USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.54) USER MOD Single : A 13 THR OG1 : rot 140:sc= 0.463 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.0791 (180deg=-1.1) USER MOD Single : A 37 SER OG : rot -42:sc= 1.05 USER MOD Single : A 38 SER OG : rot -130:sc= -0.602 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 46 CYS SG : rot 68:sc= -1.49 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 149:sc= -0.0215 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 140:sc= -1.3 USER MOD Single : A 65 GLN : amide:sc=-0.00323 X(o=-0.0032,f=-0.0032) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 1:sc= -3.28 USER MOD Single : A 72 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.4!) USER MOD Single : A 73 ASN : amide:sc= -0.117 K(o=-0.12,f=-9.7!) USER MOD Single : A 75 ASN : amide:sc= -2.95! K(o=-2.9!,f=-0.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 53:sc= -6.29! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 152:sc= -0.478 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.029 K(o=-0.029,f=-2.7) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -41:sc= 1.2 USER MOD Single : A 106 THR OG1 : rot -88:sc= 0.455 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc=-0.00152 (180deg=-0.0937) USER MOD Single : A 114 THR OG1 : rot 9:sc= 0.979 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.360 -2.089 -5.526 1.00 0.00 N ATOM 60 CA GLY A 7 -11.243 -2.377 -4.645 1.00 0.00 C ATOM 61 C GLY A 7 -10.651 -1.124 -4.031 1.00 0.00 C ATOM 62 O GLY A 7 -10.341 -1.096 -2.840 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.574 -3.046 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.470 -2.904 -5.204 1.00 0.00 H new ATOM 66 N GLU A 8 -10.493 -0.086 -4.845 1.00 0.00 N ATOM 67 CA GLU A 8 -9.931 1.175 -4.374 1.00 0.00 C ATOM 68 C GLU A 8 -10.413 1.491 -2.961 1.00 0.00 C ATOM 69 O GLU A 8 -9.610 1.659 -2.044 1.00 0.00 O ATOM 70 CB GLU A 8 -10.313 2.315 -5.322 1.00 0.00 C ATOM 71 CG GLU A 8 -9.705 2.184 -6.708 1.00 0.00 C ATOM 72 CD GLU A 8 -10.553 2.837 -7.781 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.693 4.078 -7.753 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.077 2.108 -8.649 1.00 0.00 O ATOM 0 H GLU A 8 -10.746 -0.093 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.846 1.075 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.399 2.352 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.997 3.262 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.713 2.635 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.575 1.128 -6.945 1.00 0.00 H new ATOM 81 N GLU A 9 -11.729 1.570 -2.795 1.00 0.00 N ATOM 82 CA GLU A 9 -12.318 1.867 -1.494 1.00 0.00 C ATOM 83 C GLU A 9 -11.887 0.837 -0.454 1.00 0.00 C ATOM 84 O GLU A 9 -11.495 1.189 0.658 1.00 0.00 O ATOM 85 CB GLU A 9 -13.844 1.899 -1.595 1.00 0.00 C ATOM 86 CG GLU A 9 -14.540 2.043 -0.252 1.00 0.00 C ATOM 87 CD GLU A 9 -14.714 0.715 0.459 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.833 -0.318 -0.234 1.00 0.00 O ATOM 89 OE2 GLU A 9 -14.732 0.708 1.708 1.00 0.00 O ATOM 0 H GLU A 9 -12.407 1.433 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.962 2.848 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.140 2.727 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.187 0.983 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.964 2.717 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.517 2.502 -0.401 1.00 0.00 H new ATOM 96 N GLN A 10 -11.965 -0.437 -0.825 1.00 0.00 N ATOM 97 CA GLN A 10 -11.585 -1.519 0.076 1.00 0.00 C ATOM 98 C GLN A 10 -10.197 -1.279 0.660 1.00 0.00 C ATOM 99 O GLN A 10 -9.996 -1.383 1.870 1.00 0.00 O ATOM 100 CB GLN A 10 -11.616 -2.859 -0.661 1.00 0.00 C ATOM 101 CG GLN A 10 -12.985 -3.520 -0.664 1.00 0.00 C ATOM 102 CD GLN A 10 -12.905 -5.028 -0.799 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.087 -5.678 -0.148 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.757 -5.593 -1.647 1.00 0.00 N ATOM 0 H GLN A 10 -12.288 -0.745 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.304 -1.546 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.294 -2.705 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.896 -3.535 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.507 -3.269 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.577 -3.116 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.418 -5.015 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.750 -6.604 -1.779 1.00 0.00 H new ATOM 113 N ILE A 11 -9.243 -0.957 -0.207 1.00 0.00 N ATOM 114 CA ILE A 11 -7.874 -0.702 0.223 1.00 0.00 C ATOM 115 C ILE A 11 -7.810 0.491 1.171 1.00 0.00 C ATOM 116 O ILE A 11 -7.292 0.388 2.283 1.00 0.00 O ATOM 117 CB ILE A 11 -6.946 -0.440 -0.977 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.952 -1.641 -1.926 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.532 -0.144 -0.499 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.720 -2.963 -1.229 1.00 0.00 C ATOM 0 H ILE A 11 -9.393 -0.867 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.535 -1.597 0.744 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.315 0.430 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.909 -1.677 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.181 -1.499 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.888 0.039 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.542 0.738 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.152 -0.997 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.737 -3.769 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.751 -2.946 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.505 -3.128 -0.491 1.00 0.00 H new ATOM 132 N VAL A 12 -8.341 1.625 0.724 1.00 0.00 N ATOM 133 CA VAL A 12 -8.347 2.838 1.532 1.00 0.00 C ATOM 134 C VAL A 12 -8.835 2.552 2.948 1.00 0.00 C ATOM 135 O VAL A 12 -8.100 2.737 3.919 1.00 0.00 O ATOM 136 CB VAL A 12 -9.238 3.927 0.904 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.286 5.157 1.797 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.738 4.286 -0.487 1.00 0.00 C ATOM 0 H VAL A 12 -8.773 1.728 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.319 3.198 1.570 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.251 3.536 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.920 5.916 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.694 4.884 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.279 5.554 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.378 5.056 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.716 4.659 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.761 3.400 -1.122 1.00 0.00 H new ATOM 148 N THR A 13 -10.079 2.099 3.060 1.00 0.00 N ATOM 149 CA THR A 13 -10.666 1.787 4.357 1.00 0.00 C ATOM 150 C THR A 13 -9.866 0.709 5.078 1.00 0.00 C ATOM 151 O THR A 13 -9.697 0.758 6.296 1.00 0.00 O ATOM 152 CB THR A 13 -12.126 1.318 4.215 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.880 2.282 3.471 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.764 1.113 5.581 1.00 0.00 C ATOM 0 H THR A 13 -10.700 1.940 2.267 1.00 0.00 H new ATOM 0 HA THR A 13 -10.643 2.706 4.943 1.00 0.00 H new ATOM 0 HB THR A 13 -12.129 0.366 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.492 1.819 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.795 0.782 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.205 0.358 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.750 2.052 6.134 1.00 0.00 H new ATOM 162 N TRP A 14 -9.375 -0.264 4.318 1.00 0.00 N ATOM 163 CA TRP A 14 -8.590 -1.355 4.886 1.00 0.00 C ATOM 164 C TRP A 14 -7.358 -0.821 5.608 1.00 0.00 C ATOM 165 O TRP A 14 -7.212 -0.995 6.819 1.00 0.00 O ATOM 166 CB TRP A 14 -8.169 -2.333 3.788 1.00 0.00 C ATOM 167 CG TRP A 14 -7.210 -3.381 4.263 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.268 -4.074 5.438 1.00 0.00 C ATOM 169 CD2 TRP A 14 -6.047 -3.854 3.573 1.00 0.00 C ATOM 170 NE1 TRP A 14 -6.212 -4.949 5.521 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.449 -4.834 4.389 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.455 -3.546 2.346 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.288 -5.506 4.016 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -4.302 -4.214 1.977 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.729 -5.184 2.809 1.00 0.00 C ATOM 0 H TRP A 14 -9.506 -0.320 3.308 1.00 0.00 H new ATOM 0 HA TRP A 14 -9.213 -1.879 5.610 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -9.057 -2.819 3.384 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.712 -1.776 2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.032 -3.952 6.192 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.026 -5.582 6.299 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.890 -2.800 1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.845 -6.254 4.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.835 -3.984 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.828 -5.688 2.492 1.00 0.00 H new ATOM 186 N LEU A 15 -6.474 -0.171 4.860 1.00 0.00 N ATOM 187 CA LEU A 15 -5.254 0.389 5.429 1.00 0.00 C ATOM 188 C LEU A 15 -5.539 1.071 6.764 1.00 0.00 C ATOM 189 O LEU A 15 -4.944 0.729 7.786 1.00 0.00 O ATOM 190 CB LEU A 15 -4.625 1.389 4.457 1.00 0.00 C ATOM 191 CG LEU A 15 -4.096 0.807 3.145 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.803 1.918 2.149 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.850 -0.029 3.397 1.00 0.00 C ATOM 0 H LEU A 15 -6.580 -0.019 3.857 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.555 -0.429 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.367 2.151 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.803 1.892 4.966 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.863 0.160 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.428 1.486 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.718 2.475 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.053 2.591 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.487 -0.435 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.077 0.596 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.092 -0.847 4.075 1.00 0.00 H new ATOM 205 N ILE A 16 -6.453 2.035 6.746 1.00 0.00 N ATOM 206 CA ILE A 16 -6.819 2.762 7.955 1.00 0.00 C ATOM 207 C ILE A 16 -7.201 1.804 9.078 1.00 0.00 C ATOM 208 O ILE A 16 -6.656 1.873 10.180 1.00 0.00 O ATOM 209 CB ILE A 16 -7.990 3.729 7.698 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.589 4.789 6.670 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.431 4.384 8.999 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.761 5.576 6.126 1.00 0.00 C ATOM 0 H ILE A 16 -6.953 2.331 5.908 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.943 3.338 8.255 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.830 3.161 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.880 5.478 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.072 4.304 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.259 5.065 8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.753 3.616 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.598 4.941 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.403 6.309 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.460 4.897 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.265 6.090 6.944 1.00 0.00 H new ATOM 224 N SER A 17 -8.141 0.910 8.791 1.00 0.00 N ATOM 225 CA SER A 17 -8.599 -0.062 9.777 1.00 0.00 C ATOM 226 C SER A 17 -7.418 -0.674 10.525 1.00 0.00 C ATOM 227 O SER A 17 -7.388 -0.688 11.756 1.00 0.00 O ATOM 228 CB SER A 17 -9.414 -1.164 9.098 1.00 0.00 C ATOM 229 OG SER A 17 -10.349 -1.735 9.997 1.00 0.00 O ATOM 0 H SER A 17 -8.601 0.838 7.883 1.00 0.00 H new ATOM 0 HA SER A 17 -9.233 0.457 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.939 -0.753 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.744 -1.939 8.725 1.00 0.00 H new ATOM 