.00 C ATOM 830 C CYS A 110 4.608 -15.929 -1.283 1.00 0.00 C ATOM 831 O CYS A 110 4.597 -15.176 -2.257 1.00 0.00 O ATOM 832 CB CYS A 110 6.879 -15.518 -0.316 1.00 0.00 C ATOM 833 SG CYS A 110 6.491 -14.834 1.327 1.00 0.00 S ATOM 0 H CYS A 110 7.330 -16.980 -2.274 1.00 0.00 H new ATOM 0 HA CYS A 110 5.653 -17.247 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.881 -15.946 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.897 -14.705 -1.041 1.00 0.00 H new ATOM 0 HG CYS A 110 7.593 -14.653 1.993 1.00 0.00 H new ATOM 838 N PRO A 111 3.497 -16.218 -0.590 1.00 0.00 N ATOM 839 CA PRO A 111 2.184 -15.664 -0.932 1.00 0.00 C ATOM 840 C PRO A 111 2.092 -14.170 -0.645 1.00 0.00 C ATOM 841 O PRO A 111 1.036 -13.559 -0.811 1.00 0.00 O ATOM 842 CB PRO A 111 1.224 -16.443 -0.029 1.00 0.00 C ATOM 843 CG PRO A 111 2.057 -16.870 1.130 1.00 0.00 C ATOM 844 CD PRO A 111 3.437 -17.108 0.582 1.00 0.00 C ATOM 0 HA PRO A 111 1.965 -15.762 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.389 -15.820 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.800 -17.302 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.071 -16.103 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.657 -17.775 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.207 -16.862 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.584 -18.151 0.302 1.00 0.00 H new ATOM 852 N PHE A 112 3.205 -13.586 -0.213 1.00 0.00 N ATOM 853 CA PHE A 112 3.249 -12.162 0.099 1.00 0.00 C ATOM 854 C PHE A 112 4.021 -11.395 -0.971 1.00 0.00 C ATOM 855 O PHE A 112 4.584 -11.988 -1.892 1.00 0.00 O ATOM 856 CB PHE A 112 3.894 -11.937 1.468 1.00 0.00 C ATOM 857 CG PHE A 112 2.953 -12.159 2.617 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.773 -11.440 2.713 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.250 -13.087 3.603 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.905 -11.643 3.769 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.385 -13.294 4.661 1.00 0.00 C ATOM 862 CZ PHE A 112 1.212 -12.570 4.745 1.00 0.00 C ATOM 0 H PHE A 112 4.088 -14.077 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 112 2.225 -11.789 0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.748 -12.607 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.280 -10.919 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.528 -10.712 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.167 -13.654 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.013 -11.077 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.626 -14.022 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.536 -12.729 5.572 1.00 0.00 H new ATOM 872 N LEU A 113 4.042 -10.073 -0.844 1.00 0.00 N ATOM 873 CA LEU A 113 4.744 -9.223 -1.799 1.00 0.00 C ATOM 874 C LEU A 113 6.185 -8.986 -1.361 1.00 0.00 C ATOM 875 O LEU A 113 6.455 -8.738 -0.185 1.00 0.00 O ATOM 876 CB LEU A 113 4.018 -7.885 -1.951 1.00 0.00 C ATOM 877 CG LEU A 113 2.624 -7.945 -2.577 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.582 -8.294 -1.526 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.284 -6.622 -3.249 1.00 0.00 C ATOM 0 H LEU A 113 3.581 -9.566 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 113 4.756 -9.734 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.932 -7.427 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.638 -7.225 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 113 2.621 -8.727 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.596 -8.332 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.816 -9.265 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.586 -7.535 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.289 -6.683 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.305 -5.822 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.014 -6.413 -4.031 1.00 0.00 H new ATOM 891 N HIS A 114 7.109 -9.061 -2.314 1.00 0.00 N ATOM 892 CA HIS A 114 8.523 -8.851 -2.027 1.00 0.00 C ATOM 893 C HIS A 114 9.031 -7.579 -2.698 1.00 0.00 C ATOM 894 O HIS A 114 9.407 -7.592 -3.871 1.00 0.00 O ATOM 895 CB HIS A 114 9.344 -10.052 -2.497 1.00 0.00 C ATOM 896 CG HIS A 114 9.487 -11.123 -1.460 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.057 -12.352 -1.720 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.131 -11.144 -0.154 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.044 -13.083 -0.620 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.488 -12.373 0.345 1.00 0.00 N ATOM 0 H HIS A 114 6.903 -9.266 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 114 8.637 -8.742 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.875 -10.477 -3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.336 -9.710 -2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.655 -10.344 0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.423 -14.090 -0.526 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.347 -12.687 1.305 1.00 0.00 H new ATOM 908 N ILE A 115 9.039 -6.482 -1.948 1.00 0.00 N ATOM 909 CA ILE A 115 9.501 -5.203 -2.470 1.00 0.00 C ATOM 910 C ILE A 115 10.846 -4.815 -1.865 1.00 0.00 C ATOM 911 O ILE A 115 11.094 -5.041 -0.680 1.00 0.00 O ATOM 912 CB ILE A 115 8.483 -4.081 -2.193 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.126 -4.430 -2.807 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.993 -2.756 -2.741 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.018 -3.483 -2.403 1.00 0.00 C ATOM 0 H ILE A 115 8.730 -6.454 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 115 9.612 -5.324 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 115 8.358 -3.982 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.217 -4.428 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.853 -5.443 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.263 -1.973 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.939 -2.504 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.143 -2.841 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.085 -3.791 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.900 -3.502 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.269 -2.472 -2.722 1.00 0.00 H new ATOM 927 N ASP A 116 11.711 -4.228 -2.685 1.00 0.00 N ATOM 928 CA ASP A 116 13.030 -3.805 -2.230 1.00 0.00 C ATOM 929 C ASP A 116 12.927 -2.579 -1.329 1.00 0.00 C ATOM 930 O ASP A 116 12.136 -1.666 -1.569 1.00 0.00 O ATOM 931 CB ASP A 116 13.932 -3.499 -3.427 1.00 0.00 C ATOM 932 CG ASP A 116 15.403 -3.662 -3.100 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.825 -4.803 -2.816 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.133 -2.649 -3.129 1.00 0.00 O ATOM 0 H ASP A 116 11.522 -4.034 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 116 13.467 -4.621 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.671 -4.160 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.749 -2.479 -3.765 1.00 0.00 H new