0 HG SER A 17 -10.858 -2.435 9.538 1.00 0.00 H new ATOM 235 N LEU A 18 -6.448 -1.180 9.772 1.00 0.00 N ATOM 236 CA LEU A 18 -5.263 -1.794 10.362 1.00 0.00 C ATOM 237 C LEU A 18 -4.547 -0.817 11.289 1.00 0.00 C ATOM 238 O LEU A 18 -4.109 -1.186 12.378 1.00 0.00 O ATOM 239 CB LEU A 18 -4.309 -2.266 9.264 1.00 0.00 C ATOM 240 CG LEU A 18 -4.635 -3.617 8.626 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.751 -3.861 7.412 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.473 -4.739 9.640 1.00 0.00 C ATOM 0 H LEU A 18 -6.458 -1.177 8.752 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.584 -2.654 10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.290 -1.511 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.303 -2.317 9.682 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.674 -3.600 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.997 -4.827 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.917 -3.074 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.705 -3.858 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.709 -5.693 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.445 -4.758 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.149 -4.572 10.479 1.00 0.00 H new ATOM 254 N GLY A 19 -4.434 0.433 10.849 1.00 0.00 N ATOM 255 CA GLY A 19 -3.772 1.444 11.652 1.00 0.00 C ATOM 256 C GLY A 19 -2.508 1.968 10.999 1.00 0.00 C ATOM 257 O GLY A 19 -1.524 2.260 11.679 1.00 0.00 O ATOM 0 H GLY A 19 -4.789 0.763 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.458 2.273 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.526 1.025 12.628 1.00 0.00 H new ATOM 261 N VAL A 20 -2.533 2.086 9.675 1.00 0.00 N ATOM 262 CA VAL A 20 -1.381 2.577 8.929 1.00 0.00 C ATOM 263 C VAL A 20 -1.712 3.871 8.195 1.00 0.00 C ATOM 264 O VAL A 20 -0.852 4.735 8.016 1.00 0.00 O ATOM 265 CB VAL A 20 -0.885 1.534 7.911 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.253 0.349 8.625 1.00 0.00 C ATOM 267 CG2 VAL A 20 -2.028 1.080 7.015 1.00 0.00 C ATOM 0 H VAL A 20 -3.339 1.848 9.097 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.591 2.767 9.656 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.123 1.997 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.092 -0.378 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.593 0.692 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.990 -0.118 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.660 0.343 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.813 0.634 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.430 1.938 6.476 1.00 0.00 H new ATOM 277 N LEU A 21 -2.965 4.000 7.771 1.00 0.00 N ATOM 278 CA LEU A 21 -3.412 5.189 7.055 1.00 0.00 C ATOM 279 C LEU A 21 -4.193 6.119 7.978 1.00 0.00 C ATOM 280 O LEU A 21 -4.727 5.689 8.999 1.00 0.00 O ATOM 281 CB LEU A 21 -4.279 4.793 5.858 1.00 0.00 C ATOM 282 CG LEU A 21 -4.783 5.943 4.985 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.627 6.600 4.248 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.831 5.444 4.001 1.00 0.00 C ATOM 0 H LEU A 21 -3.689 3.295 7.911 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.530 5.720 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.706 4.111 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.142 4.238 6.227 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.245 6.689 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.005 7.416 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.911 6.992 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.135 5.864 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.179 6.275 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.393 4.678 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.672 5.020 4.549 1.00 0.00 H new ATOM 296 N GLU A 22 -4.257 7.395 7.609 1.00 0.00 N ATOM 297 CA GLU A 22 -4.975 8.384 8.404 1.00 0.00 C ATOM 298 C GLU A 22 -6.462 8.381 8.063 1.00 0.00 C ATOM 299 O GLU A 22 -6.853 8.037 6.948 1.00 0.00 O ATOM 300 CB GLU A 22 -4.390 9.779 8.172 1.00 0.00 C ATOM 301 CG GLU A 22 -3.233 10.115 9.098 1.00 0.00 C ATOM 302 CD GLU A 22 -2.696 11.516 8.875 1.00 0.00 C ATOM 303 OE1 GLU A 22 -3.347 12.480 9.328 1.00 0.00 O ATOM 304 OE2 GLU A 22 -1.625 11.648 8.247 1.00 0.00 O ATOM 0 H GLU A 22 -3.821 7.767 6.766 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.861 8.120 9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.051 9.855 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.178 10.521 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.560 10.016 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.430 9.394 8.947 1.00 0.00 H new ATOM 436 N PRO A 31 -10.843 7.621 -4.859 1.00 0.00 N ATOM 437 CA PRO A 31 -9.769 6.969 -4.103 1.00 0.00 C ATOM 438 C PRO A 31 -8.614 6.532 -4.997 1.00 0.00 C ATOM 439 O PRO A 31 -7.495 6.333 -4.526 1.00 0.00 O ATOM 440 CB PRO A 31 -10.460 5.749 -3.489 1.00 0.00 C ATOM 441 CG PRO A 31 -11.603 5.461 -4.400 1.00 0.00 C ATOM 442 CD PRO A 31 -12.059 6.794 -4.925 1.00 0.00 C ATOM 0 HA PRO A 31 -9.322 7.639 -3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.780 4.899 -3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.804 5.957 -2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.297 4.805 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.408 4.955 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.437 6.716 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.862 7.211 -4.318 1.00 0.00 H new ATOM 450 N GLU A 32 -8.892 6.386 -6.289 1.00 0.00 N ATOM 451 CA GLU A 32 -7.874 5.973 -7.247 1.00 0.00 C ATOM 452 C GLU A 32 -6.624 6.839 -7.120 1.00 0.00 C ATOM 453 O GLU A 32 -5.525 6.331 -6.901 1.00 0.00 O ATOM 454 CB GLU A 32 -8.422 6.055 -8.674 1.00 0.00 C ATOM 455 CG GLU A 32 -7.545 5.362 -9.703 1.00 0.00 C ATOM 456 CD GLU A 32 -8.158 5.367 -11.090 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.059 6.404 -11.779 1.00 0.00 O ATOM 458 OE2 GLU A 32 -8.736 4.334 -11.486 1.00 0.00 O ATOM 0 H GLU A 32 -9.813 6.548 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.603 4.940 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.417 5.610 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.534 7.103 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.573 5.855 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.370 4.332 -9.391 1.00 0.00 H new ATOM 465 N GLU A 33 -6.802 8.149 -7.261 1.00 0.00 N ATOM 466 CA GLU A 33 -5.688 9.085 -7.163 1.00 0.00 C ATOM 467 C GLU A 33 -5.209 9.212 -5.720 1.00 0.00 C ATOM 468 O GLU A 33 -4.020 9.072 -5.434 1.00 0.00 O ATOM 469 CB GLU A 33 -6.099 10.458 -7.699 1.00 0.00 C ATOM 470 CG GLU A 33 -5.839 10.634 -9.186 1.00 0.00 C ATOM 471 CD GLU A 33 -4.366 10.548 -9.535 1.00 0.00 C ATOM 472 OE1 GLU A 33 -3.575 11.327 -8.963 1.00 0.00 O ATOM 473 OE2 GLU A 33 -4.005 9.704 -10.380 1.00 0.00 O ATOM 0 H GLU A 33 -7.706 8.586 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.867 8.698 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.160 10.612 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.559 11.229 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.385 9.870 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.229 11.600 -9.507 1.00 0.00 H new ATOM 480 N PHE A 34 -6.144 9.479 -4.814 1.00 0.00 N ATOM 481 CA PHE A 34 -5.818 9.627 -3.400 1.00 0.00 C ATOM 482 C PHE A 34 -4.922 8.486 -2.926 1.00 0.00 C ATOM 483 O PHE A 34 -4.034 8.683 -2.095 1.00 0.00 O ATOM 484 CB PHE A 34 -7.097 9.668 -2.562 1.00 0.00 C ATOM 485 CG PHE A 34 -6.844 9.680 -1.082 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.705 8.494 -0.379 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.744 10.878 -0.392 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.471 8.501 0.983 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.510 10.891 0.970 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.375 9.702 1.659 1.00 0.00 C ATOM 0 H PHE A 34 -7.133 9.597 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.279 10.566 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.670 10.555 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.712 8.803 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.780 7.552 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.850 11.812 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.363 7.569 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.433 11.831 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.195 9.711 2.724 1.00 0.00 H new ATOM 500 N LEU A 35 -5.162 7.294 -3.460 1.00 0.00 N ATOM 501 CA LEU A 35 -4.378 6.120 -3.092 1.00 0.00 C ATOM 502 C LEU A 35 -2.969 6.202 -3.671 1.00 0.00 C ATOM 503 O LEU A 35 -1.986 5.929 -2.982 1.00 0.00 O ATOM 504 CB LEU A 35 -5.069 4.846 -3.582 1.00 0.00 C ATOM 505 CG LEU A 35 -6.115 4.246 -2.642 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.968 3.223 -3.376 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.444 3.613 -1.432 1.00 0.00 C ATOM 0 H LEU A 35 -5.893 7.115 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.303 6.091 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.549 5.061 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.305 4.092 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.765 5.048 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.707 2.807 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.478 3.705 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.332 2.423 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.204 3.191 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.770 2.822 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.877 4.371 -0.892 1.00 0.00 H new ATOM 519 N LYS A 36 -2.878 6.582 -4.941 1.00 0.00 N ATOM 520 CA LYS A 36 -1.590 6.705 -5.613 1.00 0.00 C ATOM 521 C LYS A 36 -0.705 7.729 -4.911 1.00 0.00 C ATOM 522 O LYS A 36 0.514 7.573 -4.851 1.00 0.00 O ATOM 523 CB LYS A 36 -1.792 7.107 -7.076 1.00 0.00 C ATOM 524 CG LYS A 36 -2.555 6.076 -7.891 1.00 0.00 C ATOM 525 CD LYS A 36 -3.202 6.701 -9.115 1.00 0.00 C ATOM 526 CE LYS A 36 -2.272 6.662 -10.318 1.00 0.00 C ATOM 527 NZ LYS A 36 -1.120 7.593 -10.160 1.00 0.00 N ATOM 0 H LYS A 36 -3.682 6.810 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.094 5.735 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.328 8.056 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.818 7.273 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.876 5.282 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.322 5.614 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.125 6.172 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.474 7.734 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.902 5.646 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.830 6.924 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.773 7.878 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.425 8.436 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.357 7.116 -9.638 1.00 0.00 H new ATOM 541 N SER A 37 -1.327 8.777 -4.380 1.00 0.00 N ATOM 542 CA SER A 37 -0.596 9.829 -3.684 1.00 0.00 C ATOM 543 C SER A 37 -0.115 9.344 -2.319 1.00 0.00 C ATOM 544 O SER A 37 1.014 9.617 -1.913 1.00 0.00 O ATOM 545 CB SER A 37 -1.477 11.068 -3.516 1.00 0.00 C ATOM 546 OG SER A 37 -2.490 10.846 -2.550 1.00 0.00 O ATOM 0 H SER A 37 -2.336 8.920 -4.419 1.00 0.00 H new ATOM 0 HA SER A 37 0.274 10.091 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.863 11.917 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.932 11.327 -4.472 1.00 0.00 H new ATOM 0 HG SER A 37 -2.867 9.950 -2.671 1.00 0.00 H new ATOM 552 N SER A 38 -0.983 8.623 -1.615 1.00 0.00 N ATOM 553 CA SER A 38 -0.650 8.102 -0.295 1.00 0.00 C ATOM 554 C SER A 38 0.404 7.003 -0.393 1.00 0.00 C ATOM 555 O SER A 38 1.310 6.920 0.437 1.00 0.00 O ATOM 556 CB SER A 38 -1.904 7.562 0.395 1.00 0.00 C ATOM 557 OG SER A 38 -1.587 6.981 1.648 1.00 0.00 O ATOM 0 H SER A 38 -1.922 8.387 -1.937 1.00 0.00 H new ATOM 0 HA SER A 38 -0.241 8.920 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.621 8.370 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.383 6.819 -0.243 1.00 0.00 H new ATOM 0 HG SER A 38 -1.992 6.090 1.707 1.00 0.00 H new ATOM 563 N LEU A 39 0.278 6.162 -1.413 1.00 0.00 N ATOM 564 CA LEU A 39 1.218 5.067 -1.622 1.00 0.00 C ATOM 565 C LEU A 39 2.522 5.577 -2.227 1.00 0.00 C ATOM 566 O LEU A 39 3.607 5.119 -1.867 1.00 0.00 O ATOM 567 CB LEU A 39 0.601 4.005 -2.534 1.00 0.00 C ATOM 568 CG LEU A 39 -0.752 3.445 -2.092 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.508 2.875 -3.282 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.564 2.383 -1.019 1.00 0.00 C ATOM 0 H LEU A 39 -0.466 6.217 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 39 1.438 4.621 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.487 4.432 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.304 3.176 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.341 4.259 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.468 2.481 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.674 3.662 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.924 2.073 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.537 1.995 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.044 1.569 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.064 2.822 -0.156 1.00 0.00 H new ATOM 582 N LYS A 40 2.409 6.529 -3.146 1.00 0.00 N ATOM 583 CA LYS A 40 3.579 7.106 -3.799 1.00 0.00 C ATOM 584 C LYS A 40 4.734 7.253 -2.815 1.00 0.00 C ATOM 585 O LYS A 40 5.836 6.764 -3.059 1.00 0.00 O ATOM 586 CB LYS A 40 3.232 8.468 -4.403 1.00 0.00 C ATOM 587 CG LYS A 40 4.440 9.232 -4.916 1.00 0.00 C ATOM 588 CD LYS A 40 4.100 10.685 -5.205 1.00 0.00 C ATOM 589 CE LYS A 40 5.354 11.516 -5.429 1.00 0.00 C ATOM 590 NZ LYS A 40 5.042 12.967 -5.555 1.00 0.00 N ATOM 0 H LYS A 40 1.519 6.918 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 40 3.889 6.431 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.529 8.324 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.724 9.071 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.241 9.185 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.813 8.757 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.462 10.742 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.531 11.099 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.044 11.364 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.860 11.174 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.922 13.499 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.404 13.116 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.582 13.300 -4.684 1.00 0.00 H new ATOM 604 N ASN A 41 4.474 7.929 -1.701 1.00 0.00 N ATOM 605 CA ASN A 41 5.493 8.140 -0.679 1.00 0.00 C ATOM 606 C ASN A 41 6.241 6.844 -0.381 1.00 0.00 C ATOM 607 O ASN A 41 7.470 6.823 -0.331 1.00 0.00 O ATOM 608 CB ASN A 41 4.855 8.680 0.603 1.00 0.00 C ATOM 609 CG ASN A 41 4.683 10.186 0.574 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.315 10.760 -0.451 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.950 10.834 1.702 1.00 0.00 N ATOM 0 H ASN A 41 3.566 8.340 -1.483 1.00 0.00 H new ATOM 0 HA ASN A 41 6.206 8.872 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.883 8.209 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.473 8.404 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.853 11.849 1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.252 10.317 2.528 1.00 0.00 H new ATOM 618 N GLY A 42 5.490 5.765 -0.185 1.00 0.00 N ATOM 619 CA GLY A 42 6.099 4.480 0.104 1.00 0.00 C ATOM 620 C GLY A 42 6.025 4.121 1.575 1.00 0.00 C ATOM 621 O GLY A 42 5.807 2.963 1.929 1.00 0.00 O ATOM 0 H GLY A 42 4.471 5.758 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.602 3.706 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.142 4.497 -0.211 1.00 0.00 H new ATOM 625 N VAL A 43 6.210 5.118 2.435 1.00 0.00 N ATOM 626 CA VAL A 43 6.164 4.902 3.877 1.00 0.00 C ATOM 627 C VAL A 43 4.863 4.221 4.289 1.00 0.00 C ATOM 628 O VAL A 43 4.836 3.429 5.231 1.00 0.00 O ATOM 629 CB VAL A 43 6.303 6.228 4.648 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.341 7.270 4.096 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.067 6.006 6.134 1.00 0.00 C ATOM 0 H VAL A 43 6.393 6.083 2.159 1.00 0.00 H new ATOM 0 HA VAL A 43 7.005 4.255 4.127 1.00 0.00 H new ATOM 0 HB VAL A 43 7.319 6.601 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.453 8.200 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.562 7.448 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.317 6.909 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.169 6.953 6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.063 5.610 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.800 5.295 6.517 1.00 0.00 H new ATOM 641 N VAL A 44 3.786 4.534 3.576 1.00 0.00 N ATOM 642 CA VAL A 44 2.481 3.951 3.866 1.00 0.00 C ATOM 643 C VAL A 44 2.488 2.445 3.631 1.00 0.00 C ATOM 644 O VAL A 44 1.853 1.687 4.366 1.00 0.00 O ATOM 645 CB VAL A 44 1.377 4.590 3.004 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.106 3.756 3.059 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.107 6.017 3.456 1.00 0.00 C ATOM 0 H VAL A 44 3.791 5.188 2.793 1.00 0.00 H new ATOM 0 HA VAL A 44 2.271 4.150 4.917 1.00 0.00 H new ATOM 0 HB VAL A 44 1.720 4.619 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.663 4.223 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.312 2.754 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.243 3.692 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.324 6.453 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.785 6.014 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.018 6.608 3.359 1.00 0.00 H new ATOM 657 N LEU A 45 3.209 2.016 2.601 1.00 0.00 N ATOM 658 CA LEU A 45 3.299 0.599 2.267 1.00 0.00 C ATOM 659 C LEU A 45 4.246 -0.126 3.219 1.00 0.00 C ATOM 660 O LEU A 45 3.967 -1.242 3.657 1.00 0.00 O ATOM 661 CB LEU A 45 3.775 0.423 0.824 1.00 0.00 C ATOM 662 CG LEU A 45 2.779 0.822 -0.265 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.511 1.283 -1.515 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.848 -0.339 -0.587 1.00 0.00 C ATOM 0 H LEU A 45 3.740 2.629 1.983 1.00 0.00 H new ATOM 0 HA LEU A 45 2.305 0.163 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.684 1.008 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.044 -0.623 0.676 1.00 0.00 H new ATOM 0 HG LEU A 45 2.178 1.652 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.786 1.563 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.135 2.144 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.138 0.473 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.146 -0.037 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.434 -1.189 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.297 -0.623 0.310 1.00 0.00 H new ATOM 676 N CYS A 46 5.364 0.518 3.536 1.00 0.00 N ATOM 677 CA CYS A 46 6.352 -0.064 4.437 1.00 0.00 C ATOM 678 C CYS A 46 5.738 -0.353 5.803 1.00 0.00 C ATOM 679 O CYS A 46 6.057 -1.357 6.440 1.00 0.00 O ATOM 680 CB CYS A 46 7.549 0.875 4.591 1.00 0.00 C ATOM 681 SG CYS A 46 8.852 0.616 3.364 1.00 0.00 S ATOM 0 H CYS A 46 5.609 1.443 3.182 1.00 0.00 H new ATOM 0 HA CYS A 46 6.692 -1.005 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.200 1.905 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.972 0.747 5.587 1.00 0.00 H new ATOM 0 HG CYS A 46 8.419 0.970 2.190 1.00 0.00 H new ATOM 687 N LYS A 47 4.857 0.536 6.250 1.00 0.00 N ATOM 688 CA LYS A 47 4.197 0.378 7.540 1.00 0.00 C ATOM 689 C LYS A 47 3.147 -0.726 7.484 1.00 0.00 C ATOM 690 O LYS A 47 2.835 -1.353 8.498 1.00 0.00 O ATOM 691 CB LYS A 47 3.545 1.695 7.967 1.00 0.00 C ATOM 692 CG LYS A 47 4.541 2.748 8.422 1.00 0.00 C ATOM 693 CD LYS A 47 3.840 3.987 8.954 1.00 0.00 C ATOM 694 CE LYS A 47 4.787 4.860 9.761 1.00 0.00 C ATOM 695 NZ LYS A 47 4.053 5.856 10.590 1.00 0.00 N ATOM 0 H LYS A 47 4.584 1.374 5.737 1.00 0.00 H new ATOM 0 HA LYS A 47 4.953 0.098 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.966 2.091 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.843 1.497 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.183 2.331 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.186 3.024 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.434 4.562 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.997 3.690 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.399 4.231 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.466 5.380 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.734 6.432 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.488 6.473 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.423 5.360 11.253 1.00 0.00 H new ATOM 709 N LEU A 48 2.606 -0.962 6.294 1.00 0.00 N ATOM 710 CA LEU A 48 1.591 -1.993 6.105 1.00 0.00 C ATOM 711 C LEU A 48 2.200 -3.386 6.230 1.00 0.00 C ATOM 712 O LEU A 48 1.862 -4.142 7.141 1.00 0.00 O ATOM 713 CB LEU A 48 0.926 -1.836 4.736 1.00 0.00 C ATOM 714 CG LEU A 48 0.021 -2.987 4.295 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.263 -2.999 5.109 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.289 -2.881 2.808 1.00 0.00 C ATOM 0 H LEU A 48 2.853 -0.453 5.445 1.00 0.00 H new ATOM 0 HA LEU A 48 0.838 -1.874 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.337 -0.919 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.707 -1.707 3.987 1.00 0.00 H new ATOM 0 HG LEU A 48 0.547 -3.925 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.894 -3.825 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.023 -3.123 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.794 -2.058 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.934 -3.708 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.795 -1.936 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.640 -2.923 2.239 1.00 0.00 H new ATOM 728 N ILE A 49 3.101 -3.717 5.311 1.00 0.00 N ATOM 729 CA ILE A 49 3.759 -5.017 5.321 1.00 0.00 C ATOM 730 C ILE A 49 4.309 -5.344 6.705 1.00 0.00 C ATOM 731 O ILE A 49 4.393 -6.509 7.092 1.00 0.00 O ATOM 732 CB ILE A 49 4.909 -5.074 4.297 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.506 -6.482 4.247 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.979 -4.051 4.646 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.664 -7.468 3.467 1.00 0.00 C ATOM 0 H ILE A 49 3.392 -3.103 4.550 1.00 0.00 H new ATOM 0 HA ILE A 49 3.004 -5.755 5.049 1.00 0.00 H new ATOM 0 HB ILE A 49 4.511 -4.833 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.499 -6.431 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.633 -6.850 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.785 -4.103 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.544 -3.052 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.376 -4.264 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.148 -8.445 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.679 -7.548 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.558 -7.122 2.439 1.00 0.00 H new ATOM 747 N ASN A 50 4.682 -4.307 7.448 1.00 0.00 N ATOM 748 CA ASN A 50 5.223 -4.483 8.791 1.00 0.00 C ATOM 749 C ASN A 50 4.164 -5.044 9.735 1.00 0.00 C ATOM 750 O ASN A 50 4.448 -5.917 10.554 1.00 0.00 O ATOM 751 CB ASN A 50 5.750 -3.152 9.330 1.00 0.00 C ATOM 752 CG ASN A 50 7.209 -2.925 8.983 1.00 0.00 C ATOM 753 OD1 ASN A 50 8.027 -3.842 9.062 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.542 -1.698 8.599 1.00 0.00 N ATOM 0 H ASN A 50 4.620 -3.336 7.143 1.00 0.00 H new ATOM 0 HA ASN A 50 6.046 -5.195 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.152 -2.336 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.629 -3.128 10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.509 -1.485 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.831 -0.969 8.548 1.00 0.00 H new ATOM 761 N ARG A 51 2.942 -4.535 9.613 1.00 0.00 N ATOM 762 CA ARG A 51 1.840 -4.984 10.455 1.00 0.00 C ATOM 763 C ARG A 51 1.405 -6.396 10.075 1.00 0.00 C ATOM 764 O ARG A 51 1.031 -7.195 10.935 1.00 0.00 O ATOM 765 CB ARG A 51 0.655 -4.024 10.336 1.00 0.00 C ATOM 766 CG ARG A 51 -0.508 -4.376 11.249 1.00 0.00 C ATOM 767 CD ARG A 51 -0.381 -3.693 12.601 1.00 0.00 C ATOM 768 NE ARG A 51 0.478 -4.441 13.514 1.00 0.00 N ATOM 769 CZ ARG A 51 0.429 -4.319 14.836 1.00 0.00 C ATOM 770 NH1 ARG A 51 -0.433 -3.482 15.396 1.00 0.00 N ATOM 771 NH2 ARG A 51 1.244 -5.035 15.601 1.00 0.00 N ATOM 0 H ARG A 51 2.691 -3.812 8.939 1.00 0.00 H new ATOM 0 HA ARG A 51 2.187 -4.995 11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.993 -3.013 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.306 -4.017 9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.445 -4.080 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.549 -5.456 11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.023 -2.690 12.464 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.370 -3.581 13.045 1.00 0.00 H new ATOM 0 HE ARG A 51 1.153 -5.093 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.061 -2.930 14.812 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.469 -3.390 16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.909 -5.680 15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.205 -4.940 16.616 1.00 0.00 H new ATOM 785 N LEU A 52 1.457 -6.698 8.782 1.00 0.00 N ATOM 786 CA LEU A 52 1.068 -8.013 8.287 1.00 0.00 C ATOM 787 C LEU A 52 2.052 -9.083 8.751 1.00 0.00 C ATOM 788 O LEU A 52 1.653 -10.123 9.273 1.00 0.00 O ATOM 789 CB LEU A 52 0.991 -8.003 6.759 1.00 0.00 C ATOM 790 CG LEU A 52 0.167 -6.876 6.136 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.283 -6.905 4.620 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.290 -6.982 6.564 1.00 0.00 C ATOM 0 H LEU A 52 1.765 -6.049 8.058 1.00 0.00 H new ATOM 0 HA LEU A 52 0.084 -8.250 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.005 -7.945 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.575 -8.955 6.430 1.00 0.00 H new ATOM 0 HG LEU A 52 0.561 -5.924 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.310 -6.096 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.327 -6.780 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.085 -7.860 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.862 -6.172 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.696 -7.939 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.356 -6.911 7.650 1.00 0.00 H new ATOM 804 N MET A 53 3.340 -8.818 8.557 1.00 0.00 N ATOM 805 CA MET A 53 4.382 -9.756 8.959 1.00 0.00 C ATOM 806 C MET A 53 5.377 -9.091 9.905 1.00 0.00 C ATOM 807 O MET A 53 5.876 -7.995 9.649 1.00 0.00 O ATOM 808 CB MET A 53 5.113 -10.297 7.729 1.00 0.00 C ATOM 809 CG MET A 53 4.244 -11.171 6.840 1.00 0.00 C ATOM 810 SD MET A 53 5.209 -12.173 5.694 1.00 0.00 S ATOM 811 CE MET A 53 4.789 -13.823 6.250 1.00 0.00 C ATOM 0 H MET A 53 3.687 -7.962 8.124 1.00 0.00 H new ATOM 0 HA MET A 53 3.907 -10.585 9.484 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.490 -9.459 7.143 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.979 -10.873 8.055 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.635 -11.825 7.464 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.558 -10.540 6.275 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.310 -14.558 5.636 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.087 -13.943 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.713 -13.974 6.161 1.00 0.00 H new ATOM 821 N PRO A 54 5.672 -9.768 11.025 1.00 0.00 N ATOM 822 CA PRO A 54 6.610 -9.261 12.032 1.00 0.00 C ATOM 823 C PRO A 54 8.051 -9.262 11.534 1.00 0.00 C ATOM 824 O PRO A 54 8.683 -10.313 11.436 1.00 0.00 O ATOM 825 CB PRO A 54 6.445 -10.242 13.195 1.00 0.00 C ATOM 826 CG PRO A 54 5.961 -11.501 12.564 1.00 0.00 C ATOM 827 CD PRO A 54 5.114 -11.079 11.395 1.00 0.00 C ATOM 0 HA PRO A 54 6.402 -8.225 12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.389 -10.399 13.717 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.732 -9.868 13.930 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.797 -12.120 12.237 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.382 -12.095 13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.181 -11.791 10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.061 -11.005 11.667 1.00 0.00 H new ATOM 835 N GLY A 55 8.565 -8.077 11.220 1.00 0.00 N ATOM 836 CA GLY A 55 9.929 -7.964 10.737 1.00 0.00 C ATOM 837 C GLY A 55 10.009 -7.958 9.223 1.00 0.00 C ATOM 838 O GLY A 55 10.710 -8.777 8.628 1.00 0.00 O ATOM 0 H GLY A 55 8.061 -7.193 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.374 -7.048 11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.519 -8.794 11.126 1.00 0.00 H new ATOM 842 N SER A 56 9.287 -7.034 8.598 1.00 0.00 N ATOM 843 CA SER A 56 9.275 -6.928 7.143 1.00 0.00 C ATOM 844 C SER A 56 10.316 -5.922 6.663 1.00 0.00 C ATOM 845 O SER A 56 11.213 -6.261 5.890 1.00 0.00 O ATOM 846 CB SER A 56 7.886 -6.515 6.653 1.00 0.00 C ATOM 847 OG SER A 56 6.920 -7.505 6.961 1.00 0.00 O ATOM 0 H SER A 56 8.703 -6.348 9.076 1.00 0.00 H new ATOM 0 HA SER A 56 9.523 -7.906 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.601 -5.569 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.911 -6.350 5.576 1.00 0.00 H new ATOM 0 HG SER A 56 6.050 -7.079 7.108 1.00 0.00 H new ATOM 853 N VAL A 57 10.190 -4.683 7.126 1.00 0.00 N ATOM 854 CA VAL A 57 11.121 -3.626 6.746 1.00 0.00 C ATOM 855 C VAL A 57 12.012 -3.230 7.918 1.00 0.00 C ATOM 856 O VAL A 57 11.523 -2.892 8.995 1.00 0.00 O ATOM 857 CB VAL A 57 10.375 -2.378 6.238 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.356 -1.254 5.940 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.548 -2.716 5.006 1.00 0.00 C ATOM 0 H VAL A 57 9.453 -4.386 7.765 1.00 0.00 H new ATOM 0 HA VAL A 57 11.740 -4.023 5.942 1.00 0.00 H new ATOM 0 HB VAL A 57 9.697 -2.038 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.811 -0.381 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.900 -0.995 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.061 -1.580 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.028 -1.823 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.204 -3.082 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.819 -3.486 5.257 1.00 0.00 H new ATOM 869 N GLU A 58 13.322 -3.275 7.699 1.00 0.00 N ATOM 870 CA GLU A 58 14.282 -2.921 8.738 1.00 0.00 C ATOM 871 C GLU A 58 14.143 -1.452 9.130 1.00 0.00 C ATOM 872 O GLU A 58 13.731 -1.131 10.244 1.00 0.00 O ATOM 873 CB GLU A 58 15.709 -3.200 8.262 1.00 0.00 C ATOM 874 CG GLU A 58 15.913 -4.615 7.747 1.00 0.00 C ATOM 875 CD GLU A 58 17.378 -4.977 7.602 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.198 -4.461 8.389 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.704 -5.778 6.701 1.00 0.00 O ATOM 0 H GLU A 58 13.743 -3.553 6.812 1.00 0.00 H new ATOM 0 HA GLU A 58 14.073 -3.535 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.964 -2.494 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.400 -3.019 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.435 -5.318 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.419 -4.721 6.781 1.00 0.00 H new ATOM 884 N LYS A 59 14.491 -0.564 8.205 1.00 0.00 N ATOM 885 CA LYS A 59 14.405 0.871 8.450 1.00 0.00 C ATOM 886 C LYS A 59 13.950 1.611 7.197 1.00 0.00 C ATOM 887 O LYS A 59 14.658 1.642 6.190 1.00 0.00 O ATOM 888 CB LYS A 59 15.760 1.412 8.911 1.00 0.00 C ATOM 889 CG LYS A 59 16.178 0.917 10.285 1.00 0.00 C ATOM 890 CD LYS A 59 16.994 -0.362 10.193 1.00 0.00 C ATOM 891 CE LYS A 59 17.529 -0.780 11.554 1.00 0.00 C ATOM 892 NZ LYS A 59 18.729 0.011 11.945 1.00 0.00 N ATOM 0 H LYS A 59 14.836 -0.813 7.278 1.00 0.00 H new ATOM 0 HA LYS A 59 13.668 1.037 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.521 1.128 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.722 2.501 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.763 1.687 10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.292 0.741 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.376 -1.161 9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.825 -0.216 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.750 -0.653 12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.783 -1.840 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.063 -0.304 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.482 -0.130 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.481 1.020 11.989 1.00 0.00 H new ATOM 906 N PHE A 60 12.764 2.208 7.266 1.00 0.00 N ATOM 907 CA PHE A 60 12.215 2.949 6.136 1.00 0.00 C ATOM 908 C PHE A 60 12.142 4.441 6.448 1.00 0.00 C ATOM 909 O PHE A 60 12.346 4.858 7.589 1.00 0.00 O ATOM 910 CB PHE A 60 10.823 2.422 5.782 1.00 0.00 C ATOM 911 CG PHE A 60 9.863 2.439 6.937 1.00 0.00 C ATOM 912 CD1 PHE A 60 10.025 1.567 8.001 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.801 3.328 6.959 1.00 0.00 C ATOM 914 CE1 PHE A 60 9.143 1.580 9.065 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.916 3.346 8.021 1.00 0.00 C ATOM 916 CZ PHE A 60 8.088 2.471 9.076 1.00 0.00 C ATOM 0 H PHE A 60 12.165 2.193 8.092 1.00 0.00 H new ATOM 0 HA PHE A 60 12.878 2.806 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.412 3.022 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.914 1.401 5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.849 0.869 7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.663 4.015 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.279 0.894 9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.091 4.043 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.399 2.484 9.908 1.00 0.00 H new ATOM 926 N CYS A 61 11.852 5.239 5.427 1.00 0.00 N ATOM 927 CA CYS A 61 11.753 6.685 5.591 1.00 0.00 C ATOM 928 C CYS A 61 10.313 7.104 5.866 1.00 0.00 C ATOM 929 O CYS A 61 9.465 7.076 4.972 1.00 0.00 O ATOM 930 CB CYS A 61 12.275 7.398 4.342 1.00 0.00 C ATOM 931 SG CYS A 61 12.990 9.027 4.666 1.00 0.00 S ATOM 0 H CYS A 61 11.681 4.910 4.477 1.00 0.00 H new ATOM 0 HA CYS A 61 12.365 6.971 6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.029 6.770 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.457 7.507 3.630 1.00 0.00 H new ATOM 0 HG CYS A 61 14.054 9.187 3.937 1.00 0.00 H new ATOM 937 N LEU A 62 10.041 7.492 7.107 1.00 0.00 N ATOM 938 CA LEU A 62 8.702 7.916 7.501 1.00 0.00 C ATOM 939 C LEU A 62 8.246 9.116 6.676 1.00 0.00 C ATOM 940 O LEU A 62 7.120 9.150 6.182 1.00 0.00 O ATOM 941 CB LEU A 62 8.674 8.265 8.990 1.00 0.00 C ATOM 942 CG LEU A 62 8.799 7.088 9.958 1.00 0.00 C ATOM 943 CD1 LEU A 62 9.040 7.586 11.375 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.553 6.216 9.901 1.00 0.00 C ATOM 0 H LEU A 62 10.730 7.522 7.858 1.00 0.00 H new ATOM 0 HA LEU A 62 8.016 7.090 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.484 8.965 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.741 8.787 9.203 1.00 0.00 H new ATOM 0 HG LEU A 62 9.655 6.484 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.126 6.735 12.050 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.961 8.167 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.205 8.213 11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.660 5.383 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.681 6.809 10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.425 5.830 8.890 1.00 0.00 H new ATOM 956 N ASP A 63 9.130 10.097 6.531 1.00 0.00 N ATOM 957 CA ASP A 63 8.820 11.298 5.764 1.00 0.00 C ATOM 958 C ASP A 63 9.895 11.565 4.715 1.00 0.00 C ATOM 959 O ASP A 63 10.872 12.273 4.959 1.00 0.00 O ATOM 960 CB ASP A 63 8.687 12.504 6.695 1.00 0.00 C ATOM 961 CG ASP A 63 9.957 12.774 7.477 1.00 0.00 C ATOM 962 OD1 ASP A 63 10.606 11.799 7.912 1.00 0.00 O ATOM 963 OD2 ASP A 63 10.304 13.961 7.653 1.00 0.00 O ATOM 0 H ASP A 63 10.067 10.084 6.934 1.00 0.00 H new ATOM 0 HA ASP A 63 7.871 11.138 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.431 13.386 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.865 12.334 7.390 1.00 0.00 H new ATOM 968 N PRO A 64 9.712 10.986 3.519 1.00 0.00 N ATOM 969 CA PRO A 64 10.657 11.146 2.409 1.00 0.00 C ATOM 970 C PRO A 64 10.642 12.559 1.836 1.00 0.00 C ATOM 971 O PRO A 64 9.776 12.904 1.034 1.00 0.00 O ATOM 972 CB PRO A 64 10.155 10.142 1.369 1.00 0.00 C ATOM 973 CG PRO A 64 8.705 9.979 1.668 1.00 0.00 C ATOM 974 CD PRO A 64 8.570 10.129 3.158 1.00 0.00 C ATOM 0 HA PRO A 64 11.687 10.977 2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.311 10.511 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.685 9.193 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.112 10.729 1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.346 9.003 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.620 10.589 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.615 9.165 3.665 1.00 0.00 H new ATOM 982 N GLN A 65 11.608 13.372 2.254 1.00 0.00 N ATOM 983 CA GLN A 65 11.705 14.748 1.781 1.00 0.00 C ATOM 984 C GLN A 65 12.048 14.790 0.295 1.00 0.00 C ATOM 985 O GLN A 65 11.588 15.669 -0.435 1.00 0.00 O ATOM 986 CB GLN A 65 12.761 15.511 2.582 1.00 0.00 C ATOM 987 CG GLN A 65 12.733 17.013 2.350 1.00 0.00 C ATOM 988 CD GLN A 65 11.591 17.695 3.078 1.00 0.00 C ATOM 989 OE1 GLN A 65 10.541 17.967 2.495 1.00 0.00 O ATOM 990 NE2 GLN A 65 11.791 17.975 4.361 1.00 0.00 N ATOM 0 H GLN A 65 12.333 13.102 2.918 1.00 0.00 H new ATOM 0 HA GLN A 65 10.735 15.225 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.613 15.313 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.748 15.130 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.678 17.445 2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.647 17.210 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.677 17.732 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.059 18.433 4.903 1.00 0.00 H new ATOM 999 N THR A 66 12.859 13.834 -0.147 1.00 0.00 N ATOM 1000 CA THR A 66 13.265 13.763 -1.545 1.00 0.00 C ATOM 1001 C THR A 66 12.909 12.411 -2.153 1.00 0.00 C ATOM 1002 O THR A 66 12.530 11.482 -1.441 1.00 0.00 O ATOM 1003 CB THR A 66 14.779 14.002 -1.704 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.510 13.026 -0.953 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.158 15.399 -1.235 1.00 0.00 C ATOM 0 H THR A 66 13.248 13.098 0.443 1.00 0.00 H new ATOM 0 HA THR A 66 12.724 14.549 -2.071 1.00 0.00 H new ATOM 0 HB THR A 66 15.031 13.910 -2.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.471 13.183 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.231 15.545 -1.357 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.622 16.140 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.893 15.514 -0.184 1.00 0.00 H new ATOM 1013 N GLU A 67 13.035 12.309 -3.472 1.00 0.00 N ATOM 1014 CA GLU A 67 12.726 11.069 -4.175 1.00 0.00 C ATOM 1015 C GLU A 67 13.501 9.898 -3.577 1.00 0.00 C ATOM 1016 O GLU A 67 12.912 8.915 -3.128 1.00 0.00 O ATOM 1017 CB GLU A 67 13.053 11.205 -5.663 1.00 0.00 C ATOM 1018 CG GLU A 67 12.904 9.908 -6.440 1.00 0.00 C ATOM 1019 CD GLU A 67 13.376 10.030 -7.876 1.00 0.00 C ATOM 1020 OE1 GLU A 67 13.030 11.035 -8.530 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.092 9.120 -8.345 1.00 0.00 O ATOM 0 H GLU A 67 13.349 13.069 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 67 11.660 10.873 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.400 11.959 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.075 11.567 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.471 9.123 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.858 9.601 -6.430 1.00 0.00 H new ATOM 1028 N ALA A 68 14.825 10.010 -3.577 1.00 0.00 N ATOM 1029 CA ALA A 68 15.680 8.962 -3.034 1.00 0.00 C ATOM 1030 C ALA A 68 15.063 8.342 -1.785 1.00 0.00 C ATOM 1031 O ALA A 68 15.047 7.120 -1.631 1.00 0.00 O ATOM 1032 CB ALA A 68 17.062 9.518 -2.722 1.00 0.00 C ATOM 0 H ALA A 68 15.329 10.816 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 68 15.776 8.179 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.690 8.725 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.512 9.907 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.974 10.321 -1.990 1.00 0.00 H new ATOM 1038 N ASP A 69 14.557 9.190 -0.897 1.00 0.00 N ATOM 1039 CA ASP A 69 13.938 8.724 0.338 1.00 0.00 C ATOM 1040 C ASP A 69 12.635 7.986 0.049 1.00 0.00 C ATOM 1041 O ASP A 69 12.316 6.990 0.700 1.00 0.00 O ATOM 1042 CB ASP A 69 13.673 9.902 1.277 1.00 0.00 C ATOM 1043 CG ASP A 69 14.953 10.536 1.785 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.955 9.808 1.941 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.953 11.761 2.027 1.00 0.00 O ATOM 0 H ASP A 69 14.563 10.204 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 69 14.627 8.031 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.081 10.654 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.079 9.561 2.125 1.00 0.00 H new ATOM 1050 N CYS A 70 11.886 8.480 -0.930 1.00 0.00 N ATOM 1051 CA CYS A 70 10.616 7.869 -1.305 1.00 0.00 C ATOM 1052 C CYS A 70 10.833 6.472 -1.877 1.00 0.00 C ATOM 1053 O CYS A 70 10.324 5.486 -1.343 1.00 0.00 O ATOM 1054 CB CYS A 70 9.886 8.743 -2.326 1.00 0.00 C ATOM 1055 SG CYS A 70 8.179 8.239 -2.644 1.00 0.00 S ATOM 0 H CYS A 70 12.136 9.302 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 70 10.004 7.784 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.889 9.774 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.439 8.725 -3.265 1.00 0.00 H new ATOM 0 HG CYS A 70 7.885 7.211 -1.905 1.00 0.00 H new ATOM 1061 N ILE A 71 11.590 6.395 -2.966 1.00 0.00 N ATOM 1062 CA ILE A 71 11.874 5.118 -3.610 1.00 0.00 C ATOM 1063 C ILE A 71 12.212 4.046 -2.580 1.00 0.00 C ATOM 1064 O ILE A 71 11.585 2.989 -2.541 1.00 0.00 O ATOM 1065 CB ILE A 71 13.038 5.239 -4.611 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.703 6.265 -5.696 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.346 3.885 -5.232 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.461 5.923 -6.488 1.00 0.00 C ATOM 0 H ILE A 71 12.018 7.201 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 71 10.972 4.828 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 71 13.924 5.581 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.571 7.242 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.548 6.348 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.171 3.987 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.624 3.180 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.464 3.516 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.285 6.693 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.597 4.960 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.605 5.868 -5.816 1.00 0.00 H new ATOM 1080 N ASN A 72 13.208 4.328 -1.746 1.00 0.00 N ATOM 1081 CA ASN A 72 13.630 3.388 -0.714 1.00 0.00 C ATOM 1082 C ASN A 72 12.422 2.771 -0.014 1.00 0.00 C ATOM 1083 O ASN A 72 12.386 1.567 0.238 1.00 0.00 O ATOM 1084 CB ASN A 72 14.523 4.090 0.310 1.00 0.00 C ATOM 1085 CG ASN A 72 15.982 4.097 -0.104 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.461 3.163 -0.747 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.696 5.155 0.263 1.00 0.00 N ATOM 0 H ASN A 72 13.738 5.200 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 72 14.197 2.590 -1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.181 5.116 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.424 3.593 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.683 5.216 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.258 5.906 0.796 1.00 0.00 H new ATOM 1094 N ASN A 73 11.435 3.605 0.297 1.00 0.00 N ATOM 1095 CA ASN A 73 10.226 3.142 0.968 1.00 0.00 C ATOM 1096 C ASN A 73 9.502 2.098 0.124 1.00 0.00 C ATOM 1097 O ASN A 73 9.233 0.989 0.586 1.00 0.00 O ATOM 1098 CB ASN A 73 9.293 4.321 1.253 1.00 0.00 C ATOM 1099 CG ASN A 73 9.919 5.343 2.182 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.091 5.234 2.543 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.139 6.343 2.574 1.00 0.00 N ATOM 0 H ASN A 73 11.449 4.605 0.095 1.00 0.00 H new ATOM 0 HA ASN A 73 10.517 2.682 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.025 4.804 0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.368 3.950 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.505 7.061 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.173 6.394 2.250 1.00 0.00 H new ATOM 1108 N ILE A 74 9.189 2.460 -1.116 1.00 0.00 N ATOM 1109 CA ILE A 74 8.498 1.555 -2.025 1.00 0.00 C ATOM 1110 C ILE A 74 9.242 0.230 -2.153 1.00 0.00 C ATOM 1111 O ILE A 74 8.717 -0.825 -1.801 1.00 0.00 O ATOM 1112 CB ILE A 74 8.336 2.177 -3.424 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.559 3.492 -3.335 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.634 1.203 -4.359 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.733 4.380 -4.547 1.00 0.00 C ATOM 0 H ILE A 74 9.403 3.374 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 74 7.511 1.375 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 74 9.326 2.389 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.500 3.271 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.881 4.036 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.527 1.657 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.223 0.290 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.648 0.963 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.154 5.294 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.787 4.632 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.384 3.855 -5.436 1.00 0.00 H new ATOM 1127 N ASN A 75 10.470 0.294 -2.657 1.00 0.00 N ATOM 1128 CA ASN A 75 11.289 -0.901 -2.830 1.00 0.00 C ATOM 1129 C ASN A 75 11.244 -1.776 -1.581 1.00 0.00 C ATOM 1130 O ASN A 75 11.065 -2.991 -1.668 1.00 0.00 O ATOM 1131 CB ASN A 75 12.735 -0.513 -3.143 1.00 0.00 C ATOM 1132 CG ASN A 75 12.968 -0.302 -4.627 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.105 -1.260 -5.388 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.015 0.958 -5.045 1.00 0.00 N ATOM 0 H ASN A 75 10.920 1.160 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 75 10.884 -1.471 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.988 0.400 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.404 -1.293 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.170 1.162 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.896 1.721 -4.379 1.00 0.00 H new ATOM 1141 N ASP A 76 11.408 -1.150 -0.421 1.00 0.00 N ATOM 1142 CA ASP A 76 11.385 -1.871 0.847 1.00 0.00 C ATOM 1143 C ASP A 76 10.121 -2.716 0.969 1.00 0.00 C ATOM 1144 O ASP A 76 10.176 -3.881 1.364 1.00 0.00 O ATOM 1145 CB ASP A 76 11.473 -0.890 2.017 1.00 0.00 C ATOM 1146 CG ASP A 76 12.888 -0.404 2.260 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.818 -1.235 2.205 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.066 0.807 2.507 1.00 0.00 O ATOM 0 H ASP A 76 11.558 -0.145 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 76 12.248 -2.536 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.827 -0.035 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.097 -1.371 2.920 1.00 0.00 H new ATOM 1153 N PHE A 77 8.983 -2.121 0.628 1.00 0.00 N ATOM 1154 CA PHE A 77 7.704 -2.819 0.701 1.00 0.00 C ATOM 1155 C PHE A 77 7.744 -4.114 -0.105 1.00 0.00 C ATOM 1156 O PHE A 77 7.269 -5.156 0.349 1.00 0.00 O ATOM 1157 CB PHE A 77 6.579 -1.919 0.186 1.00 0.00 C ATOM 1158 CG PHE A 77 5.269 -2.635 0.015 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.649 -3.240 1.097 1.00 0.00 C ATOM 1160 CD2 PHE A 77 4.659 -2.704 -1.227 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.444 -3.900 0.944 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.454 -3.362 -1.386 1.00 0.00 C ATOM 1163 CZ PHE A 77 2.847 -3.962 -0.300 1.00 0.00 C ATOM 0 H PHE A 77 8.920 -1.158 0.299 1.00 0.00 H new ATOM 0 HA PHE A 77 7.513 -3.068 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.442 -1.089 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.877 -1.490 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.113 -3.195 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.130 -2.239 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.970 -4.366 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.987 -3.407 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.907 -4.479 -0.423 1.00 0.00 H new ATOM 1173 N LEU A 78 8.313 -4.041 -1.303 1.00 0.00 N ATOM 1174 CA LEU A 78 8.416 -5.207 -2.173 1.00 0.00 C ATOM 1175 C LEU A 78 9.246 -6.305 -1.517 1.00 0.00 C ATOM 1176 O LEU A 78 8.858 -7.474 -1.512 1.00 0.00 O ATOM 1177 CB LEU A 78 9.038 -4.814 -3.514 1.00 0.00 C ATOM 1178 CG LEU A 78 8.254 -3.798 -4.346 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.118 -3.248 -5.470 1.00 0.00 C ATOM 1180 CD2 LEU A 78 6.987 -4.430 -4.904 1.00 0.00 C ATOM 0 H LEU A 78 8.710 -3.187 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 78 7.410 -5.591 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.032 -4.409 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.169 -5.717 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 78 7.968 -2.970 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.543 -2.527 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.995 -2.757 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.436 -4.065 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.442 -3.693 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.251 -5.277 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.359 -4.774 -4.082 1.00 0.00 H new ATOM 1192 N LYS A 79 10.391 -5.922 -0.961 1.00 0.00 N ATOM 1193 CA LYS A 79 11.276 -6.873 -0.299 1.00 0.00 C ATOM 1194 C LYS A 79 10.476 -7.876 0.526 1.00 0.00 C ATOM 1195 O LYS A 79 10.766 -9.072 0.518 1.00 0.00 O ATOM 1196 CB LYS A 79 12.270 -6.134 0.601 1.00 0.00 C ATOM 1197 CG LYS A 79 13.198 -5.201 -0.157 1.00 0.00 C ATOM 1198 CD LYS A 79 14.371 -4.762 0.703 1.00 0.00 C ATOM 1199 CE LYS A 79 15.011 -3.491 0.167 1.00 0.00 C ATOM 1200 NZ LYS A 79 15.807 -3.748 -1.065 1.00 0.00 N ATOM 0 H LYS A 79 10.728 -4.959 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 79 11.825 -7.417 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.717 -5.559 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.868 -6.865 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.569 -5.702 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.642 -4.325 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.032 -4.596 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.115 -5.558 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.235 -2.757 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.656 -3.058 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.227 -2.857 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.564 -4.430 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.187 -4.137 -1.804 1.00 0.00 H new ATOM 1214 N GLY A 80 9.467 -7.382 1.237 1.00 0.00 N ATOM 1215 CA GLY A 80 8.641 -8.249 2.056 1.00 0.00 C ATOM 1216 C GLY A 80 7.518 -8.893 1.268 1.00 0.00 C ATOM 1217 O GLY A 80 7.163 -10.048 1.510 1.00 0.00 O ATOM 0 H GLY A 80 9.207 -6.396 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.263 -9.027 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.219 -7.672 2.879 1.00 0.00 H new ATOM 1221 N CYS A 81 6.956 -8.146 0.324 1.00 0.00 N ATOM 1222 CA CYS A 81 5.863 -8.650 -0.501 1.00 0.00 C ATOM 1223 C CYS A 81 6.259 -9.952 -1.190 1.00 0.00 C ATOM 1224 O CYS A 81 5.482 -10.905 -1.231 1.00 0.00 O ATOM 1225 CB CYS A 81 5.462 -7.608 -1.545 1.00 0.00 C ATOM 1226 SG CYS A 81 4.872 -6.049 -0.843 1.00 0.00 S ATOM 0 H CYS A 81 7.239 -7.189 0.111 1.00 0.00 H new ATOM 0 HA CYS A 81 5.011 -8.848 0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.319 -7.404 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.681 -8.027 -2.180 1.00 0.00 H new ATOM 0 HG CYS A 81 5.753 -5.589 -0.005 1.00 0.00 H new ATOM 1232 N ALA A 82 7.472 -9.983 -1.732 1.00 0.00 N ATOM 1233 CA ALA A 82 7.971 -11.168 -2.420 1.00 0.00 C ATOM 1234 C ALA A 82 7.656 -12.434 -1.631 1.00 0.00 C ATOM 1235 O ALA A 82 7.287 -13.460 -2.204 1.00 0.00 O ATOM 1236 CB ALA A 82 9.469 -11.049 -2.655 1.00 0.00 C ATOM 0 H ALA A 82 8.127 -9.202 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 82 7.467 -11.238 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.829 -11.940 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.673 -10.170 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.981 -10.951 -1.698 1.00 0.00 H new ATOM 1242 N THR A 83 7.803 -12.356 -0.312 1.00 0.00 N ATOM 1243 CA THR A 83 7.536 -13.497 0.555 1.00 0.00 C ATOM 1244 C THR A 83 6.172 -14.107 0.256 1.00 0.00 C ATOM 1245 O THR A 83 6.020 -15.329 0.227 1.00 0.00 O ATOM 1246 CB THR A 83 7.593 -13.097 2.042 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.892 -12.589 2.363 1.00 0.00 O ATOM 1248 CG2 THR A 83 7.273 -14.287 2.934 1.00 0.00 C ATOM 0 H THR A 83 8.105 -11.515 0.179 1.00 0.00 H new ATOM 0 HA THR A 83 8.312 -14.235 0.355 1.00 0.00 H new ATOM 0 HB THR A 83 6.847 -12.321 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.919 -12.335 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.319 -13.981 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.272 -14.653 2.707 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.999 -15.081 2.756 1.00 0.00 H new ATOM 1256 N LEU A 84 5.181 -13.250 0.034 1.00 0.00 N ATOM 1257 CA LEU A 84 3.828 -13.706 -0.263 1.00 0.00 C ATOM 1258 C LEU A 84 3.750 -14.301 -1.666 1.00 0.00 C ATOM 1259 O LEU A 84 2.833 -15.060 -1.978 1.00 0.00 O ATOM 1260 CB LEU A 84 2.838 -12.547 -0.133 1.00 0.00 C ATOM 1261 CG LEU A 84 2.805 -11.842 1.224 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.317 -10.410 1.070 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.923 -12.607 2.201 1.00 0.00 C ATOM 0 H LEU A 84 5.289 -12.236 0.054 1.00 0.00 H new ATOM 0 HA LEU A 84 3.566 -14.482 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.072 -11.807 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.838 -12.923 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 84 3.819 -11.817 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.300 -9.924 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.989 -9.866 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.312 -10.411 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.911 -12.091 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.908 -12.664 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.317 -13.614 2.335 1.00 0.00 H new ATOM 1275 N GLN A 85 4.719 -13.951 -2.506 1.00 0.00 N ATOM 1276 CA GLN A 85 4.760 -14.452 -3.875 1.00 0.00 C ATOM 1277 C GLN A 85 3.497 -14.061 -4.636 1.00 0.00 C ATOM 1278 O GLN A 85 2.894 -14.885 -5.323 1.00 0.00 O ATOM 1279 CB GLN A 85 4.922 -15.973 -3.879 1.00 0.00 C ATOM 1280 CG GLN A 85 6.189 -16.452 -3.191 1.00 0.00 C ATOM 1281 CD GLN A 85 6.323 -17.962 -3.199 1.00 0.00 C ATOM 1282 OE1 GLN A 85 6.958 -18.535 -4.084 1.00 0.00 O ATOM 1283 NE2 GLN A 85 5.724 -18.614 -2.210 1.00 0.00 N ATOM 0 H GLN A 85 5.485 -13.323 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 85 5.617 -14.001 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.059 -16.423 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.922 -16.327 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.055 -16.012 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.195 -16.096 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.208 -18.098 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.780 -19.631 -2.162 1.00 0.00 H new ATOM 1292 N VAL A 86 3.102 -12.798 -4.508 1.00 0.00 N ATOM 1293 CA VAL A 86 1.911 -12.297 -5.184 1.00 0.00 C ATOM 1294 C VAL A 86 2.276 -11.279 -6.258 1.00 0.00 C ATOM 1295 O VAL A 86 3.453 -11.036 -6.522 1.00 0.00 O ATOM 1296 CB VAL A 86 0.931 -11.648 -4.188 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.433 -12.675 -3.182 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.591 -10.474 -3.480 1.00 0.00 C ATOM 0 H VAL A 86 3.589 -12.103 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 86 1.427 -13.155 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 86 0.072 -11.272 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.258 -12.198 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.080 -13.481 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.279 -13.083 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.885 -10.027 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.469 -10.824 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.893 -9.729 -4.216 1.00 0.00 H new ATOM 1308 N GLU A 87 1.258 -10.685 -6.873 1.00 0.00 N ATOM 1309 CA GLU A 87 1.473 -9.692 -7.919 1.00 0.00 C ATOM 1310 C GLU A 87 2.304 -8.524 -7.398 1.00 0.00 C ATOM 1311 O GLU A 87 2.010 -7.961 -6.342 1.00 0.00 O ATOM 1312 CB GLU A 87 0.132 -9.181 -8.451 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.641 -10.218 -9.248 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.848 -9.630 -9.954 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.782 -9.180 -9.259 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -1.856 -9.620 -11.203 1.00 0.00 O ATOM 0 H GLU A 87 0.277 -10.874 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 87 2.020 -10.170 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.480 -8.850 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.309 -8.309 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.021 -10.672 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.968 -11.015 -8.580 1.00 0.00 H new ATOM 1323 N ILE A 88 3.343 -8.165 -8.144 1.00 0.00 N ATOM 1324 CA ILE A 88 4.217 -7.063 -7.758 1.00 0.00 C ATOM 1325 C ILE A 88 4.212 -5.962 -8.813 1.00 0.00 C ATOM 1326 O ILE A 88 3.501 -6.050 -9.814 1.00 0.00 O ATOM 1327 CB ILE A 88 5.664 -7.543 -7.539 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.153 -8.329 -8.757 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.755 -8.394 -6.281 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.651 -8.261 -8.958 1.00 0.00 C ATOM 0 H ILE A 88 3.601 -8.621 -9.019 1.00 0.00 H new ATOM 0 HA ILE A 88 3.829 -6.665 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 88 6.305 -6.671 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.856 -9.372 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.657 -7.947 -9.649 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.784 -8.726 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.442 -7.804 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.104 -9.263 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.927 -8.841 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.953 -7.223 -9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.155 -8.671 -8.082 1.00 0.00 H new ATOM 1342 N PHE A 89 5.012 -4.926 -8.583 1.00 0.00 N ATOM 1343 CA PHE A 89 5.101 -3.807 -9.513 1.00 0.00 C ATOM 1344 C PHE A 89 6.430 -3.074 -9.357 1.00 0.00 C ATOM 1345 O PHE A 89 7.215 -3.375 -8.457 1.00 0.00 O ATOM 1346 CB PHE A 89 3.940 -2.836 -9.289 1.00 0.00 C ATOM 1347 CG PHE A 89 3.818 -2.366 -7.868 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.566 -1.291 -7.413 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.957 -2.998 -6.986 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.456 -0.855 -6.106 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.842 -2.567 -5.678 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.594 -1.495 -5.237 1.00 0.00 C ATOM 0 H PHE A 89 5.608 -4.838 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 89 5.042 -4.204 -10.526 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.069 -1.971 -9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.009 -3.321 -9.584 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.243 -0.788 -8.088 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.368 -3.838 -7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.043 -0.015 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.165 -3.067 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.508 -1.158 -4.215 1.00 0.00 H new ATOM 1362 N ASP A 90 6.675 -2.112 -10.239 1.00 0.00 N ATOM 1363 CA ASP A 90 7.908 -1.334 -10.199 1.00 0.00 C ATOM 1364 C ASP A 90 7.704 -0.030 -9.435 1.00 0.00 C ATOM 1365 O ASP A 90 6.592 0.487 -9.327 1.00 0.00 O ATOM 1366 CB ASP A 90 8.395 -1.037 -11.619 1.00 0.00 C ATOM 1367 CG ASP A 90 9.040 -2.243 -12.274 1.00 0.00 C ATOM 1368 OD1 ASP A 90 10.221 -2.519 -11.976 1.00 0.00 O ATOM 1369 OD2 ASP A 90 8.363 -2.910 -13.083 1.00 0.00 O ATOM 0 H ASP A 90 6.036 -1.852 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 90 8.664 -1.924 -9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.553 -0.704 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.112 -0.216 -11.590 1.00 0.00 H new ATOM 1374 N PRO A 91 8.802 0.515 -8.890 1.00 0.00 N ATOM 1375 CA PRO A 91 8.769 1.766 -8.126 1.00 0.00 C ATOM 1376 C PRO A 91 8.486 2.977 -9.008 1.00 0.00 C ATOM 1377 O PRO A 91 8.256 4.079 -8.510 1.00 0.00 O ATOM 1378 CB PRO A 91 10.177 1.855 -7.531 1.00 0.00 C ATOM 1379 CG PRO A 91 11.031 1.063 -8.460 1.00 0.00 C ATOM 1380 CD PRO A 91 10.160 -0.047 -8.979 1.00 0.00 C ATOM 0 HA PRO A 91 7.975 1.767 -7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.515 2.889 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.207 1.447 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.399 1.684 -9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.904 0.665 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.418 -0.314 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.261 -0.951 -8.379 1.00 0.00 H new ATOM 1388 N ASP A 92 8.504 2.765 -10.319 1.00 0.00 N ATOM 1389 CA ASP A 92 8.248 3.840 -11.271 1.00 0.00 C ATOM 1390 C ASP A 92 6.755 3.963 -11.562 1.00 0.00 C ATOM 1391 O ASP A 92 6.226 5.068 -11.688 1.00 0.00 O ATOM 1392 CB ASP A 92 9.015 3.593 -12.570 1.00 0.00 C ATOM 1393 CG ASP A 92 8.477 2.406 -13.344 1.00 0.00 C ATOM 1394 OD1 ASP A 92 7.415 2.548 -13.987 1.00 0.00 O ATOM 1395 OD2 ASP A 92 9.118 1.335 -13.308 1.00 0.00 O ATOM 0 H ASP A 92 8.693 1.859 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 92 8.592 4.775 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.962 4.485 -13.195 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.068 3.427 -12.341 1.00 0.00 H new ATOM 1400 N ASP A 93 6.083 2.822 -11.669 1.00 0.00 N ATOM 1401 CA ASP A 93 4.651 2.802 -11.945 1.00 0.00 C ATOM 1402 C ASP A 93 3.876 3.532 -10.853 1.00 0.00 C ATOM 1403 O ASP A 93 2.873 4.193 -11.124 1.00 0.00 O ATOM 1404 CB ASP A 93 4.154 1.361 -12.065 1.00 0.00 C ATOM 1405 CG ASP A 93 4.676 0.669 -13.309 1.00 0.00 C ATOM 1406 OD1 ASP A 93 5.901 0.443 -13.391 1.00 0.00 O ATOM 1407 OD2 ASP A 93 3.860 0.355 -14.201 1.00 0.00 O ATOM 0 H ASP A 93 6.506 1.899 -11.569 1.00 0.00 H new ATOM 0 HA ASP A 93 4.481 3.317 -12.891 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.463 0.799 -11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.064 1.356 -12.080 1.00 0.00 H new ATOM 1412 N LEU A 94 4.346 3.407 -9.617 1.00 0.00 N ATOM 1413 CA LEU A 94 3.697 4.054 -8.482 1.00 0.00 C ATOM 1414 C LEU A 94 4.199 5.484 -8.310 1.00 0.00 C ATOM 1415 O LEU A 94 3.419 6.436 -8.352 1.00 0.00 O ATOM 1416 CB LEU A 94 3.949 3.256 -7.202 1.00 0.00 C ATOM 1417 CG LEU A 94 3.623 3.970 -5.890 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.133 4.260 -5.796 1.00 0.00 C ATOM 1419 CD2 LEU A 94 4.083 3.139 -4.701 1.00 0.00 C ATOM 0 H LEU A 94 5.174 2.863 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 94 2.625 4.086 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.362 2.339 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.999 2.963 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 94 4.159 4.919 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.920 4.768 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.833 4.896 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.577 3.323 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.843 3.663 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.576 2.174 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.160 2.984 -4.761 1.00 0.00 H new ATOM 1431 N TYR A 95 5.505 5.628 -8.118 1.00 0.00 N ATOM 1432 CA TYR A 95 6.112 6.942 -7.940 1.00 0.00 C ATOM 1433 C TYR A 95 5.649 7.907 -9.027 1.00 0.00 C ATOM 1434 O TYR A 95 5.092 8.966 -8.737 1.00 0.00 O ATOM 1435 CB TYR A 95 7.637 6.830 -7.957 1.00 0.00 C ATOM 1436 CG TYR A 95 8.344 8.146 -7.722 1.00 0.00 C ATOM 1437 CD1 TYR A 95 8.325 8.754 -6.473 1.00 0.00 C ATOM 1438 CD2 TYR A 95 9.031 8.780 -8.750 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.969 9.956 -6.255 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.679 9.982 -8.540 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.644 10.566 -7.291 1.00 0.00 C ATOM 1442 OH TYR A 95 10.288 11.764 -7.076 1.00 0.00 O ATOM 0 H TYR A 95 6.164 4.851 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 95 5.795 7.333 -6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.949 6.118 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.952 6.424 -8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.798 8.279 -5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.059 8.326 -9.729 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.944 10.416 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.210 10.462 -9.349 1.00 0.00 H new ATOM 0 HH TYR A 95 11.045 11.844 -7.694 1.00 0.00 H new ATOM 1452 N SER A 96 5.884 7.533 -10.281 1.00 0.00 N ATOM 1453 CA SER A 96 5.495 8.366 -11.413 1.00 0.00 C ATOM 1454 C SER A 96 3.997 8.257 -11.678 1.00 0.00 C ATOM 1455 O SER A 96 3.290 9.263 -11.731 1.00 0.00 O ATOM 1456 CB SER A 96 6.276 7.960 -12.664 1.00 0.00 C ATOM 1457 OG SER A 96 7.673 8.068 -12.451 1.00 0.00 O ATOM 0 H SER A 96 6.342 6.659 -10.539 1.00 0.00 H new ATOM 0 HA SER A 96 5.729 9.402 -11.167 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.025 6.935 -12.937 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.983 8.593 -13.501 1.00 0.00 H new ATOM 0 HG SER A 96 8.150 7.801 -13.265 1.00 0.00 H new ATOM 1463 N GLY A 97 3.519 7.027 -11.843 1.00 0.00 N ATOM 1464 CA GLY A 97 2.107 6.808 -12.100 1.00 0.00 C ATOM 1465 C GLY A 97 1.849 6.261 -13.490 1.00 0.00 C ATOM 1466 O GLY A 97 0.945 6.721 -14.188 1.00 0.00 O ATOM 0 H GLY A 97 4.084 6.179 -11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.710 6.113 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.568 7.748 -11.977 1.00 0.00 H new ATOM 1470 N VAL A 98 2.647 5.278 -13.895 1.00 0.00 N ATOM 1471 CA VAL A 98 2.501 4.668 -15.211 1.00 0.00 C ATOM 1472 C VAL A 98 1.375 3.640 -15.219 1.00 0.00 C ATOM 1473 O VAL A 98 0.538 3.629 -16.120 1.00 0.00 O ATOM 1474 CB VAL A 98 3.807 3.985 -15.661 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.628 3.338 -17.026 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.951 4.987 -15.683 1.00 0.00 C ATOM 0 H VAL A 98 3.401 4.887 -13.330 1.00 0.00 H new ATOM 0 HA VAL A 98 2.261 5.472 -15.907 1.00 0.00 H new ATOM 0 HB VAL A 98 4.053 3.202 -14.944 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.560 2.861 -17.327 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.838 2.589 -16.973 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.357 4.100 -17.757 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.866 4.488 -16.003 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.715 5.793 -16.378 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.093 5.399 -14.684 1.00 0.00 H new ATOM 1486 N ASN A 99 1.360 2.779 -14.207 1.00 0.00 N ATOM 1487 CA ASN A 99 0.336 1.746 -14.097 1.00 0.00 C ATOM 1488 C ASN A 99 -0.081 1.546 -12.643 1.00 0.00 C ATOM 1489 O ASN A 99 0.724 1.139 -11.806 1.00 0.00 O ATOM 1490 CB ASN A 99 0.848 0.427 -14.679 1.00 0.00 C ATOM 1491 CG ASN A 99 -0.280 -0.507 -15.074 1.00 0.00 C ATOM 1492 OD1 ASN A 99 -1.203 -0.748 -14.295 1.00 0.00 O ATOM 1493 ND2 ASN A 99 -0.211 -1.037 -16.289 1.00 0.00 N ATOM 0 H ASN A 99 2.045 2.776 -13.451 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.536 2.072 -14.665 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.467 0.634 -15.552 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.486 -0.067 -13.946 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.941 -1.672 -16.611 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.572 -0.809 -16.901 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.345 1.835 -12.351 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.870 1.688 -10.998 1.00 0.00 C ATOM 1502 C PHE A 100 -2.580 0.347 -10.834 1.00 0.00 C ATOM 1503 O PHE A 100 -2.422 -0.330 -9.818 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.833 2.831 -10.675 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.236 2.885 -9.229 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.279 2.990 -8.233 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.572 2.830 -8.866 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.647 3.039 -6.901 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.946 2.879 -7.536 1.00 0.00 C ATOM 1510 CZ PHE A 100 -3.982 2.984 -6.553 1.00 0.00 C ATOM 0 H PHE A 100 -2.025 2.172 -13.033 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.031 1.723 -10.303 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.366 3.777 -10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.727 2.727 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.233 3.034 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.330 2.748 -9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.891 3.120 -6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.991 2.835 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.272 3.023 -5.513 1.00 0.00 H new ATOM 1520 N SER A 101 -3.362 -0.029 -11.840 1.00 0.00 N ATOM 1521 CA SER A 101 -4.100 -1.286 -11.806 1.00 0.00 C ATOM 1522 C SER A 101 -3.294 -2.371 -11.098 1.00 0.00 C ATOM 1523 O SER A 101 -3.842 -3.180 -10.349 1.00 0.00 O ATOM 1524 CB SER A 101 -4.447 -1.737 -13.226 1.00 0.00 C ATOM 1525 OG SER A 101 -5.674 -1.172 -13.655 1.00 0.00 O ATOM 0 H SER A 101 -3.501 0.519 -12.689 1.00 0.00 H new ATOM 0 HA SER A 101 -5.022 -1.122 -11.249 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.650 -1.444 -13.909 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.512 -2.825 -13.260 1.00 0.00 H new ATOM 0 HG SER A 101 -5.873 -1.474 -14.566 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.988 -2.381 -11.341 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.103 -3.364 -10.728 1.00 0.00 C ATOM 1533 C LYS A 102 -0.972 -3.118 -9.228 1.00 0.00 C ATOM 1534 O LYS A 102 -1.295 -3.985 -8.416 1.00 0.00 O ATOM 1535 CB LYS A 102 0.279 -3.317 -11.385 1.00 0.00 C ATOM 1536 CG LYS A 102 0.272 -3.735 -12.845 1.00 0.00 C ATOM 1537 CD LYS A 102 1.675 -4.036 -13.346 1.00 0.00 C ATOM 1538 CE LYS A 102 2.075 -5.474 -13.051 1.00 0.00 C ATOM 1539 NZ LYS A 102 1.643 -6.403 -14.132 1.00 0.00 N ATOM 0 H LYS A 102 -1.519 -1.719 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.538 -4.352 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.675 -2.304 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.957 -3.967 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.356 -4.617 -12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.169 -2.942 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.726 -3.856 -14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.385 -3.356 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.157 -5.533 -12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.633 -5.787 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.934 -7.372 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.608 -6.366 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.085 -6.120 -15.030 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.498 -1.930 -8.867 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.328 -1.569 -7.465 1.00 0.00 C ATOM 1555 C VAL A 103 -1.571 -1.916 -6.653 1.00 0.00 C ATOM 1556 O VAL A 103 -1.474 -2.381 -5.517 1.00 0.00 O ATOM 1557 CB VAL A 103 -0.026 -0.067 -7.304 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.059 0.307 -5.832 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.259 0.299 -8.031 1.00 0.00 C ATOM 0 H VAL A 103 -0.225 -1.201 -9.526 1.00 0.00 H new ATOM 0 HA VAL A 103 0.519 -2.144 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.843 0.499 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.273 1.372 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.890 0.084 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.855 -0.266 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.457 1.364 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.088 -0.275 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.155 0.071 -9.092 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.739 -1.687 -7.243 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.003 -1.976 -6.575 1.00 0.00 C ATOM 1571 C LEU A 104 -4.177 -3.476 -6.364 1.00 0.00 C ATOM 1572 O LEU A 104 -4.377 -3.936 -5.240 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.173 -1.425 -7.393 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.548 -1.495 -6.729 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.579 -0.636 -5.474 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.633 -1.058 -7.703 1.00 0.00 C ATOM 0 H LEU A 104 -2.837 -1.302 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.989 -1.490 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.962 -0.384 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.219 -1.969 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.740 -2.529 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.566 -0.698 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.828 -0.994 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.366 0.400 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.605 -1.114 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.445 -0.032 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.627 -1.714 -8.573 1.00 0.00 H new ATOM 1588 N SER A 105 -4.098 -4.235 -7.453 1.00 0.00 N ATOM 1589 CA SER A 105 -4.248 -5.684 -7.388 1.00 0.00 C ATOM 1590 C SER A 105 -3.260 -6.288 -6.395 1.00 0.00 C ATOM 1591 O SER A 105 -3.611 -7.169 -5.609 1.00 0.00 O ATOM 1592 CB SER A 105 -4.041 -6.302 -8.772 1.00 0.00 C ATOM 1593 OG SER A 105 -2.708 -6.118 -9.218 1.00 0.00 O ATOM 0 H SER A 105 -3.931 -3.870 -8.391 1.00 0.00 H new ATOM 0 HA SER A 105 -5.259 -5.905 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.272 -7.367 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.732 -5.849 -9.483 1.00 0.00 H new ATOM 0 HG SER A 105 -2.410 -5.212 -8.994 1.00 0.00 H new ATOM 1599 N THR A 106 -2.021 -5.808 -6.437 1.00 0.00 N ATOM 1600 CA THR A 106 -0.980 -6.301 -5.543 1.00 0.00 C ATOM 1601 C THR A 106 -1.447 -6.281 -4.092 1.00 0.00 C ATOM 1602 O THR A 106 -1.359 -7.287 -3.387 1.00 0.00 O ATOM 1603 CB THR A 106 0.308 -5.466 -5.667 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.839 -5.578 -6.992 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.350 -5.924 -4.657 1.00 0.00 C ATOM 0 H THR A 106 -1.714 -5.079 -7.080 1.00 0.00 H new ATOM 0 HA THR A 106 -0.769 -7.328 -5.840 1.00 0.00 H new ATOM 0 HB THR A 106 0.060 -4.424 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.432 -6.356 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.251 -5.319 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.954 -5.809 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.593 -6.972 -4.835 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.944 -5.131 -3.651 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.427 -4.981 -2.282 1.00 0.00 C ATOM 1615 C LEU A 107 -3.627 -5.885 -2.026 1.00 0.00 C ATOM 1616 O LEU A 107 -3.746 -6.491 -0.959 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.805 -3.523 -2.011 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.645 -2.528 -1.960 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -2.168 -1.104 -1.846 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.716 -2.850 -0.799 1.00 0.00 C ATOM 0 H LEU A 107 -2.023 -4.289 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.624 -5.274 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.502 -3.199 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.339 -3.477 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.078 -2.613 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.328 -0.410 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.792 -0.875 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.759 -1.005 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.103 -2.132 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.271 -2.794 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.314 -3.856 -0.923 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.515 -5.975 -3.010 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.707 -6.809 -2.892 1.00 0.00 C ATOM 1634 C LEU A 108 -5.335 -8.241 -2.521 1.00 0.00 C ATOM 1635 O LEU A 108 -5.937 -8.838 -1.630 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.493 -6.797 -4.204 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.442 -5.615 -4.407 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.970 -5.594 -5.833 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.592 -5.677 -3.412 1.00 0.00 C ATOM 0 H LEU A 108 -4.433 -5.481 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.331 -6.399 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.782 -6.813 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.073 -7.718 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.886 -4.694 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.644 -4.746 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.136 -5.501 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.510 -6.519 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.257 -4.828 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.147 -6.604 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.197 -5.643 -2.397 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.338 -8.785 -3.211 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.882 -10.145 -2.951 1.00 0.00 C ATOM 1653 C ALA A 109 -3.341 -10.282 -1.533 1.00 0.00 C ATOM 1654 O ALA A 109 -3.732 -11.184 -0.792 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.822 -10.549 -3.965 1.00 0.00 C ATOM 0 H ALA A 109 -3.831 -8.305 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.737 -10.813 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.490 -11.567 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.242 -10.501 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.973 -9.869 -3.894 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.437 -9.380 -1.160 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.842 -9.400 0.171 1.00 0.00 C ATOM 1663 C VAL A 110 -2.915 -9.438 1.253 1.00 0.00 C ATOM 1664 O VAL A 110 -2.858 -10.257 2.169 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.941 -8.172 0.401 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.376 -8.181 1.813 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.178 -8.133 -0.629 1.00 0.00 C ATOM 0 H VAL A 110 -2.101 -8.627 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.236 -10.304 0.233 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.545 -7.272 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.258 -7.306 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.194 -8.158 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.214 -9.085 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.805 -7.259 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.782 -9.036 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.250 -8.075 -1.630 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.894 -8.546 1.140 1.00 0.00 N ATOM 1678 CA ASN A 111 -4.982 -8.478 2.109 1.00 0.00 C ATOM 1679 C ASN A 111 -5.673 -9.831 2.247 1.00 0.00 C ATOM 1680 O ASN A 111 -6.004 -10.261 3.352 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.999 -7.414 1.691 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.383 -7.687 2.247 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.335 -7.899 1.496 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.500 -7.683 3.570 1.00 0.00 N ATOM 0 H ASN A 111 -3.956 -7.860 0.387 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.558 -8.206 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.659 -6.436 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.049 -7.371 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.407 -7.861 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.683 -7.502 4.154 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.887 -10.498 1.118 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.536 -11.804 1.112 1.00 0.00 C ATOM 1693 C LYS A 112 -5.613 -12.874 1.685 1.00 0.00 C ATOM 1694 O LYS A 112 -6.051 -13.753 2.427 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.952 -12.182 -0.311 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.318 -11.651 -0.708 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.437 -12.448 -0.058 1.00 0.00 C ATOM 1698 CE LYS A 112 -10.797 -12.058 -0.617 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.988 -12.555 -2.008 1.00 0.00 N ATOM 0 H LYS A 112 -5.620 -10.156 0.195 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.425 -11.743 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.207 -11.803 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.953 -13.268 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.400 -10.603 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.424 -11.691 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.268 -13.513 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.424 -12.283 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.582 -12.460 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.898 -10.973 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.979 -12.419 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.367 -12.026 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.751 -13.567 -2.051 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.333 -12.792 1.337 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.347 -13.752 1.820 1.00 0.00 C ATOM 1715 C ALA A 113 -3.177 -13.650 3.332 1.00 0.00 C ATOM 1716 O ALA A 113 -2.959 -14.654 4.012 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.013 -13.535 1.121 1.00 0.00 C ATOM 0 H ALA A 113 -3.954 -12.071 0.723 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.707 -14.754 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.286 -14.258 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.140 -13.666 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.656 -12.525 1.324 1.00 0.00 H new ATOM 1723 N THR A 114 -3.278 -12.432 3.854 1.00 0.00 N ATOM 1724 CA THR A 114 -3.133 -12.199 5.285 1.00 0.00 C ATOM 1725 C THR A 114 -4.337 -12.734 6.053 1.00 0.00 C ATOM 1726 O THR A 114 -4.195 -13.267 7.153 1.00 0.00 O ATOM 1727 CB THR A 114 -2.965 -10.700 5.597 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.971 -9.942 4.915 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.586 -10.212 5.180 1.00 0.00 C ATOM 0 H THR A 114 -3.460 -11.591 3.306 1.00 0.00 H new ATOM 0 HA THR A 114 -2.236 -12.731 5.602 1.00 0.00 H new ATOM 0 HB THR A 114 -3.072 -10.561 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.628 -10.552 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.491 -9.151 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.823 -10.771 5.722 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.455 -10.364 4.109 1.00 0.00 H new